#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1y s ALA 2 N 0.00 3.53 -0.08 0.00 0.00 -1.26 -5.02 121.76 118.93 1x1y s ALA 2 Ca 0.00 1.11 -0.05 0.00 0.00 0.00 0.00 51.96 53.02 1x1y s ALA 2 Cb 0.00 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.67 1x1y s ALA 2 CO 0.00 -0.55 0.20 0.08 0.00 0.00 0.00 175.76 175.49 1x1y s VAL 3 N 0.24 -0.03 -0.21 0.00 1.01 -1.26 -4.70 120.40 115.45 1x1y s VAL 3 Ca 0.58 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.64 1x1y s VAL 3 Cb -0.36 -0.30 0.07 0.00 0.00 0.00 0.00 36.38 35.78 1x1y s VAL 3 CO 0.37 0.05 0.05 -0.63 0.00 0.00 0.00 175.10 174.94 1x1y s ILE 4 N 0.90 0.46 -0.00 2.22 -1.09 -1.26 -5.01 121.20 117.41 1x1y s ILE 4 Ca -0.07 -0.62 0.00 0.00 -2.23 0.00 0.00 60.65 57.74 1x1y s ILE 4 Cb -0.08 -1.05 0.01 0.00 -1.58 0.00 0.00 42.46 39.76 1x1y s ILE 4 CO -0.05 -0.30 0.88 -0.46 -1.23 0.00 0.00 174.94 173.78 1x1y n ASN 5 N 5.07 0.05 -4.93 3.58 6.94 -1.26 -4.78 115.26 119.92 1x1y n ASN 5 Ca -0.08 -1.77 -0.25 0.00 -0.02 0.00 0.00 54.58 52.46 1x1y n ASN 5 Cb 0.46 -0.15 -0.02 0.00 -2.36 0.00 0.00 39.78 37.71 1x1y n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1x1y s THR 6 N -0.06 5.12 0.17 5.53 -4.23 -1.26 -0.45 115.64 120.46 1x1y s THR 6 Ca 0.01 -0.39 -0.18 0.00 -1.18 0.00 0.00 61.69 59.94 1x1y s THR 6 Cb 0.00 -3.82 0.10 0.00 1.34 0.00 0.00 72.50 70.13 1x1y s THR 6 CO 0.00 -0.44 1.65 -0.26 -0.54 0.00 0.00 174.62 175.04 1x1y h PHE 7 N 1.16 -0.35 -0.15 3.99 0.04 -1.98 0.25 116.94 119.90 1x1y h PHE 7 Ca -0.49 0.04 -0.18 0.00 2.80 0.00 0.00 57.97 60.14 1x1y h PHE 7 Cb 1.21 0.22 -0.00 0.00 2.20 0.00 0.00 35.95 39.57 1x1y h PHE 7 CO 0.52 -0.23 -0.65 -0.44 -0.60 0.00 0.00 178.31 176.92 1x1y h ASP 8 N -0.07 0.66 -0.55 2.17 3.32 -1.98 -1.41 116.42 118.57 1x1y h ASP 8 Ca 0.20 -0.39 -0.10 0.00 0.02 0.00 0.00 57.03 56.75 1x1y h ASP 8 Cb 0.36 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1x1y h ASP 8 CO -0.45 1.14 -0.05 1.23 -1.72 0.00 0.00 179.24 179.39 1x1y h GLY 9 N 1.01 1.08 1.37 2.75 0.00 -1.85 -0.96 103.07 106.47 1x1y h GLY 9 Ca -0.01 -0.84 -0.23 0.00 0.00 0.00 0.00 47.33 46.25 1x1y h GLY 9 CO 0.12 0.77 -0.90 -2.08 0.00 0.00 0.00 176.54 174.45 1x1y h VAL 10 N 0.88 1.33 -0.36 4.60 2.07 -0.99 -2.37 116.25 121.41 1x1y h VAL 10 Ca 0.15 -2.23 0.01 0.00 0.82 0.00 0.00 66.70 65.45 1x1y h VAL 10 Cb 0.61 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 1x1y h VAL 10 CO 0.04 0.68 0.21 0.00 0.02 0.00 0.00 177.57 178.52 1x1y h ALA 11 N 0.63 0.45 0.08 1.67 0.00 -1.17 0.11 119.26 121.03 1x1y h ALA 11 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1x1y h ALA 11 Cb 1.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1x1y h ALA 11 CO 0.17 -0.13 -0.08 -0.44 0.00 0.00 0.00 179.25 178.76 1x1y h ASP 12 N 0.43 -0.22 -0.81 0.00 3.32 -1.18 -1.56 116.42 116.41 1x1y h ASP 12 Ca 0.14 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.22 1x1y h ASP 12 Cb -0.00 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 1x1y h ASP 12 CO -0.06 -0.13 0.54 0.22 -1.72 0.00 0.00 179.24 178.08 1x1y h TYR 13 N -0.18 1.02 -0.09 4.55 5.03 -1.11 -0.42 116.97 125.77 1x1y h TYR 13 Ca 0.01 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 1x1y h TYR 13 Cb 0.18 -0.34 -0.00 0.00 1.55 0.00 0.00 36.73 38.11 1x1y h TYR 13 CO -0.11 0.64 0.03 -0.07 -1.32 0.00 0.00 178.16 177.33 1x1y h LEU 14 N 1.09 0.12 -1.33 2.82 3.38 -0.60 0.88 115.31 121.67 1x1y h LEU 14 Ca 0.30 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1x1y h LEU 14 Cb -0.11 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1x1y h LEU 14 CO -0.07 0.24 -0.22 1.56 0.09 0.00 0.00 178.44 180.05 1x1y h GLN 15 N -0.02 0.00 0.00 1.13 4.20 -1.09 0.29 115.11 119.63 1x1y