#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3doy n GLN 9 N 0.00 -1.92 -0.00 1.96 1.13 -1.26 -5.03 117.38 112.26 3doy n GLN 9 Ca 0.00 -1.33 -0.00 0.00 -1.94 0.00 0.00 57.00 53.72 3doy n GLN 9 Cb 0.00 -1.10 -0.00 0.00 0.11 0.00 0.00 30.24 29.25 3doy n GLN 9 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3doy n SER 10 N -4.06 4.91 -4.47 1.08 7.64 -1.26 -4.67 113.62 112.79 3doy n SER 10 Ca 0.11 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.66 3doy n SER 10 Cb 0.42 0.69 -0.13 0.00 -1.01 0.00 0.00 64.21 64.18 3doy n SER 10 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3doy s GLN 11 N -2.02 3.48 -0.01 1.43 -0.21 -1.26 -2.55 119.66 118.52 3doy s GLN 11 Ca -0.00 -0.57 0.02 0.00 0.02 0.00 0.00 55.36 54.82 3doy s GLN 11 Cb 0.00 -2.79 0.00 0.00 1.00 0.00 0.00 33.01 31.22 3doy s GLN 11 CO 0.02 0.29 -0.05 -0.06 -2.12 0.00 0.00 175.29 173.36 3doy s PHE 12 N 0.21 0.55 0.48 0.91 0.40 -0.75 -5.00 117.98 114.78 3doy s PHE 12 Ca -0.04 -0.11 0.08 0.00 -0.60 0.00 0.00 56.93 56.25 3doy s PHE 12 Cb -0.14 -0.39 0.02 0.00 0.51 0.00 0.00 43.02 43.01 3doy s PHE 12 CO 0.04 -0.04 0.50 -0.06 0.70 0.00 0.00 175.22 176.35 3doy s PHE 13 N 0.09 2.17 0.45 0.36 0.40 -1.26 -0.89 117.98 119.29 3doy s PHE 13 Ca -0.01 -0.62 0.24 0.00 -0.60 0.00 0.00 56.93 55.94 3doy s PHE 13 Cb -0.05 -2.14 1.25 0.00 0.51 0.00 0.00 43.02 42.59 3doy s PHE 13 CO -0.00 -0.47 1.80 0.97 0.70 0.00 0.00 175.22 178.22 3doy h ILE 14 N 0.73 0.51 -0.73 0.64 6.09 -1.89 0.35 117.51 123.20 3doy h ILE 14 Ca -0.38 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.03 3doy h ILE 14 Cb 1.28 0.23 -0.04 0.00 0.47 0.00 0.00 36.82 38.77 3doy h ILE 14 CO 0.52 0.05 0.46 -0.08 -3.07 0.00 0.00 178.15 176.03 3doy h GLU 15 N 0.26 0.97 0.20 2.19 4.57 -1.94 -0.82 114.58 120.01 3doy h GLU 15 Ca 0.56 -0.07 -0.32 0.00 -1.18 0.00 0.00 59.36 58.35 3doy h GLU 15 Cb 1.68 -0.21 0.03 0.00 -0.16 0.00 0.00 28.75 30.09 3doy h GLU 15 CO -0.19 0.66 -1.38 0.45 -1.18 0.00 0.00 179.01 177.38 3doy h HIS 16 N 1.00 0.93 -0.80 0.92 3.86 -0.71 -3.27 115.15 117.07 3doy h HIS 16 Ca 0.26 -0.65 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 3doy h HIS 16 Cb -0.08 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.31 3doy h HIS 16 CO 0.00 1.50 0.51 0.82 0.86 0.00 0.00 177.93 181.62 3doy h ILE 17 N 0.18 1.22 -0.01 2.45 2.04 -1.05 -2.02 117.51 120.31 3doy h ILE 17 Ca -0.22 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.21 3doy h ILE 17 Cb 2.07 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 38.21 3doy h ILE 17 CO 0.26 0.22 0.01 -0.07 0.00 0.00 0.00 178.15 178.57 3doy h LEU 18 N 1.09 0.00 0.00 1.44 3.38 -1.22 -0.38 115.31 119.62 3doy h LEU 18 Ca 0.29 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 3doy h LEU 18 Cb -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3doy h LEU 18 CO -0.06 0.00 -0.65 1.56 0.09 0.00 0.00 178.44 179.38 3doy h GLN 19 N 0.00 0.00 0.00 1.13 4.20 -1.42 -3.39 115.11 115.63 3doy h GLN 19 Ca 0.01 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 58.31 3doy h GLN 19 Cb 0.03 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 3doy h GLN 19 CO -0.00 0.14 -2.27 -0.89 -0.67 0.00 0.00 178.83 175.14 3doy n ILE 20 N -2.95 1.54 -3.27 2.54 2.08 -0.75 -4.59 119.36 113.96 3doy n ILE 20 Ca 0.00 -0.35 -0.34 0.00 0.56 0.00 0.00 62.75 62.62 3doy n ILE 20 Cb 0.62 -1.85 -0.06 0.00 -0.75 0.00 0.00 39.64 37.60 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 -7.45 4.26 0.11 1.39 1.43 -0.23 -4.77 118.68 113.43 3doy s LEU 21 Ca -0.36 1.16 0.25 0.00 -1.03 0.00 0.00 54.13 54.15 3doy s LEU 21 Cb 0.12 -3.55 0.48 0.00 0.03 0.00 0.00 46.19 43.27 3doy s LEU 21 CO 0.53 0.00 1.43 -0.81 0.23 0.00 0.00 176.35 177.74 3doy n PRO 22 N 0.42 0.24 -1.72 1.29 -0.04 -1.26 -4.71 135.00 129.22 3doy n PRO 22 Ca -0.02 0.09 -0.39 0.00 -0.04 0.00 0.00 63.50 63.14 3doy n PRO 22 Cb 0.52 -1.67 0.03 0.00 -0.04 0.00 0.00 33.50 32.34 3doy n PRO 22 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3doy n HIS 23 N -2.04 2.15 -4.22 0.54 8.25 -1.26 -5.03 115.22 113.61 3doy n HIS 23 Ca 0.04 0.46 -0.16 0.00 -0.26 0.00 0.00 57.72 57.80 3doy n HIS 23 Cb 0.42 -2.36 -0.08 0.00 1.12 0.00 0.00 29.99 29.09 3doy n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3doy s ARG 24 N -2.58 1.56 0.25 -0.41 1.81 -1.26 -4.68 118.95 113.64 3doy s ARG 24 Ca 0.67 -1.81 -0.31 0.00 -1.72 0.00 0.00 55.73 52.56 3doy s ARG 24 Cb -0.45 0.32 -0.13 0.00 -0.45 0.00 0.00 34.95 34.24 3doy s ARG 24 CO 0.53 -0.57 1.37 0.98 -0.68 0.00 0.00 175.30 176.93 3doy n TYR 25 N -0.47 2.12 -1.78 -0.53 9.36 -1.26 0.28 117.16 124.87 3doy n TYR 25 Ca 0.04 0.47 -0.34 0.00 3.32 0.00 0.00 57.90 61.39 3doy n TYR 25 Cb 0.64 -2.44 0.05 0.00 -0.63 0.00 0.00 39.34 36.95 3doy n TYR 25 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3doy n PRO 26 N 1.76 2.94 0.00 2.98 -0.04 -1.26 -4.91 135.00 136.47 3doy n PRO 26 Ca 0.11 -3.66 0.00 0.00 -0.04 0.00 0.00 63.50 59.91 3doy n PRO 26 Cb 0.32 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 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 -0.70 1.45 -3.06 