#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3doy s PHE 12 N 0.00 2.71 0.67 1.08 0.40 -0.79 -5.00 117.98 117.05 3doy s PHE 12 Ca 0.00 -1.44 0.02 0.00 -0.60 0.00 0.00 56.93 54.91 3doy s PHE 12 Cb 0.00 -1.86 0.11 0.00 0.51 0.00 0.00 43.02 41.78 3doy s PHE 12 CO 0.00 -0.68 0.92 -0.06 0.70 0.00 0.00 175.22 176.10 3doy s PHE 13 N 0.98 1.68 0.32 0.36 0.40 -1.26 -1.29 117.98 119.16 3doy s PHE 13 Ca -0.03 -0.36 0.09 0.00 -0.60 0.00 0.00 56.93 56.03 3doy s PHE 13 Cb -0.15 -2.78 0.89 0.00 0.51 0.00 0.00 43.02 41.49 3doy s PHE 13 CO -0.06 -1.48 1.71 0.97 0.70 0.00 0.00 175.22 177.06 3doy h ILE 14 N -0.29 0.48 -0.82 0.64 6.09 -1.91 0.10 117.51 121.81 3doy h ILE 14 Ca -0.35 -0.17 0.05 0.00 -1.37 0.00 0.00 64.86 63.02 3doy h ILE 14 Cb 1.27 -0.06 -0.06 0.00 0.47 0.00 0.00 36.82 38.45 3doy h ILE 14 CO 0.41 0.09 0.51 1.05 -3.07 0.00 0.00 178.15 177.15 3doy h GLU 15 N 0.50 0.93 -0.19 2.19 4.11 -1.93 0.10 114.58 120.29 3doy h GLU 15 Ca 0.64 -0.06 -0.13 0.00 0.07 0.00 0.00 59.36 59.88 3doy h GLU 15 Cb 1.27 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3doy h GLU 15 CO -0.51 0.62 -0.39 0.45 0.07 0.00 0.00 179.01 179.24 3doy h HIS 16 N 0.96 0.77 -0.98 2.06 3.86 -1.21 -2.93 115.15 117.68 3doy h HIS 16 Ca 0.35 -0.28 0.06 0.00 -1.16 0.00 0.00 60.37 59.34 3doy h HIS 16 Cb 0.10 -0.14 -0.06 0.00 1.06 0.00 0.00 27.41 28.37 3doy h HIS 16 CO -0.03 1.03 0.63 0.82 0.86 0.00 0.00 177.93 181.24 3doy h ILE 17 N 0.28 1.09 -0.20 2.45 2.04 -0.73 -1.50 117.51 120.94 3doy h ILE 17 Ca 0.01 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 3doy h ILE 17 Cb 0.99 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3doy h ILE 17 CO 0.09 0.21 -0.08 -0.07 0.00 0.00 0.00 178.15 178.30 3doy h LEU 18 N 1.14 0.29 -0.95 1.44 3.38 -0.71 -0.19 115.31 119.70 3doy h LEU 18 Ca 0.42 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 3doy h LEU 18 Cb 0.17 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3doy h LEU 18 CO -0.16 0.41 -0.06 1.56 0.09 0.00 0.00 178.44 180.27 3doy h GLN 19 N 0.30 0.00 0.00 1.13 4.20 -1.10 -3.38 115.11 116.26 3doy h GLN 19 Ca 0.06 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.50 3doy h GLN 19 Cb 0.33 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.07 3doy h GLN 19 CO 0.02 0.06 -1.84 -0.89 -0.67 0.00 0.00 178.83 175.50 3doy n ILE 20 N -3.15 1.19 -2.70 2.54 2.08 -0.91 -4.45 119.36 113.96 3doy n ILE 20 Ca 0.01 -0.18 -0.40 0.00 0.56 0.00 0.00 62.75 62.74 3doy n ILE 20 Cb 0.41 -1.86 -0.06 0.00 -0.75 0.00 0.00 39.64 37.38 3doy n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3doy s LEU 21 N -7.23 4.63 0.23 1.39 1.43 -0.13 -4.78 118.68 114.21 3doy s LEU 21 Ca -0.27 1.99 0.25 0.00 -1.03 0.00 0.00 54.13 55.07 3doy s LEU 21 Cb 0.09 -3.61 0.62 0.00 0.03 0.00 0.00 46.19 43.32 3doy s LEU 21 CO 0.35 0.10 1.63 1.55 0.23 0.00 0.00 176.35 180.21 3doy h PRO 22 N 4.18 0.00 -6.98 1.29 0.13 -1.86 -3.43 132.00 125.32 3doy h PRO 22 Ca -0.45 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.14 3doy h PRO 22 Cb 1.20 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.44 3doy h PRO 22 CO 0.68 0.00 0.65 -1.01 -0.23 0.00 0.00 178.00 178.09 3doy s HIS 23 N -3.14 2.57 0.36 1.56 3.76 -1.26 -5.03 115.29 114.11 3doy s HIS 23 Ca 0.09 1.34 0.06 0.00 -0.15 0.00 0.00 55.06 56.40 3doy s HIS 23 Cb 0.11 -3.79 -0.03 0.00 1.11 0.00 0.00 32.58 29.98 3doy s HIS 23 CO 0.64 -2.58 0.23 1.03 -0.85 0.00 0.00 174.74 173.21 3doy s ARG 24 N -2.46 1.82 0.32 1.40 1.81 -1.26 -4.65 118.95 115.92 3doy s ARG 24 Ca 0.61 -2.08 -0.29 0.00 -1.72 0.00 0.00 55.73 52.25 3doy s ARG 24 Cb -0.41 0.01 -0.11 0.00 -0.45 0.00 0.00 34.95 33.99 3doy s ARG 24 CO 0.51 -0.60 1.57 -0.47 -0.68 0.00 0.00 175.30 175.64 3doy s TYR 25 N -3.37 2.69 -0.58 -0.53 6.14 -1.26 0.12 117.35 120.56 3doy s TYR 25 Ca 0.34 0.88 0.00 0.00 0.64 0.00 0.00 57.07 58.93 3doy s TYR 25 Cb 0.02 -4.07 0.52 0.00 0.42 0.00 0.00 41.96 38.86 3doy s TYR 25 CO 0.23 -3.48 1.99 -0.35 0.64 0.00 0.00 175.55 174.58 3doy n PRO 26 N 1.67 2.51 -0.10 4.97 -0.04 -1.26 -4.91 135.00 137.83 3doy n PRO 26 Ca 0.06 -3.15 0.05 0.00 -0.04 0.00 0.00 63.50 60.43 3doy n PRO 26 Cb 0.38 -2.23 0.10 0.00 -0.04 0.00 0.00 33.50 31.70 3doy n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3doy n MET 27 N -0.98 2.38 -3.28 0.54 2.81 0.33 -4.91 117.12 114.02 3doy n MET 27 Ca 0.61 -2.10 -0.45 0.00 -1.81 0.00 0.00 57.70 53.95 3doy n MET 27 Cb 1.03 -1.31 -0.06 0.00 -0.71 0.00 0.00 33.22 32.17 3doy n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3doy s LEU 28 N -1.86 5.74 -0.40 4.03 2.96 -0.77 -4.57 118.68 123.81 3doy s LEU 28 Ca 0.19 -1.49 0.05 0.00 -0.22 0.00 0.00 54.13 52.67 3doy s LEU 28 Cb 0.15 -2.24 0.57 0.00 0.50 0.00 0.00 46.19 45.17 3doy s LEU 28 CO 0.04 -0.84 1.71 0.18 -1.32 0.00 0.00 176.35 176.12 3doy n LEU 29 N 5.52 5.65 -3.86 -0.68 4.77 -1.26 -4.90 117.00 122.25 3doy n LEU 29 Ca -0.12 -3.81 -0.23 0.00 -0.03 0.00 0.00 56.01 51.82 3doy n LEU 29 Cb 0.42 -0.75 -0.17 0.00 -2.33 0.00 0.00 43.42 40.60 3doy n LEU 29 CO 0.53 1.24 -0.41 -0.69 -1.33 0.00 0.00 177.39 176.73 