h GLN 15 Ca 0.03 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 1x1y h GLN 15 Cb 0.16 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1x1y h GLN 15 CO -0.00 0.22 -0.37 1.15 -0.67 0.00 0.00 178.83 179.15 1x1y h THR 16 N 0.00 1.17 -0.01 -0.54 2.02 -0.82 -3.40 112.91 111.32 1x1y h THR 16 Ca -0.00 -2.00 0.00 0.00 0.77 0.00 0.00 66.41 65.17 1x1y h THR 16 Cb 0.64 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1x1y h THR 16 CO 0.03 0.40 -0.69 -1.22 0.37 0.00 0.00 175.52 174.41 1x1y n TYR 17 N -4.59 0.00 -3.48 3.16 4.01 0.28 -5.00 117.16 111.55 1x1y n TYR 17 Ca -0.14 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.38 1x1y n TYR 17 Cb 0.45 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.55 1x1y n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1x1y n HIS 18 N -0.85 -2.59 -3.64 -0.72 8.25 0.10 -4.97 115.22 110.81 1x1y n HIS 18 Ca 0.06 0.91 -0.04 0.00 -0.26 0.00 0.00 57.72 58.39 1x1y n HIS 18 Cb 0.35 -4.62 -0.01 0.00 1.12 0.00 0.00 29.99 26.82 1x1y n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1x1y s LYS 19 N -6.17 0.81 0.49 -0.41 -2.85 -1.25 -5.06 119.74 105.29 1x1y s LYS 19 Ca 0.52 -0.40 -0.10 0.00 -1.00 0.00 0.00 55.97 54.99 1x1y s LYS 19 Cb -0.23 0.31 -0.05 0.00 -2.06 0.00 0.00 37.83 35.79 1x1y s LYS 19 CO 0.65 -0.37 0.87 -0.51 0.10 0.00 0.00 175.35 176.09 1x1y s LEU 20 N -2.73 3.62 0.98 2.77 1.43 -1.26 -3.83 118.68 119.66 1x1y s LEU 20 Ca 0.10 1.22 -0.11 0.00 -1.03 0.00 0.00 54.13 54.32 1x1y s LEU 20 Cb 0.00 -4.17 0.18 0.00 0.03 0.00 0.00 46.19 42.24 1x1y s LEU 20 CO -0.03 -0.58 1.11 -2.84 0.23 0.00 0.00 176.35 174.24 1x1y s PRO 21 N -4.39 0.50 0.00 1.29 0.02 -1.26 -4.87 135.00 126.29 1x1y s PRO 21 Ca 0.52 1.32 0.14 0.00 0.02 0.00 0.00 61.00 63.01 1x1y s PRO 21 Cb -0.10 -1.68 0.83 0.00 0.02 0.00 0.00 34.50 33.57 1x1y s PRO 21 CO 0.39 -2.91 1.29 -0.25 -0.33 0.00 0.00 177.00 175.19 1x1y n ASP 22 N -4.41 0.00 -1.35 2.53 8.00 -1.26 -2.80 116.55 117.26 1x1y n ASP 22 Ca 0.09 -0.38 0.06 0.00 0.71 0.00 0.00 54.79 55.27 1x1y n ASP 22 Cb 0.53 -0.04 0.27 0.00 -0.02 0.00 0.00 41.12 41.86 1x1y n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1x1y n ASN 23 N -1.04 3.94 -4.51 -2.24 6.94 -1.26 -4.90 115.26 112.19 1x1y n ASN 23 Ca 0.10 -2.49 -0.31 0.00 -0.02 0.00 0.00 54.58 51.86 1x1y n ASN 23 Cb 0.06 -0.56 -0.12 0.00 -2.36 0.00 0.00 39.78 36.80 1x1y n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1x1y s TYR 24 N -2.01 2.66 -0.02 -2.53 2.02 -1.12 -0.95 117.35 115.40 1x1y s TYR 24 Ca 0.37 -0.19 -0.09 0.00 -0.37 0.00 0.00 57.07 56.80 1x1y s TYR 24 Cb 0.26 -1.48 0.01 0.00 -0.40 0.00 0.00 41.96 40.35 1x1y s TYR 24 CO 0.14 0.32 0.19 0.96 -1.57 0.00 0.00 175.55 175.59 1x1y s ILE 25 N -1.00 0.05 0.75 2.71 -4.36 -0.56 -4.91 121.20 113.87 1x1y s ILE 25 Ca 0.17 -0.45 -0.11 0.00 -0.26 0.00 0.00 60.65 59.99 1x1y s ILE 25 Cb -0.11 -0.42 0.04 0.00 1.25 0.00 0.00 42.46 43.22 1x1y s ILE 25 CO 0.08 -0.25 1.09 0.42 0.24 0.00 0.00 174.94 176.51 1x1y s THR 26 N -0.94 3.45 0.26 8.37 -4.23 -1.16 -1.12 115.64 120.27 1x1y s THR 26 Ca -0.10 0.47 -0.02 0.00 -1.18 0.00 0.00 61.69 60.86 1x1y s THR 26 Cb -0.05 -3.28 0.25 0.00 1.34 0.00 0.00 72.50 70.75 1x1y s THR 26 CO 0.02 -0.61 1.83 0.11 -0.54 0.00 0.00 174.62 175.42 1x1y h LYS 27 N -0.88 0.89 -0.68 3.99 1.57 -1.97 -0.24 116.57 119.25 1x1y h LYS 27 Ca -0.46 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.22 1x1y h LYS 27 Cb 1.25 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 1x1y h LYS 27 CO 0.60 0.59 0.23 1.03 -0.57 0.00 0.00 179.45 181.33 1x1y h SER 28 N 0.91 0.95 0.30 0.86 0.87 -1.99 0.12 113.55 115.58 1x1y h SER 28 Ca 0.44 -0.16 -0.18 0.00 -1.23 0.00 0.00 61.79 60.67 1x1y h SER 28 