0.54 2.81 0.14 -4.96 117.12 113.34 3doy n MET 27 Ca 0.54 -0.98 -0.43 0.00 -1.81 0.00 0.00 57.70 55.02 3doy n MET 27 Cb 0.56 -0.77 -0.06 0.00 -0.71 0.00 0.00 33.22 32.24 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 -0.50 4.70 -0.35 4.03 2.96 -0.98 -4.66 118.68 123.88 3doy s LEU 28 Ca 0.00 -0.74 0.07 0.00 -0.22 0.00 0.00 54.13 53.24 3doy s LEU 28 Cb 0.00 -2.57 0.53 0.00 0.50 0.00 0.00 46.19 44.66 3doy s LEU 28 CO 0.00 -0.99 1.58 0.18 -1.32 0.00 0.00 176.35 175.79 3doy n LEU 29 N 6.57 4.96 -3.82 -0.68 4.77 -1.26 -4.90 117.00 122.64 3doy n LEU 29 Ca -0.04 -3.86 -0.22 0.00 -0.03 0.00 0.00 56.01 51.86 3doy n LEU 29 Cb 0.46 -0.68 -0.17 0.00 -2.33 0.00 0.00 43.42 40.70 3doy n LEU 29 CO 0.57 1.30 -0.39 -0.69 -1.33 0.00 0.00 177.39 176.85 3doy s VAL 30 N -3.46 0.46 -0.16 4.08 1.01 -1.26 -4.61 120.40 116.46 3doy s VAL 30 Ca 0.49 0.01 0.19 0.00 0.00 0.00 0.00 61.98 62.67 3doy s VAL 30 Cb 0.43 -0.56 -0.27 0.00 0.00 0.00 0.00 36.38 35.98 3doy s VAL 30 CO 0.02 0.25 0.20 0.47 0.00 0.00 0.00 175.10 176.04 3doy n ASP 31 N 4.70 0.04 -3.48 3.32 8.00 -0.54 -4.95 116.55 123.65 3doy n ASP 31 Ca -0.14 0.02 -0.15 0.00 0.71 0.00 0.00 54.79 55.22 3doy n ASP 31 Cb 0.50 1.19 -0.04 0.00 -0.02 0.00 0.00 41.12 42.75 3doy n ASP 31 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3doy s ARG 32 N -2.74 1.12 -0.19 -1.24 3.52 -1.08 -2.90 118.95 115.44 3doy s ARG 32 Ca -0.09 -0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.48 3doy s ARG 32 Cb 0.08 0.52 0.02 0.00 -1.56 0.00 0.00 34.95 34.01 3doy s ARG 32 CO 0.85 -0.41 -0.18 0.42 -0.81 0.00 0.00 175.30 175.16 3doy s ILE 33 N -2.20 2.20 -0.08 4.11 1.01 -0.07 -1.34 121.20 124.84 3doy s ILE 33 Ca -0.06 -0.90 0.14 0.00 0.00 0.00 0.00 60.65 59.84 3doy s ILE 33 Cb -0.00 -1.94 -0.22 0.00 0.01 0.00 0.00 42.46 40.31 3doy s ILE 33 CO 0.01 0.52 0.60 0.35 0.00 0.00 0.00 174.94 176.41 3doy n THR 34 N 4.64 1.47 -3.73 2.92 -2.24 0.76 -1.81 114.28 116.30 3doy n THR 34 Ca -0.21 -0.78 -0.14 0.00 -2.27 0.00 0.00 64.05 60.66 3doy n THR 34 Cb 0.50 -0.87 -0.09 0.00 -2.10 0.00 0.00 70.33 67.76 3doy n THR 34 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3doy s GLU 35 N -2.66 0.58 -0.10 -0.78 -1.05 -0.90 -4.39 118.70 109.40 3doy s GLU 35 Ca -0.05 0.31 -0.05 0.00 -0.15 0.00 0.00 54.97 55.03 3doy s GLU 35 Cb 0.08 0.27 0.05 0.00 -0.44 0.00 0.00 34.13 34.09 3doy s GLU 35 CO 0.82 -0.12 0.23 -1.17 0.95 0.00 0.00 175.26 175.98 3doy s LEU 36 N -0.36 0.44 -0.19 1.83 1.98 -1.16 -0.33 118.68 120.90 3doy s LEU 36 Ca -0.05 0.50 -0.01 0.00 -2.89 0.00 0.00 54.13 51.67 3doy s LEU 36 Cb -0.03 0.69 0.05 0.00 0.66 0.00 0.00 46.19 47.55 3doy s LEU 36 CO 0.02 -0.16 -0.01 -1.58 -1.89 0.00 0.00 176.35 172.72 3doy s GLN 37 N 1.27 1.12 0.05 1.98 2.00 0.11 -4.62 119.66 121.57 3doy s GLN 37 Ca -0.09 -0.56 -0.38 0.00 -2.00 0.00 0.00 55.36 52.33 3doy s GLN 37 Cb -0.11 -2.14 -0.18 0.00 0.80 0.00 0.00 33.01 31.39 3doy s GLN 37 CO -0.08 -0.55 1.27 0.00 -0.50 0.00 0.00 175.29 175.43 3doy n ALA 38 N 4.91 -1.73 -0.91 1.58 0.00 -1.26 -1.05 120.51 122.04 3doy n ALA 38 Ca -0.10 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3doy n ALA 38 Cb 0.47 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 2.29 -4.34 0.04 0.00 4.13 -1.26 -4.68 115.26 111.44 3doy n ASN 39 Ca 0.19 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.45 3doy n ASN 39 Cb 0.16 -2.84 0.00 0.00 -1.54 0.00 0.00 39.78 35.56 3doy n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3doy n GLN 40 N -0.13 0.00 -3.79 3.52 6.02 -0.26 -4.65 117.38 118.09 3doy n GLN 40 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 3doy n GLN 40 Cb 0.33 -0.18 -0.02 0.00 1.02 0.00 0.00 30.24 31.39 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 -1.53 1.41 -0.04 -1.09 -2.85 -0.22 -0.04 119.74 115.39 3doy s LYS 41 Ca 0.00 -0.77 -0.10 0.00 -1.00 0.00 0.00 55.97 54.10 3doy s LYS 41 Cb 0.00 0.48 0.02 0.00 -2.06 0.00 0.00 37.83 36.27 3doy s LYS 41 CO 0.00 -0.64 0.23 -1.50 0.10 0.00 0.00 175.35 173.53 3doy s ILE 42 N -3.52 0.05 -0.11 3.79 2.07 -0.31 0.06 121.20 123.23 3doy s ILE 42 Ca 0.12 -0.38 -0.01 0.00 -1.41 0.00 0.00 60.65 58.96 3doy s ILE 42 Cb -0.03 -0.46 0.03 0.00 0.13 0.00 0.00 42.46 42.13 3doy s ILE 42 CO 0.04 -0.21 -0.03 -0.69 -1.91 0.00 0.00 174.94 172.13 3doy s VAL 43 N -0.83 0.74 0.31 4.00 1.01 0.55 -1.74 120.40 124.43 3doy s VAL 43 Ca -0.09 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.77 3doy s VAL 43 Cb -0.05 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 3doy s VAL 43 CO 0.02 0.25 0.26 0.00 0.00 0.00 0.00 175.10 175.63 3doy s ALA 44 N 1.82 1.73 0.17 5.51 0.00 -0.45 -0.17 121.76 130.38 3doy s ALA 44 Ca 0.04 -2.01 -0.16 0.00 0.00 0.00 0.00 51.96 49.83 3doy s ALA 44 Cb -0.13 1.46 0.03 0.00 0.00 0.00 0.00 23.12 24.48 3doy s ALA 44 CO -0.07 -0.66 0.47 1.52 0.00 0.00 0.00 175.76 177.03 3doy s TYR 45 N -3.55 -0.10 -0.05 0.00 1.13 -0.45 0.16 117.35 114.49 3doy s TYR 45 Ca 0.40 -0.24 0.01 0.00 -1.41 0.00 0.00 57.07 55.84 3doy s TYR 45 Cb 0.03 0.32 0.02 0.00 -1.10 0.00 0.00 41.96 41.23 3doy s TYR 45 CO 0.25 -0.84 -0.07 0.21 -2.51 0.00 