#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dui s GLY 4 N 0.00 -0.30 0.31 1.08 0.00 -1.26 -4.69 107.32 102.47 3dui s GLY 4 Ca 0.00 0.38 -0.28 0.00 0.00 0.00 0.00 44.72 44.81 3dui s GLY 4 CO 0.00 0.32 1.20 -1.05 0.00 0.00 0.00 173.10 173.58 3dui n PRO 5 N -0.50 1.85 -3.63 2.90 -0.02 -1.09 -4.75 135.00 129.76 3dui n PRO 5 Ca -0.07 0.65 -0.22 0.00 -2.02 0.00 0.00 63.50 61.85 3dui n PRO 5 Cb 0.62 -2.17 -0.17 0.00 -0.02 0.00 0.00 33.50 31.76 3dui n PRO 5 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dui s VAL 6 N -0.99 -0.15 -0.18 -1.45 1.01 -1.26 -1.55 120.40 115.83 3dui s VAL 6 Ca 0.58 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.69 3dui s VAL 6 Cb -0.62 -0.38 -0.00 0.00 0.00 0.00 0.00 36.38 35.37 3dui s VAL 6 CO 0.60 -0.03 -0.11 0.00 0.00 0.00 0.00 175.10 175.56 3dui s THR 8 N 1.06 3.87 -1.27 0.00 -4.23 -1.26 -1.72 115.64 112.08 3dui s THR 8 Ca -0.00 -1.66 -0.21 0.00 -1.18 0.00 0.00 61.69 58.64 3dui s THR 8 Cb -0.15 -3.07 0.02 0.00 1.34 0.00 0.00 72.50 70.65 3dui s THR 8 CO -0.02 -0.33 0.57 0.59 -0.54 0.00 0.00 174.62 174.89 3dui n ASN 9 N -0.91 -3.13 -0.18 3.99 4.13 -0.78 -4.87 115.26 113.50 3dui n ASN 9 Ca -0.07 -1.18 -0.06 0.00 1.68 0.00 0.00 54.58 54.95 3dui n ASN 9 Cb 0.58 -2.34 0.10 0.00 -1.54 0.00 0.00 39.78 36.58 3dui n ASN 9 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 3dui h LEU 10 N -2.19 0.93 -0.20 3.41 3.38 -1.32 -3.48 115.31 115.83 3dui h LEU 10 Ca -0.68 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.08 3dui h LEU 10 Cb 1.39 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3dui h LEU 10 CO 0.55 0.94 0.00 0.61 0.09 0.00 0.00 178.44 180.63 3dui n GLY 11 N -0.65 0.74 3.72 0.83 0.00 -1.26 -5.04 105.19 103.53 3dui n GLY 11 Ca 0.04 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 3dui n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dui s LEU 12 N -0.20 3.27 0.25 0.99 2.01 -1.25 -5.03 118.68 118.71 3dui s LEU 12 Ca 0.00 2.29 0.07 0.00 0.01 0.00 0.00 54.13 56.50 3dui s LEU 12 Cb 0.00 -4.58 -0.04 0.00 0.01 0.00 0.00 46.19 41.58 3dui s LEU 12 CO 0.00 -2.28 0.18 -0.54 1.01 0.00 0.00 176.35 174.72 3dui s LYS 13 N -4.03 2.87 0.31 1.70 1.02 -1.26 -4.84 119.74 115.51 3dui s LYS 13 Ca 0.73 -1.08 -0.29 0.00 0.02 0.00 0.00 55.97 55.34 3dui s LYS 13 Cb -0.27 -2.53 -0.12 0.00 -0.52 0.00 0.00 37.83 34.38 3dui s LYS 13 CO 0.46 0.40 1.38 -2.30 -0.92 0.00 0.00 175.35 174.37 3dui n PRO 14 N -1.15 2.22 0.00 -1.68 -0.02 -1.26 -1.48 135.00 131.63 3dui n PRO 14 Ca -0.08 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3dui n PRO 14 Cb 0.58 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3dui n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dui n GLY 15 N 1.28 1.95 3.76 -1.23 0.00 -1.26 -5.03 105.19 104.65 3dui n GLY 15 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3dui n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dui s GLN 16 N -0.48 4.56 -0.09 1.61 -0.21 -0.55 -5.00 119.66 119.50 3dui s GLN 16 Ca 0.00 1.16 -0.02 0.00 0.02 0.00 0.00 55.36 56.52 3dui s GLN 16 Cb 0.00 -3.31 -0.03 0.00 1.00 0.00 0.00 33.01 30.66 3dui s GLN 16 CO 0.00 0.43 0.02 1.03 -2.12 0.00 0.00 175.29 174.65 3dui s ARG 17 N -0.63 3.04 -0.35 2.91 1.81 0.44 -4.77 118.95 121.40 3dui s ARG 17 Ca 0.38 -0.38 -0.18 0.00 -1.72 0.00 0.00 55.73 53.83 3dui s ARG 17 Cb -0.22 -2.84 -0.00 0.00 -0.45 0.00 0.00 34.95 31.43 3dui s ARG 17 CO 0.26 0.71 0.50 -1.17 -0.68 0.00 0.00 175.30 174.91 3dui s LEU 18 N -0.88 4.36 -0.20 2.53 2.96 -0.08 -3.23 118.68 124.13 3dui s LEU 18 Ca 0.13 -0.04 -0.10 0.00 -0.22 0.00 0.00 54.13 53.91 3dui s LEU 18 Cb -0.11 -2.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.96 3dui s LEU 18 CO 0.02 -0.47 0.12 -0.89 -1.32 0.00 0.00 176.35 173.81 3dui s THR 19 N 2.37 5.32 -0.08 3.68 2.01 -0.22 0.26 115.64 128.98 3dui s THR 19 Ca 0.18 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.38 3dui s THR 19 Cb -0.16 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 68.93 3dui s THR 19 CO 0.13 0.45 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.60 3dui s VAL 20 N 0.33 1.87 0.07 3.82 1.01 0.15 -2.05 120.40 125.60 3dui s VAL 20 Ca 0.07 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.21 3dui s VAL 20 Cb -0.11 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 3dui s VAL 20 CO -0.02 0.52 -0.22 -0.54 0.00 0.00 0.00 175.10 174.85 3dui s LYS 21 N 0.29 1.36 -0.03 