Cb 0.39 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1x1y h SER 28 CO -0.25 0.87 -0.72 -0.33 -0.53 0.00 0.00 176.83 175.88 1x1y h GLU 29 N 1.00 0.36 -0.12 2.24 5.08 -1.64 -2.52 114.58 118.98 1x1y h GLU 29 Ca 0.23 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1x1y h GLU 29 Cb 0.25 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1x1y h GLU 29 CO -0.01 0.93 -0.08 0.00 -1.00 0.00 0.00 179.01 178.85 1x1y h ALA 30 N 0.99 0.17 -0.79 3.43 0.00 -0.76 -2.71 119.26 119.58 1x1y h ALA 30 Ca -0.03 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.68 1x1y h ALA 30 Cb 1.28 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1x1y h ALA 30 CO 0.12 -0.02 0.47 1.96 0.00 0.00 0.00 179.25 181.78 1x1y h GLN 31 N -0.10 0.82 -0.47 0.00 4.20 -0.99 0.23 115.11 118.80 1x1y h GLN 31 Ca 0.02 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.72 1x1y h GLN 31 Cb 0.56 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 1x1y h GLN 31 CO 0.02 0.54 0.31 0.00 -0.67 0.00 0.00 178.83 179.04 1x1y h ALA 32 N 1.40 1.80 0.00 3.87 0.00 -1.37 0.99 119.26 125.94 1x1y h ALA 32 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1x1y h ALA 32 Cb 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1x1y h ALA 32 CO -0.19 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.48 1x1y n LEU 33 N -4.48 0.01 0.00 0.00 4.77 -0.08 -4.86 117.00 112.36 1x1y n LEU 33 Ca 0.05 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1x1y n LEU 33 Cb 0.15 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1x1y n LEU 33 CO 0.35 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1x1y n GLY 34 N 1.13 1.29 3.73 -0.72 0.00 0.34 -4.85 105.19 106.12 1x1y n GLY 34 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1x1y n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1x1y s TRP 35 N -2.00 3.17 -0.26 1.61 -0.00 -0.34 -4.96 118.94 116.16 1x1y s TRP 35 Ca 0.00 1.02 -0.01 0.00 -0.00 0.00 0.00 56.10 57.10 1x1y s TRP 35 Cb 0.00 -3.72 0.08 0.00 -0.00 0.00 0.00 33.47 29.83 1x1y s TRP 35 CO 0.00 -2.42 0.06 0.08 -0.00 0.00 0.00 176.95 174.67 1x1y s VAL 36 N 0.51 0.79 0.21 5.86 1.01 -1.26 -4.38 120.40 123.15 1x1y s VAL 36 Ca 0.61 -1.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.37 1x1y s VAL 36 Cb -0.39 -1.44 0.23 0.00 0.00 0.00 0.00 36.38 34.78 1x1y s VAL 36 CO 0.36 -0.45 1.59 0.00 0.00 0.00 0.00 175.10 176.60 1x1y h ALA 37 N 8.14 0.25 0.00 5.51 0.00 -1.99 0.12 119.26 131.29 1x1y h ALA 37 Ca -0.15 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1x1y h ALA 37 Cb 1.06 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1x1y h ALA 37 CO 0.42 -0.54 0.07 0.66 0.00 0.00 0.00 179.25 179.86 1x1y h SER 38 N -0.07 0.00 0.70 0.00 4.64 -2.03 0.13 113.55 116.92 1x1y h SER 38 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1x1y h SER 38 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1x1y h SER 38 CO -0.75 0.00 -0.88 0.29 -0.87 0.00 0.00 176.83 174.62 1x1y n LYS 39 N -2.89 0.36 -3.64 4.77 5.02 0.39 -4.96 118.16 117.20 1x1y n LYS 39 Ca -0.03 0.05 -0.25 0.00 -2.02 0.00 0.00 58.31 56.07 1x1y n LYS 39 Cb 0.12 -1.67 0.07 0.00 -0.02 0.00 0.00 35.03 33.54 1x1y n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x1y n GLY 40 N 1.32 -0.54 1.67 0.72 0.00 0.45 -4.92 105.19 103.89 1x1y n GLY 40 Ca 0.02 0.25 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 1x1y n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x1y n ASN 41 N -3.00 3.54 -0.23 1.61 6.94 -1.26 -4.07 115.26 118.80 1x1y n ASN 41 Ca 0.01 -3.53 -0.03 0.00 -0.02 0.00 0.00 54.58 51.01 1x1y n ASN 41 Cb 0.56 -0.72 0.08 0.00 -2.36 0.00 0.00 39.78 37.34 1x1y n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1x1y h LEU 42 N 1.43 