#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3doy n SER 10 N 0.00 4.48 -3.92 1.69 2.88 -1.26 -4.71 113.62 112.77 3doy n SER 10 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 3doy n SER 10 Cb 0.00 0.82 -0.16 0.00 -0.75 0.00 0.00 64.21 64.12 3doy n SER 10 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 3doy s GLN 11 N -1.81 0.88 0.04 -1.46 0.74 -1.26 -2.11 119.66 114.68 3doy s GLN 11 Ca 0.00 -0.16 0.04 0.00 0.05 0.00 0.00 55.36 55.29 3doy s GLN 11 Cb 0.00 -0.85 -0.02 0.00 1.10 0.00 0.00 33.01 33.24 3doy s GLN 11 CO 0.00 -0.03 -0.13 -0.06 -0.55 0.00 0.00 175.29 174.52 3doy s PHE 12 N 0.72 1.14 0.54 1.67 0.40 -0.60 -5.00 117.98 116.85 3doy s PHE 12 Ca -0.10 -0.36 0.08 0.00 -0.60 0.00 0.00 56.93 55.95 3doy s PHE 12 Cb -0.13 -0.67 0.06 0.00 0.51 0.00 0.00 43.02 42.78 3doy s PHE 12 CO 0.01 0.02 0.65 -0.06 0.70 0.00 0.00 175.22 176.54 3doy s PHE 13 N -0.89 1.69 0.43 0.36 0.40 -1.26 -0.87 117.98 117.84 3doy s PHE 13 Ca 0.00 -0.71 0.22 0.00 -0.60 0.00 0.00 56.93 55.85 3doy s PHE 13 Cb -0.08 -2.15 1.20 0.00 0.51 0.00 0.00 43.02 42.50 3doy s PHE 13 CO 0.01 -0.85 1.79 0.97 0.70 0.00 0.00 175.22 177.84 3doy h ILE 14 N 0.42 0.51 -0.54 0.64 6.09 -1.90 -0.36 117.51 122.37 3doy h ILE 14 Ca -0.33 -0.10 -0.11 0.00 -1.37 0.00 0.00 64.86 62.95 3doy h ILE 14 Cb 1.29 0.18 -0.02 0.00 0.47 0.00 0.00 36.82 38.74 3doy h ILE 14 CO 0.46 0.06 -0.08 -0.33 -3.07 0.00 0.00 178.15 175.18 3doy h GLU 15 N 0.30 1.00 -0.29 2.19 3.07 -1.94 -1.48 114.58 117.44 3doy h GLU 15 Ca 0.58 -0.35 -0.14 0.00 -0.50 0.00 0.00 59.36 58.95 3doy h GLU 15 Cb 1.64 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.46 3doy h GLU 15 CO -0.23 1.03 -0.37 0.45 -1.40 0.00 0.00 179.01 178.50 3doy h HIS 16 N 0.90 0.79 -0.56 4.33 3.86 -1.46 -2.84 115.15 120.17 3doy h HIS 16 Ca 0.15 -0.22 -0.09 0.00 -1.16 0.00 0.00 60.37 59.05 3doy h HIS 16 Cb 0.64 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 3doy h HIS 16 CO 0.04 0.94 0.01 0.82 0.86 0.00 0.00 177.93 180.60 3doy h ILE 17 N 0.56 1.26 0.00 2.45 2.04 -1.15 -2.68 117.51 119.99 3doy h ILE 17 Ca 0.05 -1.09 -0.04 0.00 1.00 0.00 0.00 64.86 64.78 3doy h ILE 17 Cb 0.89 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 3doy h ILE 17 CO 0.08 0.39 -0.19 -0.07 0.00 0.00 0.00 178.15 178.36 3doy h LEU 18 N 0.89 0.00 0.00 1.44 3.38 -1.08 -0.80 115.31 119.14 3doy h LEU 18 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3doy h LEU 18 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3doy h LEU 18 CO 0.03 0.19 -0.33 0.00 0.09 0.00 0.00 178.44 178.41 3doy n GLN 19 N -4.05 0.10 -0.04 1.13 6.02 -1.03 -4.47 117.38 115.04 3doy n GLN 19 Ca -0.02 0.04 -0.06 0.00 -0.01 0.00 0.00 57.00 56.96 3doy n GLN 19 Cb 0.27 -1.58 -0.02 0.00 1.02 0.00 0.00 30.24 29.93 3doy n GLN 19 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3doy n ILE 20 N -1.73 1.38 -2.45 5.09 2.08 -0.89 -4.35 119.36 118.49 3doy n ILE 20 Ca 0.05 0.24 -0.38 0.00 0.56 0.00 0.00 62.75 63.23 3doy n ILE 20 Cb 0.37 -2.05 -0.03 0.00 -0.75 0.00 0.00 39.64 37.17 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 -7.53 4.27 0.27 1.39 1.43 -0.36 -4.73 118.68 113.42 3doy s LEU 21 Ca -0.18 2.20 0.24 0.00 -1.03 0.00 0.00 54.13 55.36 3doy s LEU 21 Cb 0.02 -3.98 0.38 0.00 0.03 0.00 0.00 46.19 42.64 3doy s LEU 21 CO 0.27 -0.45 1.47 1.55 0.23 0.00 0.00 176.35 179.41 3doy h PRO 22 N 2.90 0.00 -6.96 1.29 0.13 -1.88 -3.44 132.00 124.05 3doy h PRO 22 Ca -0.48 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.09 3doy h PRO 22 Cb 1.22 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.50 3doy h PRO 22 CO 0.64 0.00 0.36 0.72 -0.23 0.00 0.00 178.00 179.49 3doy n HIS 23 N -2.61 1.55 -4.17 1.56 8.25 -1.26 -5.04 115.22 113.50 3doy n HIS 23 Ca 0.03 0.44 -0.15 0.00 -0.26 0.00 0.00 57.72 57.78 3doy n HIS 23 Cb 0.49 -2.24 -0.07 0.00 1.12 0.00 0.00 29.99 29.29 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 -2.94 1.61 0.32 -0.41 1.81 -1.26 -4.69 118.95 113.39 3doy s ARG 24 Ca 0.76 -1.75 -0.29 0.00 -1.72 0.00 0.00 55.73 52.73 3doy s ARG 24 Cb -0.41 0.36 -0.12 0.00 -0.45 0.00 0.00 34.95 34.33 3doy s ARG 24 CO 0.46 -0.61 1.55 0.98 -0.68 0.00 0.00 175.30 177.00 3doy n TYR 25 N -0.48 2.86 -1.17 -0.53 4.19 -1.26 0.17 117.16 120.94 3doy n TYR 25 Ca 0.03 0.33 -0.28 0.00 3.31 0.00 0.00 57.90 61.28 3doy n TYR 25 Cb 0.63 -2.57 0.10 0.00 0.49 0.00 0.00 39.34 37.99 3doy n TYR 25 