0.00 175.55 172.59 3doy s LYS 46 N -3.86 1.11 0.30 -3.49 2.20 0.16 -1.46 119.74 114.69 3doy s LYS 46 Ca 0.08 -0.19 -0.28 0.00 -0.36 0.00 0.00 55.97 55.22 3doy s LYS 46 Cb 0.00 -1.05 -0.09 0.00 -1.51 0.00 0.00 37.83 35.18 3doy s LYS 46 CO -0.05 -0.07 1.00 -0.80 -0.36 0.00 0.00 175.35 175.07 3doy s ASN 47 N 0.93 7.34 -0.23 1.43 0.01 -1.26 -1.26 114.94 121.90 3doy s ASN 47 Ca -0.11 2.01 -0.04 0.00 -0.71 0.00 0.00 52.86 54.02 3doy s ASN 47 Cb -0.15 -2.60 -0.00 0.00 0.41 0.00 0.00 41.25 38.91 3doy s ASN 47 CO 0.01 -0.07 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.86 3doy s ILE 48 N -1.36 3.32 0.16 0.60 -1.09 -0.27 -4.92 121.20 117.63 3doy s ILE 48 Ca 0.47 -0.61 0.08 0.00 -2.23 0.00 0.00 60.65 58.36 3doy s ILE 48 Cb -0.25 -2.56 -0.04 0.00 -1.58 0.00 0.00 42.46 38.03 3doy s ILE 48 CO 0.31 0.36 -0.17 0.28 -1.23 0.00 0.00 174.94 174.49 3doy s THR 49 N 1.45 1.71 0.38 2.92 -1.32 -1.26 -0.02 115.64 119.50 3doy s THR 49 Ca 0.05 -1.93 0.19 0.00 -1.21 0.00 0.00 61.69 58.79 3doy s THR 49 Cb -0.15 -1.82 0.19 0.00 -1.51 0.00 0.00 72.50 69.22 3doy s THR 49 CO -0.03 -0.38 1.94 0.15 -2.21 0.00 0.00 174.62 174.09 3doy h PHE 50 N 3.19 0.00 0.00 9.09 3.57 -1.96 -3.23 116.94 127.60 3doy h PHE 50 Ca -0.41 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 3doy h PHE 50 Cb 1.21 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 3doy h PHE 50 CO 0.68 0.24 -0.00 -1.71 -2.23 0.00 0.00 178.31 175.29 3doy n ASN 51 N -3.92 3.22 -4.18 0.41 4.05 -1.26 -4.74 115.26 108.84 3doy n ASN 51 Ca -0.02 -1.86 -0.31 0.00 0.45 0.00 0.00 54.58 52.84 3doy n ASN 51 Cb 0.32 -0.69 -0.17 0.00 1.23 0.00 0.00 39.78 40.47 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 0.85 2.89 0.40 1.20 2.02 -1.22 -5.03 118.70 119.81 3doy s GLU 52 Ca 0.02 -0.82 0.20 0.00 0.02 0.00 0.00 54.97 54.40 3doy s GLU 52 Cb 0.01 -2.24 1.16 0.00 0.10 0.00 0.00 34.13 33.16 3doy s GLU 52 CO 0.00 0.10 1.74 0.22 0.02 0.00 0.00 175.26 177.35 3doy h ASP 53 N 6.93 0.41 -0.63 -0.19 -0.00 -1.94 -1.09 116.42 119.91 3doy h ASP 53 Ca -0.24 0.10 0.13 0.00 -0.00 0.00 0.00 57.03 57.02 3doy h ASP 53 Cb 1.22 0.04 -0.04 0.00 -0.00 0.00 0.00 39.33 40.55 3doy h ASP 53 CO 0.49 0.03 0.43 1.62 -0.00 0.00 0.00 179.24 181.81 3doy h VAL 54 N 0.34 0.81 0.00 2.25 3.04 -1.95 -1.14 116.25 119.60 3doy h VAL 54 Ca 0.64 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 66.23 3doy h VAL 54 Cb 1.70 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 3doy h VAL 54 CO -0.33 0.05 0.00 0.49 -1.01 0.00 0.00 177.57 176.77 3doy n PHE 55 N -4.45 0.19 0.19 3.17 3.01 -0.41 -2.58 117.46 116.57 3doy n PHE 55 Ca 0.11 0.07 0.04 0.00 1.01 0.00 0.00 57.45 58.68 3doy n PHE 55 Cb 0.50 -0.61 0.43 0.00 -0.01 0.00 0.00 39.48 39.79 3doy n PHE 55 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3doy h ASN 56 N 0.00 0.05 0.00 4.37 2.35 -1.36 -3.24 115.58 117.75 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 0.35 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3doy h ASN 56 CO 0.00 0.29 -0.11 0.61 -1.65 0.00 0.00 177.43 176.57 3doy n GLY 57 N -0.79 3.91 2.65 2.83 0.00 -1.07 -4.27 105.19 108.45 3doy n GLY 57 Ca -0.02 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.12 -2.82 -4.30 1.61 -0.00 -1.08 -4.71 115.22 102.82 3doy n HIS 58 Ca 0.12 -2.08 -0.16 0.00 -0.00 0.00 0.00 57.72 55.61 3doy n HIS 58 Cb 0.65 1.21 -0.10 0.00 -0.00 0.00 0.00 29.99 31.75 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 0.36 1.44 0.06 1.57 0.08 -0.35 -0.63 117.98 120.50 3doy s PHE 59 Ca 0.32 -0.89 -0.32 0.00 0.12 0.00 0.00 56.93 56.17 3doy s PHE 59 Cb 0.21 -0.81 -0.11 0.00 -0.57 0.00 0.00 43.02 41.74 3doy s PHE 59 CO -0.22 -0.03 1.86 -2.30 -0.10 0.00 0.00 175.22 174.44 3doy n PRO 60 N -0.34 2.62 -0.01 0.24 -0.02 -1.26 -0.86 135.00 135.37 3doy n PRO 60 Ca -0.07 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3doy n PRO 60 Cb 0.63 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 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 6.17 0.00 -3.22 2.55 4.13 -1.26 -4.85 115.26 118.77 3doy n ASN 61 Ca 0.20 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 56.21 3doy n ASN 61 Cb 0.36 -0.32 -0.07 0.00 -1.54 0.00 0.00 39.78 38.20 3doy n ASN 61 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 3doy n LYS 62 N -2.00 0.68 -1.57 3.52 0.00 -0.04 -5.10 118.16 113.63 3doy n LYS 62 Ca 0.00 -3.24 -0.44 0.00 0.00 0.00 0.00 58.31 54.63 3doy n LYS 62 Cb 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 35.03 33.70 3doy n LYS 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3doy n PRO 63 N 1.59 1.80 -4.42 1.64 -0.04 -1.16 -1.21 135.00 133.21 3doy n PRO 63 Ca 0.22 0.48 -0.28 0.00 -0.04 0.00 0.00 63.50 63.88 3doy n PRO 63 Cb 0.52 -3.13 -0.17 0.00 -0.04 0.00 0.00 33.50 30.68 3doy n PRO 63 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3doy s ILE 64 N 8.33 1.46 -0.13 0.52 -1.09 0.20 -4.53 121.20 125.95 3doy s ILE 64 Ca 1.02 -0.62 -0.29 0.00 -2.23 0.00 0.00 60.65 58.53 3doy s ILE 64 Cb -0.41 -1.34 -0.03 0.00 -1.58 0.00 0.00 42.46 39.11 3doy s ILE 64 CO 0.37 0.43 1.36 0.12 -1.23 0.00 0.00 