#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 8paz s ASN 2 N 0.00 4.28 -0.12 4.31 2.47 -1.26 -1.51 114.94 123.10 8paz s ASN 2 Ca 0.00 -0.16 0.02 0.00 0.42 0.00 0.00 52.86 53.14 8paz s ASN 2 Cb 0.00 -0.95 0.01 0.00 -1.45 0.00 0.00 41.25 38.86 8paz s ASN 2 CO 0.00 0.33 -0.19 -0.63 -3.72 0.00 0.00 177.10 172.89 8paz s ILE 3 N -0.81 1.83 -0.09 -5.21 1.09 -0.56 -4.97 121.20 112.47 8paz s ILE 3 Ca 0.13 -0.84 -0.13 0.00 -1.10 0.00 0.00 60.65 58.70 8paz s ILE 3 Cb -0.11 -1.63 -0.05 0.00 -1.06 0.00 0.00 42.46 39.61 8paz s ILE 3 CO 0.02 0.51 0.32 -1.61 -0.10 0.00 0.00 174.94 174.08 8paz s GLU 4 N 0.84 3.99 -0.05 2.79 2.02 -1.26 -0.66 118.70 126.37 8paz s GLU 4 Ca -0.08 0.19 0.04 0.00 0.02 0.00 0.00 54.97 55.14 8paz s GLU 4 Cb -0.15 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.77 8paz s GLU 4 CO -0.01 0.50 -0.16 0.08 0.02 0.00 0.00 175.26 175.69 8paz s VAL 5 N -0.36 1.39 -0.10 2.63 1.01 0.37 -4.55 120.40 120.80 8paz s VAL 5 Ca 0.19 -0.67 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 8paz s VAL 5 Cb -0.14 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 8paz s VAL 5 CO 0.08 0.40 0.18 -1.00 0.00 0.00 0.00 175.10 174.76 8paz s HIS 6 N 0.22 3.62 -0.31 5.22 3.76 0.48 -0.26 115.29 128.02 8paz s HIS 6 Ca -0.08 0.59 -0.10 0.00 -0.15 0.00 0.00 55.06 55.33 8paz s HIS 6 Cb -0.13 -1.99 -0.01 0.00 1.11 0.00 0.00 32.58 31.56 8paz s HIS 6 CO 0.03 0.72 0.16 -1.64 -0.85 0.00 0.00 174.74 173.16 8paz s MET 7 N -1.05 3.40 0.12 1.40 -1.94 -0.23 -0.99 119.30 120.00 8paz s MET 7 Ca 0.16 -0.68 0.05 0.00 -1.71 0.00 0.00 55.69 53.52 8paz s MET 7 Cb -0.13 -3.57 -0.04 0.00 2.01 0.00 0.00 34.83 33.10 8paz s MET 7 CO 0.06 -0.39 -0.13 -0.51 -0.01 0.00 0.00 175.02 174.03 8paz s LEU 8 N 1.63 2.41 0.29 -0.03 1.43 -0.62 -2.71 118.68 121.08 8paz s LEU 8 Ca 0.05 -0.82 0.14 0.00 -1.03 0.00 0.00 54.13 52.46 8paz s LEU 8 Cb -0.17 -0.50 0.36 0.00 0.03 0.00 0.00 46.19 45.91 8paz s LEU 8 CO 0.07 -0.17 1.59 0.78 0.23 0.00 0.00 176.35 178.84 8paz h ASN 9 N 3.48 0.00 -3.57 2.29 2.35 -1.91 -1.63 115.58 116.60 8paz h ASN 9 Ca -0.39 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.24 8paz h ASN 9 Cb 1.19 0.00 -0.25 0.00 0.05 0.00 0.00 38.32 39.31 8paz h ASN 9 CO 0.52 0.57 -0.28 -0.75 -1.65 0.00 0.00 177.43 175.84 8paz s LYS 10 N -3.40 0.43 0.00 0.81 2.36 -1.26 -0.55 119.74 118.13 8paz s LYS 10 Ca 0.00 0.66 0.00 0.00 -2.55 0.00 0.00 55.97 54.08 8paz s LYS 10 Cb 0.11 0.10 0.00 0.00 -1.05 0.00 0.00 37.83 36.99 8paz s LYS 10 CO 0.74 -0.10 0.00 0.41 1.55 0.00 0.00 175.35 177.95 8paz n GLY 11 N 3.53 4.08 0.36 5.54 0.00 0.42 -4.95 105.19 114.17 8paz n GLY 11 Ca -0.18 -1.08 0.05 0.00 0.00 0.00 0.00 46.02 44.81 8paz n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8paz h ALA 12 N 1.51 1.63 -0.01 4.61 0.00 -2.01 -2.66 119.26 122.33 8paz h ALA 12 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 8paz h ALA 12 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 8paz h ALA 12 CO 0.00 0.26 -0.16 0.39 0.00 0.00 0.00 179.25 179.74 8paz n GLU 13 N -4.48 0.97 0.00 0.00 -0.58 -1.26 -5.05 120.64 110.24 8paz n GLU 13 Ca 0.11 -0.51 0.00 0.00 -0.42 0.00 0.00 57.16 56.35 8paz n GLU 13 Cb 0.20 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 8paz n GLU 13 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 8paz n GLY 14 N 1.28 0.45 3.83 0.62 0.00 -1.00 -5.08 105.19 105.29 8paz n GLY 14 Ca 0.14 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.95 8paz n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8paz s ALA 15 N -1.62 3.16 -0.42 4.61 0.00 -1.26 -0.43 121.76 125.80 8paz s ALA 15 Ca 0.00 0.24 -0.17 0.00 0.00 0.00 0.00 51.96 52.02 8paz s ALA 15 Cb 0.00 -2.98 0.02 0.00 0.00 0.00 0.00 23.12 20.16 8paz s ALA 15 CO 0.00 0.20 0.55 -1.33 0.00 0.00 0.00 175.76 175.18 8paz n MET 16 N -0.56 -2.40 -4.14 0.00 2.81 0.29 -4.84 117.12 108.28 8paz n MET 16 Ca 0.05 2.09 -0.11 0.00 -1.81 0.00 0.00 57.70 57.92 8paz n MET 16 Cb 0.54 -5.16 -0.10 0.00 -0.71 0.00 0.00 33.22 27.78 8paz n MET 16 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 8paz s VAL 17 N -2.37 0.64 -0.13 2.03 -7.23 -0.61 -3.62 120.40 109.11 8paz s VAL 17 Ca 0.24 -1.72 -0.07 0.00 -1.81 