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3doy n PRO 26 N 1.58 2.40 -0.09 2.98 -0.04 -1.26 -4.91 135.00 135.66 3doy n PRO 26 Ca 0.06 -2.88 0.05 0.00 -0.04 0.00 0.00 63.50 60.69 3doy n PRO 26 Cb 0.37 -2.13 0.06 0.00 -0.04 0.00 0.00 33.50 31.77 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 -0.78 1.62 -3.26 0.54 2.81 0.45 -4.92 117.12 113.57 3doy n MET 27 Ca 0.56 -1.86 -0.45 0.00 -1.81 0.00 0.00 57.70 54.14 3doy n MET 27 Cb 0.93 -1.13 -0.06 0.00 -0.71 0.00 0.00 33.22 32.25 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 -1.67 5.73 -0.36 4.03 2.96 -0.83 -4.50 118.68 124.04 3doy s LEU 28 Ca 0.15 -1.50 0.07 0.00 -0.22 0.00 0.00 54.13 52.62 3doy s LEU 28 Cb 0.13 -2.25 0.59 0.00 0.50 0.00 0.00 46.19 45.15 3doy s LEU 28 CO 0.01 -0.88 1.68 0.18 -1.32 0.00 0.00 176.35 176.02 3doy n LEU 29 N 5.61 5.34 -3.85 -0.68 4.77 -1.26 -4.89 117.00 122.04 3doy n LEU 29 Ca -0.12 -3.68 -0.24 0.00 -0.03 0.00 0.00 56.01 51.94 3doy n LEU 29 Cb 0.42 -0.73 -0.17 0.00 -2.33 0.00 0.00 43.42 40.61 3doy n LEU 29 CO 0.54 1.15 -0.41 -0.69 -1.33 0.00 0.00 177.39 176.64 3doy s VAL 30 N -3.26 0.68 -0.15 4.08 1.01 -1.26 -4.61 120.40 116.90 3doy s VAL 30 Ca 0.50 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.49 3doy s VAL 30 Cb 0.44 -0.76 -0.23 0.00 0.00 0.00 0.00 36.38 35.83 3doy s VAL 30 CO 0.05 0.30 0.26 0.47 0.00 0.00 0.00 175.10 176.18 3doy n ASP 31 N 4.91 0.99 -3.63 3.32 8.00 -0.40 -4.95 116.55 124.80 3doy n ASP 31 Ca -0.11 0.14 -0.16 0.00 0.71 0.00 0.00 54.79 55.37 3doy n ASP 31 Cb 0.50 0.10 -0.07 0.00 -0.02 0.00 0.00 41.12 41.62 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 -2.54 0.87 -0.23 -1.24 3.52 -0.88 -3.01 118.95 115.44 3doy s ARG 32 Ca -0.15 0.09 -0.03 0.00 -0.13 0.00 0.00 55.73 55.51 3doy s ARG 32 Cb 0.07 0.40 0.00 0.00 -1.56 0.00 0.00 34.95 33.87 3doy s ARG 32 CO 0.78 -0.25 -0.06 0.42 -0.81 0.00 0.00 175.30 175.38 3doy s ILE 33 N -1.18 3.15 -0.04 4.11 1.01 -0.05 -1.18 121.20 127.03 3doy s ILE 33 Ca -0.12 -0.68 0.13 0.00 0.00 0.00 0.00 60.65 59.98 3doy s ILE 33 Cb -0.02 -2.48 -0.21 0.00 0.01 0.00 0.00 42.46 39.76 3doy s ILE 33 CO 0.07 0.36 0.76 0.71 0.00 0.00 0.00 174.94 176.84 3doy h THR 34 N 5.84 0.86 -2.23 2.92 1.35 -1.28 -1.61 112.91 118.76 3doy h THR 34 Ca -0.39 -2.63 -0.07 0.00 -0.55 0.00 0.00 66.41 62.77 3doy h THR 34 Cb 1.14 2.39 -0.21 0.00 -1.73 0.00 0.00 68.15 69.74 3doy h THR 34 CO 0.60 0.49 0.03 -1.83 -0.25 0.00 0.00 175.52 174.56 3doy s GLU 35 N -2.67 0.79 -0.06 4.72 -1.05 -1.06 -4.49 118.70 114.88 3doy s GLU 35 Ca -0.04 0.70 -0.02 0.00 -0.15 0.00 0.00 54.97 55.46 3doy s GLU 35 Cb 0.08 0.38 0.04 0.00 -0.44 0.00 0.00 34.13 34.19 3doy s GLU 35 CO 0.82 -0.14 0.12 -1.17 0.95 0.00 0.00 175.26 175.84 3doy s LEU 36 N -0.04 0.57 -0.28 1.83 2.96 -0.90 -0.72 118.68 122.11 3doy s LEU 36 Ca -0.03 0.24 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 3doy s LEU 36 Cb -0.04 0.22 0.07 0.00 0.50 0.00 0.00 46.19 46.94 3doy s LEU 36 CO 0.03 -0.17 -0.07 -1.10 -1.32 0.00 0.00 176.35 173.71 3doy s GLN 37 N 1.48 2.13 0.00 1.98 -0.21 0.29 -4.72 119.66 120.62 3doy s GLN 37 Ca -0.05 -1.43 -0.38 0.00 0.02 0.00 0.00 55.36 53.51 3doy s GLN 37 Cb -0.12 -2.97 -0.17 0.00 1.00 0.00 0.00 33.01 30.75 3doy s GLN 37 CO -0.05 -0.64 1.37 0.00 -2.12 0.00 0.00 175.29 173.85 3doy n ALA 38 N 4.42 -1.24 -0.99 6.09 0.00 -1.26 -0.98 120.51 126.54 3doy n ALA 38 Ca -0.11 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3doy n ALA 38 Cb 0.42 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 2.86 -5.04 0.01 0.00 3.02 -1.26 -4.76 115.26 110.08 3doy n ASN 39 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 3doy n ASN 39 Cb 0.16 -2.61 0.00 0.00 -0.61 0.00 0.00 39.78 36.72 3doy n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3doy n GLN 40 N -0.19 0.00 -4.05 3.52 6.02 -0.16 -4.71 117.38 117.81 3doy n GLN 40 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 3doy n GLN 40 Cb 0.35 -0.02 -0.08 0.00 1.02 0.00 0.00 30.24 31.51 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 -1.09 1.24 -0.16 -1.09 -2.85 -0.70 0.14 119.74 115.24 3doy s LYS 41 Ca 0.00 -1.33 -0.18 0.00 -1.00 0.00 0.00 55.97 53.46 3doy s LYS 41 Cb 0.00 0.36 0.05 0.00 -2.06 0.00 0.00 37.83 36.18 3doy s LYS 41 CO 0.00 -0.45 0.48 -1.50 0.10 0.00 0.00 175.35 173.98 3doy s ILE 42 N -4.04 0.01 -0.10 3.79 2.07 -0.20 -0.55 121.20 122.19 3doy s ILE 42 Ca 0.24 -0.05 0.02 0.00 -1.41 0.00 0.00 60.65 