174.94 175.99 3doy s PHE 65 N 1.03 2.65 -0.03 3.97 5.36 -0.09 -4.53 117.98 126.35 3doy s PHE 65 Ca -0.06 0.82 -0.38 0.00 -0.96 0.00 0.00 56.93 56.34 3doy s PHE 65 Cb -0.15 -3.60 -0.17 0.00 -0.34 0.00 0.00 43.02 38.76 3doy s PHE 65 CO -0.02 -2.22 1.39 -2.30 -1.46 0.00 0.00 175.22 170.61 3doy n PRO 66 N 6.64 0.93 -0.34 10.12 -0.02 -1.26 -4.57 135.00 146.50 3doy n PRO 66 Ca 0.15 0.34 0.02 0.00 -2.02 0.00 0.00 63.50 61.98 3doy n PRO 66 Cb 0.44 -1.96 0.18 0.00 -0.02 0.00 0.00 33.50 32.14 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 4.89 1.41 2.00 -1.23 0.00 -1.99 -0.55 103.07 107.61 3doy h GLY 67 Ca -0.48 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.35 3doy h GLY 67 CO 0.80 0.37 -0.18 -0.39 0.00 0.00 0.00 176.54 177.14 3doy h VAL 68 N 1.17 1.13 0.00 4.60 -1.51 -2.00 -1.39 116.25 118.25 3doy h VAL 68 Ca 0.40 -0.63 -0.12 0.00 -1.23 0.00 0.00 66.70 65.12 3doy h VAL 68 Cb 0.08 1.34 -0.02 0.00 -2.13 0.00 0.00 31.29 30.57 3doy h VAL 68 CO -0.14 0.18 -0.56 -0.07 -1.23 0.00 0.00 177.57 175.75 3doy h LEU 69 N 0.00 0.00 -0.45 4.19 3.38 -1.48 -0.96 115.31 119.99 3doy h LEU 69 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3doy h LEU 69 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3doy h LEU 69 CO 0.02 0.56 -0.02 0.40 0.09 0.00 0.00 178.44 179.49 3doy h ILE 70 N 0.00 1.26 -0.27 1.22 2.04 -0.65 -0.74 117.51 120.37 3doy h ILE 70 Ca -0.01 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 3doy h ILE 70 Cb 1.21 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 3doy h ILE 70 CO 0.07 0.37 0.13 0.58 0.00 0.00 0.00 178.15 179.30 3doy h VAL 71 N 0.65 1.16 -0.98 1.67 2.07 -1.12 -1.71 116.25 118.00 3doy h VAL 71 Ca 0.12 -0.46 0.10 0.00 0.82 0.00 0.00 66.70 67.29 3doy h VAL 71 Cb 0.53 0.95 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 3doy h VAL 71 CO 0.03 0.16 0.62 -0.08 0.02 0.00 0.00 177.57 178.32 3doy h GLU 72 N 0.30 0.98 -0.56 1.57 4.57 -0.98 0.05 114.58 120.51 3doy h GLU 72 Ca 0.09 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.12 3doy h GLU 72 Cb 0.14 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 3doy h GLU 72 CO -0.01 0.65 -0.02 0.78 -1.18 0.00 0.00 179.01 179.22 3doy h GLY 73 N 1.01 1.06 1.13 1.92 0.00 -0.60 -0.98 103.07 106.60 3doy h GLY 73 Ca 0.46 -0.77 -0.12 0.00 0.00 0.00 0.00 47.33 46.90 3doy h GLY 73 CO -0.22 0.71 -0.16 -0.33 0.00 0.00 0.00 176.54 176.54 3doy h MET 74 N 0.89 1.01 -0.62 4.80 2.86 -0.35 -2.26 114.93 121.25 3doy h MET 74 Ca 0.16 -0.40 -0.03 0.00 -2.06 0.00 0.00 59.70 57.37 3doy h MET 74 Cb 0.55 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 3doy h MET 74 CO 0.03 1.08 0.28 0.00 1.06 0.00 0.00 176.91 179.36 3doy h ALA 75 N 0.92 0.81 -0.59 6.32 0.00 -0.75 -0.21 119.26 125.75 3doy h ALA 75 Ca 0.13 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3doy h ALA 75 Cb 0.74 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3doy h ALA 75 CO 0.06 0.40 0.16 1.96 0.00 0.00 0.00 179.25 181.83 3doy h GLN 76 N 0.87 0.90 0.03 0.00 4.20 -1.08 0.26 115.11 120.29 3doy h GLN 76 Ca 0.21 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 3doy h GLN 76 Cb 0.16 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3doy h GLN 76 CO -0.02 0.79 -0.01 0.77 -0.67 0.00 0.00 178.83 179.69 3doy h SER 77 N 0.87 -0.03 -0.99 1.46 0.02 -0.91 -0.86 113.55 113.11 3doy h SER 77 Ca 0.19 -0.18 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 3doy h SER 77 Cb 0.28 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 3doy h SER 77 CO -0.00 0.17 0.65 1.23 -1.14 0.00 0.00 176.83 177.73 3doy h GLY 78 N -0.23 1.48 0.87 -3.77 0.00 -0.70 -1.31 103.07 99.41 3doy h GLY 78 Ca -0.00 -0.48 0.02 0.00 0.00 0.00 0.00 47.33 46.87 3doy h GLY 78 CO 0.01 0.38 0.27 -1.33 0.00 0.00 0.00 176.54 175.87 3doy h GLY 79 N 1.21 0.66 0.97 4.60 0.00 -0.03 0.19 103.07 110.67 3doy h GLY 79 Ca 0.41 -0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.55 3doy h GLY 79 CO -0.15 0.17 0.21 -2.75 0.00 0.00 0.00 176.54 174.02 3doy h PHE 80 N 0.54 0.39 -0.41 5.60 3.57 -0.48 -1.52 116.94 124.64 3doy h PHE 80 Ca 0.19 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.72 3doy h PHE 80 Cb 0.03 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 3doy h PHE 80 CO -0.07 0.24 0.24 1.25 -2.23 0.00 0.00 178.31 177.74 3doy h LEU 81 N 0.43 0.40 0.85 0.59 5.85 -0.72 -0.10 115.31 122.60 3doy h LEU 81 Ca 0.12 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3doy h LEU 81 Cb -0.03 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.92 3doy h LEU 81 CO -0.04 0.29 -0.47 0.00 -0.34 0.00 0.00 178.44 177.88 3doy h ALA 82 N 1.18 -1.24 -0.19 1.25 0.00 -0.29 0.23 119.26 120.20 3doy h ALA 82 Ca 0.16 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3doy h ALA 82 Cb 0.01 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3doy h ALA 82 CO -0.07 -1.21 -0.09 0.35 0.00 0.00 0.00 179.25 178.23 3doy h PHE 83 N -1.22 -0.20 -0.85 0.00 3.57 -1.24 -2.36 116.94 114.65 3doy h PHE 83 Ca -0.11 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.44 3doy h PHE 83 Cb 0.96 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.77 