0.00 0.00 61.98 58.63 8paz s VAL 17 Cb -0.06 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 8paz s VAL 17 CO 0.77 -0.75 0.11 -0.36 -0.31 0.00 0.00 175.10 174.56 8paz s PHE 18 N -3.07 3.50 -0.15 2.82 0.08 -1.26 -1.58 117.98 118.31 8paz s PHE 18 Ca 0.06 0.44 -0.01 0.00 0.12 0.00 0.00 56.93 57.54 8paz s PHE 18 Cb 0.02 -1.94 0.04 0.00 -0.57 0.00 0.00 43.02 40.56 8paz s PHE 18 CO -0.04 0.63 -0.03 -1.21 -0.10 0.00 0.00 175.22 174.47 8paz s GLU 19 N -0.81 1.19 0.73 0.44 2.02 -0.16 -3.14 118.70 118.97 8paz s GLU 19 Ca 0.13 -0.39 -0.11 0.00 0.02 0.00 0.00 54.97 54.63 8paz s GLU 19 Cb -0.12 -1.83 0.03 0.00 0.10 0.00 0.00 34.13 32.31 8paz s GLU 19 CO 0.03 -0.43 1.08 -1.25 0.02 0.00 0.00 175.26 174.71 8paz s PRO 20 N 1.73 2.62 0.00 0.39 0.04 -1.26 -0.39 135.00 138.13 8paz s PRO 20 Ca 0.01 0.66 0.19 0.00 0.04 0.00 0.00 61.00 61.90 8paz s PRO 20 Cb -0.15 -1.98 0.09 0.00 0.04 0.00 0.00 34.50 32.50 8paz s PRO 20 CO -0.07 -1.25 1.04 0.00 0.04 0.00 0.00 177.00 176.76 8paz n ALA 21 N -3.18 2.81 -4.00 8.56 0.00 -1.19 -4.82 120.51 118.70 8paz n ALA 21 Ca 0.07 -0.62 -0.29 0.00 0.00 0.00 0.00 53.44 52.59 8paz n ALA 21 Cb 0.56 -0.65 -0.17 0.00 0.00 0.00 0.00 19.45 19.19 8paz n ALA 21 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 8paz s TYR 22 N -1.82 2.05 -0.12 0.00 5.04 -1.26 -0.22 117.35 121.02 8paz s TYR 22 Ca 0.20 -1.15 0.02 0.00 -2.44 0.00 0.00 57.07 53.70 8paz s TYR 22 Cb 0.16 -1.53 0.01 0.00 0.35 0.00 0.00 41.96 40.95 8paz s TYR 22 CO 0.33 -0.65 -0.17 0.42 -1.34 0.00 0.00 175.55 174.15 8paz s ILE 23 N 1.53 1.66 -0.21 3.14 1.09 -0.07 -4.99 121.20 123.36 8paz s ILE 23 Ca 0.05 -0.74 -0.09 0.00 -1.10 0.00 0.00 60.65 58.77 8paz s ILE 23 Cb -0.13 -1.50 -0.04 0.00 -1.06 0.00 0.00 42.46 39.72 8paz s ILE 23 CO -0.10 0.47 0.10 -0.75 -0.10 0.00 0.00 174.94 174.56 8paz s LYS 24 N 0.96 4.03 0.24 2.79 2.36 -1.26 -0.45 119.74 128.41 8paz s LYS 24 Ca -0.06 -0.30 -0.06 0.00 -2.55 0.00 0.00 55.97 52.99 8paz s LYS 24 Cb -0.15 -3.35 -0.02 0.00 -1.05 0.00 0.00 37.83 33.26 8paz s LYS 24 CO -0.02 0.20 0.33 0.00 1.55 0.00 0.00 175.35 177.41 8paz s ALA 25 N 0.62 0.50 0.25 3.13 0.00 -0.16 -4.96 121.76 121.14 8paz s ALA 25 Ca 0.06 -1.31 0.10 0.00 0.00 0.00 0.00 51.96 50.80 8paz s ALA 25 Cb -0.12 1.22 -0.05 0.00 0.00 0.00 0.00 23.12 24.17 8paz s ALA 25 CO 0.01 -0.74 -0.17 -0.80 0.00 0.00 0.00 175.76 174.06 8paz s ASN 26 N -3.11 3.13 0.21 0.00 -0.87 -1.26 -1.74 114.94 111.30 8paz s ASN 26 Ca 0.30 -1.03 -0.32 0.00 -1.57 0.00 0.00 52.86 50.24 8paz s ASN 26 Cb 0.02 -0.23 -0.12 0.00 -0.02 0.00 0.00 41.25 40.91 8paz s ASN 26 CO 0.12 -0.06 1.68 -2.65 -2.57 0.00 0.00 177.10 173.62 8paz n PRO 27 N -0.51 2.65 0.00 -0.60 -0.02 -1.26 -1.47 135.00 133.79 8paz n PRO 27 Ca -0.06 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 8paz n PRO 27 Cb 0.60 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 8paz n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 8paz n GLY 28 N 3.61 2.86 3.77 -1.23 0.00 0.48 -4.99 105.19 109.69 8paz n GLY 28 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 8paz n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 8paz s ASP 29 N -0.89 4.19 0.17 1.61 1.01 -0.54 -4.65 116.67 117.57 8paz s ASP 29 Ca 0.00 1.50 0.11 0.00 0.71 0.00 0.00 52.55 54.87 8paz s ASP 29 Cb 0.00 -2.23 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 8paz s ASP 29 CO 0.00 -2.19 -0.23 0.42 0.21 0.00 0.00 175.17 173.38 8paz s THR 30 N -3.01 2.46 -0.16 -1.27 -4.23 -0.57 -1.85 115.64 107.01 8paz s THR 30 Ca 0.62 -1.89 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 8paz s THR 30 Cb -0.16 -2.16 0.02 0.00 1.34 0.00 0.00 72.50 71.54 8paz s THR 30 CO 0.56 -0.05 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.72 8paz s VAL 31 N -1.49 1.87 -0.26 2.29 1.01 0.59 -1.49 120.40 122.92 8paz s VAL 31 Ca 0.19 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 8paz s VAL 31 Cb -0.09 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 8paz s VAL 31 CO 0.09 0.51 0.09 -0.89 0.00 0.00 0.00 175.10 174.91 8paz s THR 32 N 1.31 4.48 -0.27 3.92 2.01 0.16 -0.33 115.64 126.94 8paz s THR 32 Ca 0.04 -0.13 -0.12 0.00 0.31 0.00 0.00 61.69 61.78 8paz s THR 