#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dui n GLY 4 N 0.00 1.45 3.65 1.69 0.00 -1.25 -4.74 105.19 105.99 3dui n GLY 4 Ca 0.00 -0.96 -0.45 0.00 0.00 0.00 0.00 46.02 44.61 3dui n GLY 4 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dui n PRO 5 N -0.04 1.87 -4.13 1.61 -0.02 -1.20 -4.78 135.00 128.31 3dui n PRO 5 Ca -0.00 0.66 -0.23 0.00 -2.02 0.00 0.00 63.50 61.91 3dui n PRO 5 Cb 0.04 -2.27 -0.17 0.00 -0.02 0.00 0.00 33.50 31.08 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 -0.27 0.72 -0.11 -1.45 1.01 -1.26 -2.04 120.40 116.99 3dui s VAL 6 Ca 0.67 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.48 3dui s VAL 6 Cb -0.67 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 34.98 3dui s VAL 6 CO 0.52 0.28 -0.16 0.00 0.00 0.00 0.00 175.10 175.74 3dui s THR 8 N 0.94 3.13 -1.32 0.00 -4.23 -1.26 -1.68 115.64 111.21 3dui s THR 8 Ca -0.07 -1.59 -0.02 0.00 -1.18 0.00 0.00 61.69 58.83 3dui s THR 8 Cb -0.15 -2.52 -0.00 0.00 1.34 0.00 0.00 72.50 71.17 3dui s THR 8 CO -0.01 -0.04 0.60 0.59 -0.54 0.00 0.00 174.62 175.21 3dui n ASN 9 N 0.27 -1.36 0.17 3.99 3.02 -0.17 -4.86 115.26 116.32 3dui n ASN 9 Ca -0.12 -0.91 0.05 0.00 -0.03 0.00 0.00 54.58 53.57 3dui n ASN 9 Cb 0.55 -3.62 0.50 0.00 -0.61 0.00 0.00 39.78 36.60 3dui n ASN 9 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3dui h LEU 10 N -1.84 0.13 -0.68 3.41 3.38 -1.07 -3.47 115.31 115.17 3dui h LEU 10 Ca -0.62 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.25 3dui h LEU 10 Cb 1.36 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 42.10 3dui h LEU 10 CO 0.58 0.20 -0.13 0.61 0.09 0.00 0.00 178.44 179.79 3dui n GLY 11 N -1.21 0.58 3.77 0.83 0.00 -1.26 -5.02 105.19 102.88 3dui n GLY 11 Ca -0.01 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.02 4.41 0.34 0.99 1.02 -1.24 -5.04 118.68 117.14 3dui s LEU 12 Ca 0.09 2.45 -0.01 0.00 0.02 0.00 0.00 54.13 56.68 3dui s LEU 12 Cb -0.04 -3.74 -0.04 0.00 0.02 0.00 0.00 46.19 42.39 3dui s LEU 12 CO 0.11 -0.43 0.57 -0.54 0.02 0.00 0.00 176.35 176.08 3dui s LYS 13 N -1.80 3.52 -0.04 1.70 -0.14 -1.26 -4.73 119.74 116.99 3dui s LYS 13 Ca 0.49 -0.21 -0.36 0.00 -1.36 0.00 0.00 55.97 54.54 3dui s LYS 13 Cb -0.35 -2.64 -0.14 0.00 -1.68 0.00 0.00 37.83 33.03 3dui s LYS 13 CO 0.45 0.14 1.69 -2.30 -0.76 0.00 0.00 175.35 174.57 3dui n PRO 14 N -1.59 1.79 -0.01 -1.68 -0.02 -1.26 -1.54 135.00 130.70 3dui n PRO 14 Ca -0.04 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3dui n PRO 14 Cb 0.55 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 3.81 0.18 3.78 -1.23 0.00 -1.26 -5.07 105.19 105.40 3dui n GLY 15 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.96 4.58 -0.10 1.61 -0.21 -0.59 -5.00 119.66 119.00 3dui s GLN 16 Ca 0.00 1.19 -0.03 0.00 0.02 0.00 0.00 55.36 56.53 3dui s GLN 16 Cb 0.00 -3.21 -0.04 0.00 1.00 0.00 0.00 33.01 30.76 3dui s GLN 16 CO 0.00 0.54 0.04 1.03 -2.12 0.00 0.00 175.29 174.78 3dui s ARG 17 N -1.26 3.13 -0.29 2.91 0.52 -0.08 -4.72 118.95 119.15 3dui s ARG 17 Ca 0.38 -0.33 -0.15 0.00 -0.52 0.00 0.00 55.73 55.11 3dui s ARG 17 Cb -0.23 -2.91 -0.03 0.00 0.52 0.00 0.00 34.95 32.30 3dui s ARG 17 CO 0.26 0.71 0.37 -1.17 0.02 0.00 0.00 175.30 175.50 3dui s LEU 18 N -0.90 4.16 -0.17 2.53 2.96 0.02 -2.99 118.68 124.29 3dui s LEU 18 Ca 0.13 0.12 -0.07 0.00 -0.22 0.00 0.00 54.13 54.09 3dui s LEU 18 Cb -0.12 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 3dui s LEU 18 CO 0.03 -0.24 0.08 -0.89 -1.32 0.00 0.00 176.35 174.01 3dui s THR 19 N 2.07 4.96 -0.07 3.68 2.01 0.51 0.05 115.64 128.85 3dui s THR 19 Ca 0.14 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.21 3dui s THR 19 Cb -0.16 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 69.13 3dui s THR 19 CO 0.11 0.49 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.60 3dui s VAL 20 N 0.08 1.94 0.07 3.82 1.01 0.22 -1.89 120.40 125.64 3dui s VAL 20 Ca 0.06 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.12 3dui s VAL 20 Cb -0.12 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 3dui s VAL 20 CO 0.00 0.54 -0.17 -0.54 0.00 0.00 0.00 175.10 174.93 3dui s LYS 21 N 0.04 1.01 0.00 2.72 1.02 -0.66 -0.70 119.74 123.17 3dui s LYS 21 Ca -0.08 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 54.93 3dui