3doy h PHE 83 CO -0.06 -0.14 0.56 1.15 -2.23 0.00 0.00 178.31 177.59 3doy h THR 84 N -0.06 1.15 -0.13 4.41 2.02 -0.95 0.16 112.91 119.51 3doy h THR 84 Ca 0.10 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 66.85 3doy h THR 84 Cb 0.22 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 3doy h THR 84 CO -0.23 0.20 -0.23 0.28 0.37 0.00 0.00 175.52 175.90 3doy h SER 85 N 1.07 0.22 0.00 4.18 0.02 -0.04 0.76 113.55 119.76 3doy h SER 85 Ca 0.33 -0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 61.12 3doy h SER 85 Cb 0.00 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3doy h SER 85 CO -0.09 0.46 -0.60 -0.07 -1.14 0.00 0.00 176.83 175.38 3doy h LEU 86 N 0.20 0.00 -0.93 5.07 3.38 -0.80 -3.42 115.31 118.82 3doy h LEU 86 Ca 0.03 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.33 3doy h LEU 86 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3doy h LEU 86 CO 0.04 1.19 -0.18 0.79 0.09 0.00 0.00 178.44 180.37 3doy n TRP 87 N -4.54 0.00 -4.30 1.13 8.01 0.46 -5.11 117.44 113.10 3doy n TRP 87 Ca -0.20 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.99 3doy n TRP 87 Cb 0.54 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.84 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 0.88 -1.20 3.56 6.99 0.00 0.26 -4.21 105.19 111.48 3doy n GLY 88 Ca 0.05 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 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 2.85 -0.55 1.61 5.36 -1.26 -4.44 117.98 121.55 3doy s PHE 89 Ca 0.00 -1.63 0.02 0.00 -0.96 0.00 0.00 56.93 54.37 3doy s PHE 89 Cb 0.00 -4.70 0.14 0.00 -0.34 0.00 0.00 43.02 38.12 3doy s PHE 89 CO 0.00 -1.77 0.31 0.34 -1.46 0.00 0.00 175.22 172.64 3doy s ASP 90 N 4.12 4.53 0.19 6.13 -1.08 -1.26 -4.99 116.67 124.31 3doy s ASP 90 Ca 0.52 -3.01 -0.12 0.00 -0.52 0.00 0.00 52.55 49.42 3doy s ASP 90 Cb 0.03 -1.69 0.19 0.00 -1.46 0.00 0.00 42.92 39.99 3doy s ASP 90 CO 0.06 -0.26 1.76 -0.65 0.52 0.00 0.00 175.17 176.59 3doy h PRO 91 N 6.58 0.39 -0.95 4.34 0.11 -1.90 -0.99 132.00 139.59 3doy h PRO 91 Ca -0.06 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.07 3doy h PRO 91 Cb 0.90 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 31.87 3doy h PRO 91 CO 0.70 0.26 0.62 0.93 -0.21 0.00 0.00 178.00 180.30 3doy h GLU 92 N 0.40 1.14 0.08 1.05 4.39 -1.94 -1.19 114.58 118.52 3doy h GLU 92 Ca 0.25 -0.07 -0.24 0.00 0.34 0.00 0.00 59.36 59.64 3doy h GLU 92 Cb 0.26 -0.26 0.02 0.00 -0.10 0.00 0.00 28.75 28.68 3doy h GLU 92 CO -0.24 0.76 -1.01 0.82 -1.16 0.00 0.00 179.01 178.18 3doy h ILE 93 N 1.18 1.35 -0.97 3.13 2.04 -1.93 -3.22 117.51 119.09 3doy h ILE 93 Ca 0.38 -2.36 0.20 0.00 1.00 0.00 0.00 64.86 64.09 3doy h ILE 93 Cb 0.04 2.72 -0.09 0.00 -0.74 0.00 0.00 36.82 38.75 3doy h ILE 93 CO -0.12 0.70 0.62 0.00 0.00 0.00 0.00 178.15 179.35 3doy h ALA 94 N 0.27 1.94 0.00 1.87 0.00 -0.77 0.33 119.26 122.89 3doy h ALA 94 Ca -0.15 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3doy h ALA 94 Cb 1.71 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3doy h ALA 94 CO 0.19 -0.28 0.00 1.17 0.00 0.00 0.00 179.25 180.34 3doy n LYS 95 N -4.64 0.01 0.00 0.00 4.81 -0.48 -1.98 118.16 115.88 3doy n LYS 95 Ca 0.22 0.38 0.01 0.00 -0.87 0.00 0.00 58.31 58.06 3doy n LYS 95 Cb 0.65 -1.50 0.01 0.00 0.02 0.00 0.00 35.03 34.20 3doy n LYS 95 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3doy n THR 96 N -1.44 0.00 -4.29 3.15 -2.24 0.11 -4.95 114.28 104.62 3doy n THR 96 Ca 0.01 -0.49 -0.24 0.00 -2.27 0.00 0.00 64.05 61.06 3doy n THR 96 Cb 0.04 1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 69.23 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 -0.40 2.13 -0.24 -0.78 -0.14 -0.84 -1.12 119.74 118.35 3doy s LYS 97 Ca 0.02 -1.72 -0.17 0.00 -1.36 0.00 0.00 55.97 52.75 3doy s LYS 97 Cb 0.02 -1.97 0.07 0.00 -1.68 0.00 0.00 37.83 34.27 3doy s LYS 97 CO 0.04 0.13 0.62 -1.50 -0.76 0.00 0.00 175.35 173.88 3doy s ILE 98 N -2.50 -0.00 0.06 2.17 2.07 0.07 -4.70 121.20 118.36 3doy s ILE 98 Ca 0.35 0.02 -0.20 0.00 -1.41 0.00 0.00 60.65 59.42 3doy s ILE 98 Cb -0.00 -0.89 -0.07 0.00 0.13 0.00 0.00 42.46 41.63 3doy s ILE 98 CO 0.20 0.01 0.57 -0.69 -1.91 0.00 0.00 174.94 173.12 3doy s VAL 99 N 1.15 4.76 0.03 4.00 1.01 -1.26 -0.34 120.40 129.75 3doy s VAL 99 Ca -0.06 1.23 0.06 0.00 0.00 0.00 0.00 61.98 63.20 3doy s VAL 99 Cb -0.05 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 3doy s VAL 99 CO -0.12 0.54 -0.17 -0.31 0.00 0.00 0.00 175.10 175.04 3doy s TYR 100 N -0.98 1.46 0.09 5.22 4.12 0.94 -4.94 117.35 123.25 3doy s TYR 100 Ca 0.29 -0.34 -0.31 0.00 0.02 0.00 0.00 57.07 56.73 3doy s TYR 100 Cb -0.19 -0.88 -0.07 0.00 -1.52 0.00 0.00 41.96 39.30 3doy s TYR 100 CO 0.19 0.04 1.27 -0.06 0.02 0.00 0.00 175.55 177.02 3doy s PHE 101 N -0.74 3.36 -0.18 2.71 2.99 -1.26 -0.68 117.98 124.18 3doy s PHE 101 Ca 0.04 1.16 -0.05 0.00 0.00 0.00 0.00 56.93 58.09 3doy s PHE 101 Cb -0.08 -3.53 -0.09 0.00 0.00 0.00 0.00 43.02 39.33 3doy s PHE 101 CO 0.01 -1.72 -0.20 -1.33 -0.00 0.00 0.00 175.22 171.98 3doy n MET 102 N 3.90 0.40 -3.86 0.44 2.81 -0.15 -4.90 117.12 115.76 3doy n MET 102 Ca 0.10 0.14 -0.09 0.00 -1.81 0.00 0.00 57.70 56.04 3doy n MET 102 Cb 0.45 -1.21 -0.07 0.00 -0.71 0.00 0.00 33.22 31.68 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 -2.33 0.11 -0.05 2.03 -4.23 -1.10 -4.99 115.64 105.07 3doy s THR 103 Ca -0.24 -1.17 -0.02 0.00 -1.18 0.00 0.00 61.69 59.07 3doy s THR 103 Cb 0.08 -1.49 0.04 0.00 1.34 0.00 0.00 72.50 72.47 3doy s THR 103 CO 0.34 -0.49 0.12 -0.63 -0.54 0.00 0.00 174.62 173.43 3doy s ILE 104 N -3.89 -0.05 0.10 2.99 1.01 -1.26 -2.38 121.20 117.72 3doy s ILE 104 Ca 0.09 0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.86 3doy s ILE 104 Cb 0.04 -0.20 -0.02 0.00 0.01 0.00 0.00 42.46 42.28 3doy s ILE 104 CO -0.07 0.07 0.13 -1.81 0.00 0.00 0.00 174.94 173.25 3doy s ASP 105 N 1.09 0.24 -1.49 3.58 1.11 0.54 -4.94 116.67 116.80 3doy s ASP 105 Ca -0.09 -0.90 -0.10 0.00 0.18 0.00 0.00 52.55 51.64 3doy s ASP 105 Cb -0.11 0.31 0.07 0.00 1.07 0.00 0.00 42.92 44.26 3doy s ASP 105 CO -0.05 -0.73 0.84 0.29 1.18 0.00 0.00 175.17 176.70 3doy n LYS 106 N -0.05 -4.85 -2.97 8.23 5.02 -1.26 -1.78 118.16 120.48 3doy n LYS 106 Ca -0.11 0.55 -0.41 0.00 -2.02 0.00 0.00 58.31 56.32 3doy n LYS 106 Cb 0.62 -5.27 -0.04 0.00 -0.02 0.00 0.00 35.03 30.32 3doy n LYS 106 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3doy s VAL 107 N -3.45 4.97 -0.06 -0.18 1.01 -1.26 -3.90 120.40 117.53 3doy s VAL 107 Ca 0.46 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.97 3doy s VAL 107 Cb -0.24 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.08 3doy s VAL 107 CO 0.85 0.15 -0.05 -0.75 0.00 0.00 0.00 175.10 175.30 3doy s LYS 108 N 1.43 0.96 -0.33 2.72 2.36 0.19 -4.96 119.74 122.13 3doy s LYS 108 Ca 0.38 -0.11 -0.12 0.00 -2.55 0.00 0.00 55.97 53.57 3doy s LYS 108 Cb -0.17 -1.03 -0.02 0.00 -1.05 0.00 0.00 37.83 35.55 3doy s LYS 108 CO 0.16 -0.15 0.23 -0.06 1.55 0.00 0.00 175.35 177.08 3doy s PHE 109 N 1.24 3.22 -0.20 4.03 2.99 -1.26 -0.28 117.98 127.72 3doy s PHE 109 Ca -0.06 -0.16 0.08 0.00 0.00 0.00 0.00 56.93 56.79 3doy s PHE 109 Cb -0.14 -2.45 -0.17 0.00 0.00 0.00 0.00 43.02 40.26 3doy s PHE 109 CO -0.02 -0.32 -0.08 0.54 -0.00 0.00 0.00 175.22 175.34 3doy n ARG 110 N 5.09 0.85 -3.82 0.44 1.74 0.52 -4.98 116.66 116.51 3doy n ARG 110 Ca -0.13 0.06 -0.13 0.00 -0.77 0.00 0.00 57.85 56.88 3doy n ARG 110 Cb 0.50 -1.44 -0.15 0.00 -1.02 0.00 0.00 32.46 30.36 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 -2.43 -0.03 0.38 0.55 1.01 -0.95 -5.00 121.20 114.73 3doy s ILE 111 Ca -0.20 0.10 -0.27 0.00 0.00 0.00 0.00 60.65 60.28 3doy s ILE 111 Cb 0.06 -0.05 -0.09 0.00 0.01 0.00 0.00 42.46 42.39 3doy s ILE 111 CO 0.59 0.04 1.30 -2.16 0.00 0.00 0.00 174.94 174.71 3doy s PRO 112 N 0.49 4.12 -0.17 2.79 0.04 -1.26 -4.80 135.00 136.21 3doy s PRO 112 Ca -0.04 2.17 -0.08 0.00 0.04 0.00 0.00 61.00 63.09 3doy s PRO 112 Cb -0.06 -2.88 -0.04 0.00 0.04 0.00 0.00 34.50 31.56 3doy s PRO 112 CO -0.01 -0.37 0.11 0.08 0.04 0.00 0.00 177.00 176.85 3doy s VAL 113 N -1.22 5.25 0.24 -0.36 1.01 -1.26 -5.03 120.40 119.03 3doy s VAL 113 Ca 0.54 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.66 3doy s VAL 113 Cb -0.38 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 3doy s VAL 113 CO 0.50 0.50 0.06 0.42 0.00 0.00 0.00 175.10 176.58 3doy s THR 114 N -0.04 0.68 0.23 3.92 -4.23 -1.26 -0.91 115.64 114.04 3doy s THR 114 Ca 0.09 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.29 3doy s THR 114 Cb -0.12 -2.51 -0.14 0.00 1.34 0.00 0.00 72.50 71.08 3doy s THR 114 CO 0.00 -0.14 1.38 -2.65 -0.54 0.00 0.00 174.62 172.67 3doy n PRO 115 N -0.43 1.93 0.00 3.99 -0.02 -1.26 -1.58 135.00 137.63 3doy n PRO 115 Ca -0.02 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3doy n PRO 115 Cb 0.65 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 2.12 2.61 3.84 -1.23 0.00 0.96 -4.92 105.19 108.58 3doy n GLY 116 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.45 6.79 -0.41 1.61 -0.00 -0.61 -4.89 116.67 117.71 3doy s ASP 117 Ca 0.00 1.47 -0.06 0.00 -0.00 0.00 0.00 52.55 53.96 3doy s ASP 117 Cb 0.00 -2.46 0.10 0.00 -0.00 0.00 0.00 42.92 40.56 3doy s ASP 117 CO 0.00 -0.34 0.23 -0.60 -0.00 0.00 0.00 175.17 174.46 3doy s ARG 118 N -3.31 2.33 -0.66 8.23 3.52 -1.26 -1.12 118.95 126.69 3doy s ARG 118 Ca 0.58 -1.64 -0.28 0.00 -0.13 0.00 0.00 55.73 54.26 3doy s ARG 118 Cb -0.10 -3.68 0.03 0.00 -1.56 0.00 0.00 34.95 29.65 3doy s ARG 118 CO 0.19 -1.01 1.24 -1.17 -0.81 0.00 0.00 175.30 173.74 3doy s LEU 119 N 1.29 3.30 -0.22 -0.88 2.96 -0.39 -4.46 118.68 120.28 3doy s LEU 119 Ca 0.05 -0.16 -0.19 0.00 -0.22 0.00 0.00 54.13 53.60 3doy s LEU 119 Cb -0.23 -2.86 -0.03 0.00 0.50 0.00 0.00 46.19 43.57 3doy s LEU 119 CO -0.01 -1.67 0.56 -0.70 -1.32 0.00 0.00 176.35 173.21 3doy s GLU 120 N 5.36 4.15 -0.23 1.98 2.12 0.37 -0.66 118.70 131.79 3doy s GLU 120 Ca 0.39 0.45 -0.14 0.00 0.36 0.00 0.00 54.97 56.04 3doy s GLU 120 Cb -0.08 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 3doy s GLU 120 CO 0.20 -0.26 0.33 0.71 -0.54 0.00 0.00 175.26 175.70 3doy s TYR 121 N 2.01 