0.60 -2.10 -4.53 5.85 -1.89 -0.84 115.31 113.83 1x1y h LEU 42 Ca 0.35 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.08 1x1y h LEU 42 Cb 2.19 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 43.11 1x1y h LEU 42 CO 0.69 0.40 0.00 0.00 -0.34 0.00 0.00 178.44 179.19 1x1y h ALA 43 N 1.31 1.00 0.21 1.25 0.00 -1.83 0.11 119.26 121.31 1x1y h ALA 43 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.85 1x1y h ALA 43 Cb 0.10 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.91 1x1y h ALA 43 CO -0.14 0.00 -1.53 -0.44 0.00 0.00 0.00 179.25 177.14 1x1y h ASP 44 N 0.00 0.71 0.60 0.00 3.32 -1.51 -3.15 116.42 116.38 1x1y h ASP 44 Ca 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 57.03 56.22 1x1y h ASP 44 Cb 0.19 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1x1y h ASP 44 CO 0.00 1.67 -0.94 1.33 -1.72 0.00 0.00 179.24 179.58 1x1y n VAL 45 N -3.64 0.26 -2.93 -1.35 0.24 -0.99 -4.63 118.33 105.28 1x1y n VAL 45 Ca -0.18 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.34 61.70 1x1y n VAL 45 Cb 1.09 0.05 -0.00 0.00 -1.47 0.00 0.00 33.84 33.50 1x1y n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x1y n ALA 46 N -1.87 -0.08 -1.61 2.33 0.00 -0.01 -4.92 120.51 114.35 1x1y n ALA 46 Ca 0.02 -2.02 -0.45 0.00 0.00 0.00 0.00 53.44 50.99 1x1y n ALA 46 Cb 0.45 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 1x1y n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1x1y n PRO 47 N 1.93 1.50 -0.80 0.00 -0.02 -1.19 -1.52 135.00 134.91 1x1y n PRO 47 Ca 0.16 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1x1y n PRO 47 Cb 0.58 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1x1y n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x1y n GLY 48 N 1.40 0.42 3.94 -1.23 0.00 -1.26 -4.99 105.19 103.48 1x1y n GLY 48 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1x1y n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x1y s LYS 49 N -0.64 3.47 0.11 1.61 -0.14 -0.57 -4.82 119.74 118.75 1x1y s LYS 49 Ca 0.00 -0.52 0.05 0.00 -1.36 0.00 0.00 55.97 54.13 1x1y s LYS 49 Cb 0.00 -2.87 -0.04 0.00 -1.68 0.00 0.00 37.83 33.24 1x1y s LYS 49 CO 0.00 0.41 -0.12 -1.12 -0.76 0.00 0.00 175.35 173.77 1x1y s SER 50 N -3.49 1.71 0.17 2.83 0.01 -0.13 -4.86 113.70 109.94 1x1y s SER 50 Ca 0.36 -0.82 -0.30 0.00 1.31 0.00 0.00 55.95 56.50 1x1y s SER 50 Cb -0.10 -0.03 -0.07 0.00 0.21 0.00 0.00 66.02 66.02 1x1y s SER 50 CO 0.30 -0.21 1.13 -0.63 0.41 0.00 0.00 173.24 174.23 1x1y s ILE 51 N -2.34 3.82 -0.25 1.44 -1.09 -1.26 -1.50 121.20 120.02 1x1y s ILE 51 Ca 0.07 1.54 -0.33 0.00 -2.23 0.00 0.00 60.65 59.70 1x1y s ILE 51 Cb -0.04 -3.98 0.16 0.00 -1.58 0.00 0.00 42.46 37.03 1x1y s ILE 51 CO 0.01 0.25 1.29 -0.83 -1.23 0.00 0.00 174.94 174.43 1x1y s GLY 52 N 0.04 -0.11 0.00 6.18 0.00 -0.28 -0.15 107.32 112.99 1x1y s GLY 52 Ca 0.51 2.21 0.00 0.00 0.00 0.00 0.00 44.72 47.44 1x1y s GLY 52 CO 0.35 0.83 0.00 0.61 0.00 0.00 0.00 173.10 174.89 1x1y n GLY 53 N 0.25 1.54 3.79 0.20 0.00 0.25 -2.96 105.19 108.25 1x1y n GLY 53 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1x1y n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x1y s ASP 54 N -1.68 5.84 0.31 1.61 1.01 -1.22 -4.71 116.67 117.82 1x1y s ASP 54 Ca 0.00 1.96 -0.29 0.00 0.71 0.00 0.00 52.55 54.93 1x1y s ASP 54 Cb 0.00 -2.56 -0.11 0.00 1.01 0.00 0.00 42.92 41.26 1x1y s ASP 54 CO 0.00 -1.13 1.54 -0.63 0.21 0.00 0.00 175.17 175.16 1x1y s ILE 55 N -2.13 2.17 -0.27 0.77 -1.09 -1.26 -1.31 121.20 118.08 1x1y s ILE 55 Ca 0.67 0.15 -0.03 0.00 -2.23 0.00 0.00 60.65 59.21 1x1y s ILE 55 Cb -0.19 -3.10 0.02 0.00 -1.58 0.00 0.00 42.46 37.62 1x1y s ILE 55 CO 0.30 0.03 -0.01 0.12 -1.23 0.00 0.00 174.94 174.15 