32 Cb -0.13 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.22 8paz s THR 32 CO -0.11 0.31 0.24 -0.36 -0.69 0.00 0.00 174.62 174.01 8paz s PHE 33 N 1.64 3.25 -0.20 4.92 0.40 0.63 -0.48 117.98 128.15 8paz s PHE 33 Ca 0.06 0.24 -0.04 0.00 -0.60 0.00 0.00 56.93 56.59 8paz s PHE 33 Cb -0.15 -2.42 -0.02 0.00 0.51 0.00 0.00 43.02 40.94 8paz s PHE 33 CO 0.05 -0.13 -0.02 0.42 0.70 0.00 0.00 175.22 176.24 8paz s ILE 34 N 1.69 3.76 -1.19 0.64 1.01 0.64 -1.74 121.20 126.01 8paz s ILE 34 Ca 0.10 -0.38 -0.19 0.00 0.00 0.00 0.00 60.65 60.18 8paz s ILE 34 Cb -0.15 -2.69 0.09 0.00 0.01 0.00 0.00 42.46 39.71 8paz s ILE 34 CO 0.09 0.44 1.57 -2.16 0.00 0.00 0.00 174.94 174.89 8paz s PRO 35 N 1.01 3.88 0.19 2.79 0.04 -1.26 -1.06 135.00 140.58 8paz s PRO 35 Ca 0.01 -1.86 -0.10 0.00 0.04 0.00 0.00 61.00 59.10 8paz s PRO 35 Cb -0.14 -5.37 0.11 0.00 0.04 0.00 0.00 34.50 29.13 8paz s PRO 35 CO 0.01 -2.13 1.74 0.28 0.04 0.00 0.00 177.00 176.94 8paz h VAL 36 N 5.75 1.25 -3.37 -0.36 2.07 -1.91 -3.42 116.25 116.25 8paz h VAL 36 Ca 0.34 -0.81 -0.65 0.00 0.82 0.00 0.00 66.70 66.41 8paz h VAL 36 Cb 0.92 0.48 -0.14 0.00 -1.52 0.00 0.00 31.29 31.03 8paz h VAL 36 CO 1.39 0.32 -0.70 -1.81 0.02 0.00 0.00 177.57 176.79 8paz s ASP 37 N -6.25 4.63 0.72 0.57 1.01 -1.10 -5.06 116.67 111.20 8paz s ASP 37 Ca -0.13 -0.33 -0.11 0.00 0.71 0.00 0.00 52.55 52.69 8paz s ASP 37 Cb 0.14 -0.97 0.03 0.00 1.01 0.00 0.00 42.92 43.13 8paz s ASP 37 CO 0.82 0.16 1.09 -0.54 0.21 0.00 0.00 175.17 176.91 8paz s LYS 38 N -2.38 2.70 0.00 8.23 -0.14 -1.26 -4.42 119.74 122.48 8paz s LYS 38 Ca 0.24 0.58 0.00 0.00 -1.36 0.00 0.00 55.97 55.43 8paz s LYS 38 Cb -0.11 -1.99 0.00 0.00 -1.68 0.00 0.00 37.83 34.05 8paz s LYS 38 CO 0.16 -1.17 0.00 0.41 -0.76 0.00 0.00 175.35 173.99 8paz n GLY 39 N -2.62 0.96 3.47 -3.33 0.00 -1.26 -4.94 105.19 97.46 8paz n GLY 39 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 8paz n GLY 39 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 8paz s HIS 40 N -2.00 2.16 0.11 1.61 3.76 -1.26 -4.82 115.29 114.85 8paz s HIS 40 Ca 0.00 -0.53 -0.03 0.00 -0.15 0.00 0.00 55.06 54.36 8paz s HIS 40 Cb 0.00 -1.14 0.01 0.00 1.11 0.00 0.00 32.58 32.56 8paz s HIS 40 CO 0.00 0.50 0.19 0.27 -0.85 0.00 0.00 174.74 174.85 8paz n ASN 41 N -0.64 -0.55 -3.99 1.40 6.94 -1.26 -1.07 115.26 116.09 8paz n ASN 41 Ca -0.05 -1.53 -0.17 0.00 -0.02 0.00 0.00 54.58 52.81 8paz n ASN 41 Cb 0.62 0.96 -0.15 0.00 -2.36 0.00 0.00 39.78 38.86 8paz n ASN 41 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 8paz s VAL 42 N -2.64 0.55 -0.07 3.53 -7.23 -1.26 -4.09 120.40 109.19 8paz s VAL 42 Ca 0.07 -0.29 -0.05 0.00 -1.81 0.00 0.00 61.98 59.90 8paz s VAL 42 Cb -0.01 -0.47 0.03 0.00 0.56 0.00 0.00 36.38 36.49 8paz s VAL 42 CO 0.05 0.16 0.18 -0.70 -0.31 0.00 0.00 175.10 174.47 8paz s GLU 43 N -0.13 0.16 0.44 4.82 2.12 0.45 -0.34 118.70 126.22 8paz s GLU 43 Ca 0.02 0.34 -0.23 0.00 0.36 0.00 0.00 54.97 55.46 8paz s GLU 43 Cb -0.03 -0.05 -0.08 0.00 0.26 0.00 0.00 34.13 34.23 8paz s GLU 43 CO -0.00 -0.10 1.14 -1.54 -0.54 0.00 0.00 175.26 174.22 8paz s SER 44 N 0.71 6.35 -0.04 -1.70 1.04 -0.46 -0.77 113.70 118.83 8paz s SER 44 Ca -0.05 2.25 -0.15 0.00 0.48 0.00 0.00 55.95 58.48 8paz s SER 44 Cb -0.07 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.40 8paz s SER 44 CO -0.04 -0.79 0.40 -0.63 0.98 0.00 0.00 173.24 173.16 8paz s ILE 45 N -1.56 5.09 0.27 -1.02 1.01 -1.06 -4.82 121.20 119.11 8paz s ILE 45 Ca 0.61 0.82 -0.30 0.00 0.00 0.00 0.00 60.65 61.78 8paz s ILE 45 Cb -0.27 -3.72 -0.11 0.00 0.01 0.00 0.00 42.46 38.37 8paz s ILE 45 CO 0.34 0.52 1.60 -1.59 0.00 0.00 0.00 174.94 175.80 8paz s LYS 46 N -0.63 4.14 -0.61 2.79 0.00 -1.26 -1.54 119.74 122.62 8paz s LYS 46 Ca 0.23 2.55 0.00 0.00 0.00 0.00 0.00 55.97 58.75 8paz s LYS 46 Cb -0.16 -3.04 0.00 0.00 0.00 0.00 0.00 37.83 34.63 8paz s LYS 46 CO 0.12 -0.63 0.00 -0.25 0.00 0.00 0.00 175.35 174.59 8paz n ASP 47 N 2.51 -4.64 -1.47 0.03 8.00 -1.26 -4.85 116.55 114.87 8paz n ASP 47 Ca 0.09 0.14 -0.06 0.00 0.71 0.00 0.00 54.79 55.68 8paz n ASP 47 Cb 0.37 -2.65 0.10 0.00 -0.02 0.00 0.00 41.12 38.93 8paz n ASP 47 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 