59.46 3doy s ILE 42 Cb 0.04 -0.70 0.01 0.00 0.13 0.00 0.00 42.46 41.94 3doy s ILE 42 CO 0.05 -0.03 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.20 3doy s VAL 43 N -0.02 1.54 0.31 4.00 1.01 0.11 -1.76 120.40 125.60 3doy s VAL 43 Ca -0.02 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 3doy s VAL 43 Cb -0.03 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 3doy s VAL 43 CO 0.02 0.45 0.43 0.00 0.00 0.00 0.00 175.10 175.99 3doy s ALA 44 N 0.80 0.74 0.16 5.51 0.00 -0.50 -0.92 121.76 127.54 3doy s ALA 44 Ca -0.10 -1.48 -0.19 0.00 0.00 0.00 0.00 51.96 50.18 3doy s ALA 44 Cb -0.16 1.19 0.05 0.00 0.00 0.00 0.00 23.12 24.20 3doy s ALA 44 CO 0.01 -0.77 0.52 1.52 0.00 0.00 0.00 175.76 177.04 3doy s TYR 45 N -3.34 -0.31 -0.05 0.00 -0.85 -0.32 0.83 117.35 113.29 3doy s TYR 45 Ca 0.31 0.03 0.01 0.00 -0.52 0.00 0.00 57.07 56.89 3doy s TYR 45 Cb 0.01 0.43 0.02 0.00 0.38 0.00 0.00 41.96 42.79 3doy s TYR 45 CO 0.18 -0.83 -0.04 0.21 -1.52 0.00 0.00 175.55 173.55 3doy s LYS 46 N -3.80 0.86 0.35 -3.49 2.20 -0.12 -1.27 119.74 114.46 3doy s LYS 46 Ca 0.04 -0.08 -0.26 0.00 -0.36 0.00 0.00 55.97 55.30 3doy s LYS 46 Cb -0.00 -0.93 -0.09 0.00 -1.51 0.00 0.00 37.83 35.30 3doy s LYS 46 CO -0.09 -0.13 1.07 -0.80 -0.36 0.00 0.00 175.35 175.03 3doy s ASN 47 N 1.16 6.97 -0.23 1.43 0.01 -1.26 -1.77 114.94 121.25 3doy s ASN 47 Ca -0.07 2.13 -0.05 0.00 -0.71 0.00 0.00 52.86 54.16 3doy s ASN 47 Cb -0.14 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 38.91 3doy s ASN 47 CO -0.01 -0.34 -0.00 -0.63 -1.51 0.00 0.00 177.10 174.60 3doy s ILE 48 N -1.44 3.65 0.21 0.60 -1.09 -0.32 -4.92 121.20 117.88 3doy s ILE 48 Ca 0.52 -0.43 0.08 0.00 -2.23 0.00 0.00 60.65 58.60 3doy s ILE 48 Cb -0.26 -2.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.88 3doy s ILE 48 CO 0.33 0.37 -0.15 0.28 -1.23 0.00 0.00 174.94 174.54 3doy s THR 49 N 1.51 1.84 0.31 2.92 -1.32 -1.26 0.13 115.64 119.77 3doy s THR 49 Ca 0.06 -2.21 0.14 0.00 -1.21 0.00 0.00 61.69 58.47 3doy s THR 49 Cb -0.15 -2.05 0.07 0.00 -1.51 0.00 0.00 72.50 68.86 3doy s THR 49 CO -0.01 -0.55 1.76 0.15 -2.21 0.00 0.00 174.62 173.76 3doy h PHE 50 N 2.59 0.00 0.00 9.09 3.57 -1.96 -3.29 116.94 126.95 3doy h PHE 50 Ca -0.39 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.10 3doy h PHE 50 Cb 1.22 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 3doy h PHE 50 CO 0.73 0.44 0.01 -1.71 -2.23 0.00 0.00 178.31 175.55 3doy n ASN 51 N -3.88 2.51 -4.15 0.41 5.15 -1.26 -4.73 115.26 109.30 3doy n ASN 51 Ca -0.01 -1.71 -0.29 0.00 -0.60 0.00 0.00 54.58 51.97 3doy n ASN 51 Cb 0.48 -0.55 -0.17 0.00 -0.53 0.00 0.00 39.78 39.01 3doy n ASN 51 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3doy s GLU 52 N 1.21 2.34 0.47 1.20 2.02 -1.24 -5.03 118.70 119.67 3doy s GLU 52 Ca 0.05 -0.70 0.20 0.00 0.02 0.00 0.00 54.97 54.54 3doy s GLU 52 Cb 0.02 -1.88 1.19 0.00 0.10 0.00 0.00 34.13 33.57 3doy s GLU 52 CO 0.00 0.18 1.95 0.22 0.02 0.00 0.00 175.26 177.63 3doy h ASP 53 N 6.60 0.23 -0.29 -0.19 3.58 -1.94 -1.23 116.42 123.17 3doy h ASP 53 Ca -0.27 0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.28 3doy h ASP 53 Cb 1.20 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 3doy h ASP 53 CO 0.47 0.12 0.25 1.62 -2.88 0.00 0.00 179.24 178.82 3doy h VAL 54 N 0.24 0.63 0.00 2.25 3.04 -1.95 -1.20 116.25 119.26 3doy h VAL 54 Ca 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.01 3doy h VAL 54 Cb 0.90 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 3doy h VAL 54 CO -0.07 0.00 0.00 -0.26 -1.01 0.00 0.00 177.57 176.23 3doy h PHE 55 N 0.00 0.00 0.00 3.17 0.05 -1.52 -2.68 116.94 115.96 3doy h PHE 55 Ca 0.14 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.92 3doy h PHE 55 Cb 0.64 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.59 3doy h PHE 55 CO 0.00 0.00 -0.04 -0.91 -0.18 0.00 0.00 178.31 177.18 3doy h ASN 56 N 0.00 0.00 0.00 2.17 2.35 -1.38 -3.12 115.58 115.60 3doy h ASN 56 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3doy h ASN 56 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 3doy h ASN 56 CO 0.00 0.