1x1y s PHE 56 N -0.29 3.11 0.35 3.97 5.36 0.76 -4.77 117.98 126.46 1x1y s PHE 56 Ca 0.60 -1.39 0.04 0.00 -0.96 0.00 0.00 56.93 55.23 1x1y s PHE 56 Cb -0.46 -2.13 0.63 0.00 -0.34 0.00 0.00 43.02 40.72 1x1y s PHE 56 CO 0.51 -0.68 1.91 0.77 -1.46 0.00 0.00 175.22 176.26 1x1y h SER 57 N 8.09 0.51 -4.65 6.13 0.02 -1.94 -3.34 113.55 118.36 1x1y h SER 57 Ca -0.31 -0.08 -0.41 0.00 -0.84 0.00 0.00 61.79 60.15 1x1y h SER 57 Cb 1.11 -0.13 0.05 0.00 0.14 0.00 0.00 62.40 63.57 1x1y h SER 57 CO 0.58 0.54 -0.61 -3.20 -1.14 0.00 0.00 176.83 173.00 1x1y n ASN 58 N -4.32 -5.95 -0.29 3.07 5.15 -1.26 -4.87 115.26 106.79 1x1y n ASN 58 Ca 0.02 -0.31 0.13 0.00 -0.60 0.00 0.00 54.58 53.82 1x1y n ASN 58 Cb 0.21 -4.81 0.38 0.00 -0.53 0.00 0.00 39.78 35.04 1x1y n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1x1y h ARG 59 N -1.44 0.65 -0.00 1.20 3.08 -2.00 -1.60 114.38 114.28 1x1y h ARG 59 Ca -0.53 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.48 1x1y h ARG 59 Cb 1.36 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1x1y h ARG 59 CO 0.57 0.43 -0.12 0.39 -1.07 0.00 0.00 179.97 180.17 1x1y n GLU 60 N -4.60 0.74 -2.23 0.04 1.02 -1.26 -4.95 120.64 109.39 1x1y n GLU 60 Ca 0.19 -0.28 -0.14 0.00 -0.02 0.00 0.00 57.16 56.91 1x1y n GLU 60 Cb 0.54 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.46 1x1y n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x1y n GLY 61 N 1.28 -0.14 0.16 0.62 0.00 -0.60 -4.89 105.19 101.61 1x1y n GLY 61 Ca 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 1x1y n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x1y h LYS 62 N 0.00 0.07 -6.04 1.61 1.79 -1.93 -3.44 116.57 108.64 1x1y h LYS 62 Ca -0.34 -0.04 -0.62 0.00 -2.18 0.00 0.00 60.65 57.47 1x1y h LYS 62 Cb 1.24 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.84 1x1y h LYS 62 CO 0.41 0.61 -0.54 -0.51 -1.08 0.00 0.00 179.45 178.34 1x1y s LEU 63 N -7.82 4.12 0.09 2.94 1.43 -1.26 -4.98 118.68 113.20 1x1y s LEU 63 Ca -0.02 0.14 -0.31 0.00 -1.03 0.00 0.00 54.13 52.90 1x1y s LEU 63 Cb 0.13 -2.75 -0.10 0.00 0.03 0.00 0.00 46.19 43.51 1x1y s LEU 63 CO 0.76 0.16 1.81 -2.16 0.23 0.00 0.00 176.35 177.16 1x1y s PRO 64 N -2.55 4.15 0.26 1.29 0.04 -1.26 -4.99 135.00 131.94 1x1y s PRO 64 Ca 0.33 2.53 0.04 0.00 0.04 0.00 0.00 61.00 63.94 1x1y s PRO 64 Cb -0.12 -3.71 -0.03 0.00 0.04 0.00 0.00 34.50 30.68 1x1y s PRO 64 CO 0.26 -0.84 0.40 0.20 0.04 0.00 0.00 177.00 177.06 1x1y s GLY 65 N 2.98 1.27 -0.25 0.56 0.00 -1.26 -5.09 107.32 105.52 1x1y s GLY 65 Ca 0.81 -1.14 -0.26 0.00 0.00 0.00 0.00 44.72 44.13 1x1y s GLY 65 CO 0.36 -1.13 1.01 1.25 0.00 0.00 0.00 173.10 174.59 1x1y s LYS 66 N -4.03 0.54 0.00 2.90 2.20 -1.26 -5.07 119.74 115.03 1x1y s LYS 66 Ca 0.36 0.51 -0.36 0.00 -0.36 0.00 0.00 55.97 56.11 1x1y s LYS 66 Cb -0.09 0.26 -0.15 0.00 -1.51 0.00 0.00 37.83 36.34 1x1y s LYS 66 CO 0.31 -0.09 1.57 0.45 -0.36 0.00 0.00 175.35 177.22 1x1y n SER 67 N 1.91 2.44 0.00 1.43 2.88 -1.26 -0.62 113.62 120.40 1x1y n SER 67 Ca -0.12 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1x1y n SER 67 Cb 0.56 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 1x1y n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1y n GLY 68 N 3.38 2.22 3.68 0.46 0.00 -1.26 -5.02 105.19 108.65 1x1y n GLY 68 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1x1y n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x1y s ARG 69 N -0.30 4.29 0.15 1.61 3.52 0.21 -4.96 118.95 123.47 1x1y s ARG 69 Ca 0.00 0.72 0.10 0.00 -0.13 0.00 0.00 55.73 56.42 1x1y s ARG 69 Cb 0.00 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.81 1x1y s ARG 69 CO 0.00 -0.15 -0.20 0.95 -0.81 0.00 0.00 175.30 175.09 1x1y s THR 70 N 1.58 