3doy s VAL 30 N -3.49 0.61 -0.14 4.08 1.01 -1.26 -4.64 120.40 116.57 3doy s VAL 30 Ca 0.52 -0.09 0.18 0.00 0.00 0.00 0.00 61.98 62.59 3doy s VAL 30 Cb 0.45 -0.68 -0.24 0.00 0.00 0.00 0.00 36.38 35.91 3doy s VAL 30 CO 0.05 0.28 0.33 0.47 0.00 0.00 0.00 175.10 176.22 3doy n ASP 31 N 4.64 0.26 -3.57 3.32 10.43 -0.44 -4.95 116.55 126.24 3doy n ASP 31 Ca -0.15 0.12 -0.15 0.00 2.57 0.00 0.00 54.79 57.17 3doy n ASP 31 Cb 0.50 0.86 -0.06 0.00 1.84 0.00 0.00 41.12 44.27 3doy n ASP 31 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3doy s ARG 32 N -2.72 0.91 -0.27 -1.24 3.52 -1.10 -3.12 118.95 114.93 3doy s ARG 32 Ca -0.08 0.53 -0.07 0.00 -0.13 0.00 0.00 55.73 55.99 3doy s ARG 32 Cb 0.08 0.43 -0.00 0.00 -1.56 0.00 0.00 34.95 33.90 3doy s ARG 32 CO 0.84 -0.22 0.06 0.42 -0.81 0.00 0.00 175.30 175.59 3doy s ILE 33 N -0.54 4.00 -0.08 4.11 -1.09 -0.41 -1.69 121.20 125.50 3doy s ILE 33 Ca -0.05 -0.50 0.11 0.00 -2.23 0.00 0.00 60.65 57.97 3doy s ILE 33 Cb -0.02 -2.97 -0.24 0.00 -1.58 0.00 0.00 42.46 37.65 3doy s ILE 33 CO 0.05 0.20 0.51 0.35 -1.23 0.00 0.00 174.94 174.83 3doy n THR 34 N 4.88 1.60 -3.90 2.92 -2.24 -0.49 -1.88 114.28 115.16 3doy n THR 34 Ca -0.15 -0.78 -0.11 0.00 -2.27 0.00 0.00 64.05 60.73 3doy n THR 34 Cb 0.49 -1.05 -0.13 0.00 -2.10 0.00 0.00 70.33 67.54 3doy n THR 34 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3doy s GLU 35 N -2.57 0.09 -0.14 -0.78 2.02 -0.78 -4.65 118.70 111.89 3doy s GLU 35 Ca -0.09 -0.18 -0.06 0.00 0.02 0.00 0.00 54.97 54.67 3doy s GLU 35 Cb 0.08 0.03 0.06 0.00 0.10 0.00 0.00 34.13 34.40 3doy s GLU 35 CO 0.81 -0.01 0.30 -1.17 0.02 0.00 0.00 175.26 175.21 3doy s LEU 36 N -0.42 -0.09 -0.26 1.80 2.96 -1.26 -1.64 118.68 119.77 3doy s LEU 36 Ca -0.05 0.67 -0.02 0.00 -0.22 0.00 0.00 54.13 54.52 3doy s LEU 36 Cb -0.03 0.90 0.08 0.00 0.50 0.00 0.00 46.19 47.64 3doy s LEU 36 CO -0.00 -0.21 0.07 -1.10 -1.32 0.00 0.00 176.35 173.79 3doy s GLN 37 N 1.92 0.71 -0.02 1.98 -0.21 -0.33 -5.02 119.66 118.69 3doy s GLN 37 Ca -0.04 -0.79 -0.40 0.00 0.02 0.00 0.00 55.36 54.15 3doy s GLN 37 Cb -0.11 -2.01 -0.20 0.00 1.00 0.00 0.00 33.01 31.69 3doy s GLN 37 CO -0.10 -0.84 1.11 0.00 -2.12 0.00 0.00 175.29 173.34 3doy n ALA 38 N 4.94 -3.44 -1.24 6.09 0.00 -1.26 -0.49 120.51 125.11 3doy n ALA 38 Ca -0.06 0.59 -0.10 0.00 0.00 0.00 0.00 53.44 53.88 3doy n ALA 38 Cb 0.44 -1.78 -0.04 0.00 0.00 0.00 0.00 19.45 18.07 3doy n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3doy n ASN 39 N 1.66 -5.27 0.00 0.00 5.03 -1.26 -4.74 115.26 110.67 3doy n ASN 39 Ca 0.20 0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.89 3doy n ASN 39 Cb 0.08 -3.87 0.00 0.00 -1.02 0.00 0.00 39.78 34.97 3doy n ASN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3doy n GLN 40 N -0.68 0.00 -3.56 3.52 6.02 0.36 -4.71 117.38 118.33 3doy n GLN 40 Ca -0.10 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.79 3doy n GLN 40 Cb 0.54 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.78 3doy n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3doy s LYS 41 N -0.98 1.38 -0.07 -1.09 -2.85 -0.85 -0.97 119.74 114.32 3doy s LYS 41 Ca 0.00 -0.61 -0.05 0.00 -1.00 0.00 0.00 55.97 54.31 3doy s LYS 41 Cb 0.00 0.57 0.03 0.00 -2.06 0.00 0.00 37.83 36.37 3doy s LYS 41 CO 0.00 -0.62 0.16 -1.50 0.10 0.00 0.00 175.35 173.50 3doy s ILE 42 N -3.73 -0.02 -0.12 3.79 2.07 0.80 -1.19 121.20 122.80 3doy s ILE 42 Ca 0.05 0.07 0.02 0.00 -1.41 0.00 0.00 60.65 59.38 3doy s ILE 42 Cb -0.02 -0.24 0.00 0.00 0.13 0.00 0.00 42.46 42.32 3doy s ILE 42 CO -0.06 0.03 -0.21 -0.69 -1.91 0.00 0.00 174.94 172.10 3doy s VAL 43 N 0.53 2.28 0.31 4.00 1.01 -0.65 -1.47 120.40 126.41 3doy s VAL 43 Ca -0.04 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 3doy s VAL 43 Cb -0.05 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.42 3doy s VAL 43 CO -0.03 0.55 0.50 0.00 0.00 0.00 0.00 175.10 176.12 3doy s ALA 44 N 0.56 0.28 0.24 5.51 0.00 -0.16 -1.40 121.76 126.79 3doy s ALA 44 Ca -0.12 -1.23 -0.13 0.00 0.00 0.00 0.00 51.96 50.48 3doy s ALA 44 Cb -0.17 1.08 -0.00 0.00 0.00 0.00 0.00 23.12 24.03 3doy s ALA 44 CO 0.04 -0.83 0.48 1.52 0.00 0.00 0.00 175.76 176.97 3doy s TYR 45 N -3.30 0.30 -0.04 0.00 1.13 -0.68 0.25 117.35 115.02 3doy s TYR 45 Ca 0.26 -0.67 -0.01 0.00 -1.41 0.00 0.00 57.07 55.24 3doy s TYR 45 Cb -0.01 0.21 0.03 0.00 -1.10 0.00 0.00 41.96 41.09 3doy s TYR 45 CO 0.15 -0.98 0.08 0.21 -2.51 0.00 0.00 175.55 172.50 3doy s LYS 46 N -4.00 0.01 0.31 -3.49 2.20 0.70 -1.33 119.74 114.14 3doy s LYS 46 Ca 0.21 0.27 -0.27 0.00 -0.36 0.00 0.00 55.97 55.81 3doy s LYS 46 Cb -0.01 -0.23 -0.10 0.00 -1.51 0.00 0.00 37.83 35.99 3doy s LYS 46 CO 0.07 -0.18 0.97 -0.80 -0.36 0.00 0.00 175.35 175.06 3doy s ASN 47 N 1.17 7.34 -0.22 1.43 0.01 -1.26 -0.99 114.94 122.42 3doy s ASN 47 Ca -0.08 1.93 -0.04 0.00 -0.71 0.00 0.00 52.86 53.95 3doy s ASN 47 Cb -0.12 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 38.93 3doy s ASN 47 CO -0.04 -0.07 -0.03 -0.63 -1.51 0.00 0.00 177.10 174.81 3doy s ILE 48 N -1.48 3.46 0.11 0.60 -1.09 -0.51 -4.92 121.20 117.37 3doy s ILE 48 Ca 0.48 -0.46 0.06 0.00 -2.23 0.00 0.00 60.65 58.50 3doy s ILE 48 Cb -0.22 -2.57 -0.04 0.00 -1.58 0.00 0.00 42.46 38.05 3doy s ILE 48 CO 0.28 0.42 -0.15 0.28 -1.23 0.00 0.00 174.94 174.53 3doy s THR 49 N 1.46 1.37 0.47 2.92 -1.32 -1.26 -0.20 115.64 119.08 3doy s THR 49 Ca 0.05 -1.64 0.24 0.00 -1.21 0.00 0.00 61.69 59.14 3doy s THR 49 Cb -0.14 -1.47 0.28 0.00 -1.51 0.00 0.00 72.50 69.65 3doy s THR 49 CO -0.02 -0.33 2.10 0.15 -2.21 0.00 0.00 174.62 174.30 3doy h PHE 50 N 3.70 0.00 0.00 9.09 3.57 -1.96 -3.22 116.94 128.13 3doy h PHE 50 Ca -0.41 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.09 3doy h PHE 50 Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3doy h PHE 50 CO 0.65 0.10 0.00 -1.71 -2.23 0.00 0.00 178.31 175.12 3doy n ASN 51 N -3.92 3.05 -4.21 0.41 4.05 -1.26 -4.75 115.26 108.63 3doy n ASN 51 Ca -0.02 -1.79 -0.30 0.00 0.45 0.00 0.00 54.58 52.91 3doy n ASN 51 Cb 0.19 -0.64 -0.17 0.00 1.23 0.00 0.00 39.78 40.40 3doy n ASN 51 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3doy s GLU 52 N 0.83 2.46 0.41 1.20 2.02 -1.22 -5.03 118.70 119.37 3doy s GLU 52 Ca 0.00 -0.81 0.14 0.00 0.02 0.00 0.00 54.97 54.33 3doy s GLU 52 Cb 0.00 -2.02 1.00 0.00 0.10 0.00 0.00 34.13 33.22 3doy s GLU 52 CO 0.00 0.28 1.91 0.22 0.02 0.00 0.00 175.26 177.69 3doy h ASP 53 N 6.32 0.44 -1.00 -0.19 3.58 -1.94 -2.46 116.42 121.18 3doy h ASP 53 Ca -0.29 0.02 0.19 0.00 0.42 0.00 0.00 57.03 57.37 3doy h ASP 53 Cb 1.19 -0.06 -0.10 0.00 1.72 0.00 0.00 39.33 42.08 3doy h ASP 53 CO 0.47 0.23 0.61 0.58 -2.88 0.00 0.00 179.24 178.26 3doy h VAL 54 N 0.47 0.72 0.00 2.25 2.07 -1.96 -1.19 116.25 118.62 3doy h VAL 54 Ca 0.38 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 3doy h VAL 54 Cb 0.81 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3doy h VAL 54 CO -0.13 0.14 -0.01 -0.26 0.02 0.00 0.00 177.57 177.32 3doy h PHE 55 N 0.74 0.00 -0.24 1.57 0.05 -1.72 -1.69 116.94 115.66 3doy h PHE 55 Ca 0.56 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.35 3doy h PHE 55 Cb 0.90 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.84 3doy h PHE 55 CO -0.00 0.01 0.16 -0.91 -0.18 0.00 0.00 178.31 177.38 3doy h ASN 56 N 0.00 0.26 -0.01 2.17 2.35 -1.38 -3.15 115.58 115.82 3doy h ASN 56 Ca -0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3doy h ASN 56 Cb 0.20 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3doy h ASN 56 CO 0.00 0.19 0.00 0.61 -1.65 0.00 0.00 177.43 176.58 3doy n GLY 57 N -1.51 -0.89 2.24 2.83 0.00 -0.70 -4.18 105.19 102.98 3doy n GLY 57 Ca 0.01 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 3doy n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3doy n HIS 58 N 0.25 -0.45 -4.35 1.61 -0.00 -0.79 -4.49 115.22 107.00 3doy n HIS 58 Ca 0.03 -3.51 -0.18 0.00 -0.00 0.00 0.00 57.72 54.06 3doy n HIS 58 Cb 0.12 -0.20 -0.10 0.00 -0.00 0.00 0.00 29.99 29.81 3doy n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3doy s PHE 59 N -0.90 1.66 0.22 1.57 0.40 0.40 -1.31 117.98 120.03 3doy s PHE 59 Ca 0.35 -0.79 -0.32 0.00 -0.60 0.00 0.00 56.93 55.57 3doy s PHE 59 Cb 0.14 -0.92 -0.13 0.00 0.51 0.00 0.00 43.02 42.62 3doy s PHE 59 CO -0.13 0.12 1.62 -2.30 0.70 0.00 0.00 175.22 175.23 3doy n PRO 60 N -0.44 2.52 -0.75 0.24 -0.02 -1.26 -0.87 135.00 134.42 3doy n PRO 60 Ca -0.06 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3doy n PRO 60 Cb 0.63 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 3doy n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3doy n ASN 61 N 3.15 -0.12 -3.16 2.55 4.13 -1.26 -4.87 115.26 115.68 3doy n ASN 61 Ca 0.14 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.30 3doy n ASN 61 Cb 0.33 -1.30 -0.04 0.00 -1.54 0.00 0.00 39.78 37.23 3doy n ASN 61 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3doy s LYS 62 N -0.53 0.84 -0.31 3.52 2.20 -0.05 -5.12 119.74 120.30 3doy s LYS 62 Ca 0.00 -0.90 -0.28 0.00 -0.36 0.00 0.00 55.97 54.43 3doy s LYS 62 Cb 0.00 -0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 35.89 3doy s LYS 62 CO 0.00 -1.25 2.05 -2.14 -0.36 0.00 0.00 175.35 173.64 3doy s PRO 63 N 1.23 3.09 -0.18 4.03 0.02 -1.23 -0.45 135.00 141.50 3doy s PRO 63 Ca 0.22 1.65 -0.01 0.00 0.02 0.00 0.00 61.00 62.88 3doy s PRO 63 Cb -0.06 -4.32 0.05 0.00 0.02 0.00 0.00 34.50 30.19 3doy s PRO 63 CO -0.06 -2.15 -0.03 0.42 -0.33 0.00 0.00 177.00 174.85 3doy s ILE 64 N 8.14 0.98 0.10 2.83 -1.09 -0.43 -4.53 121.20 127.20 3doy s ILE 64 Ca 0.90 -0.66 -0.31 0.00 -2.23 0.00 0.00 60.65 58.36 3doy s ILE 64 Cb -0.26 -1.25 -0.09 0.00 -1.58 0.00 0.00 42.46 39.27 3doy s ILE 64 CO 0.33 0.01 1.78 0.12 -1.23 0.00 0.00 174.94 175.95 3doy s PHE 65 N 1.67 2.18 0.09 3.97 5.36 0.17 -4.53 117.98 126.89 3doy s PHE 65 Ca -0.00 0.07 -0.36 0.00 -0.96 0.00 0.00 56.93 55.67 3doy s PHE 65 Cb -0.16 -4.11 -0.16 0.00 -0.34 0.00 0.00 43.02 38.25 3doy s PHE 65 CO -0.07 -4.56 1.44 -2.30 -1.46 0.00 0.00 175.22 168.27 3doy n PRO 66 N 5.79 1.44 -0.26 10.12 -0.02 -1.26 -4.62 135.00 146.19 3doy n PRO 66 Ca 0.17 0.52 0.05 0.00 -2.02 0.00 0.00 63.50 62.22 3doy n PRO 66 Cb 0.39 -2.20 0.28 0.00 -0.02 0.00 0.00 33.50 31.95 3doy n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3doy h GLY 67 N 5.15 1.20 2.00 -1.23 0.00 -1.98 -0.03 103.07 108.17 3doy h GLY 67 Ca -0.47 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 3doy h GLY 67 CO 0.82 0.27 -0.04 -0.39 0.00 0.00 0.00 176.54 177.20 3doy h VAL 68 N 0.93 0.11 0.00 4.60 -1.51 -2.00 -1.97 116.25 116.41 3doy h VAL 68 Ca 0.36 -0.56 -0.03 0.00 -1.23 0.00 0.00 66.70 65.25 3doy h VAL 68 Cb 0.22 1.50 -0.00 0.00 -2.13 0.00 0.00 31.29 30.88 3doy h VAL 68 CO -0.13 0.04 -0.56 -0.07 -1.23 0.00 0.00 177.57 175.61 3doy h LEU 69 N 0.00 0.00 -0.24 4.19 3.38 -1.38 -1.90 115.31 119.37 3doy h LEU 69 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3doy h LEU 69 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3doy h LEU 69 CO 0.00 0.12 -0.22 0.40 0.09 0.00 0.00 178.44 178.84 3doy h ILE 70 N 0.00 1.32 -0.73 1.22 2.04 -0.79 -0.86 117.51 119.71 3doy h ILE 70 Ca -0.02 -1.38 -0.06 0.00 1.00 0.00 0.00 64.86 64.41 3doy h ILE 70 Cb 1.11 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.83 3doy h ILE 70 CO 0.01 0.43 0.24 0.58 0.00 0.00 0.00 178.15 179.41 3doy h VAL 71 N 0.27 1.26 -0.79 1.67 2.07 -1.43 -1.78 116.25 117.52 3doy h VAL 71 Ca 0.04 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 3doy h VAL 71 Cb 0.77 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3doy h VAL 71 CO 0.06 0.35 0.41 -0.08 0.02 0.00 0.00 177.57 178.33 3doy h GLU 72 N 1.08 1.12 -0.07 1.57 4.57 -1.21 0.20 114.58 121.84 3doy h GLU 72 Ca 0.24 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 3doy h GLU 72 Cb 0.30 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 3doy h GLU 72 CO -0.01 0.84 -0.12 0.78 -1.18 0.00 0.00 179.01 179.32 3doy h GLY 73 N 1.10 0.12 1.37 1.92 0.00 -0.70 -0.14 103.07 106.74 3doy h GLY 73 Ca 0.28 -0.06 -0.26 0.00 0.00 0.00 0.00 47.33 47.28 3doy h GLY 73 CO -0.04 0.06 -1.07 -0.33 0.00 0.00 0.00 176.54 175.16 3doy h MET 74 N 0.11 0.55 -0.29 4.80 2.86 -0.37 -2.40 114.93 120.18 3doy h MET 74 Ca 0.02 -0.64 -0.02 0.00 -2.06 0.00 0.00 59.70 57.00 3doy h MET 74 Cb 0.28 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3doy h MET 74 CO 0.02 1.25 0.09 0.00 1.06 0.00 0.00 176.91 179.33 3doy h ALA 75 N 0.51 0.39 -0.77 6.32 0.00 -0.48 0.20 119.26 125.42 3doy h ALA 75 Ca -0.13 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3doy h ALA 75 Cb 1.72 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 3doy h ALA 75 CO 0.20 0.02 0.51 1.96 0.00 0.00 0.00 179.25 181.94 3doy h GLN 76 N 0.31 1.02 -0.74 0.00 4.20 -1.09 1.03 115.11 119.85 3doy h GLN 76 Ca 0.09 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.75 3doy h GLN 76 Cb 0.25 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 3doy h GLN 76 CO -0.00 0.67 0.49 0.77 -0.67 0.00 0.00 178.83 180.09 3doy h SER 77 N 1.05 0.84 -0.24 1.46 0.02 -1.09 0.10 113.55 115.68 3doy h SER 77 Ca 0.28 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.11 3doy h SER 77 Cb -0.12 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.20 3doy h SER 77 CO -0.06 0.60 -0.22 1.23 -1.14 0.00 0.00 176.83 177.24 3doy h GLY 78 N 0.99 0.77 0.92 -3.77 0.00 0.25 -2.68 103.07 99.54 3doy h GLY 78 Ca 0.27 -0.64 0.02 0.00 0.00 0.00 0.00 47.33 46.98 3doy h GLY 78 CO -0.07 0.58 0.29 -1.33 0.00 0.00 0.00 176.54 176.02 3doy h GLY 79 N 0.98 0.66 1.39 4.60 0.00 0.23 -0.53 103.07 110.40 3doy h GLY 79 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3doy h GLY 79 CO 0.05 0.20 0.39 -2.75 0.00 0.00 0.00 176.54 174.43 3doy h PHE 80 N 0.58 0.78 -0.38 5.60 3.57 -0.83 0.21 116.94 126.47 3doy h PHE 80 Ca 0.18 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.57 3doy h PHE 80 Cb -0.01 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 3doy h PHE 80 CO -0.06 0.50 -0.28 1.25 -2.23 0.00 0.00 178.31 177.49 3doy h LEU 81 N 0.84 0.85 -0.09 0.59 5.85 -1.03 -2.50 115.31 119.81 3doy h LEU 81 Ca 0.22 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3doy h LEU 81 Cb -0.07 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.72 3doy h LEU 81 CO -0.05 1.07 -0.04 0.00 -0.34 0.00 0.00 178.44 179.09 3doy h ALA 82 N 0.98 0.13 -0.01 1.25 0.00 -0.12 -1.04 119.26 120.45 3doy h ALA 82 Ca 0.08 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3doy h ALA 82 Cb 0.82 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3doy h ALA 82 CO 0.07 -0.12 -0.15 0.74 0.00 0.00 0.00 179.25 179.80 3doy h PHE 83 N -0.17 -0.38 -0.28 0.00 0.04 -0.99 -0.98 116.94 114.18 3doy h PHE 83 Ca 0.02 0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.66 3doy h PHE 83 Cb 0.48 0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 3doy h PHE 83 CO 0.06 -0.22 -0.43 1.79 -0.60 0.00 0.00 178.31 178.92 3doy h THR 84 N -0.24 1.29 -0.13 -1.55 1.35 -1.50 0.80 112.91 112.94 3doy h THR 84 Ca 0.05 -1.61 -0.06 0.00 -0.55 0.00 0.00 66.41 64.24 3doy h THR 84 Cb 0.31 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 3doy h THR 84 CO -0.15 0.52 -0.21 0.28 -0.25 0.00 0.00 175.52 175.70 