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.43 3doy n GLY 57 N -1.23 0.74 2.30 2.83 0.00 -1.06 -4.32 105.19 104.46 3doy n GLY 57 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.84 -4.33 1.61 -0.00 -1.04 -4.55 115.22 105.82 3doy n HIS 58 Ca 0.00 -3.30 -0.17 0.00 -0.00 0.00 0.00 57.72 54.25 3doy n HIS 58 Cb 0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.02 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 -0.66 1.58 0.04 1.57 0.40 0.49 -0.63 117.98 120.77 3doy s PHE 59 Ca 0.34 -0.78 -0.35 0.00 -0.60 0.00 0.00 56.93 55.54 3doy s PHE 59 Cb 0.13 -0.86 -0.14 0.00 0.51 0.00 0.00 43.02 42.66 3doy s PHE 59 CO -0.14 0.12 1.61 -2.30 0.70 0.00 0.00 175.22 175.20 3doy n PRO 60 N -0.39 1.80 -0.05 0.24 -0.02 -1.26 -0.18 135.00 135.13 3doy n PRO 60 Ca -0.07 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3doy n PRO 60 Cb 0.62 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 4.14 0.00 -3.41 2.55 3.02 -1.26 -4.88 115.26 115.42 3doy n ASN 61 Ca 0.20 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.48 3doy n ASN 61 Cb 0.25 -0.36 -0.10 0.00 -0.61 0.00 0.00 39.78 38.96 3doy n ASN 61 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3doy s LYS 62 N -0.01 0.95 -0.23 3.52 2.20 0.75 -5.10 119.74 121.81 3doy s LYS 62 Ca 0.00 -2.14 -0.29 0.00 -0.36 0.00 0.00 55.97 53.18 3doy s LYS 62 Cb 0.00 -1.48 -0.06 0.00 -1.51 0.00 0.00 37.83 34.78 3doy s LYS 62 CO 0.00 -1.38 2.22 -2.30 -0.36 0.00 0.00 175.35 173.53 3doy n PRO 63 N 2.83 1.85 -3.83 4.03 -0.02 -1.23 -0.38 135.00 138.25 3doy n PRO 63 Ca 0.29 0.50 -0.27 0.00 -2.02 0.00 0.00 63.50 62.01 3doy n PRO 63 Cb 0.47 -3.15 -0.17 0.00 -0.02 0.00 0.00 33.50 30.64 3doy n PRO 63 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3doy s ILE 64 N 8.23 0.81 0.07 4.25 -1.09 0.20 -4.55 121.20 129.12 3doy s ILE 64 Ca 1.02 -0.40 -0.31 0.00 -2.23 0.00 0.00 60.65 58.73 3doy s ILE 64 Cb -0.40 -1.03 -0.09 0.00 -1.58 0.00 0.00 42.46 39.36 3doy s ILE 64 CO 0.37 0.12 1.74 0.12 -1.23 0.00 0.00 174.94 176.06 3doy s PHE 65 N 1.77 2.17 0.13 3.97 5.36 0.54 -4.65 117.98 127.26 3doy s PHE 65 Ca 0.02 0.11 -0.34 0.00 -0.96 0.00 0.00 56.93 55.77 3doy s PHE 65 Cb -0.15 -4.06 -0.13 0.00 -0.34 0.00 0.00 43.02 38.34 3doy s PHE 65 CO -0.07 -4.37 1.65 -2.30 -1.46 0.00 0.00 175.22 168.66 3doy n PRO 66 N 5.97 2.24 -0.32 10.12 -0.02 -1.26 -4.57 135.00 147.16 3doy n PRO 66 Ca 0.17 0.81 0.07 0.00 -2.02 0.00 0.00 63.50 62.53 3doy n PRO 66 Cb 0.40 -2.60 0.22 0.00 -0.02 0.00 0.00 33.50 31.50 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 6.62 1.47 2.00 -1.23 0.00 -1.98 0.21 103.07 110.16 3doy h GLY 67 Ca -0.45 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.52 3doy h GLY 67 CO 0.91 0.06 -0.11 -0.39 0.00 0.00 0.00 176.54 177.01 3doy h VAL 68 N 0.79 0.94 0.00 4.60 -1.51 -2.00 -1.27 116.25 117.79 3doy h VAL 68 Ca 0.47 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.54 3doy h VAL 68 Cb 0.55 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 3doy h VAL 68 CO -0.31 0.11 0.00 -0.07 -1.23 0.00 0.00 177.57 176.07 3doy h LEU 69 N 0.00 0.00 -0.19 4.19 3.38 -1.33 -1.74 115.31 119.62 3doy h LEU 69 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 3doy h LEU 69 Cb 0.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.97 3doy h LEU 69 CO 0.01 0.00 -0.72 0.40 0.09 0.00 0.00 178.44 178.22 3doy h ILE 70 N 0.00 1.27 -0.50 1.22 2.04 -0.88 -1.45 117.51 119.21 3doy h ILE 70 Ca 0.00 -1.91 -0.10 0.00 1.00 0.00 0.00 64.86 63.86 3doy h ILE 70 Cb 0.92 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 3doy h ILE 70 CO 0.00 0.61 -0.06 0.58 0.00 0.00 0.00 178.15 179.28 3doy h VAL 71 N 0.58 1.27 -0.86 1.67 2.07 -1.31 -1.54 116.25 118.13 3doy h VAL 71 Ca -0.04 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 66.32 3doy h VAL 71 Cb 1.35 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 32.09 3doy h VAL 71 CO 0.15 0.41 0.56 -0.08 0.02 0.00 0.00 177.57 178.64 3doy h GLU 72 N 0.78 1.09 -0.58 1.57 4.57 -1.25 0.22 114.58 120.99 3doy h GLU 72 Ca 0.13 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 3doy h GLU 72 Cb 0.61 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 3doy h GLU 72 CO 0.04 0.72 0.16 0.78 -1.18 0.00 0.00 179.01 179.53 3doy h GLY 73 N 1.12 0.94 1.33 1.92 0.00 -0.89 -0.21 103.07 107.29 3doy h GLY 73 Ca 0.33 -0.53 -0.16 0.00 0.00 0.00 0.00 47.33 46.96 3doy h GLY 73 CO -0.09 0.50 -0.47 -0.33 0.00 0.00 0.00 176.54 176.15 3doy h MET 74 N 0.85 0.72 -0.32 4.80 2.86 -0.54 -2.34 114.93 120.96 3doy h MET 74 Ca 0.19 -0.41 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 3doy h MET 74 Cb 0.28 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 3doy h MET 74 CO -0.01 1.03 0.12 0.00 1.06 0.00 0.00 176.91 179.12 3doy h ALA 75 N 0.90 0.42 -0.47 6.32 0.00 -0.45 -1.26 119.26 124.71 3doy h ALA 75 Ca 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3doy h ALA 75 Cb 1.