2.72 1.02 -0.46 -0.60 119.74 124.04 3dui s LYS 21 Ca -0.15 -1.05 -0.10 0.00 0.02 0.00 0.00 55.97 54.69 3dui s LYS 21 Cb -0.17 -1.54 0.03 0.00 -0.52 0.00 0.00 37.83 35.63 3dui s LYS 21 CO 0.07 0.38 0.46 0.41 -0.92 0.00 0.00 175.35 175.75 3dui n GLY 22 N 1.57 0.34 3.20 -3.33 0.00 -0.91 -0.58 105.19 105.48 3dui n GLY 22 Ca -0.18 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 3dui n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dui s ILE 23 N -2.03 1.64 0.06 -0.61 1.09 -0.57 -1.08 121.20 119.70 3dui s ILE 23 Ca 0.11 -0.86 -0.27 0.00 -1.10 0.00 0.00 60.65 58.53 3dui s ILE 23 Cb -0.00 -1.38 -0.05 0.00 -1.06 0.00 0.00 42.46 39.96 3dui s ILE 23 CO -0.01 0.46 0.85 -0.63 -0.10 0.00 0.00 174.94 175.52 3dui s ILE 24 N -0.25 4.67 0.76 2.92 1.01 0.14 -0.92 121.20 129.53 3dui s ILE 24 Ca 0.02 1.82 -0.15 0.00 0.00 0.00 0.00 60.65 62.34 3dui s ILE 24 Cb -0.10 -4.21 0.01 0.00 0.01 0.00 0.00 42.46 38.17 3dui s ILE 24 CO 0.01 0.32 0.80 0.00 0.00 0.00 0.00 174.94 176.08 3dui n ALA 25 N 2.94 -0.85 -0.15 9.38 0.00 -0.14 -0.83 120.51 130.85 3dui n ALA 25 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 53.44 53.14 3dui n ALA 25 Cb 0.50 -2.02 0.06 0.00 0.00 0.00 0.00 19.45 17.99 3dui n ALA 25 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3dui h PRO 26 N -0.52 0.31 -1.47 0.00 0.11 -1.90 0.87 132.00 129.39 3dui h PRO 26 Ca -0.46 -0.02 -0.62 0.00 0.11 0.00 0.00 66.00 65.01 3dui h PRO 26 Cb 1.33 -0.07 -0.39 0.00 0.11 0.00 0.00 31.00 31.98 3dui h PRO 26 CO 0.44 0.20 -0.33 -1.71 -0.21 0.00 0.00 178.00 176.40 3dui n ASN 27 N -5.03 5.42 -4.76 -2.05 5.15 -1.26 -4.19 115.26 108.54 3dui n ASN 27 Ca 0.05 -3.75 -0.41 0.00 -0.60 0.00 0.00 54.58 49.86 3dui n ASN 27 Cb 0.21 -0.58 -0.01 0.00 -0.53 0.00 0.00 39.78 38.86 3dui n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dui s ALA 28 N -3.67 3.72 -0.16 5.20 0.00 -1.13 -4.92 121.76 120.80 3dui s ALA 28 Ca 0.50 1.59 0.13 0.00 0.00 0.00 0.00 51.96 54.18 3dui s ALA 28 Cb 0.41 -3.65 -0.19 0.00 0.00 0.00 0.00 23.12 19.70 3dui s ALA 28 CO -0.19 -1.02 0.03 1.63 0.00 0.00 0.00 175.76 176.20 3dui n LYS 29 N 1.83 1.30 0.00 0.00 4.76 -1.26 -4.70 118.16 120.08 3dui n LYS 29 Ca 0.07 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 3dui n LYS 29 Cb 0.38 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 3dui n LYS 29 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3dui n SER 30 N -2.65 0.00 -3.62 4.39 3.41 -1.26 -0.44 113.62 113.44 3dui n SER 30 Ca -0.27 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.23 3dui n SER 30 Cb 1.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.91 3dui n SER 30 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3dui s PHE 31 N -2.00 -0.23 0.05 7.33 -0.71 -1.05 -0.97 117.98 120.41 3dui s PHE 31 Ca 0.00 -0.08 0.03 0.00 -1.04 0.00 0.00 56.93 55.84 3dui s PHE 31 Cb 0.00 0.29 -0.03 0.00 -1.21 0.00 0.00 43.02 42.07 3dui s PHE 31 CO 0.00 -0.73 -0.10 0.54 -1.34 0.00 0.00 175.22 173.59 3dui s VAL 32 N -3.80 0.76 -0.09 -2.49 0.11 -0.77 -2.57 120.40 111.54 3dui s VAL 32 Ca 0.03 -1.16 0.00 0.00 -2.93 0.00 0.00 61.98 57.92 3dui s VAL 32 Cb 0.01 -0.78 0.02 0.00 -1.53 0.00 0.00 36.38 34.10 3dui s VAL 32 CO -0.12 -0.32 -0.07 -0.04 -3.33 0.00 0.00 175.10 171.23 3dui s MET 33 N -1.63 1.38 -0.18 1.54 -1.94 -0.09 -2.71 119.30 115.67 3dui s MET 33 Ca -0.07 -0.22 -0.04 0.00 -1.71 0.00 0.00 55.69 53.65 3dui s MET 33 Cb -0.10 -1.41 -0.02 0.00 2.01 0.00 0.00 34.83 35.31 3dui s MET 33 CO 0.01 -0.20 -0.03 -0.80 -0.01 0.00 0.00 175.02 173.99 3dui s ASN 34 N 1.48 4.71 0.02 3.03 0.01 -0.40 -0.71 114.94 123.08 3dui s ASN 34 Ca -0.00 -0.20 0.08 0.00 -0.71 0.00 0.00 52.86 52.03 3dui s ASN 34 Cb -0.13 -1.79 -0.03 0.00 0.41 0.00 0.00 41.25 39.71 3dui s ASN 34 CO -0.05 0.10 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.65 3dui s LEU 35 N 0.77 2.28 0.00 0.60 2.01 0.98 -2.24 118.68 123.08 3dui s LEU 35 Ca -0.01 -0.48 0.00 0.00 0.01 0.00 0.00 54.13 53.65 3dui s LEU 35 Cb -0.14 -1.37 0.00 0.00 0.01 0.00 0.00 46.19 44.68 3dui s LEU 35 CO 0.02 0.28 0.00 0.61 1.01 0.00 0.00 176.35 178.27 3dui n GLY 36 N 1.97 -0.69 0.11 -3.19 0.00 -0.95 -0.06 105.19 102.38 3dui n GLY 36 Ca -0.17 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 3dui n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3dui n LYS 37 N 0.00 0.68 -3.79 1.61 3.00 -0.55 -0.37 118.16 118.74 3dui n LYS 37 Ca 0.00 