3doy h SER 85 N 0.57 0.21 0.01 5.36 0.02 -1.07 0.72 113.55 119.37 3doy h SER 85 Ca 0.04 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3doy h SER 85 Cb 0.97 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.45 3doy h SER 85 CO 0.09 0.44 -0.06 0.25 -1.14 0.00 0.00 176.83 176.41 3doy h LEU 86 N 0.20 0.04 -2.40 5.07 5.85 -0.89 -3.42 115.31 119.77 3doy h LEU 86 Ca 0.04 -0.94 0.00 0.00 0.84 0.00 0.00 57.88 57.81 3doy h LEU 86 Cb 0.50 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3doy h LEU 86 CO 0.03 0.98 -0.07 0.79 -0.34 0.00 0.00 178.44 179.83 3doy n TRP 87 N -4.60 0.00 -4.56 1.25 8.01 0.25 -5.10 117.44 112.70 3doy n TRP 87 Ca -0.10 -0.44 0.00 0.00 -1.31 0.00 0.00 57.50 55.65 3doy n TRP 87 Cb 0.48 -0.06 0.00 0.00 -2.01 0.00 0.00 31.31 29.72 3doy n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3doy n GLY 88 N -0.54 -1.41 3.53 6.99 0.00 0.25 -4.14 105.19 109.87 3doy n GLY 88 Ca 0.04 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 3doy n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3doy s PHE 89 N 0.00 2.72 -0.44 1.61 5.36 -1.26 -4.19 117.98 121.79 3doy s PHE 89 Ca 0.00 -1.06 0.03 0.00 -0.96 0.00 0.00 56.93 54.94 3doy s PHE 89 Cb 0.00 -4.59 0.12 0.00 -0.34 0.00 0.00 43.02 38.21 3doy s PHE 89 CO 0.00 -1.80 0.18 0.34 -1.46 0.00 0.00 175.22 172.47 3doy s ASP 90 N 4.54 4.35 0.47 6.13 -1.08 -1.26 -4.97 116.67 124.86 3doy s ASP 90 Ca 0.43 -2.59 0.13 0.00 -0.52 0.00 0.00 52.55 50.00 3doy s ASP 90 Cb -0.01 -1.50 1.10 0.00 -1.46 0.00 0.00 42.92 41.05 3doy s ASP 90 CO -0.09 -0.30 2.10 -0.65 0.52 0.00 0.00 175.17 176.76 3doy h PRO 91 N 7.00 0.18 0.32 4.34 0.11 -1.91 -2.01 132.00 140.04 3doy h PRO 91 Ca -0.06 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 3doy h PRO 91 Cb 0.95 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3doy h PRO 91 CO 0.59 0.14 -0.15 0.93 -0.21 0.00 0.00 178.00 179.30 3doy h GLU 92 N 0.18 -0.41 -0.62 1.05 4.39 -1.93 -2.03 114.58 115.21 3doy h GLU 92 Ca 0.05 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 3doy h GLU 92 Cb 0.02 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 3doy h GLU 92 CO -0.01 -0.14 0.25 0.82 -1.16 0.00 0.00 179.01 178.78 3doy h ILE 93 N -0.66 1.22 -0.88 3.13 2.04 -1.95 -2.97 117.51 117.44 3doy h ILE 93 Ca -0.04 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.16 3doy h ILE 93 Cb 0.47 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3doy h ILE 93 CO 0.07 0.27 0.58 0.00 0.00 0.00 0.00 178.15 179.07 3doy h ALA 94 N 1.40 1.38 0.00 1.87 0.00 -1.24 -2.84 119.26 119.83 3doy h ALA 94 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3doy h ALA 94 Cb 0.16 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3doy h ALA 94 CO -0.02 0.58 0.00 0.36 0.00 0.00 0.00 179.25 180.17 3doy n LYS 95 N -4.40 0.14 0.00 0.00 2.85 -0.77 -2.24 118.16 113.73 3doy n LYS 95 Ca 0.10 0.20 0.11 0.00 -1.05 0.00 0.00 58.31 57.67 3doy n LYS 95 Cb 0.03 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 32.77 3doy n LYS 95 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3doy n THR 96 N -1.32 0.05 -3.71 0.58 -2.24 -1.07 -4.99 114.28 101.58 3doy n THR 96 Ca 0.05 -0.36 -0.20 0.00 -2.27 0.00 0.00 64.05 61.27 3doy n THR 96 Cb 0.09 0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 68.55 3doy n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3doy s LYS 97 N -3.36 3.19 0.34 -0.78 -0.14 -0.95 -0.19 119.74 117.85 3doy s LYS 97 Ca -0.03 -0.95 0.06 0.00 -1.36 0.00 0.00 55.97 53.69 3doy s LYS 97 Cb 0.14 -2.80 -0.03 0.00 -1.68 0.00 0.00 37.83 33.46 3doy s LYS 97 CO 0.88 0.22 0.22 0.96 -0.76 0.00 0.00 175.35 176.87 3doy s ILE 98 N -2.11 0.18 -0.04 2.17 -4.36 0.02 -4.74 121.20 112.32 3doy s ILE 98 Ca 0.40 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.81 3doy s ILE 98 Cb -0.09 -2.45 0.02 0.00 1.25 0.00 0.00 42.46 41.18 3doy s ILE 98 CO 0.30 0.00 -0.07 -0.69 0.24 0.00 0.00 174.94 174.72 3doy s VAL 99 N -3.44 0.66 -0.00 8.37 1.01 -1.26 -1.42 120.40 124.32 3doy s VAL 99 Ca 0.35 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.14 3doy s VAL 99 Cb 0.03 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 3doy s VAL 99 CO 0.22 0.24 -0.07 -0.31 0.00 0.00 0.00 175.10 175.18 3doy s TYR 100 N 0.65 2.88 0.02 5.22 1.51 0.59 -4.95 117.35 123.27 3doy s TYR 100 Ca -0.10 -0.04 -0.26 0.00 -1.01 0.00 0.00 57.07 55.67 3doy s TYR 100 Cb -0.13 -1.62 -0.05 0.00 -0.11 0.00 0.00 41.96 40.06 3doy s TYR 100 CO 0.01 0.36 0.79 -0.06 -1.11 0.00 0.00 175.55 175.54 3doy s PHE 101 N -0.97 3.70 -0.15 2.71 0.40 -1.26 0.15 117.98 122.56 3doy s PHE 101 Ca 0.16 1.48 -0.11 0.00 -0.60 0.00 0.00 56.93 57.86 3doy s PHE 101 Cb -0.11 -2.87 -0.07 0.00 0.51 0.00 0.00 43.02 40.48 3doy s PHE 101 CO 0.07 0.19 -0.25 -1.33 0.70 0.00 0.00 175.22 174.60 3doy n MET 102 N 3.17 0.40 -3.96 0.44 2.81 0.53 -4.87 117.12 115.63 3doy n MET 102 Ca -0.01 0.17 -0.08 0.00 -1.81 0.00 0.00 57.70 55.97 3doy n MET 102 Cb 0.50 -1.18 -0.09 0.00 -0.71 0.00 0.00 33.22 31.75 3doy n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3doy s THR 103 N -2.48 0.17 -0.04 2.03 -4.23 -0.83 -4.97 115.64 105.28 3doy s THR 103 Ca -0.24 -1.37 -0.02 0.00 -1.18 0.00 0.00 61.69 58.88 3doy s THR 103 Cb 0.07 -1.25 0.02 0.00 1.34 0.00 0.00 72.50 72.68 3doy s THR 103 CO 0.33 -0.76 0.08 -0.63 -0.54 0.00 0.00 174.62 173.10 3doy s ILE 104 N -3.47 -0.03 0.11 2.99 1.01 -1.26 -1.43 121.20 119.12 3doy s ILE 104 Ca 0.02 0.11 -0.18 0.00 0.00 0.00 0.00 60.65 60.60 3doy s ILE 104 Cb 0.04 -0.14 0.04 0.00 0.01 0.00 0.00 42.46 42.42 3doy s ILE 104 CO -0.09 0.04 0.44 -0.62 0.00 0.00 0.00 174.94 174.72 3doy s ASP 105 N 0.64 -0.31 -1.40 3.58 2.15 -0.17 -4.97 116.67 116.19 3doy s ASP 105 Ca -0.05 -0.16 -0.03 0.00 0.43 0.00 0.00 52.55 52.74 3doy s ASP 105 Cb -0.07 0.48 0.02 0.00 -0.30 0.00 0.00 42.92 43.05 3doy s ASP 105 CO -0.02 -0.82 0.61 0.29 -0.17 0.00 0.00 175.17 175.06 3doy n LYS 106 N -0.05 -4.18 -3.84 4.34 5.02 -1.26 -1.97 118.16 116.23 3doy n LYS 106 Ca -0.17 0.51 -0.37 0.00 -2.02 0.00 0.00 58.31 56.26 3doy n LYS 106 Cb 0.63 -4.93 -0.06 0.00 -0.02 0.00 0.00 35.03 30.65 3doy n LYS 106 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3doy s VAL 107 N -3.73 5.46 -0.02 -0.18 -7.23 -1.26 -4.04 120.40 109.40 3doy s VAL 107 Ca 0.12 0.26 -0.01 0.00 -1.81 0.00 0.00 61.98 60.54 3doy s VAL 107 Cb -0.06 -3.43 0.01 0.00 0.56 0.00 0.00 36.38 33.46 3doy s VAL 107 CO 0.85 0.60 0.03 -0.54 -0.31 0.00 0.00 175.10 175.74 3doy s LYS 108 N -0.91 0.02 -0.17 4.82 1.02 -0.97 -4.97 119.74 118.57 3doy s LYS 108 Ca 0.15 0.09 -0.04 0.00 0.02 0.00 0.00 55.97 56.19 3doy s LYS 108 Cb -0.12 -0.06 -0.02 0.00 -0.52 0.00 0.00 37.83 37.10 3doy s LYS 108 CO 0.04 -0.05 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.33 3doy s PHE 109 N 0.35 3.01 -0.20 3.18 0.40 -1.26 -1.27 117.98 122.19 3doy s PHE 109 Ca -0.03 -0.43 -0.02 0.00 -0.60 0.00 0.00 56.93 55.85 3doy s PHE 109 Cb -0.04 -2.01 -0.12 0.00 0.51 0.00 0.00 43.02 41.37 3doy s PHE 109 CO -0.01 -0.16 -0.20 0.54 0.70 0.00 0.00 175.22 176.09 3doy n ARG 110 N 3.88 0.47 -4.54 0.44 1.74 -0.30 -4.97 116.66 113.38 3doy n ARG 110 Ca -0.17 0.14 -0.23 0.00 -0.77 0.00 0.00 57.85 56.81 3doy n ARG 110 Cb 0.52 -1.34 -0.16 0.00 -1.02 0.00 0.00 32.46 30.46 3doy n ARG 110 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3doy s ILE 111 N -2.38 1.03 0.35 0.55 1.01 -1.14 -5.05 121.20 115.56 3doy s ILE 111 Ca -0.27 -0.46 -0.28 0.00 0.00 0.00 0.00 60.65 59.64 3doy s ILE 111 Cb 0.08 -0.92 -0.11 0.00 0.01 0.00 0.00 42.46 41.52 3doy s ILE 111 CO 0.42 0.32 1.38 -2.16 0.00 0.00 0.00 174.94 174.90 3doy s PRO 112 N 0.40 4.26 -0.17 2.79 0.04 -1.26 -4.81 135.00 136.24 3doy s PRO 112 Ca -0.08 2.36 -0.10 0.00 0.04 0.00 0.00 61.00 63.22 3doy s PRO 112 Cb -0.12 -3.03 -0.05 0.00 0.04 0.00 0.00 34.50 31.34 3doy s PRO 112 CO 0.02 -0.33 0.15 0.08 0.04 0.00 0.00 177.00 176.96 3doy s VAL 113 N -1.12 5.42 0.30 -0.36 1.01 -1.26 -5.03 120.40 119.37 3doy s VAL 113 Ca 0.50 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.74 3doy s VAL 113 Cb -0.42 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3doy s VAL 113 CO 0.57 0.48 0.12 0.42 0.00 0.00 0.00 175.10 176.69 3doy s THR 114 N -0.00 0.57 0.33 3.92 -4.23 -1.26 -0.66 115.64 114.30 3doy s THR 114 Ca 0.10 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.32 3doy s THR 114 Cb -0.11 -2.58 -0.12 0.00 1.34 0.00 0.00 72.50 71.03 3doy s THR 114 CO 0.00 0.00 1.52 -2.65 -0.54 0.00 0.00 174.62 172.95 3doy n PRO 115 N -0.60 2.61 0.00 3.99 -0.02 -1.26 -2.06 135.00 137.67 3doy n PRO 115 Ca -0.01 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3doy n PRO 115 Cb 0.66 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3doy n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3doy n GLY 116 N 1.39 1.67 3.84 -1.23 0.00 0.73 -4.92 105.19 106.66 3doy n GLY 116 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3doy n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3doy s ASP 117 N -1.68 6.83 -0.40 1.61 -0.00 -0.87 -4.92 116.67 117.24 3doy s ASP 117 Ca 0.00 1.37 -0.08 0.00 -0.00 0.00 0.00 52.55 53.84 3doy s ASP 117 Cb 0.00 -2.41 0.07 0.00 -0.00 0.00 0.00 42.92 40.58 3doy s ASP 117 CO 0.00 -0.21 0.21 -0.60 -0.00 0.00 0.00 175.17 174.57 3doy s ARG 118 N -2.93 2.54 -0.57 8.23 3.52 -1.26 -1.43 118.95 127.06 3doy s ARG 118 Ca 0.55 -1.43 -0.24 0.00 -0.13 0.00 0.00 55.73 54.48 3doy s ARG 118 Cb -0.11 -3.68 0.05 0.00 -1.56 0.00 0.00 34.95 29.66 3doy s ARG 118 CO 0.17 -0.89 0.93 -1.17 -0.81 0.00 0.00 175.30 173.53 3doy s LEU 119 N 1.39 4.17 -0.17 -0.88 2.96 -0.16 -4.38 118.68 121.61 3doy s LEU 119 Ca 0.02 -0.48 -0.15 0.00 -0.22 0.00 0.00 54.13 53.31 3doy s LEU 119 Cb -0.22 -2.74 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 3doy s LEU 119 CO 0.02 -1.25 0.35 -0.70 -1.32 0.00 0.00 176.35 173.44 3doy s GLU 120 N 3.93 4.24 -0.17 1.98 2.12 0.68 -0.22 118.70 131.26 3doy s GLU 120 Ca 0.28 0.17 -0.09 0.00 0.36 0.00 0.00 54.97 55.69 3doy s GLU 120 Cb -0.13 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 3doy s GLU 120 CO 0.17 0.14 0.15 0.71 -0.54 0.00 0.00 175.26 175.89 3doy s TYR 121 N 0.77 3.48 -0.32 5.30 1.51 