s LYS 21 Cb -0.15 -1.12 0.00 0.00 -0.52 0.00 0.00 37.83 36.05 3dui s LYS 21 CO 0.05 0.26 0.00 0.41 -0.92 0.00 0.00 175.35 175.15 3dui n GLY 22 N 1.41 -1.36 3.30 -3.33 0.00 -0.84 -0.90 105.19 103.46 3dui n GLY 22 Ca -0.19 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.61 2.22 -0.04 -0.61 1.09 -0.12 -0.22 121.20 120.91 3dui s ILE 23 Ca 0.00 -1.01 -0.28 0.00 -1.10 0.00 0.00 60.65 58.26 3dui s ILE 23 Cb 0.00 -1.82 -0.03 0.00 -1.06 0.00 0.00 42.46 39.55 3dui s ILE 23 CO 0.00 0.57 0.89 -0.63 -0.10 0.00 0.00 174.94 175.67 3dui s ILE 24 N -0.20 4.92 0.56 2.92 1.01 0.27 -0.38 121.20 130.30 3dui s ILE 24 Ca -0.02 1.86 -0.19 0.00 0.00 0.00 0.00 60.65 62.30 3dui s ILE 24 Cb -0.13 -4.23 -0.08 0.00 0.01 0.00 0.00 42.46 38.03 3dui s ILE 24 CO 0.03 0.17 0.70 0.00 0.00 0.00 0.00 174.94 175.84 3dui n ALA 25 N 4.01 -0.66 0.00 9.38 0.00 -0.42 -0.30 120.51 132.52 3dui n ALA 25 Ca 0.04 0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.53 3dui n ALA 25 Cb 0.51 -1.93 0.42 0.00 0.00 0.00 0.00 19.45 18.45 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 0.44 0.54 -0.10 0.00 0.11 -1.89 0.16 132.00 131.26 3dui h PRO 26 Ca -0.46 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3dui h PRO 26 Cb 1.38 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 3dui h PRO 26 CO 0.49 0.36 -0.25 0.09 -0.21 0.00 0.00 178.00 178.48 3dui n ASN 27 N -4.47 2.20 -4.55 -2.05 3.02 -1.26 -4.28 115.26 103.86 3dui n ASN 27 Ca 0.03 -3.63 -0.46 0.00 -0.03 0.00 0.00 54.58 50.49 3dui n ASN 27 Cb 0.06 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 38.67 3dui n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dui n ALA 28 N -1.15 -0.83 -0.13 5.41 0.00 -1.09 -4.94 120.51 117.79 3dui n ALA 28 Ca 0.22 0.42 -0.22 0.00 0.00 0.00 0.00 53.44 53.86 3dui n ALA 28 Cb 0.78 -1.95 -0.10 0.00 0.00 0.00 0.00 19.45 18.18 3dui n ALA 28 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dui n LYS 29 N 0.98 0.58 -3.70 0.00 4.76 -1.26 -4.77 118.16 114.75 3dui n LYS 29 Ca 0.12 0.19 -0.00 0.00 -2.87 0.00 0.00 58.31 55.75 3dui n LYS 29 Cb 0.29 -1.46 -0.00 0.00 -1.84 0.00 0.00 35.03 32.02 3dui n LYS 29 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3dui s SER 30 N -6.80 -0.08 0.21 4.39 1.04 -1.26 0.12 113.70 111.31 3dui s SER 30 Ca -0.34 -0.25 -0.19 0.00 0.48 0.00 0.00 55.95 55.64 3dui s SER 30 Cb 0.11 0.28 0.03 0.00 0.10 0.00 0.00 66.02 66.54 3dui s SER 30 CO 0.52 -0.52 0.59 0.72 0.98 0.00 0.00 173.24 175.52 3dui s PHE 31 N -2.63 -0.22 0.03 5.02 -0.71 -0.99 -1.01 117.98 117.47 3dui s PHE 31 Ca 0.15 -0.12 -0.01 0.00 -1.04 0.00 0.00 56.93 55.91 3dui s PHE 31 Cb 0.02 0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 42.31 3dui s PHE 31 CO -0.01 -0.98 -0.01 0.14 -1.34 0.00 0.00 175.22 173.02 3dui s VAL 32 N -3.86 0.15 -0.05 -2.49 -7.23 -0.58 -2.45 120.40 103.89 3dui s VAL 32 Ca 0.08 -1.22 -0.00 0.00 -1.81 0.00 0.00 61.98 59.03 3dui s VAL 32 Cb -0.02 -0.74 0.03 0.00 0.56 0.00 0.00 36.38 36.20 3dui s VAL 32 CO -0.03 -0.67 -0.01 -0.04 -0.31 0.00 0.00 175.10 174.05 3dui s MET 33 N -2.39 0.49 -0.15 4.82 -1.94 0.19 -2.60 119.30 117.74 3dui s MET 33 Ca -0.07 0.06 -0.01 0.00 -1.71 0.00 0.00 55.69 53.96 3dui s MET 33 Cb -0.03 -0.72 -0.02 0.00 2.01 0.00 0.00 34.83 36.07 3dui s MET 33 CO -0.04 -0.19 -0.11 -0.80 -0.01 0.00 0.00 175.02 173.87 3dui s ASN 34 N 1.37 4.16 0.04 3.03 0.01 -0.19 -0.21 114.94 123.15 3dui s ASN 34 Ca -0.05 -0.31 0.05 0.00 -0.71 0.00 0.00 52.86 51.85 3dui s ASN 34 Cb -0.13 -1.65 -0.02 0.00 0.41 0.00 0.00 41.25 39.85 3dui s ASN 34 CO -0.02 0.14 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.80 3dui s LEU 35 N 0.50 2.17 0.00 0.60 1.02 0.13 -1.70 118.68 121.40 3dui s LEU 35 Ca -0.08 -0.47 0.00 0.00 0.02 0.00 0.00 54.13 53.61 3dui s LEU 35 Cb -0.15 -0.66 0.00 0.00 0.02 0.00 0.00 46.19 45.40 3dui s LEU 35 CO 0.04 0.05 0.00 0.61 0.02 0.00 0.00 176.35 177.07 3dui n GLY 36 N 1.89 -0.71 0.13 -3.19 0.00 -0.91 -0.16 105.19 102.24 3dui n GLY 36 Ca -0.18 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 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 0.73 -3.81 1.61 4.81 -0.34 -0.75 118.16 120.42 3dui n LYS 37 Ca 0.00 0.24 -0.08 0.00 -0.87 0.00 0.00 58.31 57.60 3dui n LYS 37 Cb 0.00 -1.68 0.03 0.00 0.02 0.00 0.00 35.03 33.40 3dui