0.06 -0.04 0.00 -0.00 0.00 0.00 58.31 58.32 3dui n LYS 37 Cb 0.00 -1.53 -0.01 0.00 0.00 0.00 0.00 35.03 33.49 3dui n LYS 37 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 3dui s ASP 38 N -5.86 -0.15 0.60 3.14 1.47 -1.24 -4.05 116.67 110.58 3dui s ASP 38 Ca -0.18 -0.51 0.29 0.00 1.18 0.00 0.00 52.55 53.33 3dui s ASP 38 Cb 0.07 0.54 1.49 0.00 -0.34 0.00 0.00 42.92 44.68 3dui s ASP 38 CO 0.76 -1.02 1.89 0.77 0.68 0.00 0.00 175.17 178.25 3dui h SER 39 N 2.00 0.00 -0.40 2.11 4.64 -1.97 -0.13 113.55 119.80 3dui h SER 39 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3dui h SER 39 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3dui h SER 39 CO 0.27 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.58 3dui n THR 40 N -3.57 2.26 -3.04 2.95 -2.24 -1.26 -4.67 114.28 104.71 3dui n THR 40 Ca 0.06 -1.60 -0.17 0.00 -2.27 0.00 0.00 64.05 60.08 3dui n THR 40 Cb 0.62 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 3dui n THR 40 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3dui n HIS 41 N 0.07 -1.94 -3.23 4.78 8.25 -0.06 -1.83 115.22 121.27 3dui n HIS 41 Ca 0.23 -2.61 -0.41 0.00 -0.26 0.00 0.00 57.72 54.67 3dui n HIS 41 Cb 0.94 0.64 -0.08 0.00 1.12 0.00 0.00 29.99 32.61 3dui n HIS 41 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3dui s LEU 42 N -0.37 4.19 0.03 2.41 1.43 0.70 -1.48 118.68 125.59 3dui s LEU 42 Ca 0.33 0.25 -0.18 0.00 -1.03 0.00 0.00 54.13 53.50 3dui s LEU 42 Cb 0.12 -2.64 -0.21 0.00 0.03 0.00 0.00 46.19 43.49 3dui s LEU 42 CO -0.16 -0.40 1.16 1.23 0.23 0.00 0.00 176.35 178.41 3dui h GLY 43 N 8.98 0.55 -6.32 -3.19 0.00 -0.76 -1.63 103.07 100.70 3dui h GLY 43 Ca -0.28 -0.89 -0.48 0.00 0.00 0.00 0.00 47.33 45.68 3dui h GLY 43 CO 0.75 0.79 -0.79 -2.27 0.00 0.00 0.00 176.54 175.02 3dui s LEU 44 N -8.39 1.29 -0.31 3.11 2.96 -0.65 -4.42 118.68 112.28 3dui s LEU 44 Ca -0.13 -0.22 -0.02 0.00 -0.22 0.00 0.00 54.13 53.54 3dui s LEU 44 Cb 0.05 -0.67 0.05 0.00 0.50 0.00 0.00 46.19 46.12 3dui s LEU 44 CO 0.84 -0.06 0.02 -2.28 -1.32 0.00 0.00 176.35 173.55 3dui s HIS 45 N 1.18 3.28 -0.39 5.38 5.65 0.13 -0.01 115.29 130.51 3dui s HIS 45 Ca -0.06 -1.84 -0.07 0.00 0.25 0.00 0.00 55.06 53.34 3dui s HIS 45 Cb -0.14 -2.18 0.07 0.00 -1.18 0.00 0.00 32.58 29.15 3dui s HIS 45 CO -0.02 -0.80 0.19 0.12 -0.65 0.00 0.00 174.74 173.59 3dui s PHE 46 N 1.27 3.34 -0.49 3.88 5.36 0.11 -1.41 117.98 130.04 3dui s PHE 46 Ca -0.04 -1.60 0.03 0.00 -0.96 0.00 0.00 56.93 54.36 3dui s PHE 46 Cb -0.20 -2.73 0.13 0.00 -0.34 0.00 0.00 43.02 39.88 3dui s PHE 46 CO -0.01 -0.82 0.24 1.21 -1.46 0.00 0.00 175.22 174.39 3dui s ASN 47 N 1.81 4.11 0.11 6.13 3.04 -0.32 -0.92 114.94 128.90 3dui s ASN 47 Ca 0.02 -2.85 -0.30 0.00 0.04 0.00 0.00 52.86 49.77 3dui s ASN 47 Cb -0.22 -1.43 -0.06 0.00 -1.54 0.00 0.00 41.25 38.00 3dui s ASN 47 CO 0.02 -0.25 1.14 -2.84 -3.04 0.00 0.00 177.10 172.12 3dui s PRO 48 N -0.03 4.51 -0.19 0.43 0.02 -1.06 -1.22 135.00 137.45 3dui s PRO 48 Ca 0.17 1.72 0.01 0.00 0.02 0.00 0.00 61.00 62.92 3dui s PRO 48 Cb -0.25 -3.32 0.03 0.00 0.02 0.00 0.00 34.50 30.98 3dui s PRO 48 CO -0.00 -0.09 -0.15 1.03 -0.33 0.00 0.00 177.00 177.46 3dui s ARG 49 N 0.39 2.49 0.07 5.54 0.52 -0.08 -2.52 118.95 125.36 3dui s ARG 49 Ca 0.54 -0.88 -0.12 0.00 -0.52 0.00 0.00 55.73 54.75 3dui s ARG 49 Cb -0.29 -2.51 -0.24 0.00 0.52 0.00 0.00 34.95 32.43 3dui s ARG 49 CO 0.32 -0.33 1.16 0.74 0.02 0.00 0.00 175.30 177.20 3dui h PHE 50 N 7.94 0.91 -0.65 -0.53 0.04 -1.04 -1.19 116.94 122.42 3dui h PHE 50 Ca -0.35 -0.55 0.12 0.00 2.80 0.00 0.00 57.97 59.99 3dui h PHE 50 Cb 1.11 -0.08 -0.20 0.00 2.20 0.00 0.00 35.95 38.98 3dui h PHE 50 CO 0.51 1.39 -0.20 0.34 -0.60 0.00 0.00 178.31 179.75 3dui s ASP 51 N -7.32 -1.06 -0.24 2.17 3.68 -0.54 -2.40 116.67 110.96 3dui s ASP 51 Ca -0.08 0.13 -0.27 0.00 2.13 0.00 0.00 52.55 54.47 3dui s ASP 51 Cb 0.07 1.68 0.13 0.00 -1.45 0.00 0.00 42.92 43.34 3dui s ASP 51 CO 0.92 -0.19 1.04 0.00 0.13 0.00 0.00 175.17 177.06 3dui s ALA 52 N 2.89 -1.97 -1.23 3.66 0.00 -0.74 -4.70 121.76 119.66 3dui s ALA 52 Ca 0.18 1.78 0.00 0.00 0.00 0.00 0.00 51.96 53.92 3dui s ALA 52 Cb -0.06 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.84 3dui s ALA 52 CO -0.24 -0.25 0.00 0.72 0.00 0.00 0.00 175.76 175.98 3dui n HIS 53 N 1.72 -1.27 -0.23 0.00 8.25 -1.26 -0.81 115.22 121.63 3dui n HIS 53 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 