8paz n MET 48 N -1.57 2.14 -4.16 -1.24 2.81 -0.59 -4.93 117.12 109.57 8paz n MET 48 Ca -0.06 -3.48 -0.10 0.00 -1.81 0.00 0.00 57.70 52.25 8paz n MET 48 Cb 0.35 -1.65 -0.10 0.00 -0.71 0.00 0.00 33.22 31.10 8paz n MET 48 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 8paz s ILE 49 N -3.39 0.65 0.82 2.02 -0.00 -1.26 -0.67 121.20 119.37 8paz s ILE 49 Ca 0.41 -1.91 -0.11 0.00 -0.00 0.00 0.00 60.65 59.05 8paz s ILE 49 Cb 0.38 -1.65 0.08 0.00 -0.00 0.00 0.00 42.46 41.28 8paz s ILE 49 CO -0.04 -0.87 1.10 -2.84 -0.00 0.00 0.00 174.94 172.29 8paz s PRO 50 N -3.79 1.89 0.26 0.37 0.02 -1.24 -4.93 135.00 127.57 8paz s PRO 50 Ca 0.11 1.17 -0.30 0.00 0.02 0.00 0.00 61.00 62.00 8paz s PRO 50 Cb 0.05 -1.85 -0.10 0.00 0.02 0.00 0.00 34.50 32.62 8paz s PRO 50 CO -0.05 -1.90 1.33 -2.00 -0.33 0.00 0.00 177.00 174.04 8paz s GLU 51 N -4.87 4.36 0.00 5.54 2.12 -1.26 -1.94 118.70 122.66 8paz s GLU 51 Ca 0.62 2.16 0.00 0.00 0.36 0.00 0.00 54.97 58.11 8paz s GLU 51 Cb -0.18 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.08 8paz s GLU 51 CO 0.57 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 175.45 8paz n GLY 52 N 1.75 2.50 3.82 -1.50 0.00 -1.26 -5.00 105.19 105.51 8paz n GLY 52 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 8paz n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8paz s ALA 53 N -2.44 2.97 0.14 4.61 0.00 -0.82 -4.97 121.76 121.26 8paz s ALA 53 Ca 0.00 0.36 -0.15 0.00 0.00 0.00 0.00 51.96 52.16 8paz s ALA 53 Cb 0.00 -3.17 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 8paz s ALA 53 CO 0.00 -0.23 0.56 -1.21 0.00 0.00 0.00 175.76 174.88 8paz s GLU 54 N -3.66 4.02 0.59 0.00 0.41 -1.26 -4.94 118.70 113.87 8paz s GLU 54 Ca 0.62 0.55 -0.16 0.00 -0.41 0.00 0.00 54.97 55.56 8paz s GLU 54 Cb -0.12 -2.97 -0.03 0.00 -1.78 0.00 0.00 34.13 29.23 8paz s GLU 54 CO 0.25 0.50 1.07 -1.59 -0.49 0.00 0.00 175.26 175.00 8paz s LYS 55 N -1.84 3.25 0.05 1.61 -2.85 -1.26 -5.04 119.74 113.66 8paz s LYS 55 Ca 0.37 1.30 -0.07 0.00 -1.00 0.00 0.00 55.97 56.56 8paz s LYS 55 Cb -0.16 -2.02 -0.01 0.00 -2.06 0.00 0.00 37.83 33.59 8paz s LYS 55 CO 0.19 -0.88 0.13 -0.59 0.10 0.00 0.00 175.35 174.30 8paz s PHE 56 N -2.33 0.18 -0.24 1.78 -0.71 -1.26 -5.01 117.98 110.40 8paz s PHE 56 Ca 0.65 -0.52 -0.11 0.00 -1.04 0.00 0.00 56.93 55.91 8paz s PHE 56 Cb -0.18 -0.12 0.09 0.00 -1.21 0.00 0.00 43.02 41.61 8paz s PHE 56 CO 0.36 -0.43 0.56 0.21 -1.34 0.00 0.00 175.22 174.57 8paz s LYS 57 N -3.07 0.52 0.48 1.99 2.20 -1.26 -1.36 119.74 119.25 8paz s LYS 57 Ca -0.01 1.14 0.04 0.00 -0.36 0.00 0.00 55.97 56.77 8paz s LYS 57 Cb 0.01 0.31 0.02 0.00 -1.51 0.00 0.00 37.83 36.66 8paz s LYS 57 CO -0.07 -0.18 0.67 -1.54 -0.36 0.00 0.00 175.35 173.87 8paz s SER 58 N 2.07 5.50 0.33 1.43 1.04 0.53 -5.00 113.70 119.60 8paz s SER 58 Ca -0.07 -0.15 -0.10 0.00 0.48 0.00 0.00 55.95 56.11 8paz s SER 58 Cb -0.09 -0.87 -0.07 0.00 0.10 0.00 0.00 66.02 65.10 8paz s SER 58 CO -0.17 -0.92 0.67 -0.54 0.98 0.00 0.00 173.24 173.27 8paz s LYS 59 N -4.56 3.79 0.20 4.02 1.02 -1.26 -4.56 119.74 118.39 8paz s LYS 59 Ca 0.55 0.36 -0.33 0.00 0.02 0.00 0.00 55.97 56.58 8paz s LYS 59 Cb -0.10 -2.50 -0.13 0.00 -0.52 0.00 0.00 37.83 34.58 8paz s LYS 59 CO 0.36 0.12 1.59 -0.89 -0.92 0.00 0.00 175.35 175.61 8paz n ILE 60 N -0.84 0.24 -0.97 2.17 2.08 -1.26 -2.09 119.36 118.69 8paz n ILE 60 Ca 0.01 -0.06 0.00 0.00 0.56 0.00 0.00 62.75 63.26 8paz n ILE 60 Cb 0.54 -1.68 0.00 0.00 -0.75 0.00 0.00 39.64 37.74 8paz n ILE 60 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 8paz n ASN 61 N 3.25 -0.95 -4.88 4.38 3.02 -0.23 -4.96 115.26 114.89 8paz n ASN 61 Ca 0.15 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.38 8paz n ASN 61 Cb 0.31 -0.39 -0.05 0.00 -0.61 0.00 0.00 39.78 39.05 8paz n ASN 61 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 8paz s GLU 62 N -0.12 3.70 -0.06 3.52 -1.05 -0.89 -4.80 118.70 119.01 8paz s GLU 62 Ca 0.00 0.08 -0.30 0.00 -0.15 0.00 0.00 54.97 54.60 8paz s GLU 62 Cb 0.00 -2.82 -0.04 0.00 -0.44 0.00 0.00 34.13 30.83 8paz s GLU 62 CO 0.00 0.45 1.31 1.21 0.95 0.00 0.00 175.26 179.18 8paz s ASN 63 N -2.26 6.93 -0.04 0.83 