n LYS 37 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 3dui s ASP 38 N -6.88 0.03 0.34 3.14 1.47 -1.23 -3.90 116.67 109.63 3dui s ASP 38 Ca -0.24 -1.15 0.21 0.00 1.18 0.00 0.00 52.55 52.55 3dui s ASP 38 Cb 0.07 0.83 1.15 0.00 -0.34 0.00 0.00 42.92 44.63 3dui s ASP 38 CO 0.74 -1.66 1.62 0.77 0.68 0.00 0.00 175.17 177.33 3dui h SER 39 N 2.00 0.00 -0.07 2.11 4.64 -1.97 -1.85 113.55 118.41 3dui h SER 39 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3dui h SER 39 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3dui h SER 39 CO 0.42 0.00 0.00 1.07 -0.87 0.00 0.00 176.83 177.45 3dui n THR 40 N -2.26 0.31 -3.53 2.95 5.66 -1.26 -4.74 114.28 111.41 3dui n THR 40 Ca -0.01 -0.66 -0.27 0.00 -3.05 0.00 0.00 64.05 60.06 3dui n THR 40 Cb 0.10 0.94 -0.11 0.00 -1.55 0.00 0.00 70.33 69.71 3dui n THR 40 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3dui s HIS 41 N -0.70 1.75 -0.40 1.09 3.76 -0.69 -2.76 115.29 117.34 3dui s HIS 41 Ca 0.10 -2.59 -0.18 0.00 -0.15 0.00 0.00 55.06 52.24 3dui s HIS 41 Cb 0.06 -1.40 0.01 0.00 1.11 0.00 0.00 32.58 32.36 3dui s HIS 41 CO 0.09 -0.75 0.51 -0.51 -0.85 0.00 0.00 174.74 173.22 3dui s LEU 42 N -0.33 4.57 0.13 0.89 1.43 -1.04 -1.19 118.68 123.15 3dui s LEU 42 Ca 0.30 -0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 52.94 3dui s LEU 42 Cb 0.01 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 3dui s LEU 42 CO -0.19 -0.58 1.50 1.23 0.23 0.00 0.00 176.35 178.54 3dui h GLY 43 N 9.21 0.95 -7.07 -3.19 0.00 -0.86 -2.41 103.07 99.70 3dui h GLY 43 Ca -0.27 -0.89 -0.34 0.00 0.00 0.00 0.00 47.33 45.83 3dui h GLY 43 CO 0.80 0.80 -0.72 -2.27 0.00 0.00 0.00 176.54 175.16 3dui s LEU 44 N -9.05 0.30 -0.40 3.11 2.96 -0.42 -4.55 118.68 110.63 3dui s LEU 44 Ca -0.12 0.12 -0.10 0.00 -0.22 0.00 0.00 54.13 53.81 3dui s LEU 44 Cb 0.11 -0.05 0.05 0.00 0.50 0.00 0.00 46.19 46.80 3dui s LEU 44 CO 0.85 -0.22 0.23 -2.28 -1.32 0.00 0.00 176.35 173.61 3dui s HIS 45 N 1.96 3.28 -0.35 5.38 5.65 0.28 -0.69 115.29 130.80 3dui s HIS 45 Ca 0.02 -1.23 -0.12 0.00 0.25 0.00 0.00 55.06 53.98 3dui s HIS 45 Cb -0.12 -2.68 -0.00 0.00 -1.18 0.00 0.00 32.58 28.60 3dui s HIS 45 CO -0.04 -0.75 0.22 0.12 -0.65 0.00 0.00 174.74 173.65 3dui s PHE 46 N 1.50 3.22 -0.47 3.88 5.36 0.71 -2.05 117.98 130.12 3dui s PHE 46 Ca 0.02 -0.48 0.03 0.00 -0.96 0.00 0.00 56.93 55.54 3dui s PHE 46 Cb -0.21 -2.46 0.14 0.00 -0.34 0.00 0.00 43.02 40.15 3dui s PHE 46 CO 0.05 -0.47 0.28 1.21 -1.46 0.00 0.00 175.22 174.83 3dui s ASN 47 N 1.66 3.53 0.13 6.13 3.04 -0.08 -0.63 114.94 128.72 3dui s ASN 47 Ca 0.05 -2.83 -0.30 0.00 0.04 0.00 0.00 52.86 49.81 3dui s ASN 47 Cb -0.18 -1.04 -0.07 0.00 -1.54 0.00 0.00 41.25 38.42 3dui s ASN 47 CO 0.09 -0.23 1.27 -2.84 -3.04 0.00 0.00 177.10 172.35 3dui s PRO 48 N 0.09 4.41 -0.23 0.43 0.02 -1.03 -1.10 135.00 137.60 3dui s PRO 48 Ca 0.20 1.93 0.02 0.00 0.02 0.00 0.00 61.00 63.17 3dui s PRO 48 Cb -0.18 -3.26 0.05 0.00 0.02 0.00 0.00 34.50 31.12 3dui s PRO 48 CO -0.04 -0.26 -0.11 1.03 -0.33 0.00 0.00 177.00 177.29 3dui s ARG 49 N 0.52 2.16 -0.08 5.54 0.52 0.22 -2.35 118.95 125.47 3dui s ARG 49 Ca 0.58 -1.07 -0.24 0.00 -0.52 0.00 0.00 55.73 54.48 3dui s ARG 49 Cb -0.34 -2.65 -0.20 0.00 0.52 0.00 0.00 34.95 32.28 3dui s ARG 49 CO 0.33 -0.49 0.89 0.74 0.02 0.00 0.00 175.30 176.79 3dui h PHE 50 N 7.89 -0.05 -1.35 -0.53 0.04 -0.58 0.57 116.94 122.92 3dui h PHE 50 Ca -0.25 -0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.41 3dui h PHE 50 Cb 1.08 0.02 -0.24 0.00 2.20 0.00 0.00 35.95 39.00 3dui h PHE 50 CO 0.55 0.61 -0.49 0.34 -0.60 0.00 0.00 178.31 178.73 3dui s ASP 51 N -5.85 -0.59 -0.28 2.17 3.68 -0.74 -0.19 116.67 114.87 3dui s ASP 51 Ca -0.15 -0.47 -0.19 0.00 2.13 0.00 0.00 52.55 53.87 3dui s ASP 51 Cb -0.01 1.52 0.09 0.00 -1.45 0.00 0.00 42.92 43.08 3dui s ASP 51 CO 0.59 -0.28 0.76 0.00 0.13 0.00 0.00 175.17 176.37 3dui s ALA 52 N 2.31 -1.91 -1.37 3.66 0.00 -0.45 -4.70 121.76 119.31 3dui s ALA 52 Ca 0.12 2.25 -0.07 0.00 0.00 0.00 0.00 51.96 54.26 3dui s ALA 52 Cb -0.10 -1.40 0.04 0.00 0.00 0.00 0.00 23.12 21.66 3dui s ALA 52 CO -0.20 -0.35 0.48 0.72 0.00 0.00 0.00 175.76 176.41 3dui n HIS 53 N 3.63 -1.81 0.00 0.00 8.25 -1.26 -1.27 115.22 122.76 3dui n HIS 53 Ca -0.18 0.44 