2.65 0.18 4.11 -4.23 -1.26 -4.69 115.64 113.97 1x1y s THR 70 Ca 0.32 -1.74 0.10 0.00 -1.18 0.00 0.00 61.69 59.18 1x1y s THR 70 Cb -0.16 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 1x1y s THR 70 CO 0.12 -0.01 -0.14 0.26 -0.54 0.00 0.00 174.62 174.31 1x1y s TRP 71 N -1.39 2.53 0.11 3.99 0.52 -1.25 -0.25 118.94 123.19 1x1y s TRP 71 Ca 0.19 -0.26 -0.00 0.00 0.02 0.00 0.00 56.10 56.05 1x1y s TRP 71 Cb -0.09 -1.25 -0.04 0.00 -1.15 0.00 0.00 33.47 30.94 1x1y s TRP 71 CO 0.10 0.50 0.01 1.03 0.02 0.00 0.00 176.95 178.62 1x1y s ARG 72 N -2.73 0.84 0.16 4.98 0.52 -0.02 -0.17 118.95 122.53 1x1y s ARG 72 Ca 0.23 -1.37 0.02 0.00 -0.52 0.00 0.00 55.73 54.09 1x1y s ARG 72 Cb -0.09 0.14 -0.05 0.00 0.52 0.00 0.00 34.95 35.48 1x1y s ARG 72 CO 0.13 -0.18 -0.01 -1.83 0.02 0.00 0.00 175.30 173.43 1x1y s GLU 73 N -3.98 1.08 -0.12 3.54 -1.05 -0.43 -1.42 118.70 116.33 1x1y s GLU 73 Ca 0.18 -1.51 -0.20 0.00 -0.15 0.00 0.00 54.97 53.29 1x1y s GLU 73 Cb 0.07 -0.27 0.05 0.00 -0.44 0.00 0.00 34.13 33.54 1x1y s GLU 73 CO -0.02 -0.11 0.50 0.00 0.95 0.00 0.00 175.26 176.57 1x1y s ALA 74 N -3.65 -1.25 0.27 -0.84 0.00 -0.50 -0.58 121.76 115.20 1x1y s ALA 74 Ca 0.23 1.14 -0.29 0.00 0.00 0.00 0.00 51.96 53.03 1x1y s ALA 74 Cb 0.06 -0.43 -0.09 0.00 0.00 0.00 0.00 23.12 22.65 1x1y s ALA 74 CO 0.03 -0.27 1.17 -0.51 0.00 0.00 0.00 175.76 176.18 1x1y s ASP 75 N -0.44 7.11 0.05 0.00 1.11 0.78 -0.54 116.67 124.73 1x1y s ASP 75 Ca -0.06 2.35 0.09 0.00 0.18 0.00 0.00 52.55 55.12 1x1y s ASP 75 Cb -0.03 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.30 1x1y s ASP 75 CO 0.04 -0.29 -0.26 -0.63 1.18 0.00 0.00 175.17 175.20 1x1y s ILE 76 N -0.86 2.13 -1.66 0.77 -1.09 -0.85 -4.71 121.20 114.94 1x1y s ILE 76 Ca 0.48 -1.40 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 1x1y s ILE 76 Cb -0.34 -1.83 0.00 0.00 -1.58 0.00 0.00 42.46 38.72 1x1y s ILE 76 CO 0.42 0.36 0.00 0.59 -1.23 0.00 0.00 174.94 175.08 1x1y n ASN 77 N 1.75 -4.89 -4.81 3.58 3.02 0.40 -4.54 115.26 109.78 1x1y n ASN 77 Ca -0.17 0.38 -0.38 0.00 -0.03 0.00 0.00 54.58 54.38 1x1y n ASN 77 Cb 0.52 -3.78 -0.06 0.00 -0.61 0.00 0.00 39.78 35.85 1x1y n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1x1y s TYR 78 N -2.59 3.74 0.05 3.10 5.04 -1.26 -4.96 117.35 120.47 1x1y s TYR 78 Ca 0.00 1.13 0.00 0.00 -2.44 0.00 0.00 57.07 55.76 1x1y s TYR 78 Cb 0.00 -2.43 0.00 0.00 0.35 0.00 0.00 41.96 39.88 1x1y s TYR 78 CO 0.00 0.56 0.00 2.41 -1.34 0.00 0.00 175.55 177.18 1x1y n THR 79 N 2.00 0.27 -3.72 4.34 -1.04 -1.26 -4.90 114.28 109.97 1x1y n THR 79 Ca -0.11 0.09 -0.07 0.00 -2.04 0.00 0.00 64.05 61.92 1x1y n THR 79 Cb 0.51 -1.21 -0.02 0.00 -1.82 0.00 0.00 70.33 67.80 1x1y n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1x1y s SER 80 N -5.22 -0.29 0.00 8.00 1.04 -1.26 -4.70 113.70 111.27 1x1y s SER 80 Ca 0.00 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1x1y s SER 80 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1x1y s SER 80 CO 0.00 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.76 1x1y n GLY 81 N -0.43 -0.87 3.79 7.32 0.00 -1.26 -4.89 105.19 108.85 1x1y n GLY 81 Ca -0.07 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.18 1x1y n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x1y s PHE 82 N 0.00 2.86 0.54 1.61 0.08 -1.26 -4.56 117.98 117.25 1x1y s PHE 82 Ca 0.00 1.56 -0.20 0.00 0.12 0.00 0.00 56.93 58.41 1x1y s PHE 82 Cb 0.00 -3.17 -0.05 0.00 -0.57 0.00 0.00 43.02 39.23 1x1y s PHE 82 CO 0.00 -1.15 1.19 1.03 -0.10 0.00 0.00 175.22 176.18 1x1y s ARG 83 N -3.22 3.30 0.00 0.44 0.52 -1.26 -5.02 118.95 113.70 1x1y s ARG 83 Ca 0.69 1.78 0.00 0.00 -0.52 0.00 0.00 55.73 57.69 1x1y s ARG 83 Cb -0.20 