2.47 -1.26 -4.57 114.94 117.04 8paz s ASN 63 Ca 0.41 1.92 0.05 0.00 0.42 0.00 0.00 52.86 55.66 8paz s ASN 63 Cb -0.12 -2.55 -0.01 0.00 -1.45 0.00 0.00 41.25 37.12 8paz s ASN 63 CO 0.22 -0.69 -0.20 -0.47 -3.72 0.00 0.00 177.10 172.24 8paz s TYR 64 N 2.68 1.97 -0.25 0.43 5.04 -0.71 -4.96 117.35 121.54 8paz s TYR 64 Ca 0.59 -0.54 -0.02 0.00 -2.44 0.00 0.00 57.07 54.66 8paz s TYR 64 Cb -0.27 -1.30 0.02 0.00 0.35 0.00 0.00 41.96 40.76 8paz s TYR 64 CO 0.22 -0.16 -0.05 0.08 -1.34 0.00 0.00 175.55 174.31 8paz s VAL 65 N -0.12 2.97 -0.20 3.14 1.01 -1.26 -0.27 120.40 125.67 8paz s VAL 65 Ca -0.02 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 60.86 8paz s VAL 65 Cb -0.12 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 8paz s VAL 65 CO 0.02 0.20 0.24 -0.22 0.00 0.00 0.00 175.10 175.34 8paz s LEU 66 N 1.34 4.17 -0.19 3.92 2.96 0.56 -4.93 118.68 126.51 8paz s LEU 66 Ca 0.01 0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 54.12 8paz s LEU 66 Cb -0.17 -2.26 -0.05 0.00 0.50 0.00 0.00 46.19 44.22 8paz s LEU 66 CO -0.04 0.06 0.18 -0.89 -1.32 0.00 0.00 176.35 174.35 8paz s THR 67 N 0.84 5.38 -0.15 3.68 2.01 -1.26 -0.30 115.64 125.84 8paz s THR 67 Ca 0.12 0.30 -0.04 0.00 0.31 0.00 0.00 61.69 62.38 8paz s THR 67 Cb -0.13 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 8paz s THR 67 CO 0.04 0.43 -0.00 0.68 -0.69 0.00 0.00 174.62 175.07 8paz s VAL 68 N 0.37 4.20 -0.02 3.82 -7.23 -0.77 -4.97 120.40 115.80 8paz s VAL 68 Ca 0.11 -0.25 -0.03 0.00 -1.81 0.00 0.00 61.98 60.00 8paz s VAL 68 Cb -0.12 -2.85 -0.02 0.00 0.56 0.00 0.00 36.38 33.96 8paz s VAL 68 CO -0.00 0.50 -0.06 0.41 -0.31 0.00 0.00 175.10 175.64 8paz n THR 69 N 3.32 0.58 -2.63 5.32 -1.04 -1.26 -0.39 114.28 118.17 8paz n THR 69 Ca -0.17 0.07 -0.41 0.00 -2.04 0.00 0.00 64.05 61.50 8paz n THR 69 Cb 0.53 -1.61 -0.05 0.00 -1.82 0.00 0.00 70.33 67.38 8paz n THR 69 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 8paz s GLN 70 N -2.11 4.70 0.62 -2.82 -1.52 -1.26 -4.52 119.66 112.75 8paz s GLN 70 Ca -0.06 1.59 -0.15 0.00 -1.95 0.00 0.00 55.36 54.79 8paz s GLN 70 Cb 0.02 -3.30 -0.02 0.00 -0.22 0.00 0.00 33.01 29.49 8paz s GLN 70 CO 0.08 0.24 1.07 -1.25 -0.25 0.00 0.00 175.29 175.18 8paz s PRO 71 N -0.58 3.13 0.00 2.91 0.04 -1.26 -4.82 135.00 134.42 8paz s PRO 71 Ca 0.46 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.73 8paz s PRO 71 Cb -0.27 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.27 8paz s PRO 71 CO 0.33 -0.97 0.00 0.41 0.04 0.00 0.00 177.00 176.82 8paz n GLY 72 N -0.95 0.81 3.83 0.56 0.00 0.07 -4.81 105.19 104.71 8paz n GLY 72 Ca 0.09 -2.17 -0.32 0.00 0.00 0.00 0.00 46.02 43.62 8paz n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8paz s ALA 73 N -1.19 3.75 -0.08 4.61 0.00 -1.26 -0.79 121.76 126.79 8paz s ALA 73 Ca 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.09 8paz s ALA 73 Cb 0.00 -1.66 0.02 0.00 0.00 0.00 0.00 23.12 21.48 8paz s ALA 73 CO 0.00 0.75 -0.11 0.71 0.00 0.00 0.00 175.76 177.11 8paz s TYR 74 N -1.34 1.53 -0.24 0.00 1.51 0.65 -3.63 117.35 115.82 8paz s TYR 74 Ca 0.28 -0.65 -0.09 0.00 -1.01 0.00 0.00 57.07 55.60 8paz s TYR 74 Cb -0.12 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.52 8paz s TYR 74 CO 0.20 -0.37 0.12 -1.17 -1.11 0.00 0.00 175.55 173.22 8paz s LEU 75 N 1.00 3.83 0.18 -1.29 2.96 0.15 -0.78 118.68 124.73 8paz s LEU 75 Ca -0.08 -0.03 0.09 0.00 -0.22 0.00 0.00 54.13 53.89 8paz s LEU 75 Cb -0.15 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 8paz s LEU 75 CO -0.00 0.02 -0.10 0.68 -1.32 0.00 0.00 176.35 175.62 8paz s VAL 76 N 1.30 3.14 0.30 1.68 -7.23 -0.02 -2.57 120.40 117.01 8paz s VAL 76 Ca 0.06 -1.67 0.05 0.00 -1.81 0.00 0.00 61.98 58.61 8paz s VAL 76 Cb -0.15 -2.55 -0.06 0.00 0.56 0.00 0.00 36.38 34.18 8paz s VAL 76 CO 0.05 -0.10 0.01 -1.59 -0.31 0.00 0.00 175.10 173.16 8paz s LYS 77 N -2.79 1.59 -0.25 4.82 -2.85 0.05 -1.38 119.74 118.93 8paz s LYS 77 Ca 0.24 -1.85 -0.14 0.00 -1.00 0.00 0.00 55.97 53.22 8paz s LYS 77 Cb -0.09 -0.97 -0.04 0.00 -2.06 0.00 0.00 37.83 34.67 8paz s LYS 77 CO 0.15 -0.10 0.34 0.00 0.10 0.00 0.00 175.35 175.84 8paz h THR 79 N 5.26 0.38 0.00 0.00 2.02 -1.91 -0.98 112.91 117.69 8paz h THR 79 Ca -0.34 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.80 8paz h THR 79 Cb 1.16 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 8paz h THR 79 CO 0.65 0.00 -0.22 1.55 0.37 0.00 0.00 175.52 177.88 8paz h PRO 80 N -0.44 0.00 -0.23 6.66 0.13 -1.94 -3.28 132.00 132.90 8paz h PRO 80 Ca 0.06 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.18 8paz h PRO 80 Cb 0.51 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 8paz h PRO 80 CO -0.22 0.22 -0.00 0.72 -0.23 0.00 0.00 178.00 178.48 8paz n HIS 81 N -4.00 0.83 -0.21 1.56 8.25 -0.89 -4.64 115.22 116.12 8paz n HIS 81 Ca -0.02 -0.90 -0.04 0.00 -0.26 0.00 0.00 57.72 56.50 8paz n HIS 81 Cb 0.29 -0.30 0.06 0.00 1.12 0.00 0.00 29.99 31.17 8paz n HIS 81 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 8paz h TYR 82 N 1.57 0.67 0.00 4.41 3.20 -1.26 -1.53 116.97 124.03 8paz h TYR 82 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 8paz h TYR 82 Cb 1.40 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.45 8paz h TYR 82 CO 0.44 0.37 0.00 0.00 -1.64 0.00 0.00 178.16 177.34 8paz h ALA 83 N 1.27 1.00 -0.22 1.82 0.00 -1.87 -0.75 119.26 120.50 8paz h ALA 83 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 8paz h ALA 83 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 8paz h ALA 83 CO -0.11 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.81 8paz n MET 84 N -2.61 2.01 -0.01 0.00 2.81 -0.63 -4.82 117.12 113.87 8paz n MET 84 Ca 0.01 -1.52 0.00 0.00 -1.81 0.00 0.00 57.70 54.38 8paz n MET 84 Cb 0.23 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 8paz n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 8paz n GLY 85 N 1.27 0.96 3.51 3.03 0.00 -0.29 -4.85 105.19 108.82 8paz n GLY 85 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 8paz n GLY 85 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 8paz s MET 86 N -0.99 3.42 0.15 1.61 -2.45 -0.90 -4.82 119.30 115.32 8paz s MET 86 Ca 0.00 -1.04 -0.01 0.00 -1.25 0.00 0.00 55.69 53.39 8paz s MET 86 Cb 0.00 -4.80 -0.04 0.00 1.25 0.00 0.00 34.83 31.24 8paz s MET 86 CO 0.00 -2.02 0.06 0.96 1.05 0.00 0.00 175.02 175.07 8paz s ILE 87 N 4.40 0.18 0.01 10.11 -4.36 -1.26 -1.57 121.20 128.71 8paz s ILE 87 Ca 0.36 -1.93 -0.06 0.00 -0.26 0.00 0.00 60.65 58.76 8paz s ILE 87 Cb -0.06 -2.14 -0.00 0.00 1.25 0.00 0.00 42.46 41.51 8paz s ILE 87 CO -0.01 -0.39 0.11 0.00 0.24 0.00 0.00 174.94 174.89 8paz s ALA 88 N -4.00 -0.21 -0.19 2.27 0.00 -0.48 -4.44 121.76 114.71 8paz s ALA 88 Ca 0.26 -0.29 -0.03 0.00 0.00 0.00 0.00 51.96 51.91 8paz s ALA 88 Cb 0.07 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 8paz s ALA 88 CO 0.04 -0.23 -0.07 -1.17 0.00 0.00 0.00 175.76 174.33 8paz s LEU 89 N -1.57 2.88 -0.18 0.00 2.96 0.69 -0.84 118.68 122.63 8paz s LEU 89 Ca -0.13 -0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 53.38 8paz s LEU 89 Cb -0.06 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 8paz s LEU 89 CO -0.00 0.06 0.02 -0.63 -1.32 0.00 0.00 176.35 174.47 8paz s ILE 90 N 1.02 4.30 -0.27 6.68 1.01 0.04 -0.89 121.20 133.10 8paz s ILE 90 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.43 8paz s ILE 90 Cb -0.15 -2.93 0.03 0.00 0.01 0.00 0.00 42.46 39.43 8paz s ILE 90 CO -0.00 0.46 -0.04 0.00 0.00 0.00 0.00 174.94 175.36 8paz s ALA 91 N 0.55 2.74 -0.27 9.38 0.00 0.40 -0.25 121.76 134.31 8paz s ALA 91 Ca 0.00 -1.57 -0.08 0.00 0.00 0.00 0.00 51.96 50.31 8paz s ALA 91 Cb -0.14 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 8paz s ALA 91 CO 0.02 -0.99 0.09 0.08 0.00 0.00 0.00 175.76 174.97 8paz s VAL 92 N 1.30 4.34 0.00 0.00 1.01 0.03 -0.99 120.40 126.10 8paz s VAL 92 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.65 8paz s VAL 92 Cb -0.18 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.09 8paz s VAL 92 CO -0.03 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.91 8paz n GLY 93 N 4.93 -2.62 3.88 4.51 0.00 -0.71 -0.75 105.19 114.44 8paz n GLY 93 Ca -0.15 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 8paz n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 8paz s ASP 94 N -1.79 6.42 -0.65 1.61 1.01 -1.26 -4.55 116.67 117.46 