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 3dui n HIS 53 Cb 0.57 -3.50 0.00 0.00 1.12 0.00 0.00 29.99 28.19 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 -1.26 2.37 3.84 -1.41 0.00 -1.26 -5.04 105.19 102.43 3dui n GLY 54 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.90 6.89 -0.09 1.61 1.01 -0.40 -5.08 116.67 118.71 3dui s ASP 55 Ca 0.00 1.16 0.00 0.00 0.71 0.00 0.00 52.55 54.42 3dui s ASP 55 Cb 0.00 -2.32 0.02 0.00 1.01 0.00 0.00 42.92 41.63 3dui s ASP 55 CO 0.00 0.10 -0.08 -0.69 0.21 0.00 0.00 175.17 174.71 3dui s VAL 56 N -1.44 0.99 -1.27 -1.27 1.01 -1.26 -1.33 120.40 115.82 3dui s VAL 56 Ca 0.38 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 3dui s VAL 56 Cb -0.16 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.24 3dui s VAL 56 CO 0.19 0.35 0.60 0.59 0.00 0.00 0.00 175.10 176.84 3dui n ASN 57 N 4.58 -2.91 -3.83 3.32 3.02 0.73 -4.97 115.26 115.20 3dui n ASN 57 Ca -0.16 -1.05 -0.09 0.00 -0.03 0.00 0.00 54.58 53.25 3dui n ASN 57 Cb 0.51 -3.01 -0.06 0.00 -0.61 0.00 0.00 39.78 36.60 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 -6.82 0.85 -0.15 3.41 0.05 -0.00 -4.54 118.68 111.49 3dui s LEU 58 Ca 0.27 -0.64 -0.05 0.00 0.05 0.00 0.00 54.13 53.76 3dui s LEU 58 Cb -0.11 1.42 -0.03 0.00 -2.05 0.00 0.00 46.19 45.42 3dui s LEU 58 CO 0.89 -0.86 0.02 -0.63 -0.55 0.00 0.00 176.35 175.21 3dui s ILE 59 N -3.89 4.39 -0.15 1.48 1.01 -0.78 0.70 121.20 123.96 3dui s ILE 59 Ca 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 3dui s ILE 59 Cb 0.03 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 3dui s ILE 59 CO -0.06 0.52 -0.03 -0.69 0.00 0.00 0.00 174.94 174.67 3dui s VAL 60 N -0.01 3.94 0.06 2.92 1.01 -0.26 -1.36 120.40 126.70 3dui s VAL 60 Ca 0.04 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.73 3dui s VAL 60 Cb -0.13 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 3dui s VAL 60 CO 0.02 0.50 -0.17 0.00 0.00 0.00 0.00 175.10 175.45 3dui n ASN 62 N 1.60 -1.79 -4.23 0.00 2.85 -0.87 -1.14 115.26 111.69 3dui n ASN 62 Ca -0.19 -2.29 -0.13 0.00 -0.11 0.00 0.00 54.58 51.87 3dui n ASN 62 Cb 0.54 2.99 -0.10 0.00 1.24 0.00 0.00 39.78 44.45 3dui n ASN 62 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3dui s SER 63 N -2.65 1.38 -0.01 1.20 1.04 -1.26 -0.55 113.70 112.85 3dui s SER 63 Ca 0.13 -1.08 -0.02 0.00 0.48 0.00 0.00 55.95 55.46 3dui s SER 63 Cb -0.04 0.07 -0.00 0.00 0.10 0.00 0.00 66.02 66.15 3dui s SER 63 CO 0.10 -0.47 0.05 -0.75 0.98 0.00 0.00 173.24 173.14 3dui s LYS 64 N -3.84 0.19 -0.06 4.02 2.20 -0.91 0.90 119.74 122.23 3dui s LYS 64 Ca 0.19 -0.17 -0.03 0.00 -0.36 0.00 0.00 55.97 55.60 3dui s LYS 64 Cb 0.05 0.08 0.04 0.00 -1.51 0.00 0.00 37.83 36.49 3dui s LYS 64 CO 0.01 -0.03 0.13 0.15 -0.36 0.00 0.00 175.35 175.24 3dui s LYS 65 N -0.56 0.03 -0.81 4.03 1.02 -0.94 -2.48 119.74 120.03 3dui s LYS 65 Ca -0.06 0.43 -0.01 0.00 0.02 0.00 0.00 55.97 56.35 3dui s LYS 65 Cb -0.04 -0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.00 3dui s LYS 65 CO 0.00 -0.25 0.61 -1.33 -0.92 0.00 0.00 175.35 173.46 3dui n MET 66 N 4.81 -1.54 -2.50 1.68 2.81 -1.11 -1.33 117.12 119.92 3dui n MET 66 Ca -0.15 0.83 -0.16 0.00 -1.81 0.00 0.00 57.70 56.42 3dui n MET 66 Cb 0.50 -2.52 -0.00 0.00 -0.71 0.00 0.00 33.22 30.49 3dui n MET 66 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3dui n GLU 67 N -2.49 -2.26 -3.36 0.03 1.02 -1.26 -4.95 120.64 107.37 3dui n GLU 67 Ca -0.29 0.73 -0.06 0.00 -0.02 0.00 0.00 57.16 57.52 3dui n GLU 67 Cb 0.68 -5.37 -0.07 0.00 -0.02 0.00 0.00 31.44 26.67 3dui n GLU 67 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3dui s GLU 68 N -5.12 0.40 0.57 3.49 0.41 -0.45 -5.15 118.70 112.86 3dui s GLU 68 Ca 0.03 0.74 -0.19 0.00 -0.41 0.00 0.00 54.97 55.15 3dui s GLU 68 Cb -0.02 -0.09 -0.07 0.00 -1.78 0.00 0.00 34.13 32.18 3dui s GLU 68 CO 0.04 -0.57 0.79 0.91 -0.49 0.00 0.00 175.26 175.94 3dui n TRP 69 N 5.39 0.22 -0.81 1.61 7.02 -1.26 -2.22 117.44 127.38 3dui n TRP 69 Ca -0.04 0.45 0.00 0.00 -1.02 0.00 0.00 57.50 56.89 3dui n TRP 69 Cb 0.50 -2.07 0.00 0.00 -2.42 0.00 0.00 31.31 27.32 3dui n TRP 69 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3dui n GLY 70 N 1.49 0.17 3.65 6.99 0.00 0.26 -4.89 105.19 112.85 3dui n GLY 70 Ca 0.13 