3.33 -0.35 5.30 4.12 0.42 -0.10 117.35 132.08 3doy s TYR 121 Ca 0.25 0.47 0.02 0.00 0.02 0.00 0.00 57.07 57.82 3doy s TYR 121 Cb -0.16 -2.47 0.10 0.00 -1.52 0.00 0.00 41.96 37.91 3doy s TYR 121 CO 0.09 -0.04 0.07 -1.01 0.02 0.00 0.00 175.55 174.68 3doy s HIS 122 N 1.43 3.69 -0.02 2.71 3.76 -0.10 -1.34 115.29 125.42 3doy s HIS 122 Ca 0.15 -2.81 0.05 0.00 -0.15 0.00 0.00 55.06 52.30 3doy s HIS 122 Cb -0.15 -2.92 -0.03 0.00 1.11 0.00 0.00 32.58 30.59 3doy s HIS 122 CO 0.08 -0.95 -0.15 -0.51 -0.85 0.00 0.00 174.74 172.36 3doy s LEU 123 N 0.97 2.73 0.01 0.89 2.01 -0.71 -1.17 118.68 123.41 3doy s LEU 123 Ca 0.09 -0.26 0.04 0.00 0.01 0.00 0.00 54.13 54.01 3doy s LEU 123 Cb -0.20 -1.57 -0.01 0.00 0.01 0.00 0.00 46.19 44.42 3doy s LEU 123 CO -0.07 0.31 -0.13 -1.61 1.01 0.00 0.00 176.35 175.87 3doy s GLU 124 N -1.00 0.94 -0.32 1.70 2.02 -0.14 -1.16 118.70 120.74 3doy s GLU 124 Ca 0.13 -0.55 -0.29 0.00 0.02 0.00 0.00 54.97 54.28 3doy s GLU 124 Cb -0.11 -0.92 0.00 0.00 0.10 0.00 0.00 34.13 33.21 3doy s GLU 124 CO 0.03 0.24 1.30 0.08 0.02 0.00 0.00 175.26 176.92 3doy s VAL 125 N -0.51 4.13 -0.08 2.63 1.01 0.95 -1.84 120.40 126.69 3doy s VAL 125 Ca 0.03 1.26 0.14 0.00 0.00 0.00 0.00 61.98 63.42 3doy s VAL 125 Cb -0.06 -4.19 -0.19 0.00 0.00 0.00 0.00 36.38 31.94 3doy s VAL 125 CO 0.00 -0.53 0.75 -0.07 0.00 0.00 0.00 175.10 175.25 3doy h LEU 126 N 11.00 0.00 -6.70 3.92 3.38 -1.21 -3.47 115.31 122.24 3doy h LEU 126 Ca -0.26 0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.88 3doy h LEU 126 Cb 1.10 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.57 3doy h LEU 126 CO 1.04 0.81 0.41 -0.75 0.09 0.00 0.00 178.44 180.05 3doy s LYS 127 N -2.74 0.25 0.07 1.13 2.20 -0.97 -5.00 119.74 114.67 3doy s LYS 127 Ca -0.04 0.51 0.07 0.00 -0.36 0.00 0.00 55.97 56.15 3doy s LYS 127 Cb 0.08 0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.56 3doy s LYS 127 CO 0.82 -0.07 -0.19 -3.38 -0.36 0.00 0.00 175.35 172.17 3doy s HIS 128 N 1.78 1.63 -0.35 4.03 -3.43 -1.26 -0.77 115.29 116.93 3doy s HIS 128 Ca -0.05 -0.40 0.07 0.00 -0.80 0.00 0.00 55.06 53.88 3doy s HIS 128 Cb -0.04 -0.94 0.19 0.00 -1.43 0.00 0.00 32.58 30.37 3doy s HIS 128 CO -0.15 0.12 0.62 0.21 -2.00 0.00 0.00 174.74 173.53 3doy s LYS 129 N -1.50 0.68 7.08 -0.38 2.20 -0.34 -5.02 119.74 122.46 3doy s LYS 129 Ca 0.05 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.81 3doy s LYS 129 Cb -0.09 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.40 3doy s LYS 129 CO 0.03 -1.11 0.00 0.41 -0.36 0.00 0.00 175.35 174.32 3doy n GLY 130 N 4.93 2.08 0.21 5.54 0.00 -1.26 -2.16 105.19 114.54 3doy n GLY 130 Ca 0.08 -0.38 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 13.07 1.29 -3.61 1.61 2.81 -1.26 -4.77 117.12 126.26 3doy n MET 131 Ca 0.00 -0.42 -0.39 0.00 -1.81 0.00 0.00 57.70 55.08 3doy n MET 131 Cb 0.00 -1.45 -0.11 0.00 -0.71 0.00 0.00 33.22 30.95 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 -1.98 4.94 -0.09 2.02 -1.09 -0.92 -1.27 121.20 122.82 3doy s ILE 132 Ca 0.40 -0.18 0.03 0.00 -2.23 0.00 0.00 60.65 58.66 3doy s ILE 132 Cb 0.20 -3.46 0.01 0.00 -1.58 0.00 0.00 42.46 37.63 3doy s ILE 132 CO 0.32 0.12 -0.16 0.26 -1.23 0.00 0.00 174.94 174.25 3doy s TRP 133 N 1.68 1.93 -0.23 3.97 0.52 -0.76 -1.20 118.94 124.85 3doy s TRP 133 Ca 0.06 -0.81 -0.03 0.00 0.02 0.00 0.00 56.10 55.34 3doy s TRP 133 Cb -0.17 -1.36 0.00 0.00 -1.15 0.00 0.00 33.47 30.79 3doy s TRP 133 CO 0.08 -0.38 -0.05 -0.65 0.02 0.00 0.00 176.95 175.97 3doy s GLN 134 N 0.68 3.19 0.18 4.98 -0.21 0.05 0.12 119.66 128.66 3doy s GLN 134 Ca -0.13 -0.74 0.08 0.00 0.02 0.00 0.00 55.36 54.59 3doy s GLN 134 Cb -0.16 -2.99 -0.04 0.00 1.00 0.00 0.00 33.01 30.82 3doy s GLN 134 CO 0.03 -0.26 -0.17 0.14 -2.12 0.00 0.00 175.29 172.91 3doy s VAL 135 N 1.43 1.80 0.03 1.09 -7.23 0.91 -0.63 120.40 117.81 3doy s VAL 135 Ca 0.04 -2.04 -0.12 0.00 -1.81 0.00 0.00 61.98 58.06 3doy s VAL 135 Cb -0.15 -1.92 0.01 0.00 0.56 0.00 0.00 36.38 34.88 3doy s VAL 135 CO -0.04 -0.42 0.25 -0.83 -0.31 0.00 0.00 175.10 173.74 3doy s GLY 136 N -2.93 -0.05 0.00 2.32 0.00 -0.76 -0.42 107.32 105.47 3doy s GLY 136 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.83 3doy s GLY 136 CO 0.07 -0.27 0.00 0.61 0.00 0.00 0.00 173.10 173.51 3doy n GLY 137 N 0.79 -0.63 3.18 0.20 0.00 -0.48 -0.96 105.19 107.28 3doy n GLY 137 Ca -0.19 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.46 0.13 -0.17 2.61 -4.23 -0.32 -2.21 115.64 107.99 3doy s THR 138 Ca 0.00 -1.66 -0.02 0.00 -1.18 0.00 0.00 61.69 58.83 3doy s THR 138 Cb 0.00 -1.75 -0.01 0.00 1.34 0.00 0.00 72.50 72.08 3doy s THR 138 CO 0.00 -0.60 -0.08 0.00 -0.54 0.00 0.00 174.62 173.39 3doy s ALA 139 N -3.97 2.75 0.17 3.99 0.00 -0.15 -0.92 121.76 123.62 3doy s ALA 139 Ca 0.15 -1.00 0.10 0.00 0.00 0.00 0.00 51.96 51.21 3doy s ALA 139 Cb 0.06 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 3doy s ALA 139 CO -0.04 -0.04 -0.22 -0.65 0.00 0.00 0.00 175.76 174.81 3doy s GLN 140 N 0.82 1.38 -0.09 0.00 -0.21 0.86 -0.50 119.66 121.91 3doy s GLN 140 Ca -0.03 -1.42 -0.03 0.00 