0.70 0.78 117.35 129.56 3doy s TYR 121 Ca 0.18 0.42 0.01 0.00 -1.01 0.00 0.00 57.07 56.67 3doy s TYR 121 Cb -0.14 -2.11 0.10 0.00 -0.11 0.00 0.00 41.96 39.70 3doy s TYR 121 CO 0.06 0.43 0.08 -1.01 -1.11 0.00 0.00 175.55 174.00 3doy s HIS 122 N -0.07 2.47 -0.02 2.71 3.76 0.10 -0.99 115.29 123.25 3doy s HIS 122 Ca 0.11 -2.22 0.06 0.00 -0.15 0.00 0.00 55.06 52.87 3doy s HIS 122 Cb -0.12 -2.17 -0.02 0.00 1.11 0.00 0.00 32.58 31.38 3doy s HIS 122 CO 0.00 -0.90 -0.21 -0.51 -0.85 0.00 0.00 174.74 172.27 3doy s LEU 123 N 1.33 2.35 0.18 0.89 2.01 -0.54 -1.33 118.68 123.57 3doy s LEU 123 Ca 0.10 -0.37 0.08 0.00 0.01 0.00 0.00 54.13 53.96 3doy s LEU 123 Cb -0.18 -1.43 -0.04 0.00 0.01 0.00 0.00 46.19 44.55 3doy s LEU 123 CO -0.19 0.32 -0.17 -1.83 1.01 0.00 0.00 176.35 175.49 3doy s GLU 124 N -0.74 1.30 -0.11 1.70 -1.05 -0.62 -0.14 118.70 119.04 3doy s GLU 124 Ca 0.11 -1.46 -0.27 0.00 -0.15 0.00 0.00 54.97 53.20 3doy s GLU 124 Cb -0.10 -1.29 -0.02 0.00 -0.44 0.00 0.00 34.13 32.28 3doy s GLU 124 CO 0.00 0.25 0.87 0.08 0.95 0.00 0.00 175.26 177.41 3doy s VAL 125 N -2.30 4.89 -0.21 1.83 1.01 -0.14 -2.24 120.40 123.23 3doy s VAL 125 Ca 0.18 1.75 -0.06 0.00 0.00 0.00 0.00 61.98 63.85 3doy s VAL 125 Cb -0.04 -4.19 -0.19 0.00 0.00 0.00 0.00 36.38 31.96 3doy s VAL 125 CO 0.07 0.09 -0.02 0.18 0.00 0.00 0.00 175.10 175.42 3doy n LEU 126 N 4.69 2.58 -3.58 3.92 4.77 0.22 -4.96 117.00 124.65 3doy n LEU 126 Ca 0.05 0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 56.02 3doy n LEU 126 Cb 0.50 -0.97 -0.05 0.00 -2.33 0.00 0.00 43.42 40.56 3doy n LEU 126 CO 0.49 0.78 0.72 -0.75 -1.33 0.00 0.00 177.39 177.31 3doy s LYS 127 N -2.51 0.65 0.03 3.23 2.20 -0.79 -5.02 119.74 117.53 3doy s LYS 127 Ca -0.31 0.21 -0.21 0.00 -0.36 0.00 0.00 55.97 55.30 3doy s LYS 127 Cb 0.09 0.31 0.05 0.00 -1.51 0.00 0.00 37.83 36.76 3doy s LYS 127 CO 0.63 -0.19 0.48 -3.38 -0.36 0.00 0.00 175.35 172.53 3doy s HIS 128 N -0.97 -0.37 -0.30 4.03 -3.43 -1.26 0.53 115.29 113.52 3doy s HIS 128 Ca -0.02 0.43 -0.09 0.00 -0.80 0.00 0.00 55.06 54.58 3doy s HIS 128 Cb -0.01 0.28 0.16 0.00 -1.43 0.00 0.00 32.58 31.59 3doy s HIS 128 CO 0.02 -0.59 0.76 0.21 -2.00 0.00 0.00 174.74 173.13 3doy s LYS 129 N -2.24 0.46 7.57 -0.38 2.20 -0.19 -5.02 119.74 122.14 3doy s LYS 129 Ca -0.07 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.55 3doy s LYS 129 Cb -0.01 0.59 0.00 0.00 -1.51 0.00 0.00 37.83 36.90 3doy s LYS 129 CO -0.00 -0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 3doy n GLY 130 N 5.35 2.91 0.13 5.54 0.00 -1.26 -1.81 105.19 116.04 3doy n GLY 130 Ca -0.07 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.86 3doy n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3doy n MET 131 N 13.57 0.69 -3.41 1.61 2.81 -1.26 -4.81 117.12 126.33 3doy n MET 131 Ca 0.00 -0.26 -0.40 0.00 -1.81 0.00 0.00 57.70 55.23 3doy n MET 131 Cb 0.00 -1.49 -0.09 0.00 -0.71 0.00 0.00 33.22 30.92 3doy n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3doy s ILE 132 N -2.49 5.18 -0.08 2.02 1.01 -0.75 -1.58 121.20 124.51 3doy s ILE 132 Ca 0.28 0.28 0.04 0.00 0.00 0.00 0.00 60.65 61.25 3doy s ILE 132 Cb 0.20 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.92 3doy s ILE 132 CO 0.48 0.03 -0.20 0.26 0.00 0.00 0.00 174.94 175.51 3doy s TRP 133 N 2.04 2.13 -0.23 3.97 0.52 -0.74 -1.02 118.94 125.60 3doy s TRP 133 Ca 0.13 -0.79 -0.03 0.00 0.02 0.00 0.00 56.10 55.43 3doy s TRP 133 Cb -0.16 -1.45 0.01 0.00 -1.15 0.00 0.00 33.47 30.72 3doy s TRP 133 CO 0.11 -0.32 -0.06 -1.14 0.02 0.00 0.00 176.95 175.56 3doy s GLN 134 N 0.32 3.14 0.27 4.98 0.74 0.19 -1.04 119.66 128.27 3doy s GLN 134 Ca -0.14 -0.77 0.05 0.00 0.05 0.00 0.00 55.36 54.55 3doy s GLN 134 Cb -0.16 -2.96 -0.06 0.00 1.10 0.00 0.00 33.01 30.93 3doy s GLN 134 CO 0.06 -0.28 -0.02 0.14 -0.55 0.00 0.00 175.29 174.64 3doy s VAL 135 N 1.41 1.38 0.06 1.34 -7.23 0.57 -0.61 120.40 117.32 3doy s VAL 135 Ca 0.04 -2.07 -0.23 0.00 -1.81 0.00 0.00 61.98 57.91 3doy s VAL 135 Cb -0.15 -2.48 0.06 0.00 0.56 0.00 0.00 36.38 34.36 3doy s VAL 135 CO -0.05 -0.25 0.55 -0.83 -0.31 0.00 0.00 175.10 174.21 3doy s GLY 136 N -3.41 -0.48 0.00 2.32 0.00 -0.95 -0.04 107.32 104.76 3doy s GLY 136 Ca 0.30 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.64 3doy s GLY 136 CO 0.12 0.31 0.00 0.61 0.00 0.00 0.00 173.10 174.13 3doy n GLY 137 N 0.26 -0.69 3.18 0.20 0.00 0.19 -1.59 105.19 106.73 3doy n GLY 137 Ca -0.18 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 3doy n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3doy s THR 138 N -4.00 0.07 -0.09 2.61 -4.23 -0.44 -1.48 115.64 108.08 3doy s THR 138 Ca 0.00 -1.91 0.03 0.00 -1.18 0.00 0.00 61.69 58.63 3doy s THR 138 Cb 0.00 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.65 3doy s THR 138 CO 0.00 -0.31 -0.19 0.00 -0.54 0.00 0.00 174.62 173.59 3doy s ALA 139 N -4.08 2.40 0.07 3.99 0.00 -0.27 -0.72 121.76 123.16 3doy s ALA 139 Ca 0.29 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.34 3doy s ALA 139 Cb 0.07 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 