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 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 0.60 4.44 0.38 2.61 2.01 -1.26 -4.77 115.64 119.66 3dui s THR 71 Ca 0.00 1.70 -0.28 0.00 0.31 0.00 0.00 61.69 63.43 3dui s THR 71 Cb 0.00 -4.24 -0.11 0.00 0.01 0.00 0.00 72.50 68.16 3dui s THR 71 CO 0.00 -0.31 1.47 -0.70 -0.69 0.00 0.00 174.62 174.39 3dui s GLU 72 N 3.57 4.07 -0.01 4.92 2.12 -1.26 -4.78 118.70 127.32 3dui s GLU 72 Ca 0.49 2.54 0.03 0.00 0.36 0.00 0.00 54.97 58.39 3dui s GLU 72 Cb -0.16 -2.93 -0.00 0.00 0.26 0.00 0.00 34.13 31.29 3dui s GLU 72 CO 0.14 -0.56 -0.10 -0.65 -0.54 0.00 0.00 175.26 173.55 3dui s GLN 73 N -2.13 0.86 -0.10 4.30 -0.21 -0.29 -5.00 119.66 117.09 3dui s GLN 73 Ca 0.54 -0.34 0.03 0.00 0.02 0.00 0.00 55.36 55.60 3dui s GLN 73 Cb -0.46 -0.82 -0.01 0.00 1.00 0.00 0.00 33.01 32.72 3dui s GLN 73 CO 0.62 0.18 -0.20 1.03 -2.12 0.00 0.00 175.29 174.80 3dui s ARG 74 N -0.10 3.08 -0.09 2.91 0.52 -1.26 -0.48 118.95 123.53 3dui s ARG 74 Ca 0.02 -0.81 0.04 0.00 -0.52 0.00 0.00 55.73 54.46 3dui s ARG 74 Cb -0.05 -2.40 -0.00 0.00 0.52 0.00 0.00 34.95 33.02 3dui s ARG 74 CO -0.00 0.23 -0.24 -1.83 0.02 0.00 0.00 175.30 173.49 3dui s GLU 75 N 0.24 2.93 0.00 3.54 4.04 -0.47 -5.00 118.70 123.99 3dui s GLU 75 Ca -0.13 -0.86 0.27 0.00 0.04 0.00 0.00 54.97 54.29 3dui s GLU 75 Cb -0.16 -2.24 0.94 0.00 0.02 0.00 0.00 34.13 32.69 3dui s GLU 75 CO 0.07 0.19 1.68 0.25 -1.84 0.00 0.00 175.26 175.61 3dui n THR 76 N 3.47 0.00 -2.57 1.83 -2.24 -1.26 -1.87 114.28 111.64 3dui n THR 76 Ca -0.19 -0.14 -0.43 0.00 -2.27 0.00 0.00 64.05 61.02 3dui n THR 76 Cb 0.53 0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 69.05 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 -2.35 4.17 -0.56 2.28 1.01 -1.26 -4.84 120.40 118.84 3dui s VAL 77 Ca 0.29 1.19 -0.02 0.00 0.00 0.00 0.00 61.98 63.43 3dui s VAL 77 Cb 0.20 -4.56 0.15 0.00 0.00 0.00 0.00 36.38 32.17 3dui s VAL 77 CO 0.46 -0.98 0.37 0.12 0.00 0.00 0.00 175.10 175.07 3dui s PHE 78 N 4.58 3.44 -2.03 5.22 5.36 -1.26 -4.81 117.98 128.49 3dui s PHE 78 Ca 0.50 -2.66 0.10 0.00 -0.96 0.00 0.00 56.93 53.90 3dui s PHE 78 Cb -0.08 -3.19 0.33 0.00 -0.34 0.00 0.00 43.02 39.75 3dui s PHE 78 CO 0.32 -0.87 1.26 -0.35 -1.46 0.00 0.00 175.22 174.12 3dui n PRO 79 N 3.75 1.59 -3.04 10.12 -0.04 -1.26 -4.93 135.00 141.19 3dui n PRO 79 Ca 0.05 -0.91 -0.30 0.00 -0.04 0.00 0.00 63.50 62.29 3dui n PRO 79 Cb 0.38 -1.23 -0.04 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.68 3.45 -0.01 0.54 0.08 -1.26 -5.08 117.98 114.01 3dui s PHE 80 Ca 0.20 0.99 0.01 0.00 0.12 0.00 0.00 56.93 58.24 3dui s PHE 80 Cb 0.10 -2.38 0.00 0.00 -0.57 0.00 0.00 43.02 40.18 3dui s PHE 80 CO 0.14 0.01 -0.03 -0.65 -0.10 0.00 0.00 175.22 174.59 3dui s GLN 81 N -3.56 0.32 0.50 0.44 -0.21 -1.26 -5.14 119.66 110.75 3dui s GLN 81 Ca 0.50 -0.09 -0.23 0.00 0.02 0.00 0.00 55.36 55.56 3dui s GLN 81 Cb -0.10 -0.35 -0.06 0.00 1.00 0.00 0.00 33.01 33.49 3dui s GLN 81 CO 0.28 0.03 1.36 0.15 -2.12 0.00 0.00 175.29 174.99 3dui s LYS 82 N 0.18 3.43 -0.15 2.91 1.02 -1.26 -2.64 119.74 123.22 3dui s LYS 82 Ca -0.01 2.25 0.00 0.00 0.02 0.00 0.00 55.97 58.23 3dui s LYS 82 Cb -0.04 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 3dui s LYS 82 CO -0.00 -0.97 0.00 0.41 -0.92 0.00 0.00 175.35 173.87 3dui n GLY 83 N 0.65 0.32 3.85 -3.33 0.00 0.59 -4.82 105.19 102.46 3dui n GLY 83 Ca 0.08 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.50 3.81 0.26 4.61 0.00 -1.08 -4.76 121.76 123.10 3dui s ALA 84 Ca 0.00 -0.81 -0.28 0.00 0.00 0.00 0.00 51.96 50.87 3dui s ALA 84 Cb 0.00 -1.76 -0.09 0.00 0.00 0.00 0.00 23.12 21.27 3dui s ALA 84 CO 0.00 0.73 0.92 -2.14 0.00 0.00 0.00 175.76 175.26 3dui s PRO 85 N -1.88 4.70 0.11 0.00 0.02 -1.26 -0.56 135.00 136.13 3dui s PRO 85 Ca 0.26 1.37 0.01 0.00 0.02 0.00 0.00 61.00 62.65 3dui s PRO 85 Cb -0.12 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 3dui s PRO 85 CO 0.17 0.43 -0.02 0.96 -0.33 0.00 0.00 177.00 178.21 3dui s ILE 86 N -1.35 0.46 -0.03 2.83 -4.36 0.70 -4.93 121.20 114.51 3dui s ILE 86 Ca 0.44 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 58.92 3dui s ILE 86 Cb -0.23 -1.80 0.03 0.00 1.25 0.00 0.00 42.46 41.71 3dui s ILE 86 CO 0.28 -0.75 0.00 -1.61 0.24 0.00 0.00 174.94 