3dui n HIS 53 Cb 0.56 -3.00 0.00 0.00 1.12 0.00 0.00 29.99 28.68 3dui n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dui n GLY 54 N -0.81 1.54 3.88 -1.41 0.00 -1.26 -5.03 105.19 102.09 3dui n GLY 54 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 3dui n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dui s ASP 55 N -3.19 6.55 -0.06 1.61 1.01 0.01 -5.09 116.67 117.51 3dui s ASP 55 Ca 0.00 0.64 0.03 0.00 0.71 0.00 0.00 52.55 53.93 3dui s ASP 55 Cb 0.00 -2.12 0.01 0.00 1.01 0.00 0.00 42.92 41.82 3dui s ASP 55 CO 0.00 0.22 -0.15 -0.69 0.21 0.00 0.00 175.17 174.76 3dui s VAL 56 N -1.35 1.29 -0.91 -1.27 1.01 -1.26 -1.80 120.40 116.10 3dui s VAL 56 Ca 0.30 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.48 3dui s VAL 56 Cb -0.13 -1.14 0.03 0.00 0.00 0.00 0.00 36.38 35.13 3dui s VAL 56 CO 0.17 0.38 0.55 0.59 0.00 0.00 0.00 175.10 176.79 3dui n ASN 57 N 3.56 -3.60 -3.67 3.32 3.02 -0.49 -4.97 115.26 112.43 3dui n ASN 57 Ca -0.21 -1.01 -0.11 0.00 -0.03 0.00 0.00 54.58 53.22 3dui n ASN 57 Cb 0.52 -1.32 -0.05 0.00 -0.61 0.00 0.00 39.78 38.32 3dui n ASN 57 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 3dui s LEU 58 N -6.28 0.56 -0.15 3.41 0.05 -0.98 -4.60 118.68 110.70 3dui s LEU 58 Ca 0.28 -0.30 -0.05 0.00 0.05 0.00 0.00 54.13 54.11 3dui s LEU 58 Cb -0.16 1.69 -0.03 0.00 -2.05 0.00 0.00 46.19 45.63 3dui s LEU 58 CO 0.80 -0.79 0.01 -0.63 -0.55 0.00 0.00 176.35 175.19 3dui s ILE 59 N -3.51 4.34 -0.31 1.48 1.01 0.60 -0.91 121.20 123.89 3dui s ILE 59 Ca 0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.37 3dui s ILE 59 Cb 0.02 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.58 3dui s ILE 59 CO -0.10 0.50 0.13 -0.69 0.00 0.00 0.00 174.94 174.78 3dui s VAL 60 N 0.15 4.36 0.06 2.92 1.01 -0.36 -0.72 120.40 127.81 3dui s VAL 60 Ca 0.02 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.48 3dui s VAL 60 Cb -0.13 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3dui s VAL 60 CO 0.02 0.04 -0.05 0.00 0.00 0.00 0.00 175.10 175.11 3dui s ASN 62 N -1.92 -0.06 0.13 0.00 3.84 -0.50 -1.74 114.94 114.68 3dui s ASN 62 Ca 0.21 -0.76 0.08 0.00 0.21 0.00 0.00 52.86 52.61 3dui s ASN 62 Cb -0.11 0.63 -0.04 0.00 -0.55 0.00 0.00 41.25 41.18 3dui s ASN 62 CO 0.13 -1.22 -0.20 -0.94 -2.79 0.00 0.00 177.10 172.08 3dui s SER 63 N -3.16 2.60 -0.04 -4.21 1.04 -1.26 0.19 113.70 108.86 3dui s SER 63 Ca 0.17 -0.77 -0.00 0.00 0.48 0.00 0.00 55.95 55.83 3dui s SER 63 Cb -0.03 -0.15 0.03 0.00 0.10 0.00 0.00 66.02 65.97 3dui s SER 63 CO 0.07 0.01 0.01 -0.75 0.98 0.00 0.00 173.24 173.56 3dui s LYS 64 N -2.33 0.26 -0.06 4.02 2.20 -0.61 -0.06 119.74 123.16 3dui s LYS 64 Ca 0.11 0.14 0.03 0.00 -0.36 0.00 0.00 55.97 55.88 3dui s LYS 64 Cb -0.08 -0.55 0.01 0.00 -1.51 0.00 0.00 37.83 35.70 3dui s LYS 64 CO 0.05 -0.20 -0.13 0.21 -0.36 0.00 0.00 175.35 174.93 3dui s LYS 65 N 1.37 1.68 -1.24 4.03 2.20 -0.97 -0.22 119.74 126.59 3dui s LYS 65 Ca -0.05 -0.43 -0.23 0.00 -0.36 0.00 0.00 55.97 54.90 3dui s LYS 65 Cb -0.13 -1.40 0.03 0.00 -1.51 0.00 0.00 37.83 34.82 3dui s LYS 65 CO -0.03 0.06 0.44 0.00 -0.36 0.00 0.00 175.35 175.46 3dui n MET 66 N 3.70 -0.46 -0.93 4.03 0.00 -0.76 -0.18 117.12 122.52 3dui n MET 66 Ca -0.22 0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.51 3dui n MET 66 Cb 0.52 -2.57 0.00 0.00 0.00 0.00 0.00 33.22 31.17 3dui n MET 66 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 3dui n GLU 67 N -4.70 -1.38 -4.01 3.17 4.71 -1.26 -4.97 120.64 112.21 3dui n GLU 67 Ca -0.17 0.34 -0.34 0.00 -0.01 0.00 0.00 57.16 56.99 3dui n GLU 67 Cb 0.56 -4.56 -0.15 0.00 -1.01 0.00 0.00 31.44 26.28 3dui n GLU 67 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 3dui s GLU 68 N -1.51 3.06 0.66 3.49 -1.05 0.75 -5.10 118.70 119.00 3dui s GLU 68 Ca 0.00 -0.81 -0.17 0.00 -0.15 0.00 0.00 54.97 53.84 3dui s GLU 68 Cb 0.00 -2.83 0.00 0.00 -0.44 0.00 0.00 34.13 30.86 3dui s GLU 68 CO 0.00 -0.26 1.22 -1.58 0.95 0.00 0.00 175.26 175.58 3dui s TRP 69 N 1.36 2.20 0.00 4.83 0.52 -1.26 -2.29 118.94 124.30 3dui s TRP 69 Ca 0.04 1.55 0.00 0.00 0.02 0.00 0.00 56.10 57.70 3dui s TRP 69 Cb -0.15 -3.50 0.00 0.00 -1.15 0.00 0.00 33.47 28.68 3dui s TRP 69 CO -0.07 -2.48 0.00 0.41 0.02 0.00 0.00 176.95 174.83 3dui n GLY 70 N 0.47 1.09 3.64 0.98 0.00 0.91 -4.92 105.19 107.36 3dui n GLY 70 Ca 0.14 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 