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3doy h ALA 75 CO 0.10 0.03 0.27 1.96 0.00 0.00 0.00 179.25 181.61 3doy h GLN 76 N 0.37 0.64 -0.40 0.00 4.20 -0.99 0.31 115.11 119.24 3doy h GLN 76 Ca 0.11 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 3doy h GLN 76 Cb 0.21 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3doy h GLN 76 CO -0.01 0.46 0.02 0.77 -0.67 0.00 0.00 178.83 179.41 3doy h SER 77 N 0.65 0.67 -0.76 1.46 0.02 -0.93 -0.75 113.55 113.91 3doy h SER 77 Ca 0.17 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 60.78 3doy h SER 77 Cb 0.00 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 3doy h SER 77 CO -0.03 0.79 0.27 1.23 -1.14 0.00 0.00 176.83 177.95 3doy h GLY 78 N 0.52 1.24 0.75 -3.77 0.00 -0.27 -2.10 103.07 99.45 3doy h GLY 78 Ca 0.12 -0.70 0.04 0.00 0.00 0.00 0.00 47.33 46.78 3doy h GLY 78 CO 0.02 0.66 0.31 -1.33 0.00 0.00 0.00 176.54 176.19 3doy h GLY 79 N 1.11 0.80 1.00 4.60 0.00 0.05 0.59 103.07 111.22 3doy h GLY 79 Ca 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 3doy h GLY 79 CO -0.01 0.15 0.37 -2.75 0.00 0.00 0.00 176.54 174.29 3doy h PHE 80 N 0.59 0.91 -0.45 5.60 3.04 -0.84 0.24 116.94 126.02 3doy h PHE 80 Ca 0.24 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.13 3doy h PHE 80 Cb 0.12 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.32 3doy h PHE 80 CO -0.09 0.65 0.13 1.25 -2.02 0.00 0.00 178.31 178.24 3doy h LEU 81 N 0.91 0.67 -0.15 0.59 5.85 -0.65 -2.46 115.31 120.07 3doy h LEU 81 Ca 0.23 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3doy h LEU 81 Cb 0.04 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3doy h LEU 81 CO -0.04 0.71 0.09 0.00 -0.34 0.00 0.00 178.44 178.85 3doy h ALA 82 N 0.99 0.20 -0.27 1.25 0.00 0.70 -1.91 119.26 120.20 3doy h ALA 82 Ca 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3doy h ALA 82 Cb 0.28 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3doy h ALA 82 CO -0.00 -0.28 0.12 0.35 0.00 0.00 0.00 179.25 179.44 3doy h PHE 83 N 0.15 0.41 0.00 0.00 3.57 -0.90 -2.45 116.94 117.73 3doy h PHE 83 Ca 0.05 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 3doy h PHE 83 Cb 0.06 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3doy h PHE 83 CO -0.04 0.41 -0.19 1.79 -2.23 0.00 0.00 178.31 178.05 3doy h THR 84 N 0.30 0.42 -0.00 4.41 1.35 -1.45 -1.32 112.91 116.62 3doy h THR 84 Ca 0.09 -1.10 -0.15 0.00 -0.55 0.00 0.00 66.41 64.70 3doy h THR 84 Cb 0.16 1.81 -0.02 0.00 -1.73 0.00 0.00 68.15 68.37 3doy h THR 84 CO -0.01 0.18 -0.72 0.28 -0.25 0.00 0.00 175.52 175.00 3doy h SER 85 N 0.00 0.02 0.07 5.36 0.02 -1.17 0.13 113.55 117.98 3doy h SER 85 Ca -0.00 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3doy h SER 85 Cb 0.80 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 3doy h SER 85 CO 0.02 0.73 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.34 3doy h LEU 86 N 0.01 -0.08 -1.57 5.07 4.07 -0.99 -3.41 115.31 118.40 3doy h LEU 86 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 3doy h LEU 86 Cb 1.28 0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.04 3doy h LEU 86 CO 0.09 0.18 0.00 0.79 -1.08 0.00 0.00 178.44 178.43 3doy n TRP 87 N -3.61 0.02 -4.00 1.13 8.01 -0.54 -5.10 117.44 113.35 3doy n TRP 87 Ca -0.01 -0.02 0.00 0.00 -1.31 0.00 0.00 57.50 56.16 3doy n TRP 87 Cb 0.04 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.34 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 0.76 -1.28 3.46 6.99 0.00 0.46 -4.35 105.19 111.23 3doy n GLY 88 Ca 0.08 -1.27 -0.44 0.00 0.00 0.00 0.00 46.02 44.39 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 3.23 -0.36 1.61 5.36 -1.26 -4.02 117.98 122.53 3doy s PHE 89 Ca 0.00 -1.61 0.02 0.00 -0.96 0.00 0.00 56.93 54.38 3doy s PHE 89 Cb 0.00 -4.29 0.11 0.00 -0.34 0.00 0.00 43.02 38.50 3doy s PHE 89 CO 0.00 -1.46 0.12 0.34 -1.46 0.00 0.00 175.22 172.76 3doy s ASP 90 N 3.40 4.23 0.20 6.13 -1.08 -1.26 -5.01 116.67 123.29 3doy s ASP 90 Ca 0.36 -2.13 -0.11 0.00 -0.52 0.00 0.00 52.55 50.15 3doy s ASP 90 Cb -0.04 -1.22 0.15 0.00 -1.46 0.00 0.00 42.92 40.34 3doy s ASP 90 CO -0.07 -0.36 1.86 -0.65 0.52 0.00 0.00 175.17 176.47 3doy h PRO 91 N 7.52 0.86 -0.35 4.34 0.11 -1.92 -1.79 132.00 