173.10 3dui s GLU 87 N -3.91 0.30 -0.03 0.37 2.02 -1.26 -1.99 118.70 114.20 3dui s GLU 87 Ca 0.15 0.10 0.02 0.00 0.02 0.00 0.00 54.97 55.26 3dui s GLU 87 Cb 0.07 -0.53 0.01 0.00 0.10 0.00 0.00 34.13 33.78 3dui s GLU 87 CO -0.03 -0.16 -0.07 0.42 0.02 0.00 0.00 175.26 175.44 3dui s ILE 88 N 1.17 0.65 -0.14 -1.63 1.01 0.12 -4.47 121.20 117.91 3dui s ILE 88 Ca -0.08 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.33 3dui s ILE 88 Cb -0.13 -0.59 0.01 0.00 0.01 0.00 0.00 42.46 41.75 3dui s ILE 88 CO -0.02 0.21 -0.22 -0.89 0.00 0.00 0.00 174.94 174.02 3dui s THR 89 N 0.30 2.04 -0.13 2.92 2.01 -0.75 0.70 115.64 122.74 3dui s THR 89 Ca -0.04 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 60.95 3dui s THR 89 Cb -0.09 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 3dui s THR 89 CO 0.00 0.55 0.01 -0.36 -0.69 0.00 0.00 174.62 174.13 3dui s PHE 90 N 0.81 3.17 0.24 4.92 0.40 0.11 -0.60 117.98 127.03 3dui s PHE 90 Ca -0.07 0.06 0.06 0.00 -0.60 0.00 0.00 56.93 56.38 3dui s PHE 90 Cb -0.16 -1.90 -0.05 0.00 0.51 0.00 0.00 43.02 41.42 3dui s PHE 90 CO -0.02 0.29 -0.07 -1.12 0.70 0.00 0.00 175.22 175.00 3dui s SER 91 N -0.31 2.47 -0.15 1.36 0.01 -0.28 -0.80 113.70 116.01 3dui s SER 91 Ca 0.07 -1.14 -0.11 0.00 1.31 0.00 0.00 55.95 56.07 3dui s SER 91 Cb -0.12 -0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.04 3dui s SER 91 CO 0.02 -0.33 0.38 -0.51 0.41 0.00 0.00 173.24 173.20 3dui s ILE 92 N -3.10 -0.01 0.27 1.44 2.07 -1.26 -0.71 121.20 119.89 3dui s ILE 92 Ca 0.27 0.04 0.03 0.00 -1.41 0.00 0.00 60.65 59.57 3dui s ILE 92 Cb 0.03 -0.54 -0.04 0.00 0.13 0.00 0.00 42.46 42.04 3dui s ILE 92 CO 0.09 0.02 0.18 0.54 -1.91 0.00 0.00 174.94 173.86 3dui s ASN 93 N 0.63 0.99 0.38 4.50 2.20 -0.58 -4.70 114.94 118.36 3dui s ASN 93 Ca -0.03 -1.54 0.13 0.00 -0.94 0.00 0.00 52.86 50.48 3dui s ASN 93 Cb -0.05 0.42 0.95 0.00 -2.00 0.00 0.00 41.25 40.58 3dui s ASN 93 CO -0.04 -0.91 1.83 -0.65 -2.94 0.00 0.00 177.10 174.39 3dui h PRO 94 N 2.37 0.53 0.02 3.55 0.11 -1.95 -3.19 132.00 133.44 3dui h PRO 94 Ca -0.32 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 3dui h PRO 94 Cb 1.24 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3dui h PRO 94 CO 0.48 0.35 -0.01 0.77 -0.21 0.00 0.00 178.00 179.39 3dui h SER 95 N 0.55 -0.02 -5.46 -2.05 0.02 -1.97 -3.44 113.55 101.18 3dui h SER 95 Ca 0.50 -0.49 -0.22 0.00 -0.84 0.00 0.00 61.79 60.74 3dui h SER 95 Cb 1.04 0.01 -0.09 0.00 0.14 0.00 0.00 62.40 63.50 3dui h SER 95 CO -0.24 0.71 -0.22 1.51 -1.14 0.00 0.00 176.83 177.46 3dui s ASP 96 N -5.84 0.58 -0.02 3.07 3.84 -1.21 -2.78 116.67 114.31 3dui s ASP 96 Ca -0.10 -1.34 0.02 0.00 -0.00 0.00 0.00 52.55 51.13 3dui s ASP 96 Cb -0.01 0.61 -0.03 0.00 -1.38 0.00 0.00 42.92 42.11 3dui s ASP 96 CO 0.36 -1.21 -0.04 -0.76 -0.00 0.00 0.00 175.17 173.52 3dui s LEU 97 N -3.17 3.29 -0.11 2.11 1.43 0.48 -1.52 118.68 121.18 3dui s LEU 97 Ca 0.29 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 3dui s LEU 97 Cb 0.00 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 3dui s LEU 97 CO 0.17 0.31 -0.19 -0.89 0.23 0.00 0.00 176.35 175.97 3dui s THR 98 N -0.97 2.51 -0.34 5.49 2.01 0.11 -1.90 115.64 122.54 3dui s THR 98 Ca 0.16 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.22 3dui s THR 98 Cb -0.11 -2.00 0.03 0.00 0.01 0.00 0.00 72.50 70.43 3dui s THR 98 CO 0.06 0.55 0.13 -0.69 -0.69 0.00 0.00 174.62 173.98 3dui s VAL 99 N 0.28 4.01 -0.31 3.82 1.01 -0.20 -1.12 120.40 127.89 3dui s VAL 99 Ca -0.14 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 60.72 3dui s VAL 99 Cb -0.17 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 3dui s VAL 99 CO 0.07 -0.17 0.17 -2.28 0.00 0.00 0.00 175.10 172.89 3dui s HIS 100 N 1.45 3.18 0.34 5.22 2.46 0.23 -0.55 115.29 127.63 3dui s HIS 100 Ca -0.00 -0.37 0.09 0.00 0.47 0.00 0.00 55.06 55.24 3dui s HIS 100 Cb -0.19 -2.37 -0.06 0.00 -0.13 0.00 0.00 32.58 29.83 3dui s HIS 100 CO 0.04 -0.38 -0.03 -0.51 -2.47 0.00 0.00 174.74 171.39 3dui s LEU 101 N 1.66 2.90 -0.38 8.88 1.43 0.27 -1.80 118.68 131.63 3dui s LEU 101 Ca 0.05 -1.05 -0.29 0.00 -1.03 0.00 0.00 54.13 51.81 3dui s LEU 101 Cb -0.17 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.81 3dui s LEU 101 CO 0.08 -0.22 1.53 -2.84 0.23 0.00 0.00 