3doy s ALA 139 CO 0.05 0.34 -0.16 -0.65 0.00 0.00 0.00 175.76 175.35 3doy s GLN 140 N 0.08 0.90 -0.10 0.00 -0.21 0.23 -0.70 119.66 119.85 3doy s GLN 140 Ca -0.08 -0.98 -0.00 0.00 0.02 0.00 0.00 55.36 54.32 3doy s GLN 140 Cb -0.15 -0.96 0.02 0.00 1.00 0.00 0.00 33.01 32.93 3doy s GLN 140 CO 0.05 0.22 -0.06 0.08 -2.12 0.00 0.00 175.29 173.46 3doy s VAL 141 N -1.20 0.90 -1.53 1.09 1.01 -0.61 -0.23 120.40 119.83 3doy s VAL 141 Ca 0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 3doy s VAL 141 Cb -0.10 -0.94 0.07 0.00 0.00 0.00 0.00 36.38 35.42 3doy s VAL 141 CO 0.03 0.34 0.63 -0.67 0.00 0.00 0.00 175.10 175.43 3doy n ASP 142 N 4.88 -2.00 0.00 3.32 4.64 -1.26 -1.62 116.55 124.52 3doy n ASP 142 Ca -0.12 -0.98 0.00 0.00 -1.38 0.00 0.00 54.79 52.31 3doy n ASP 142 Cb 0.50 -3.06 0.00 0.00 -1.04 0.00 0.00 41.12 37.52 3doy n ASP 142 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3doy n GLY 143 N -1.72 1.65 3.53 0.27 0.00 -1.26 -5.03 105.19 102.62 3doy n GLY 143 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 3doy n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3doy s LYS 144 N -0.20 2.82 -0.12 1.61 1.02 -0.64 -5.08 119.74 119.15 3doy s LYS 144 Ca 0.00 -0.60 -0.29 0.00 0.02 0.00 0.00 55.97 55.10 3doy s LYS 144 Cb 0.00 -2.57 -0.04 0.00 -0.52 0.00 0.00 37.83 34.70 3doy s LYS 144 CO 0.00 0.58 1.67 0.08 -0.92 0.00 0.00 175.35 176.76 3doy s VAL 145 N -0.59 3.59 -0.92 3.17 1.01 -1.26 -1.57 120.40 123.83 3doy s VAL 145 Ca 0.09 0.70 0.18 0.00 0.00 0.00 0.00 61.98 62.95 3doy s VAL 145 Cb -0.12 -3.52 -0.18 0.00 0.00 0.00 0.00 36.38 32.56 3doy s VAL 145 CO 0.02 -0.14 0.78 1.33 0.00 0.00 0.00 175.10 177.09 3doy n VAL 146 N 5.93 0.00 -3.57 2.92 0.24 0.12 -4.55 118.33 119.42 3doy n VAL 146 Ca 0.18 -0.09 -0.08 0.00 -2.04 0.00 0.00 64.34 62.32 3doy n VAL 146 Cb 0.44 1.02 -0.04 0.00 -1.47 0.00 0.00 33.84 33.79 3doy n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3doy s ALA 147 N -2.67 -1.96 0.12 2.33 0.00 -1.15 -1.15 121.76 117.29 3doy s ALA 147 Ca 0.08 1.49 0.06 0.00 0.00 0.00 0.00 51.96 53.59 3doy s ALA 147 Cb 0.14 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 3doy s ALA 147 CO 0.72 -0.44 -0.13 -1.21 0.00 0.00 0.00 175.76 174.70 3doy s GLU 148 N -1.81 1.01 -0.14 0.00 2.02 -0.40 -1.11 118.70 118.28 3doy s GLU 148 Ca 0.03 -1.25 -0.32 0.00 0.02 0.00 0.00 54.97 53.45 3doy s GLU 148 Cb -0.01 -0.86 0.13 0.00 0.10 0.00 0.00 34.13 33.49 3doy s GLU 148 CO -0.03 0.16 1.10 0.00 0.02 0.00 0.00 175.26 176.51 3doy s ALA 149 N -2.23 -1.99 0.00 5.21 0.00 -0.55 -2.30 121.76 119.91 3doy s ALA 149 Ca 0.09 1.46 0.02 0.00 0.00 0.00 0.00 51.96 53.54 3doy s ALA 149 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 3doy s ALA 149 CO 0.03 -0.55 -0.07 -1.21 0.00 0.00 0.00 175.76 173.96 3doy s GLU 150 N -2.30 0.54 0.04 0.00 2.02 -0.83 -0.64 118.70 117.53 3doy s GLU 150 Ca 0.07 -0.32 -0.25 0.00 0.02 0.00 0.00 54.97 54.48 3doy s GLU 150 Cb -0.01 -0.50 0.06 0.00 0.10 0.00 0.00 34.13 33.78 3doy s GLU 150 CO -0.05 0.13 0.58 -0.48 0.02 0.00 0.00 175.26 175.45 3doy s LEU 151 N -0.39 -0.31 -0.09 1.80 0.05 0.94 -1.00 118.68 119.68 3doy s LEU 151 Ca 0.01 0.28 0.02 0.00 0.05 0.00 0.00 54.13 54.50 3doy s LEU 151 Cb -0.04 2.32 0.01 0.00 -2.05 0.00 0.00 46.19 46.43 3doy s LEU 151 CO -0.00 -0.74 -0.15 -0.75 -0.55 0.00 0.00 176.35 174.16 3doy s LYS 152 N -2.35 2.15 0.13 1.48 2.20 -0.51 -0.32 119.74 122.52 3doy s LYS 152 Ca -0.06 -0.55 0.07 0.00 -0.36 0.00 0.00 55.97 55.07 3doy s LYS 152 Cb -0.01 -1.77 -0.04 0.00 -1.51 0.00 0.00 37.83 34.51 3doy s LYS 152 CO -0.01 0.01 -0.16 0.00 -0.36 0.00 0.00 175.35 174.83 3doy s ALA 153 N 0.77 1.62 -0.11 3.13 0.00 -0.20 -0.35 121.76 126.62 3doy s ALA 153 Ca -0.11 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 50.56 3doy s ALA 153 Cb -0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 3doy s ALA 153 CO 0.02 0.16 -0.20 1.41 0.00 0.00 0.00 175.76 177.16 3doy s MET 154 N -2.56 3.16 0.01 0.00 1.75 0.12 -1.79 119.30 119.98 3doy s MET 154 Ca 0.09 -0.80 -0.21 0.00 -1.25 0.00 0.00 55.69 53.52 3doy s MET 154 Cb -0.06 -2.42 -0.05 0.00 2.84 0.00 0.00 34.83 35.13 3doy s MET 154 CO 0.04 0.21 0.61 0.42 -0.65 0.00 0.00 175.02 175.65 3doy s ILE 155 N 0.31 4.87 0.15 10.11 1.01 -0.62 -0.30 121.20 136.73 3doy s ILE 155 Ca -0.15 1.29 -0.04 0.00 0.00 0.00 0.00 60.65 61.75 3doy s ILE 155 Cb -0.17 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 3doy s ILE 155 CO 0.07 0.42 0.14 0.00 0.00 0.00 0.00 174.94 175.58 3doy s ALA 156 N -0.25 0.60 -0.31 9.38 0.00 -0.51 -4.78 121.76 125.88 3doy s ALA 156 Ca 0.32 -1.29 -0.27 0.00 0.00 0.00 0.00 51.96 50.71 3doy s ALA 156 Cb -0.19 0.91 0.01 0.00 0.00 0.00 0.00 23.12 23.85 3doy s ALA 156 CO 0.18 -0.55 0.98 -1.21 0.00 0.00 0.00 175.76 175.16 3doy s GLU 157 N -4.03 4.04 0.00 0.00 0.41 -1.26 -0.80 118.70 117.07 3doy s GLU 157 Ca 0.23 0.94 0.27 0.00 -0.41 0.00 0.00 54.97 56.00 3doy s GLU 157 Cb 0.06 -3.73 1.63 0.00 -1.78 0.00 0.00 34.13 30.31 3doy s GLU 157 CO 0.02 -0.82 1.98 2.89 -0.49 0.00 0.00 175.26 178.84