8paz s ASP 94 Ca 0.00 1.11 -0.07 0.00 0.71 0.00 0.00 52.55 54.30 8paz s ASP 94 Cb 0.00 -2.32 0.01 0.00 1.01 0.00 0.00 42.92 41.62 8paz s ASP 94 CO 0.00 -0.50 0.43 -1.20 0.21 0.00 0.00 175.17 174.11 8paz n SER 95 N -1.74 -3.17 -4.68 0.27 7.64 -1.26 -4.78 113.62 105.90 8paz n SER 95 Ca 0.02 -0.75 -0.50 0.00 1.01 0.00 0.00 58.87 58.65 8paz n SER 95 Cb 0.54 -1.10 -0.05 0.00 -1.01 0.00 0.00 64.21 62.59 8paz n SER 95 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 8paz n PRO 96 N -2.53 1.92 0.27 1.43 -0.04 -1.26 -4.85 135.00 129.94 8paz n PRO 96 Ca -0.18 0.70 0.11 0.00 -0.04 0.00 0.00 63.50 64.09 8paz n PRO 96 Cb 0.46 -2.50 0.73 0.00 -0.04 0.00 0.00 33.50 32.14 8paz n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 8paz h ALA 97 N 8.37 1.66 -0.59 0.55 0.00 -1.92 -2.87 119.26 124.47 8paz h ALA 97 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 8paz h ALA 97 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 8paz h ALA 97 CO 0.94 0.07 0.00 0.27 0.00 0.00 0.00 179.25 180.53 8paz n ASN 98 N -4.11 3.67 -0.06 0.00 6.94 -1.26 -4.62 115.26 115.81 8paz n ASN 98 Ca -0.03 -1.99 -0.10 0.00 -0.02 0.00 0.00 54.58 52.44 8paz n ASN 98 Cb 0.14 -0.39 -0.04 0.00 -2.36 0.00 0.00 39.78 37.13 8paz n ASN 98 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 8paz h LEU 99 N 3.98 0.29 -1.20 -4.53 5.85 -1.87 -1.07 115.31 116.76 8paz h LEU 99 Ca 0.00 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 8paz h LEU 99 Cb 0.94 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 8paz h LEU 99 CO 0.00 0.31 0.26 0.44 -0.34 0.00 0.00 178.44 179.11 8paz h ASP 100 N 0.24 0.74 -0.12 1.25 3.32 -1.83 -1.09 116.42 118.93 8paz h ASP 100 Ca 0.08 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.05 8paz h ASP 100 Cb 0.10 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 8paz h ASP 100 CO -0.01 0.64 0.08 -0.61 -1.72 0.00 0.00 179.24 177.62 8paz h GLN 101 N 0.81 0.16 -0.74 3.56 -0.00 -1.81 -1.80 115.11 115.28 8paz h GLN 101 Ca 0.20 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.82 8paz h GLN 101 Cb 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 27.48 27.52 8paz h GLN 101 CO -0.02 0.10 0.37 0.82 0.00 0.00 0.00 178.83 180.10 8paz h ILE 102 N 0.16 1.23 -0.46 2.39 2.04 -0.48 -1.78 117.51 120.61 8paz h ILE 102 Ca 0.04 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.22 8paz h ILE 102 Cb -0.02 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 8paz h ILE 102 CO -0.01 0.27 0.07 0.58 0.00 0.00 0.00 178.15 179.06 8paz h VAL 103 N 1.05 1.22 0.00 1.67 2.07 -0.98 -2.75 116.25 118.53 8paz h VAL 103 Ca 0.26 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.96 8paz h VAL 103 Cb 0.08 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 8paz h VAL 103 CO -0.04 0.30 -0.09 -1.28 0.02 0.00 0.00 177.57 176.48 8paz h SER 104 N 0.68 0.00 -4.10 0.57 0.87 -0.85 -3.48 113.55 107.25 8paz h SER 104 Ca 0.15 -0.02 -0.52 0.00 -1.23 0.00 0.00 61.79 60.18 8paz h SER 104 Cb 0.32 0.00 0.10 0.00 -0.44 0.00 0.00 62.40 62.38 8paz h SER 104 CO 0.00 0.01 0.45 0.00 -0.53 0.00 0.00 176.83 176.76 8paz s ALA 105 N -3.16 2.58 0.22 6.23 0.00 -0.71 -4.95 121.76 121.97 8paz s ALA 105 Ca 0.09 0.90 -0.32 0.00 0.00 0.00 0.00 51.96 52.63 8paz s ALA 105 Cb 0.10 -3.41 -0.12 0.00 0.00 0.00 0.00 23.12 19.69 8paz s ALA 105 CO 0.64 -1.04 1.68 0.21 0.00 0.00 0.00 175.76 177.26 8paz s LYS 106 N -3.38 4.13 0.09 0.00 2.20 -1.26 -4.99 119.74 116.53 8paz s LYS 106 Ca 0.75 2.58 -0.26 0.00 -0.36 0.00 0.00 55.97 58.68 8paz s LYS 106 Cb -0.27 -3.07 0.08 0.00 -1.51 0.00 0.00 37.83 33.06 8paz s LYS 106 CO 0.32 -0.72 0.83 -1.59 -0.36 0.00 0.00 175.35 173.83 8paz s LYS 107 N 0.87 1.08 0.57 4.03 -2.85 -1.26 -5.15 119.74 117.03 8paz s LYS 107 Ca 0.72 -0.47 -0.21 0.00 -1.00 0.00 0.00 55.97 55.01 8paz s LYS 107 Cb -0.49 0.45 -0.04 0.00 -2.06 0.00 0.00 37.83 35.69 8paz s LYS 107 CO 0.35 -0.48 1.32 -2.30 0.10 0.00 0.00 175.35 174.33 8paz n PRO 108 N -0.34 1.51 -0.30 1.78 -0.02 -1.26 -4.77 135.00 131.60 8paz n PRO 108 Ca -0.10 0.56 0.06 0.00 -2.02 0.00 0.00 63.50 62.00 8paz n PRO 108 Cb 0.62 -2.54 0.20 0.00 -0.02 0.00 0.00 33.50 31.77 8paz n PRO 108 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 