0.02 0.00 0.00 55.36 53.90 3doy s GLN 140 Cb -0.15 -1.63 0.04 0.00 1.00 0.00 0.00 33.01 32.27 3doy s GLN 140 CO 0.01 0.35 0.05 0.08 -2.12 0.00 0.00 175.29 173.66 3doy s VAL 141 N -1.66 0.09 -1.38 1.09 1.01 -0.37 -0.48 120.40 118.70 3doy s VAL 141 Ca 0.17 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.24 3doy s VAL 141 Cb -0.08 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 35.87 3doy s VAL 141 CO 0.08 0.05 0.59 -0.67 0.00 0.00 0.00 175.10 175.15 3doy n ASP 142 N 5.23 -1.07 0.00 3.32 2.03 -1.26 -1.80 116.55 123.00 3doy n ASP 142 Ca -0.06 -0.91 0.00 0.00 0.52 0.00 0.00 54.79 54.35 3doy n ASP 142 Cb 0.49 -3.55 0.00 0.00 -0.72 0.00 0.00 41.12 37.35 3doy n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3doy n GLY 143 N -1.76 2.91 3.88 0.27 0.00 -1.26 -5.02 105.19 104.21 3doy n GLY 143 Ca -0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.09 3.47 -0.25 1.61 1.02 -0.75 -5.06 119.74 119.70 3doy s LYS 144 Ca 0.00 -0.15 -0.29 0.00 0.02 0.00 0.00 55.97 55.55 3doy s LYS 144 Cb 0.00 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.15 3doy s LYS 144 CO 0.00 0.74 1.30 0.08 -0.92 0.00 0.00 175.35 176.55 3doy s VAL 145 N -1.13 4.17 -0.22 3.17 1.01 -1.26 -1.23 120.40 124.91 3doy s VAL 145 Ca 0.20 1.35 0.21 0.00 0.00 0.00 0.00 61.98 63.74 3doy s VAL 145 Cb -0.12 -4.08 -0.31 0.00 0.00 0.00 0.00 36.38 31.87 3doy s VAL 145 CO 0.09 -0.35 0.55 1.33 0.00 0.00 0.00 175.10 176.72 3doy n VAL 146 N 5.93 0.00 -3.50 2.92 0.24 0.35 -4.50 118.33 119.77 3doy n VAL 146 Ca 0.15 -0.39 -0.15 0.00 -2.04 0.00 0.00 64.34 61.90 3doy n VAL 146 Cb 0.46 0.21 -0.05 0.00 -1.47 0.00 0.00 33.84 32.99 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 -3.37 -1.61 0.01 2.33 0.00 -1.03 -0.35 121.76 117.74 3doy s ALA 147 Ca -0.05 0.88 0.03 0.00 0.00 0.00 0.00 51.96 52.83 3doy s ALA 147 Cb 0.14 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 3doy s ALA 147 CO 0.88 -0.53 -0.11 -1.21 0.00 0.00 0.00 175.76 174.79 3doy s GLU 148 N -2.30 0.79 0.11 0.00 2.02 0.61 -0.98 118.70 118.94 3doy s GLU 148 Ca -0.06 -0.52 -0.25 0.00 0.02 0.00 0.00 54.97 54.16 3doy s GLU 148 Cb -0.01 -0.75 0.08 0.00 0.10 0.00 0.00 34.13 33.55 3doy s GLU 148 CO -0.00 0.19 0.68 0.00 0.02 0.00 0.00 175.26 176.15 3doy s ALA 149 N -0.56 -1.66 -0.06 5.21 0.00 -0.94 -0.63 121.76 123.12 3doy s ALA 149 Ca 0.01 0.66 -0.05 0.00 0.00 0.00 0.00 51.96 52.58 3doy s ALA 149 Cb -0.06 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.80 3doy s ALA 149 CO 0.00 -0.73 0.15 -2.00 0.00 0.00 0.00 175.76 173.18 3doy s GLU 150 N -3.48 0.17 0.08 0.00 2.12 -0.74 -1.38 118.70 115.48 3doy s GLU 150 Ca 0.02 0.21 -0.22 0.00 0.36 0.00 0.00 54.97 55.34 3doy s GLU 150 Cb -0.01 0.07 0.05 0.00 0.26 0.00 0.00 34.13 34.50 3doy s GLU 150 CO -0.11 -0.03 0.53 -0.48 -0.54 0.00 0.00 175.26 174.63 3doy s LEU 151 N 0.13 -0.14 -0.11 2.70 0.05 0.44 -0.34 118.68 121.42 3doy s LEU 151 Ca -0.00 0.08 0.02 0.00 0.05 0.00 0.00 54.13 54.27 3doy s LEU 151 Cb -0.02 2.21 -0.01 0.00 -2.05 0.00 0.00 46.19 46.32 3doy s LEU 151 CO -0.00 -0.80 -0.18 -0.75 -0.55 0.00 0.00 176.35 174.07 3doy s LYS 152 N -2.92 3.14 0.37 1.48 2.20 -1.00 -0.06 119.74 122.95 3doy s LYS 152 Ca -0.03 -0.78 0.08 0.00 -0.36 0.00 0.00 55.97 54.88 3doy s LYS 152 Cb -0.00 -2.45 -0.07 0.00 -1.51 0.00 0.00 37.83 33.79 3doy s LYS 152 CO -0.06 0.24 -0.02 0.00 -0.36 0.00 0.00 175.35 175.15 3doy s ALA 153 N 0.24 2.99 -0.04 3.13 0.00 0.32 -0.98 121.76 127.42 3doy s ALA 153 Ca -0.12 -2.20 0.03 0.00 0.00 0.00 0.00 51.96 49.67 3doy s ALA 153 Cb -0.16 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.10 3doy s ALA 153 CO 0.06 -0.07 -0.10 1.41 0.00 0.00 0.00 175.76 177.07 3doy s MET 154 N -3.69 1.20 -0.44 0.00 0.00 0.14 -1.84 119.30 114.67 3doy s MET 154 Ca 0.34 -0.35 -0.17 0.00 0.00 0.00 0.00 55.69 55.52 3doy s MET 154 Cb 0.07 -1.08 0.04 0.00 0.00 0.00 0.00 34.83 33.86 3doy s MET 154 CO 0.17 0.10 0.42 0.42 0.00 0.00 0.00 175.02 176.13 3doy s ILE 155 N 0.33 5.13 0.48 10.11 1.01 -0.40 -0.04 121.20 137.82 3doy s ILE 155 Ca -0.06 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 60.03 3doy s ILE 155 Cb -0.11 -4.08 -0.01 0.00 0.01 0.00 0.00 42.46 38.27 3doy s ILE 155 CO 0.01 -0.49 0.24 0.00 0.00 0.00 0.00 174.94 174.70 3doy s ALA 156 N 1.99 4.00 0.47 9.38 0.00 0.54 -4.86 121.76 133.28 3doy s ALA 156 Ca 0.09 -1.50 -0.19 0.00 0.00 0.00 0.00 51.96 50.35 3doy s ALA 156 Cb -0.20 -0.47 -0.09 0.00 0.00 0.00 0.00 23.12 22.36 3doy s ALA 156 CO 0.11 -0.25 0.98 -1.21 0.00 0.00 0.00 175.76 175.39 3doy s GLU 157 N -4.05 4.04 0.15 0.00 0.41 -1.26 -0.75 118.70 117.24 3doy s GLU 157 Ca 0.33 1.12 0.25 0.00 -0.41 0.00 0.00 54.97 56.26 3doy s GLU 157 Cb 0.01 -2.15 0.45 0.00 -1.78 0.00 0.00 34.13 30.66 3doy s GLU 157 CO 0.19 -0.20 1.43 -0.09 -0.49 0.00 0.00 175.26 176.11 3doy h ARG 158 N 1.53 0.00 0.00 1.61 2.43 -1.40 -3.43 114.38 115.12 3doy h ARG 158 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3doy h ARG 158 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3doy h ARG 158 CO 0.61 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 179.46