3dui n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dui s THR 71 N 1.43 4.98 0.57 2.61 2.01 -1.26 -4.84 115.64 121.14 3dui s THR 71 Ca 0.00 1.18 -0.20 0.00 0.31 0.00 0.00 61.69 62.97 3dui s THR 71 Cb 0.00 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 3dui s THR 71 CO 0.00 0.04 1.24 1.21 -0.69 0.00 0.00 174.62 176.42 3dui n GLU 72 N 5.54 1.38 -3.71 4.92 2.13 -1.26 -4.77 120.64 124.88 3dui n GLU 72 Ca -0.00 0.52 -0.16 0.00 0.66 0.00 0.00 57.16 58.17 3dui n GLU 72 Cb 0.49 -2.44 -0.16 0.00 0.27 0.00 0.00 31.44 29.60 3dui n GLU 72 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3dui s GLN 73 N -2.89 0.01 0.02 5.31 0.74 -0.71 -5.01 119.66 117.13 3dui s GLN 73 Ca 0.74 0.39 0.00 0.00 0.05 0.00 0.00 55.36 56.55 3dui s GLN 73 Cb -0.42 -0.30 -0.04 0.00 1.10 0.00 0.00 33.01 33.36 3dui s GLN 73 CO 0.47 -0.25 0.10 1.03 -0.55 0.00 0.00 175.29 176.10 3dui s ARG 74 N 1.71 3.08 -0.14 1.67 0.52 -1.26 -0.69 118.95 123.85 3dui s ARG 74 Ca -0.02 -0.51 -0.00 0.00 -0.52 0.00 0.00 55.73 54.67 3dui s ARG 74 Cb -0.12 -2.86 0.03 0.00 0.52 0.00 0.00 34.95 32.52 3dui s ARG 74 CO -0.05 0.63 -0.08 -2.00 0.02 0.00 0.00 175.30 173.83 3dui s GLU 75 N -1.95 1.60 0.00 3.54 2.56 0.10 -4.96 118.70 119.59 3dui s GLU 75 Ca 0.25 -0.42 0.27 0.00 0.00 0.00 0.00 54.97 55.07 3dui s GLU 75 Cb -0.12 -1.85 0.85 0.00 2.00 0.00 0.00 34.13 35.01 3dui s GLU 75 CO 0.17 -0.34 1.64 0.25 -0.56 0.00 0.00 175.26 176.42 3dui n THR 76 N 4.89 0.00 -2.55 -1.70 -2.24 -1.26 -0.29 114.28 111.12 3dui n THR 76 Ca -0.13 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 3dui n THR 76 Cb 0.49 0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.79 3dui n THR 76 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3dui s VAL 77 N -2.74 4.28 -0.56 2.28 1.01 -1.26 -4.82 120.40 118.58 3dui s VAL 77 Ca 0.19 1.42 0.04 0.00 0.00 0.00 0.00 61.98 63.64 3dui s VAL 77 Cb 0.19 -4.37 0.15 0.00 0.00 0.00 0.00 36.38 32.34 3dui s VAL 77 CO 0.57 -0.63 0.35 0.12 0.00 0.00 0.00 175.10 175.51 3dui s PHE 78 N 4.19 2.91 -2.00 5.22 5.36 -1.26 -4.73 117.98 127.66 3dui s PHE 78 Ca 0.50 -3.02 0.05 0.00 -0.96 0.00 0.00 56.93 53.51 3dui s PHE 78 Cb -0.12 -2.43 0.32 0.00 -0.34 0.00 0.00 43.02 40.45 3dui s PHE 78 CO 0.23 -0.68 1.10 -0.35 -1.46 0.00 0.00 175.22 174.06 3dui n PRO 79 N 2.74 0.89 -3.24 10.12 -0.04 -1.26 -4.88 135.00 139.33 3dui n PRO 79 Ca 0.13 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.21 3dui n PRO 79 Cb 0.35 -1.09 -0.06 0.00 -0.04 0.00 0.00 33.50 32.66 3dui n PRO 79 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3dui s PHE 80 N -2.00 3.76 0.01 0.54 0.08 -1.26 -5.08 117.98 114.03 3dui s PHE 80 Ca 0.08 1.25 0.08 0.00 0.12 0.00 0.00 56.93 58.46 3dui s PHE 80 Cb 0.04 -2.55 -0.02 0.00 -0.57 0.00 0.00 43.02 39.92 3dui s PHE 80 CO 0.06 0.49 -0.24 -0.65 -0.10 0.00 0.00 175.22 174.78 3dui s GLN 81 N -0.74 1.80 0.58 0.44 -0.21 -1.26 -5.12 119.66 115.15 3dui s GLN 81 Ca 0.30 -0.96 -0.19 0.00 0.02 0.00 0.00 55.36 54.53 3dui s GLN 81 Cb -0.19 -1.85 -0.04 0.00 1.00 0.00 0.00 33.01 31.93 3dui s GLN 81 CO 0.18 0.49 1.22 0.15 -2.12 0.00 0.00 175.29 175.21 3dui s LYS 82 N -0.90 3.03 0.00 2.91 1.02 -1.26 -2.76 119.74 121.78 3dui s LYS 82 Ca 0.10 1.85 0.00 0.00 0.02 0.00 0.00 55.97 57.94 3dui s LYS 82 Cb -0.09 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 3dui s LYS 82 CO 0.01 -1.16 0.00 0.41 -0.92 0.00 0.00 175.35 173.68 3dui n GLY 83 N 0.52 0.08 3.89 -3.33 0.00 0.29 -4.88 105.19 101.76 3dui n GLY 83 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3dui n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dui s ALA 84 N -1.17 3.93 0.01 4.61 0.00 -1.11 -4.75 121.76 123.27 3dui s ALA 84 Ca 0.00 -0.87 -0.25 0.00 0.00 0.00 0.00 51.96 50.84 3dui s ALA 84 Cb 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 23.12 21.32 3dui s ALA 84 CO 0.00 0.81 0.77 -1.25 0.00 0.00 0.00 175.76 176.10 3dui s PRO 85 N -2.49 4.49 0.22 0.00 0.04 -1.26 -0.68 135.00 135.32 3dui s PRO 85 Ca 0.34 1.06 0.07 0.00 0.04 0.00 0.00 61.00 62.51 3dui s PRO 85 Cb -0.13 -3.40 -0.05 0.00 0.04 0.00 0.00 34.50 30.97 3dui s PRO 85 CO 0.27 0.19 -0.13 0.96 0.04 0.00 0.00 177.00 178.33 3dui s ILE 86 N 0.29 1.69 -0.04 0.56 -4.36 -0.25 -4.97 121.20 114.12 3dui s ILE 86 Ca 0.40 -2.19 -0.02 0.00 -0.26 0.00 0.00 60.65 58.58 3dui s ILE 86 Cb -0.20 -2.11 0.03 0.00 1.25 0.00 0.00 42.46 41.43 3dui