8paz h LYS 109 N 1.17 0.70 -0.17 -0.52 3.64 -1.99 -0.84 116.57 118.57 8paz h LYS 109 Ca -0.51 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 58.72 8paz h LYS 109 Cb 1.32 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 8paz h LYS 109 CO 0.56 0.46 -0.39 0.97 -2.27 0.00 0.00 179.45 178.78 8paz h ILE 110 N 0.72 1.30 -0.34 2.00 6.09 -1.90 -0.01 117.51 125.37 8paz h ILE 110 Ca 0.44 -1.51 -0.02 0.00 -1.37 0.00 0.00 64.86 62.40 8paz h ILE 110 Cb 0.53 1.61 -0.02 0.00 0.47 0.00 0.00 36.82 39.41 8paz h ILE 110 CO -0.31 0.46 0.14 0.58 -3.07 0.00 0.00 178.15 175.95 8paz h VAL 111 N 0.31 1.18 -0.91 2.19 2.07 -1.57 -0.91 116.25 118.61 8paz h VAL 111 Ca 0.03 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 8paz h VAL 111 Cb 0.83 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 8paz h VAL 111 CO 0.07 0.20 0.51 -0.61 0.02 0.00 0.00 177.57 177.75 8paz h GLN 112 N 0.41 1.27 -0.36 1.57 5.75 -0.75 0.41 115.11 123.41 8paz h GLN 112 Ca 0.11 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 8paz h GLN 112 Cb 0.18 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 8paz h GLN 112 CO -0.01 0.92 0.22 0.93 -2.65 0.00 0.00 178.83 178.24 8paz h GLU 113 N 1.28 0.49 -0.32 1.69 5.08 -0.68 -0.60 114.58 121.51 8paz h GLU 113 Ca 0.32 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.51 8paz h GLU 113 Cb 0.02 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 8paz h GLU 113 CO -0.05 0.37 -0.30 0.00 -1.00 0.00 0.00 179.01 178.03 8paz h ARG 114 N 0.47 0.69 -0.45 2.33 3.08 -0.80 -2.33 114.38 117.37 8paz h ARG 114 Ca 0.13 -0.31 0.03 0.00 0.07 0.00 0.00 59.98 59.90 8paz h ARG 114 Cb 0.01 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 8paz h ARG 114 CO -0.02 0.90 0.25 1.25 -1.07 0.00 0.00 179.97 181.28 8paz h LEU 115 N 0.59 0.39 -1.11 3.04 5.85 -0.64 -1.09 115.31 122.35 8paz h LEU 115 Ca 0.07 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 8paz h LEU 115 Cb 0.81 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 8paz h LEU 115 CO 0.07 0.28 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.09 8paz h GLU 116 N 0.51 0.60 0.06 1.25 5.08 -0.94 -1.60 114.58 119.53 8paz h GLU 116 Ca 0.19 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 8paz h GLU 116 Cb 0.05 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.22 8paz h GLU 116 CO -0.10 0.64 -0.03 0.87 -1.00 0.00 0.00 179.01 179.39 8paz h LYS 117 N 0.57 -0.08 -0.54 2.33 6.56 -0.94 -1.20 116.57 123.27 8paz h LYS 117 Ca 0.12 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 8paz h LYS 117 Cb 0.40 0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 32.05 8paz h LYS 117 CO 0.02 0.07 0.35 -0.39 -2.06 0.00 0.00 179.45 177.44 8paz h VAL 118 N -0.22 1.14 -0.14 0.50 -1.51 -0.91 0.16 116.25 115.26 8paz h VAL 118 Ca -0.01 -0.26 -0.22 0.00 -1.23 0.00 0.00 66.70 64.98 8paz h VAL 118 Cb 0.19 0.35 0.01 0.00 -2.13 0.00 0.00 31.29 29.71 8paz h VAL 118 CO 0.01 0.14 -0.79 0.40 -1.23 0.00 0.00 177.57 176.10 8paz h ILE 119 N 0.73 1.28 0.00 7.19 2.04 -1.13 -2.30 117.51 125.32 8paz h ILE 119 Ca 0.20 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 64.06 8paz h ILE 119 Cb -0.08 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 8paz h ILE 119 CO -0.04 0.63 0.00 0.00 0.00 0.00 0.00 178.15 178.74 8paz n ALA 120 N -2.60 -0.25 -3.88 1.87 0.00 -0.47 -3.91 120.51 111.26 8paz n ALA 120 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.03 8paz n ALA 120 Cb 0.75 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.07 8paz n ALA 120 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 8paz s SER 121 N -2.47 4.90 0.00 0.00 0.01 0.52 -3.99 113.70 112.67 8paz s SER 121 Ca 0.00 -2.41 0.00 0.00 1.31 0.00 0.00 55.95 54.85 8paz s SER 121 Cb 0.00 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.50 8paz s SER 121 CO 0.00 -0.40 0.00 0.00 0.41 0.00 0.00 173.24 173.25 8paz n ALA 122 N 3.99 0.00 0.48 1.44 0.00 -1.18 -4.20 120.51 121.03 8paz n ALA 122 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.51 8paz n ALA 122 Cb 0.39 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.07 8paz n ALA 122 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86