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.17 1x1y s ARG 83 CO 0.23 -0.93 0.00 0.27 0.02 0.00 0.00 175.30 174.89 1x1y n ASN 84 N -1.17 0.00 -1.04 0.23 0.23 -1.26 -5.04 115.26 107.21 1x1y n ASN 84 Ca 0.11 -0.44 0.08 0.00 -0.53 0.00 0.00 54.58 53.80 1x1y n ASN 84 Cb 0.49 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.44 1x1y n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1x1y n SER 85 N -1.32 3.68 -4.75 0.53 3.41 -1.26 -4.97 113.62 108.94 1x1y n SER 85 Ca 0.00 -2.22 -0.36 0.00 -0.26 0.00 0.00 58.87 56.03 1x1y n SER 85 Cb 0.00 -0.40 -0.07 0.00 -0.26 0.00 0.00 64.21 63.47 1x1y n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1x1y s ASP 86 N -1.10 6.39 0.01 4.04 1.01 -1.26 -2.14 116.67 123.62 1x1y s ASP 86 Ca 0.38 0.45 -0.08 0.00 0.71 0.00 0.00 52.55 54.01 1x1y s ASP 86 Cb 0.22 -2.15 0.00 0.00 1.01 0.00 0.00 42.92 42.01 1x1y s ASP 86 CO 0.21 0.17 0.16 -0.13 0.21 0.00 0.00 175.17 175.79 1x1y s ARG 87 N 0.17 0.55 -0.04 8.23 1.81 -0.31 -2.00 118.95 127.36 1x1y s ARG 87 Ca 0.14 -0.47 0.03 0.00 -1.72 0.00 0.00 55.73 53.71 1x1y s ARG 87 Cb -0.13 0.23 -0.03 0.00 -0.45 0.00 0.00 34.95 34.57 1x1y s ARG 87 CO 0.03 -0.14 -0.10 -1.50 -0.68 0.00 0.00 175.30 172.91 1x1y s ILE 88 N -1.74 3.41 -0.11 1.52 2.07 0.29 -1.38 121.20 125.27 1x1y s ILE 88 Ca -0.12 -0.67 0.04 0.00 -1.41 0.00 0.00 60.65 58.49 1x1y s ILE 88 Cb -0.06 -2.40 0.00 0.00 0.13 0.00 0.00 42.46 40.14 1x1y s ILE 88 CO 0.00 0.54 -0.23 -0.76 -1.91 0.00 0.00 174.94 172.58 1x1y s LEU 89 N -0.95 2.14 -0.01 8.50 2.01 0.52 -1.42 118.68 129.48 1x1y s LEU 89 Ca 0.13 -0.55 0.02 0.00 0.01 0.00 0.00 54.13 53.74 1x1y s LEU 89 Cb -0.11 -1.43 -0.00 0.00 0.01 0.00 0.00 46.19 44.66 1x1y s LEU 89 CO 0.03 0.15 -0.05 -0.72 1.01 0.00 0.00 176.35 176.77 1x1y s TYR 90 N 0.40 0.49 0.48 0.29 1.13 -0.51 -0.89 117.35 118.74 1x1y s TYR 90 Ca -0.17 -0.09 0.03 0.00 -1.41 0.00 0.00 57.07 55.42 1x1y s TYR 90 Cb -0.18 -0.33 0.02 0.00 -1.10 0.00 0.00 41.96 40.37 1x1y s TYR 90 CO 0.07 -0.02 0.68 -1.54 -2.51 0.00 0.00 175.55 172.23 1x1y s SER 91 N -0.01 5.55 0.62 -0.18 1.04 -0.93 -0.84 113.70 118.95 1x1y s SER 91 Ca 0.01 -0.02 0.40 0.00 0.48 0.00 0.00 55.95 56.82 1x1y s SER 91 Cb -0.03 -1.04 1.97 0.00 0.10 0.00 0.00 66.02 67.01 1x1y s SER 91 CO -0.00 -0.90 2.20 0.77 0.98 0.00 0.00 173.24 176.30 1x1y h SER 92 N 0.33 0.00 -0.41 7.02 4.64 -0.99 -0.24 113.55 123.90 1x1y h SER 92 Ca -0.43 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.80 1x1y h SER 92 Cb 1.28 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.31 1x1y h SER 92 CO 0.52 0.00 0.05 -0.90 -0.87 0.00 0.00 176.83 175.64 1x1y n ASP 93 N -3.08 3.94 -2.34 4.97 5.75 -1.26 -4.99 116.55 119.53 1x1y n ASP 93 Ca -0.01 -3.22 -0.19 0.00 -0.01 0.00 0.00 54.79 51.36 1x1y n ASP 93 Cb 0.17 -0.62 0.01 0.00 -1.03 0.00 0.00 41.12 39.65 1x1y n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1x1y n TRP 94 N -0.49 -1.20 -2.57 2.11 7.02 -0.10 -5.02 117.44 117.18 1x1y n TRP 94 Ca 0.29 0.17 -0.35 0.00 -1.02 0.00 0.00 57.50 56.59 1x1y n TRP 94 Cb 1.06 -3.84 -0.04 0.00 -2.42 0.00 0.00 31.31 26.07 1x1y n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1x1y s LEU 95 N -5.61 3.94 -0.09 -0.99 1.43 -1.26 -4.81 118.68 111.29 1x1y s LEU 95 Ca 0.10 1.94 0.01 0.00 -1.03 0.00 0.00 54.13 55.14 1x1y s LEU 95 Cb -0.04 -4.46 0.02 0.00 0.03 0.00 0.00 46.19 41.74 1x1y s LEU 95 CO 0.12 -0.66 -0.08 -0.63 0.23 0.00 0.00 176.35 175.32 1x1y s ILE 96 N -1.91 0.98 0.29 -0.59 -1.09 -1.26 -2.18 121.20 115.44 1x1y s ILE 96 Ca 0.64 -0.31 0.05 0.00 -2.23 0.00 0.00 60.65 58.80 1x1y s ILE 96 Cb -0.17 -0.97 -0.06 0.00 -1.58 0.00 0.00 42.46 39.68 1x1y s ILE 96 CO 0.21 0.34 -0.01 -0.31 -1.23 0.00 0.00 174.94 