176.35 175.13 3dui s PRO 102 N -3.68 3.52 0.00 1.29 0.02 -1.26 -2.42 135.00 132.47 3dui s PRO 102 Ca 0.34 1.11 0.00 0.00 0.02 0.00 0.00 61.00 62.46 3dui s PRO 102 Cb 0.01 -4.07 0.00 0.00 0.02 0.00 0.00 34.50 30.45 3dui s PRO 102 CO 0.18 -1.63 0.00 0.41 -0.33 0.00 0.00 177.00 175.63 3dui n GLY 103 N 5.16 1.21 3.16 0.52 0.00 -1.26 -5.06 105.19 108.92 3dui n GLY 103 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.24 -0.09 -0.08 1.61 3.76 -1.01 -5.14 115.29 112.10 3dui s HIS 104 Ca 0.00 0.13 0.01 0.00 -0.15 0.00 0.00 55.06 55.05 3dui s HIS 104 Cb 0.00 0.03 0.02 0.00 1.11 0.00 0.00 32.58 33.74 3dui s HIS 104 CO 0.00 -0.31 -0.08 -1.14 -0.85 0.00 0.00 174.74 172.37 3dui s GLN 105 N -1.16 1.32 0.20 1.40 0.74 -1.26 -0.56 119.66 120.34 3dui s GLN 105 Ca -0.12 -0.24 0.09 0.00 0.05 0.00 0.00 55.36 55.14 3dui s GLN 105 Cb -0.06 -1.28 -0.04 0.00 1.10 0.00 0.00 33.01 32.73 3dui s GLN 105 CO 0.02 -0.13 -0.06 -0.06 -0.55 0.00 0.00 175.29 174.52 3dui s PHE 106 N 1.19 2.69 0.12 1.67 0.08 0.29 -4.95 117.98 119.07 3dui s PHE 106 Ca -0.06 -0.20 0.10 0.00 0.12 0.00 0.00 56.93 56.88 3dui s PHE 106 Cb -0.14 -1.28 -0.04 0.00 -0.57 0.00 0.00 43.02 40.99 3dui s PHE 106 CO -0.02 0.54 -0.23 0.45 -0.10 0.00 0.00 175.22 175.86 3dui s SER 107 N -3.03 2.92 -0.09 1.36 0.15 -1.26 -1.03 113.70 112.71 3dui s SER 107 Ca 0.27 -0.74 -0.08 0.00 0.70 0.00 0.00 55.95 56.10 3dui s SER 107 Cb -0.08 -0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.07 3dui s SER 107 CO 0.17 0.10 0.24 0.12 1.20 0.00 0.00 173.24 175.08 3dui s PHE 108 N -1.21 -0.28 0.39 3.44 5.36 -0.80 -4.98 117.98 119.90 3dui s PHE 108 Ca 0.11 0.67 -0.27 0.00 -0.96 0.00 0.00 56.93 56.48 3dui s PHE 108 Cb -0.10 0.08 -0.10 0.00 -0.34 0.00 0.00 43.02 42.57 3dui s PHE 108 CO 0.05 -0.15 1.43 -1.25 -1.46 0.00 0.00 175.22 173.85 3dui s PRO 109 N 0.32 4.05 -1.36 10.12 0.04 -1.26 -0.39 135.00 146.51 3dui s PRO 109 Ca -0.02 2.45 -0.15 0.00 0.04 0.00 0.00 61.00 63.33 3dui s PRO 109 Cb -0.03 -2.90 0.08 0.00 0.04 0.00 0.00 34.50 31.68 3dui s PRO 109 CO -0.01 -0.54 1.96 -1.71 0.04 0.00 0.00 177.00 176.74 3dui n ASN 110 N 0.35 4.49 -0.09 6.66 2.85 -1.12 -4.68 115.26 123.73 3dui n ASN 110 Ca 0.02 -2.91 -0.08 0.00 -0.11 0.00 0.00 54.58 51.50 3dui n ASN 110 Cb 0.40 -1.66 -0.00 0.00 1.24 0.00 0.00 39.78 39.76 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 6.57 0.31 -0.00 1.20 3.08 -1.89 -2.93 114.38 120.72 3dui h ARG 111 Ca 0.49 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.52 3dui h ARG 111 Cb 0.73 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3dui h ARG 111 CO 1.66 0.21 -0.04 1.28 -1.07 0.00 0.00 179.97 182.00 3dui n LEU 112 N -4.96 0.50 -2.96 3.04 4.32 -1.26 -4.93 117.00 110.75 3dui n LEU 112 Ca -0.00 -0.09 -0.18 0.00 -0.02 0.00 0.00 56.01 55.72 3dui n LEU 112 Cb 0.07 -0.09 0.07 0.00 -1.62 0.00 0.00 43.42 41.85 3dui n LEU 112 CO 0.31 0.09 0.17 0.61 -1.22 0.00 0.00 177.39 177.35 3dui n GLY 113 N 1.16 -0.23 3.83 -0.72 0.00 -1.11 -5.00 105.19 103.13 3dui n GLY 113 Ca 0.19 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.91 3.62 -0.20 0.99 1.43 -1.26 -5.00 118.68 112.35 3dui s LEU 114 Ca 0.36 1.63 0.12 0.00 -1.03 0.00 0.00 54.13 55.20 3dui s LEU 114 Cb -0.16 -4.52 -0.21 0.00 0.03 0.00 0.00 46.19 41.34 3dui s LEU 114 CO 0.58 -0.68 -0.03 -1.20 0.23 0.00 0.00 176.35 175.25 3dui n SER 115 N -1.60 0.95 -3.66 2.29 7.64 -1.26 -4.78 113.62 113.20 3dui n SER 115 Ca 0.07 -0.04 -0.13 0.00 1.01 0.00 0.00 58.87 59.78 3dui n SER 115 Cb 0.54 0.51 -0.06 0.00 -1.01 0.00 0.00 64.21 64.19 3dui n SER 115 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3dui s VAL 116 N -2.47 0.00 -0.32 0.44 -7.23 -1.26 -4.68 120.40 104.88 3dui s VAL 116 Ca -0.17 -1.64 -0.11 0.00 -1.81 0.00 0.00 61.98 58.24 3dui s VAL 116 Cb 0.07 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 3dui s VAL 116 CO 0.70 0.00 0.20 -0.36 -0.31 0.00 0.00 175.10 175.33 3dui s PHE 117 N -3.57 3.21 -0.21 2.82 2.99 -1.26 -4.65 117.98 117.31 3dui s PHE 117 Ca 0.30 -0.25 0.08 0.00 0.00 0.00 0.00 56.93 57.06 3dui s PHE 117 Cb 0.01 -2.42 -0.10 0.00 0.00 0.00 0.00 43.02 40.51 3dui s PHE 117 CO 0.16 -0.35 0.26 -0.25 -0.00 0.00 0.00 175.22 175.04 3dui n ASP 118 N 5.06 1.61 -4.11 1.36 8.00 0.07 -3.70 116.55 124.84 3dui n ASP 118 