140.78 3doy h PRO 91 Ca -0.08 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 3doy h PRO 91 Cb 0.99 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 3doy h PRO 91 CO 0.51 0.57 0.20 0.93 -0.21 0.00 0.00 178.00 180.00 3doy h GLU 92 N 0.89 0.46 0.13 1.05 4.39 -1.95 0.18 114.58 119.73 3doy h GLU 92 Ca 0.26 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.74 3doy h GLU 92 Cb -0.05 -0.10 0.02 0.00 -0.10 0.00 0.00 28.75 28.52 3doy h GLU 92 CO -0.08 0.33 -0.80 0.82 -1.16 0.00 0.00 179.01 178.12 3doy h ILE 93 N 0.47 1.50 -0.92 3.13 2.04 -1.91 -3.32 117.51 118.50 3doy h ILE 93 Ca 0.13 -2.48 0.07 0.00 1.00 0.00 0.00 64.86 63.57 3doy h ILE 93 Cb -0.01 3.12 -0.07 0.00 -0.74 0.00 0.00 36.82 39.12 3doy h ILE 93 CO -0.02 0.71 0.58 0.00 0.00 0.00 0.00 178.15 179.41 3doy h ALA 94 N 0.12 1.28 -0.86 1.87 0.00 -0.87 -3.12 119.26 117.69 3doy h ALA 94 Ca -0.14 -0.01 0.35 0.00 0.00 0.00 0.00 54.91 55.12 3doy h ALA 94 Cb 1.61 -0.25 -0.14 0.00 0.00 0.00 0.00 17.79 19.01 3doy h ALA 94 CO 0.15 0.33 0.48 1.17 0.00 0.00 0.00 179.25 181.38 3doy n LYS 95 N -4.58 -0.05 -0.54 0.00 4.81 0.60 -1.13 118.16 117.27 3doy n LYS 95 Ca 0.14 1.13 0.04 0.00 -0.87 0.00 0.00 58.31 58.75 3doy n LYS 95 Cb 0.20 -2.04 0.23 0.00 0.02 0.00 0.00 35.03 33.44 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 -4.80 2.36 -4.11 3.15 -2.24 -1.18 -5.00 114.28 102.46 3doy n THR 96 Ca 0.32 -2.16 -0.30 0.00 -2.27 0.00 0.00 64.05 59.64 3doy n THR 96 Cb 1.09 -0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 68.97 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 -2.97 2.66 0.31 -0.78 -0.14 -0.28 0.23 119.74 118.77 3doy s LYS 97 Ca 0.42 -0.82 0.04 0.00 -1.36 0.00 0.00 55.97 54.25 3doy s LYS 97 Cb 0.36 -2.59 -0.06 0.00 -1.68 0.00 0.00 37.83 33.86 3doy s LYS 97 CO 0.06 0.54 0.05 0.96 -0.76 0.00 0.00 175.35 176.20 3doy s ILE 98 N -1.40 1.11 -0.08 2.17 -4.36 0.10 -4.57 121.20 114.17 3doy s ILE 98 Ca 0.27 -2.01 0.03 0.00 -0.26 0.00 0.00 60.65 58.68 3doy s ILE 98 Cb -0.12 -2.73 0.01 0.00 1.25 0.00 0.00 42.46 40.88 3doy s ILE 98 CO 0.20 -0.04 -0.16 -0.69 0.24 0.00 0.00 174.94 174.49 3doy s VAL 99 N -3.35 1.44 -0.07 8.37 1.01 -1.26 -1.29 120.40 125.24 3doy s VAL 99 Ca 0.36 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.69 3doy s VAL 99 Cb 0.08 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3doy s VAL 99 CO 0.15 0.42 -0.06 -0.31 0.00 0.00 0.00 175.10 175.29 3doy s TYR 100 N 0.62 2.95 0.11 5.22 1.51 0.39 -4.95 117.35 123.20 3doy s TYR 100 Ca -0.15 0.01 -0.28 0.00 -1.01 0.00 0.00 57.07 55.63 3doy s TYR 100 Cb -0.16 -1.73 -0.06 0.00 -0.11 0.00 0.00 41.96 39.90 3doy s TYR 100 CO 0.05 0.31 0.89 0.12 -1.11 0.00 0.00 175.55 175.81 3doy s PHE 101 N -0.74 3.81 -0.16 2.71 2.19 -1.26 0.39 117.98 124.92 3doy s PHE 101 Ca 0.11 1.71 -0.06 0.00 0.33 0.00 0.00 56.93 59.02 3doy s PHE 101 Cb -0.11 -2.97 -0.07 0.00 -1.31 0.00 0.00 43.02 38.56 3doy s PHE 101 CO 0.02 0.27 -0.19 -1.33 1.83 0.00 0.00 175.22 175.81 3doy n MET 102 N 2.60 0.35 -3.82 10.12 2.81 0.66 -4.87 117.12 124.96 3doy n MET 102 Ca 0.00 0.14 -0.09 0.00 -1.81 0.00 0.00 57.70 55.94 3doy n MET 102 Cb 0.49 -1.11 -0.06 0.00 -0.71 0.00 0.00 33.22 31.83 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 -2.30 0.09 -0.04 2.03 -4.23 -0.83 -4.99 115.64 105.37 3doy s THR 103 Ca -0.22 -1.05 -0.02 0.00 -1.18 0.00 0.00 61.69 59.22 3doy s THR 103 Cb 0.08 -1.47 0.03 0.00 1.34 0.00 0.00 72.50 72.48 3doy s THR 103 CO 0.29 -0.40 0.09 -0.63 -0.54 0.00 0.00 174.62 173.43 3doy s ILE 104 N -3.88 -0.04 0.15 2.99 1.01 -1.26 -1.76 121.20 118.41 3doy s ILE 104 Ca 0.08 0.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.84 3doy s ILE 104 Cb 0.03 -0.16 -0.02 0.00 0.01 0.00 0.00 42.46 42.32 3doy s ILE 104 CO -0.07 0.06 0.18 -1.81 0.00 0.00 0.00 174.94 173.30 3doy s ASP 105 N 0.89 0.16 -1.47 3.58 1.11 0.50 -4.96 116.67 116.48 3doy s ASP 105 Ca -0.07 -1.04 -0.02 0.00 0.18 0.00 0.00 52.55 51.61 3doy s ASP 105 Cb -0.10 0.37 0.02 0.00 1.07 0.00 0.00 42.92 44.28 3doy s ASP 105 CO -0.04 -0.82 0.04 0.29 1.18 0.00 0.00 175.17 175.83 3doy n LYS 106 N -0.16 -0.93 -3.70 8.23 5.02 -1.26 -2.05 118.16 123.31 3doy n LYS 106 Ca -0.06 0.09 -0.36 0.00 -2.02 0.00 0.00 58.31 55.95 3doy n LYS 106 Cb 0.63 -3.43 -0.06 0.00 -0.02 0.00 0.00 35.03 32.16 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 -4.21 5.27 -0.04 -0.18 -7.23 -1.26 -4.16 120.40 108.58 3doy s VAL 