s ILE 86 CO 0.22 -0.54 0.07 -0.70 0.24 0.00 0.00 174.94 174.23 3dui s GLU 87 N -3.67 -0.06 -0.05 0.37 2.12 -1.26 -2.14 118.70 114.02 3dui s GLU 87 Ca 0.24 0.37 0.03 0.00 0.36 0.00 0.00 54.97 55.97 3dui s GLU 87 Cb 0.00 -0.44 0.00 0.00 0.26 0.00 0.00 34.13 33.96 3dui s GLU 87 CO 0.08 -0.30 -0.15 0.42 -0.54 0.00 0.00 175.26 174.77 3dui s ILE 88 N 2.00 1.30 -0.17 -3.70 1.01 0.23 -4.60 121.20 117.27 3dui s ILE 88 Ca 0.02 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 60.04 3dui s ILE 88 Cb -0.12 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 3dui s ILE 88 CO -0.03 0.38 -0.07 -0.89 0.00 0.00 0.00 174.94 174.33 3dui s THR 89 N 0.32 3.43 -0.06 2.92 2.01 -1.01 0.32 115.64 123.57 3dui s THR 89 Ca -0.09 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 61.39 3dui s THR 89 Cb -0.13 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 3dui s THR 89 CO 0.03 0.48 0.02 -0.36 -0.69 0.00 0.00 174.62 174.11 3dui s PHE 90 N 0.72 3.20 0.14 4.92 0.40 0.14 -1.63 117.98 125.87 3dui s PHE 90 Ca -0.03 0.21 0.04 0.00 -0.60 0.00 0.00 56.93 56.54 3dui s PHE 90 Cb -0.15 -1.77 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 3dui s PHE 90 CO 0.02 0.50 -0.10 -1.12 0.70 0.00 0.00 175.22 175.23 3dui s SER 91 N -1.13 1.73 -0.08 1.36 0.01 -0.59 -0.90 113.70 114.09 3dui s SER 91 Ca 0.16 -1.01 -0.16 0.00 1.31 0.00 0.00 55.95 56.25 3dui s SER 91 Cb -0.11 -0.00 0.04 0.00 0.21 0.00 0.00 66.02 66.15 3dui s SER 91 CO 0.05 -0.34 0.40 -0.51 0.41 0.00 0.00 173.24 173.25 3dui s ILE 92 N -3.32 0.02 0.17 1.44 2.07 -1.26 -1.64 121.20 118.68 3dui s ILE 92 Ca 0.16 -0.20 -0.17 0.00 -1.41 0.00 0.00 60.65 59.03 3dui s ILE 92 Cb 0.03 -0.64 0.03 0.00 0.13 0.00 0.00 42.46 42.01 3dui s ILE 92 CO 0.00 -0.11 0.48 0.54 -1.91 0.00 0.00 174.94 173.93 3dui s ASN 93 N -0.59 -0.25 0.43 4.50 4.22 -1.14 -4.68 114.94 117.44 3dui s ASN 93 Ca -0.07 -0.44 0.24 0.00 -2.14 0.00 0.00 52.86 50.45 3dui s ASN 93 Cb -0.04 0.54 1.24 0.00 1.28 0.00 0.00 41.25 44.27 3dui s ASN 93 CO 0.03 -0.98 1.75 1.55 -2.04 0.00 0.00 177.10 177.41 3dui h PRO 94 N 2.26 0.26 0.69 3.55 0.13 -1.93 -2.18 132.00 134.79 3dui h PRO 94 Ca -0.31 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.77 3dui h PRO 94 Cb 1.26 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 32.34 3dui h PRO 94 CO 0.41 0.17 -0.33 0.77 -0.23 0.00 0.00 178.00 178.79 3dui h SER 95 N 0.27 -0.79 -5.83 1.44 0.02 -1.95 -3.43 113.55 103.29 3dui h SER 95 Ca 0.63 0.03 0.34 0.00 -0.84 0.00 0.00 61.79 61.95 3dui h SER 95 Cb 1.82 0.20 -0.09 0.00 0.14 0.00 0.00 62.40 64.48 3dui h SER 95 CO -0.27 -0.55 0.89 1.51 -1.14 0.00 0.00 176.83 177.27 3dui s ASP 96 N -3.46 -0.01 0.02 3.07 1.47 -0.82 -3.53 116.67 113.41 3dui s ASP 96 Ca -0.14 -0.17 -0.13 0.00 1.18 0.00 0.00 52.55 53.29 3dui s ASP 96 Cb 0.01 0.14 -0.06 0.00 -0.34 0.00 0.00 42.92 42.68 3dui s ASP 96 CO 0.41 -0.28 0.40 -0.76 0.68 0.00 0.00 175.17 175.62 3dui s LEU 97 N -3.54 4.44 -0.00 2.11 1.43 0.30 -2.89 118.68 120.52 3dui s LEU 97 Ca 0.25 0.91 0.08 0.00 -1.03 0.00 0.00 54.13 54.34 3dui s LEU 97 Cb 0.01 -2.70 -0.02 0.00 0.03 0.00 0.00 46.19 43.51 3dui s LEU 97 CO -0.02 0.28 -0.25 -0.89 0.23 0.00 0.00 176.35 175.70 3dui s THR 98 N -1.17 2.19 -0.15 5.49 2.01 -0.65 -0.36 115.64 122.99 3dui s THR 98 Ca 0.26 -1.15 0.01 0.00 0.31 0.00 0.00 61.69 61.13 3dui s THR 98 Cb -0.16 -1.79 0.02 0.00 0.01 0.00 0.00 72.50 70.58 3dui s THR 98 CO 0.14 0.52 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.72 3dui s VAL 99 N -0.68 1.86 -0.08 3.82 1.01 -0.23 -1.54 120.40 124.55 3dui s VAL 99 Ca 0.11 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.30 3dui s VAL 99 Cb -0.10 -1.68 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 3dui s VAL 99 CO 0.00 0.51 -0.24 -2.28 0.00 0.00 0.00 175.10 173.09 3dui s HIS 100 N 1.13 2.45 0.18 5.22 2.46 -0.64 0.07 115.29 126.16 3dui s HIS 100 Ca -0.01 -0.90 0.05 0.00 0.47 0.00 0.00 55.06 54.67 3dui s HIS 100 Cb -0.14 -1.63 -0.05 0.00 -0.13 0.00 0.00 32.58 30.63 3dui s HIS 100 CO -0.07 -0.34 -0.09 -0.51 -2.47 0.00 0.00 174.74 171.26 3dui s LEU 101 N 0.17 2.48 -0.20 8.88 1.43 -0.15 -2.41 118.68 128.88 3dui s LEU 101 Ca -0.13 -1.05 -0.28 0.00 -1.03 0.00 0.00 54.13 51.63 3dui s LEU 101 Cb -0.16 -0.42 -0.06 0.00 0.03 0.00 0.00 46.19 45.58 3dui s LEU 101 CO 0.07 -0.32 2.21 -2.65 0.23 0.00 0.00 176.35 175.88 3dui n PRO 102 N -0.28 2.00 -0.17 1.29 -0.02 -1.26 -1.40 135.00 135.15 3dui n PRO 102 Ca -0.09 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3dui n PRO 102 Cb 0.61 -3.20 0.00 0.00 -0.02 0.00 0.00 33.50 30.89 3dui n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dui n GLY 103 N 5.70 0.83 3.06 -1.23 0.00 -1.26 -5.04 105.19 107.26 3dui n GLY 103 Ca 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 3dui n GLY 103 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dui s HIS 104 N -2.51 0.21 -0.14 1.61 3.76 -0.49 -5.14 115.29 112.58 3dui s HIS 104 Ca 0.00 -0.46 -0.04 0.00 -0.15 0.00 0.00 55.06 54.41 3dui s HIS 104 Cb 0.00 -0.16 0.07 0.00 1.11 0.00 0.00 32.58 33.60 3dui s HIS 104 CO 0.00 -0.28 0.21 -1.14 -0.85 0.00 0.00 174.74 172.68 3dui s GLN 105 N -1.96 0.12 0.33 1.40 0.74 -1.26 -0.98 119.66 118.05 3dui s GLN 105 Ca -0.11 0.48 0.07 0.00 0.05 0.00 0.00 55.36 55.85 3dui s GLN 105 Cb -0.05 -0.56 -0.03 0.00 1.10 0.00 0.00 33.01 33.47 3dui s GLN 105 CO -0.02 -0.43 0.31 -0.06 -0.55 0.00 0.00 175.29 174.54 3dui s PHE 106 N 2.34 2.94 0.07 1.67 0.08 0.11 -4.93 117.98 120.25 3dui s PHE 106 Ca 0.04 -0.28 0.02 0.00 0.12 0.00 0.00 56.93 56.82 3dui s PHE 106 Cb -0.13 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.48 3dui s PHE 106 CO -0.09 0.18 -0.07 0.45 -0.10 0.00 0.00 175.22 175.59 3dui s SER 107 N -4.01 0.94 -0.22 1.36 0.15 -1.26 -1.07 113.70 109.60 3dui s SER 107 Ca 0.41 -0.79 -0.12 0.00 0.70 0.00 0.00 55.95 56.16 3dui s SER 107 Cb -0.06 0.08 0.07 0.00 -1.71 0.00 0.00 66.02 64.39 3dui s SER 107 CO 0.27 -0.35 0.52 0.12 1.20 0.00 0.00 173.24 175.00 3dui s PHE 108 N -2.57 -0.81 0.45 3.44 5.36 0.51 -4.98 117.98 119.39 3dui s PHE 108 Ca 0.01 1.64 -0.24 0.00 -0.96 0.00 0.00 56.93 57.38 3dui s PHE 108 Cb -0.02 0.42 -0.09 0.00 -0.34 0.00 0.00 43.02 42.99 3dui s PHE 108 CO -0.03 -0.43 1.17 -0.35 -1.46 0.00 0.00 175.22 174.12 3dui n PRO 109 N 4.38 1.62 -2.14 10.12 -0.04 -1.26 0.11 135.00 147.79 3dui n PRO 109 Ca -0.21 0.58 -0.42 0.00 -0.04 0.00 0.00 63.50 63.41 3dui n PRO 109 Cb 0.56 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 3dui n PRO 109 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3dui n ASN 110 N 0.08 5.44 0.05 3.54 2.85 -1.23 -4.54 115.26 121.45 3dui n ASN 110 Ca 0.09 -3.05 -0.14 0.00 -0.11 0.00 0.00 54.58 51.37 3dui n ASN 110 Cb 0.41 -1.49 -0.09 0.00 1.24 0.00 0.00 39.78 39.85 3dui n ASN 110 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 3dui h ARG 111 N 5.59 -0.57 0.00 1.20 3.08 -1.89 -2.05 114.38 119.74 3dui h ARG 111 Ca 0.49 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.57 3dui h ARG 111 Cb 0.57 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3dui h ARG 111 CO 1.66 -0.38 0.00 1.28 -1.07 0.00 0.00 179.97 181.46 3dui n LEU 112 N -5.05 0.00 -1.73 3.04 4.32 -1.26 -4.83 117.00 111.49 3dui n LEU 112 Ca -0.06 0.27 -0.17 0.00 -0.02 0.00 0.00 56.01 56.03 3dui n LEU 112 Cb 0.34 -0.27 -0.03 0.00 -1.62 0.00 0.00 43.42 41.84 3dui n LEU 112 CO 0.11 -0.23 -0.20 0.61 -1.22 0.00 0.00 177.39 176.46 3dui n GLY 113 N -0.88 0.34 3.72 -0.72 0.00 -0.77 -4.97 105.19 101.92 3dui n GLY 113 Ca 0.02 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3dui n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dui s LEU 114 N -4.55 3.26 -0.15 0.99 1.43 -1.26 -4.97 118.68 113.43 3dui s LEU 114 Ca 0.00 2.34 0.11 0.00 -1.03 0.00 0.00 54.13 55.55 3dui s LEU 114 Cb 0.00 -4.59 -0.17 0.00 0.03 0.00 0.00 46.19 41.46 3dui s LEU 114 CO 0.00 -2.37 0.02 -1.54 0.23 0.00 0.00 176.35 172.69 3dui n SER 115 N -2.91 1.58 -4.00 2.29 3.41 -1.26 -4.62 113.62 108.11 3dui n SER 115 Ca 0.13 -0.01 -0.10 0.00 -0.26 0.00 0.00 58.87 58.63 3dui n SER 115 Cb 0.50 0.70 -0.07 0.00 -0.26 0.00 0.00 64.21 65.09 3dui n SER 115 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3dui s VAL 116 N -2.35 0.00 -0.26 -3.33 -7.23 -1.26 -4.60 120.40 101.36 3dui s VAL 116 Ca -0.09 -1.59 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 3dui s VAL 116 Cb 0.05 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 3dui s VAL 116 CO 0.57 0.00 0.19 -0.36 -0.31 0.00 0.00 175.10 175.19 3dui s PHE 117 N -3.98 3.27 -0.07 2.82 2.99 -1.26 -4.70 117.98 117.05 3dui s PHE 117 Ca 0.28 0.20 0.02 0.00 0.00 0.00 0.00 56.93 57.43 3dui s PHE 117 Cb 0.02 -2.35 -0.03 0.00 0.00 0.00 0.00 43.02 40.66 3dui s PHE 117 CO 0.11 -0.06 0.08 -0.25 -0.00 0.00 0.00 175.22 175.10 3dui n ASP 118 N 4.71 1.93 -4.15 1.36 