173.95 1x1y s TYR 97 N 1.31 1.88 0.05 3.97 1.51 -0.07 -1.04 117.35 124.96 1x1y s TYR 97 Ca -0.03 -0.83 -0.02 0.00 -1.01 0.00 0.00 57.07 55.18 1x1y s TYR 97 Cb -0.14 -1.14 -0.04 0.00 -0.11 0.00 0.00 41.96 40.54 1x1y s TYR 97 CO -0.03 0.13 -0.00 -1.59 -1.11 0.00 0.00 175.55 172.94 1x1y s LYS 98 N -3.81 0.63 -0.03 -0.62 -2.85 0.03 -0.35 119.74 112.74 1x1y s LYS 98 Ca 0.32 -1.19 -0.03 0.00 -1.00 0.00 0.00 55.97 54.07 1x1y s LYS 98 Cb 0.06 0.22 0.01 0.00 -2.06 0.00 0.00 37.83 36.06 1x1y s LYS 98 CO 0.12 -0.13 0.09 -0.08 0.10 0.00 0.00 175.35 175.46 1x1y s THR 99 N -3.89 0.01 0.00 3.79 -1.32 -0.48 -0.89 115.64 112.86 1x1y s THR 99 Ca 0.07 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1x1y s THR 99 Cb 0.08 -0.17 0.00 0.00 -1.51 0.00 0.00 72.50 70.90 1x1y s THR 99 CO -0.10 -0.05 0.62 0.35 -2.21 0.00 0.00 174.62 173.23 1x1y n THR 100 N 2.86 0.35 -2.09 5.08 -2.24 -1.26 -1.16 114.28 115.82 1x1y n THR 100 Ca -0.14 -0.58 -0.13 0.00 -2.27 0.00 0.00 64.05 60.93 1x1y n THR 100 Cb 0.59 0.93 0.06 0.00 -2.10 0.00 0.00 70.33 69.81 1x1y n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1x1y n ASP 101 N -0.18 3.54 -3.59 3.42 5.68 -1.24 -4.61 116.55 119.59 1x1y n ASP 101 Ca 0.00 -3.42 -0.21 0.00 -0.50 0.00 0.00 54.79 50.66 1x1y n ASP 101 Cb 0.15 -0.40 0.05 0.00 -1.14 0.00 0.00 41.12 39.78 1x1y n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1x1y n HIS 102 N -0.71 -2.03 -1.13 2.11 -0.00 -0.91 -2.98 115.22 109.57 1x1y n HIS 102 Ca 0.31 0.82 -0.04 0.00 -0.00 0.00 0.00 57.72 58.81 1x1y n HIS 102 Cb 0.90 -4.38 -0.02 0.00 -0.00 0.00 0.00 29.99 26.48 1x1y n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1x1y n TYR 103 N -4.10 0.00 -0.02 1.57 4.01 -1.26 -4.90 117.16 112.46 1x1y n TYR 103 Ca -0.25 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.33 1x1y n TYR 103 Cb 0.66 -1.45 -0.10 0.00 -0.31 0.00 0.00 39.34 38.13 1x1y n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1x1y h GLN 104 N 0.29 0.33 -4.95 -0.72 4.20 -1.96 -3.46 115.11 108.85 1x1y h GLN 104 Ca -0.09 -0.32 -0.34 0.00 0.06 0.00 0.00 58.65 57.97 1x1y h GLN 104 Cb 0.60 0.08 -0.21 0.00 0.30 0.00 0.00 27.48 28.26 1x1y h GLN 104 CO 0.13 0.99 -0.75 0.95 -0.67 0.00 0.00 178.83 179.48 1x1y s THR 105 N -3.37 0.84 0.06 -0.54 -4.23 -1.26 -5.12 115.64 102.02 1x1y s THR 105 Ca -0.14 -1.29 0.06 0.00 -1.18 0.00 0.00 61.69 59.14 1x1y s THR 105 Cb 0.03 -0.95 -0.03 0.00 1.34 0.00 0.00 72.50 72.89 1x1y s THR 105 CO 0.79 -0.36 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.97 1x1y s PHE 106 N -1.57 1.51 -0.11 3.99 0.40 -1.26 -4.49 117.98 116.44 1x1y s PHE 106 Ca -0.04 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 55.93 1x1y s PHE 106 Cb -0.08 -0.86 0.01 0.00 0.51 0.00 0.00 43.02 42.59 1x1y s PHE 106 CO 0.01 0.10 -0.20 0.99 0.70 0.00 0.00 175.22 176.82 1x1y s THR 107 N -1.01 1.81 0.06 0.64 2.01 -0.07 -4.92 115.64 114.16 1x1y s THR 107 Ca 0.03 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.87 1x1y s THR 107 Cb -0.09 -1.60 -0.05 0.00 0.01 0.00 0.00 72.50 70.77 1x1y s THR 107 CO 0.02 0.50 1.14 -0.75 -0.69 0.00 0.00 174.62 174.85 1x1y s LYS 108 N 0.63 4.47 0.00 4.92 2.20 -1.26 -0.79 119.74 129.91 1x1y s LYS 108 Ca -0.13 1.69 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 1x1y s LYS 108 Cb -0.16 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1x1y s LYS 108 CO 0.03 -0.19 0.70 0.44 -0.36 0.00 0.00 175.35 175.98 1x1y n ILE 109 N 3.79 0.43 -1.15 5.43 -5.35 -0.21 -4.95 119.36 117.35 1x1y n ILE 109 Ca 0.08 -0.69 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 1x1y n ILE 109 Cb 0.47 0.81 0.00 0.00 -1.74 0.00 0.00 39.64 39.19 1x1y n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33