Ca -0.13 -0.38 -0.22 0.00 0.71 0.00 0.00 54.79 54.77 3dui n ASP 118 Cb 0.50 1.16 -0.15 0.00 -0.02 0.00 0.00 41.12 42.61 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 -2.08 1.24 -0.17 1.24 6.14 -0.39 -0.49 117.35 122.84 3dui s TYR 119 Ca 0.00 -0.25 -0.11 0.00 0.64 0.00 0.00 57.07 57.35 3dui s TYR 119 Cb 0.05 -0.79 0.05 0.00 0.42 0.00 0.00 41.96 41.70 3dui s TYR 119 CO 0.32 -0.01 0.41 0.12 0.64 0.00 0.00 175.55 177.03 3dui s PHE 120 N -0.41 -0.56 0.16 4.97 2.19 -0.68 -2.15 117.98 121.50 3dui s PHE 120 Ca 0.05 1.24 -0.08 0.00 0.33 0.00 0.00 56.93 58.47 3dui s PHE 120 Cb -0.06 0.23 -0.01 0.00 -1.31 0.00 0.00 43.02 41.87 3dui s PHE 120 CO -0.00 -0.31 0.25 0.16 1.83 0.00 0.00 175.22 177.15 3dui s ASP 121 N 1.05 0.08 -0.03 6.13 3.84 -0.69 -0.11 116.67 126.94 3dui s ASP 121 Ca -0.07 -0.91 -0.29 0.00 -0.00 0.00 0.00 52.55 51.28 3dui s ASP 121 Cb -0.07 0.41 0.08 0.00 -1.38 0.00 0.00 42.92 41.97 3dui s ASP 121 CO -0.09 -0.86 0.75 0.28 -0.00 0.00 0.00 175.17 175.25 3dui s THR 122 N -3.98 0.00 0.33 2.11 -1.32 -0.87 -1.02 115.64 110.90 3dui s THR 122 Ca 0.18 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.47 3dui s THR 122 Cb 0.04 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.07 3dui s THR 122 CO -0.00 0.00 0.77 -1.38 -2.21 0.00 0.00 174.62 171.80 3dui s HIS 123 N -1.78 -0.02 0.00 9.09 -3.43 -1.07 -3.20 115.29 114.88 3dui s HIS 123 Ca -0.06 -0.56 0.00 0.00 -0.80 0.00 0.00 55.06 53.65 3dui s HIS 123 Cb -0.00 0.78 0.00 0.00 -1.43 0.00 0.00 32.58 31.92 3dui s HIS 123 CO 0.03 -1.40 0.00 0.41 -2.00 0.00 0.00 174.74 171.78 3dui n GLY 124 N -0.51 -1.44 2.22 -1.38 0.00 -1.26 -1.53 105.19 101.29 3dui n GLY 124 Ca -0.06 -2.01 -0.26 0.00 0.00 0.00 0.00 46.02 43.68 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 0.00 6.84 -3.81 1.61 8.00 -0.18 -4.80 116.55 124.23 3dui n ASP 125 Ca 0.00 -2.68 -0.13 0.00 0.71 0.00 0.00 54.79 52.69 3dui n ASP 125 Cb 0.00 -1.43 -0.13 0.00 -0.02 0.00 0.00 41.12 39.54 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 0.76 -0.17 -0.29 1.24 5.36 -1.26 -1.31 117.98 122.31 3dui s PHE 126 Ca 0.65 0.43 -0.03 0.00 -0.96 0.00 0.00 56.93 57.02 3dui s PHE 126 Cb 0.27 0.04 0.03 0.00 -0.34 0.00 0.00 43.02 43.03 3dui s PHE 126 CO -0.06 -0.09 0.01 0.99 -1.46 0.00 0.00 175.22 174.61 3dui s THR 127 N 0.23 3.25 0.36 0.12 2.01 0.49 -4.87 115.64 117.22 3dui s THR 127 Ca -0.01 -1.11 -0.27 0.00 0.31 0.00 0.00 61.69 60.61 3dui s THR 127 Cb -0.02 -2.76 -0.09 0.00 0.01 0.00 0.00 72.50 69.63 3dui s THR 127 CO -0.01 0.01 1.14 -0.22 -0.69 0.00 0.00 174.62 174.85 3dui s LEU 128 N 1.34 4.32 0.00 4.42 2.96 -1.26 -0.94 118.68 129.52 3dui s LEU 128 Ca -0.02 2.31 0.00 0.00 -0.22 0.00 0.00 54.13 56.21 3dui s LEU 128 Cb -0.18 -3.89 0.00 0.00 0.50 0.00 0.00 46.19 42.62 3dui s LEU 128 CO -0.01 -0.47 0.02 -2.11 -1.32 0.00 0.00 176.35 172.47 3dui n ARG 129 N 0.47 1.14 -3.63 1.98 1.85 -0.08 -4.93 116.66 113.46 3dui n ARG 129 Ca 0.02 -0.02 -0.09 0.00 -1.00 0.00 0.00 57.85 56.76 3dui n ARG 129 Cb 0.46 -0.22 -0.07 0.00 -1.05 0.00 0.00 32.46 31.58 3dui n ARG 129 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3dui s SER 130 N -0.17 -0.43 -0.06 2.89 0.15 -1.04 -4.98 113.70 110.06 3dui s SER 130 Ca 0.00 0.82 -0.02 0.00 0.70 0.00 0.00 55.95 57.45 3dui s SER 130 Cb 0.00 0.82 0.03 0.00 -1.71 0.00 0.00 66.02 65.17 3dui s SER 130 CO 0.00 -0.16 0.05 -0.69 1.20 0.00 0.00 173.24 173.64 3dui s VAL 131 N 0.15 0.00 0.04 4.45 1.01 -1.26 -1.65 120.40 123.14 3dui s VAL 131 Ca 0.03 0.30 -0.08 0.00 0.00 0.00 0.00 61.98 62.23 3dui s VAL 131 Cb -0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 36.38 36.05 3dui s VAL 131 CO -0.06 0.15 0.16 -0.94 0.00 0.00 0.00 175.10 174.41 3dui s SER 132 N 2.12 0.08 0.05 3.32 1.04 -0.79 -5.01 113.70 114.51 3dui s SER 132 Ca 0.05 -0.43 -0.06 0.00 0.48 0.00 0.00 55.95 55.98 3dui s SER 132 Cb -0.13 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.25 3dui s SER 132 CO -0.04 -0.54 0.12 -1.66 0.98 0.00 0.00 173.24 172.10 3dui s TRP 133 N -2.60 0.19 0.00 5.02 -2.14 -1.26 -0.36 118.94 117.79 3dui s TRP 133 Ca -0.05 -0.51 0.00 0.00 2.66 0.00 0.00 56.10 58.20 3dui s TRP 133 Cb -0.01 -0.13 0.00 0.00 -3.10 0.00 0.00 33.47 30.23 3dui s TRP 133 CO -0.04 -0.41 0.00 -0.85 -2.66 0.00 0.00 176.95 172.99