8.00 0.50 -3.82 116.55 125.08 3dui n ASP 118 Ca -0.14 -0.32 -0.24 0.00 0.71 0.00 0.00 54.79 54.80 3dui n ASP 118 Cb 0.52 1.05 -0.15 0.00 -0.02 0.00 0.00 41.12 42.52 3dui n ASP 118 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3dui s TYR 119 N -1.62 1.46 -0.21 1.24 6.14 -0.35 -0.92 117.35 123.10 3dui s TYR 119 Ca 0.00 -0.29 -0.10 0.00 0.64 0.00 0.00 57.07 57.33 3dui s TYR 119 Cb 0.02 -0.93 0.08 0.00 0.42 0.00 0.00 41.96 41.55 3dui s TYR 119 CO 0.10 -0.01 0.49 0.12 0.64 0.00 0.00 175.55 176.88 3dui s PHE 120 N -0.45 -0.83 0.11 4.97 2.19 -0.70 -2.25 117.98 121.02 3dui s PHE 120 Ca 0.06 1.63 0.00 0.00 0.33 0.00 0.00 56.93 58.95 3dui s PHE 120 Cb -0.07 0.40 -0.04 0.00 -1.31 0.00 0.00 43.02 42.01 3dui s PHE 120 CO -0.00 -0.46 -0.01 0.16 1.83 0.00 0.00 175.22 176.74 3dui s ASP 121 N 2.03 0.76 -0.03 6.13 3.84 -0.95 -0.54 116.67 127.91 3dui s ASP 121 Ca -0.07 -1.10 -0.25 0.00 -0.00 0.00 0.00 52.55 51.14 3dui s ASP 121 Cb -0.09 0.18 0.05 0.00 -1.38 0.00 0.00 42.92 41.68 3dui s ASP 121 CO -0.15 -0.60 0.53 0.28 -0.00 0.00 0.00 175.17 175.24 3dui s THR 122 N -3.82 0.02 0.37 2.11 -1.32 -0.60 -1.27 115.64 111.13 3dui s THR 122 Ca 0.17 -0.19 -0.11 0.00 -1.21 0.00 0.00 61.69 60.35 3dui s THR 122 Cb 0.07 -0.85 0.04 0.00 -1.51 0.00 0.00 72.50 70.24 3dui s THR 122 CO -0.02 -0.10 0.67 -1.38 -2.21 0.00 0.00 174.62 171.58 3dui s HIS 123 N -1.28 0.45 0.00 9.09 -3.43 -1.10 -2.66 115.29 116.36 3dui s HIS 123 Ca -0.12 -0.96 0.00 0.00 -0.80 0.00 0.00 55.06 53.18 3dui s HIS 123 Cb -0.02 0.50 0.00 0.00 -1.43 0.00 0.00 32.58 31.63 3dui s HIS 123 CO 0.08 -1.41 0.00 0.41 -2.00 0.00 0.00 174.74 171.82 3dui n GLY 124 N -0.54 -1.78 2.03 -1.38 0.00 -1.26 -1.85 105.19 100.41 3dui n GLY 124 Ca -0.05 -1.99 -0.14 0.00 0.00 0.00 0.00 46.02 43.85 3dui n GLY 124 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dui n ASP 125 N 0.04 5.36 -3.88 1.61 8.00 -0.14 -4.78 116.55 122.77 3dui n ASP 125 Ca 0.00 -2.46 -0.14 0.00 0.71 0.00 0.00 54.79 52.89 3dui n ASP 125 Cb 0.00 -1.40 -0.15 0.00 -0.02 0.00 0.00 41.12 39.55 3dui n ASP 125 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3dui s PHE 126 N 1.13 0.21 -0.35 1.24 5.36 -1.26 -0.97 117.98 123.34 3dui s PHE 126 Ca 0.66 -0.02 -0.06 0.00 -0.96 0.00 0.00 56.93 56.54 3dui s PHE 126 Cb 0.30 -0.20 0.05 0.00 -0.34 0.00 0.00 43.02 42.84 3dui s PHE 126 CO -0.00 -0.04 0.13 0.99 -1.46 0.00 0.00 175.22 174.84 3dui s THR 127 N 0.25 3.77 0.36 0.12 2.01 -0.10 -4.88 115.64 117.18 3dui s THR 127 Ca -0.02 -1.26 -0.28 0.00 0.31 0.00 0.00 61.69 60.45 3dui s THR 127 Cb -0.04 -3.20 -0.10 0.00 0.01 0.00 0.00 72.50 69.17 3dui s THR 127 CO -0.01 -0.26 1.30 -0.22 -0.69 0.00 0.00 174.62 174.74 3dui s LEU 128 N 1.38 4.33 0.00 4.42 2.96 -1.26 -1.51 118.68 129.00 3dui s LEU 128 Ca -0.00 2.67 0.00 0.00 -0.22 0.00 0.00 54.13 56.58 3dui s LEU 128 Cb -0.20 -3.76 0.00 0.00 0.50 0.00 0.00 46.19 42.73 3dui s LEU 128 CO 0.02 -0.67 0.01 0.54 -1.32 0.00 0.00 176.35 174.93 3dui n ARG 129 N 0.51 -0.01 -3.65 1.98 5.12 0.26 -4.93 116.66 115.95 3dui n ARG 129 Ca 0.02 -0.01 -0.02 0.00 -1.93 0.00 0.00 57.85 55.91 3dui n ARG 129 Cb 0.43 -0.46 -0.07 0.00 -1.16 0.00 0.00 32.46 31.20 3dui n ARG 129 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3dui s SER 130 N -0.00 -0.17 -0.08 0.55 0.15 -0.97 -4.93 113.70 108.25 3dui s SER 130 Ca 0.00 0.30 -0.01 0.00 0.70 0.00 0.00 55.95 56.93 3dui s SER 130 Cb 0.00 0.68 0.03 0.00 -1.71 0.00 0.00 66.02 65.02 3dui s SER 130 CO 0.00 -0.05 0.01 -0.69 1.20 0.00 0.00 173.24 173.71 3dui s VAL 131 N 0.59 0.36 0.05 4.45 1.01 -1.26 -1.36 120.40 124.25 3dui s VAL 131 Ca -0.01 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 3dui s VAL 131 Cb -0.04 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 3dui s VAL 131 CO -0.12 0.23 0.13 -0.94 0.00 0.00 0.00 175.10 174.40 3dui s SER 132 N 1.97 0.17 0.04 3.32 1.04 -0.87 -5.02 113.70 114.35 3dui s SER 132 Ca 0.05 -0.59 -0.11 0.00 0.48 0.00 0.00 55.95 55.78 3dui s SER 132 Cb -0.13 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.28 3dui s SER 132 CO -0.05 -0.60 0.24 -1.66 0.98 0.00 0.00 173.24 172.15 3dui s TRP 133 N -3.13 -0.01 0.00 5.02 -2.14 -1.26 -1.05 118.94 116.36 3dui s TRP 133 Ca -0.01 -0.17 0.00 0.00 2.66 0.00 0.00 56.10 58.58 3dui s TRP 133 Cb 0.02 0.02 0.00 0.00 -3.10 0.00 0.00 33.47 30.41 3dui s TRP 133 CO -0.07 -0.46 0.00 -0.85 -2.66 0.00 0.00 176.95 172.91