107 Ca 0.06 0.40 -0.02 0.00 -1.81 0.00 0.00 61.98 60.62 3doy s VAL 107 Cb -0.03 -3.56 0.03 0.00 0.56 0.00 0.00 36.38 33.38 3doy s VAL 107 CO 0.94 0.50 0.09 -0.75 -0.31 0.00 0.00 175.10 175.57 3doy s LYS 108 N -1.34 0.02 -0.26 4.82 2.20 -0.48 -4.97 119.74 119.72 3doy s LYS 108 Ca 0.23 0.30 -0.10 0.00 -0.36 0.00 0.00 55.97 56.04 3doy s LYS 108 Cb -0.14 -0.24 -0.05 0.00 -1.51 0.00 0.00 37.83 35.90 3doy s LYS 108 CO 0.12 -0.19 0.15 -0.06 -0.36 0.00 0.00 175.35 175.01 3doy s PHE 109 N 1.25 3.22 -0.22 4.03 0.40 -1.26 -1.19 117.98 124.20 3doy s PHE 109 Ca -0.08 0.03 0.04 0.00 -0.60 0.00 0.00 56.93 56.33 3doy s PHE 109 Cb -0.12 -2.31 -0.16 0.00 0.51 0.00 0.00 43.02 40.94 3doy s PHE 109 CO -0.04 -0.13 -0.16 0.54 0.70 0.00 0.00 175.22 176.13 3doy n ARG 110 N 4.75 0.66 -4.14 0.44 1.74 -0.09 -4.98 116.66 115.05 3doy n ARG 110 Ca -0.15 0.11 -0.18 0.00 -0.77 0.00 0.00 57.85 56.86 3doy n ARG 110 Cb 0.52 -1.47 -0.16 0.00 -1.02 0.00 0.00 32.46 30.34 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 -2.46 0.45 0.30 0.55 1.01 -1.07 -5.03 121.20 114.94 3doy s ILE 111 Ca -0.27 -0.13 -0.29 0.00 0.00 0.00 0.00 60.65 59.96 3doy s ILE 111 Cb 0.08 -0.46 -0.10 0.00 0.01 0.00 0.00 42.46 41.99 3doy s ILE 111 CO 0.57 0.18 1.40 -2.16 0.00 0.00 0.00 174.94 174.94 3doy s PRO 112 N 0.59 4.27 -0.17 2.79 0.04 -1.26 -4.80 135.00 136.46 3doy s PRO 112 Ca -0.07 2.31 -0.13 0.00 0.04 0.00 0.00 61.00 63.15 3doy s PRO 112 Cb -0.11 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 3doy s PRO 112 CO -0.00 -0.36 0.26 0.08 0.04 0.00 0.00 177.00 177.02 3doy s VAL 113 N -0.55 5.32 0.34 -0.36 1.01 -1.26 -5.02 120.40 119.88 3doy s VAL 113 Ca 0.55 0.48 0.04 0.00 0.00 0.00 0.00 61.98 63.05 3doy s VAL 113 Cb -0.42 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 3doy s VAL 113 CO 0.49 0.39 0.06 0.42 0.00 0.00 0.00 175.10 176.47 3doy s THR 114 N 0.48 1.17 0.26 3.92 -4.23 -1.26 -0.34 115.64 115.65 3doy s THR 114 Ca 0.15 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.35 3doy s THR 114 Cb -0.13 -2.76 -0.13 0.00 1.34 0.00 0.00 72.50 70.83 3doy s THR 114 CO 0.03 0.00 1.46 -2.65 -0.54 0.00 0.00 174.62 172.92 3doy n PRO 115 N -0.72 2.25 0.00 3.99 -0.02 -1.26 -1.98 135.00 137.27 3doy n PRO 115 Ca -0.03 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3doy n PRO 115 Cb 0.66 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 2.04 2.28 3.83 -1.23 0.00 0.12 -4.93 105.19 107.31 3doy n GLY 116 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.48 6.82 -0.51 1.61 -0.00 -0.84 -4.89 116.67 117.39 3doy s ASP 117 Ca 0.00 1.60 -0.05 0.00 -0.00 0.00 0.00 52.55 54.10 3doy s ASP 117 Cb 0.00 -2.51 0.13 0.00 -0.00 0.00 0.00 42.92 40.54 3doy s ASP 117 CO 0.00 -0.42 0.33 -0.60 -0.00 0.00 0.00 175.17 174.49 3doy s ARG 118 N -3.45 2.36 -0.45 8.23 3.52 -1.26 -1.18 118.95 126.71 3doy s ARG 118 Ca 0.60 -2.04 -0.29 0.00 -0.13 0.00 0.00 55.73 53.88 3doy s ARG 118 Cb -0.09 -3.75 0.01 0.00 -1.56 0.00 0.00 34.95 29.56 3doy s ARG 118 CO 0.19 -1.14 1.38 -1.17 -0.81 0.00 0.00 175.30 173.75 3doy s LEU 119 N 0.81 3.55 -0.28 -0.88 2.96 -0.73 -4.46 118.68 119.65 3doy s LEU 119 Ca 0.10 0.67 -0.11 0.00 -0.22 0.00 0.00 54.13 54.58 3doy s LEU 119 Cb -0.22 -3.45 -0.05 0.00 0.50 0.00 0.00 46.19 42.97 3doy s LEU 119 CO -0.03 -1.47 0.19 -0.70 -1.32 0.00 0.00 176.35 173.01 3doy s GLU 120 N 5.01 3.96 -0.09 1.98 2.12 0.97 -0.94 118.70 131.71 3doy s GLU 120 Ca 0.58 -0.31 -0.16 0.00 0.36 0.00 0.00 54.97 55.43 3doy s GLU 120 Cb -0.12 -3.65 -0.05 0.00 0.26 0.00 0.00 34.13 30.57 3doy s GLU 120 CO 0.31 -0.16 0.42 0.71 -0.54 0.00 0.00 175.26 176.00 3doy s TYR 121 N 1.71 3.57 -0.27 5.30 1.51 0.24 0.74 117.35 130.15 3doy s TYR 121 Ca 0.07 0.87 0.01 0.00 -1.01 0.00 0.00 57.07 57.01 3doy s TYR 121 Cb -0.16 -2.43 0.08 0.00 -0.11 0.00 0.00 41.96 39.34 3doy s TYR 121 CO 0.11 0.33 0.00 -1.01 -1.11 0.00 0.00 175.55 173.87 3doy s HIS 122 N 0.06 2.57 -0.04 2.71 3.76 0.46 -1.42 115.29 123.39 3doy s HIS 122 Ca 0.24 -2.04 0.06 0.00 -0.15 0.00 0.00 55.06 53.16 3doy s HIS 122 Cb -0.15 -1.91 -0.02 0.00 1.11 0.00 0.00 32.58 31.60 3doy s HIS 122 CO 0.10 -0.84 -0.21 -0.51 -0.85 0.00 0.00 174.74 172.44 3doy s LEU 123 N 1.33 2.34 -0.02 0.89 2.01 -0.72 -1.34 118.68 123.17 3doy s LEU 123 Ca 0.01 -0.36 0.05 0.00 0.01 0.00 0.00 54.13 53.83 3doy s LEU 123 Cb -0.19 -1.44 -0.01 0.00 0.01 0.00 0.00 46.19 44.57 3doy s LEU 123 CO -0.10 0.32 -0.16 -1.61 1.01 0.00 0.00 176.35 175.80 3doy s GLU 124 N -0.57 1.43 -0.24 1.70 2.02 -0.32 -1.03 118.70 121.68 3doy s GLU 124 Ca 0.08 -0.57 -0.29 0.00 0.02 0.00 0.00 54.97 54.21 3doy s GLU 124 Cb -0.11 -1.33 -0.01 0.00 0.10 0.00 0.00 34.13 32.78 3doy s GLU 124 CO 0.00 0.31 1.38 0.08 0.02 0.00 0.00 175.26 177.06 3doy s VAL 125 N -0.23 4.04 -0.13 2.63 1.01 0.36 -1.59 120.40 126.49 3doy s VAL 125 Ca 0.03 1.20 0.17 0.00 0.00 0.00 0.00 61.98 63.38 3doy s VAL 125 Cb -0.08 -3.98 -0.13 0.00 0.00 0.00 0.00 36.38 32.19 3doy s VAL 125 CO 0.00 -0.34 0.82 0.18 0.00 0.00 0.00 175.10 175.76 3doy n LEU 126 N 7.58 0.83 0.00 3.92 4.77 0.98 -4.91 117.00 130.18 3doy n LEU 126 Ca 0.16 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 3doy n LEU 126 Cb 0.46 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3doy n LEU 126 CO 0.62 0.13 0.00 1.17 -1.33 0.00 0.00 177.39 177.98 3doy n LYS 127 N -2.87 0.00 -3.83 3.23 4.81 -1.00 -5.02 118.16 113.48 3doy n LYS 127 Ca -0.10 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.23 3doy n LYS 127 Cb 0.83 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.78 3doy n LYS 127 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 3doy s HIS 128 N -0.69 -0.07 -0.26 5.64 -3.43 -1.26 0.41 115.29 115.64 3doy s HIS 128 Ca 0.00 0.12 -0.02 0.00 -0.80 0.00 0.00 55.06 54.36 3doy s HIS 128 Cb 0.00 0.01 0.14 0.00 -1.43 0.00 0.00 32.58 31.31 3doy s HIS 128 CO 0.00 -0.26 0.41 0.21 -2.00 0.00 0.00 174.74 173.10 3doy s LYS 129 N -1.00 0.39 7.68 -0.38 2.20 -0.28 -5.01 119.74 123.34 3doy s LYS 129 Ca -0.11 0.56 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 3doy s LYS 129 Cb -0.06 -0.31 0.00 0.00 -1.51 0.00 0.00 37.83 35.95 3doy s LYS 129 CO 0.02 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.73 3doy n GLY 130 N 5.37 3.17 0.02 5.54 0.00 -1.26 -1.71 105.19 116.33 3doy n GLY 130 Ca -0.03 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 13.50 0.15 -3.18 1.61 2.81 -1.26 -4.77 117.12 125.97 3doy n MET 131 Ca 0.00 -0.04 -0.43 0.00 -1.81 0.00 0.00 57.70 55.42 3doy n MET 131 Cb 0.00 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 30.94 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 -2.88 4.91 -0.10 2.02 1.01 -0.69 -1.66 121.20 123.81 3doy s ILE 132 Ca 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.52 3doy s ILE 132 Cb 0.19 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 3doy s ILE 132 CO 0.56 -0.67 -0.08 0.26 0.00 0.00 0.00 174.94 175.01 3doy s TRP 133 N 2.57 2.90 -0.31 3.97 0.52 -0.67 -1.12 118.94 126.80 3doy s TRP 133 Ca 0.16 -0.20 0.00 0.00 0.02 0.00 0.00 56.10 56.09 3doy s TRP 133 Cb -0.17 -1.78 0.07 0.00 -1.15 0.00 0.00 33.47 30.43 3doy s TRP 133 CO 0.14 0.13 -0.00 -0.65 0.02 0.00 0.00 176.95 176.59 3doy s GLN 134 N -0.31 2.18 0.31 4.98 -1.52 0.17 -1.09 119.66 124.37 3doy s GLN 134 Ca 0.04 -1.45 0.09 0.00 -1.95 0.00 0.00 55.36 52.10 3doy s GLN 134 Cb -0.13 -3.15 -0.05 0.00 -0.22 0.00 0.00 33.01 29.47 3doy s GLN 134 CO 0.02 -0.71 0.00 0.14 -0.25 0.00 0.00 175.29 174.50 3doy s VAL 135 N 1.14 2.96 -0.06 1.09 -7.23 0.65 -0.01 120.40 118.95 3doy s VAL 135 Ca -0.02 -1.96 -0.21 0.00 -1.81 0.00 0.00 61.98 57.98 3doy s VAL 135 Cb -0.20 -2.78 0.04 0.00 0.56 0.00 0.00 36.38 34.00 3doy s VAL 135 CO -0.04 -0.28 0.48 -0.83 -0.31 0.00 0.00 175.10 174.12 3doy s GLY 136 N -3.70 -0.34 0.00 2.32 0.00 -0.62 -0.51 107.32 104.46 3doy s GLY 136 Ca 0.33 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.93 3doy s GLY 136 CO 0.20 0.62 0.00 0.61 0.00 0.00 0.00 173.10 174.52 3doy n GLY 137 N 1.42 -0.66 3.27 0.20 0.00 -0.18 -1.17 105.19 108.08 3doy n GLY 137 Ca -0.19 -0.53 -0.15 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.68 0.42 -0.11 2.61 -4.23 -0.45 -1.49 115.64 108.72 3doy s THR 138 Ca 0.00 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.55 3doy s THR 138 Cb 0.00 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.33 3doy s THR 138 CO 0.00 -0.08 -0.21 0.00 -0.54 0.00 0.00 174.62 173.79 3doy s ALA 139 N -3.85 2.01 0.09 3.99 0.00 -0.17 -0.40 121.76 123.43 3doy s ALA 139 Ca 0.36 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.51 3doy s ALA 139 Cb 0.07 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 3doy s ALA 139 CO 0.12 0.15 -0.21 -0.65 0.00 0.00 0.00 175.76 175.16 3doy s GLN 140 N 0.57 1.20 -0.16 0.00 -0.21 0.23 -1.01 119.66 120.29 3doy s GLN 140 Ca -0.14 -1.12 -0.01 0.00 0.02 0.00 0.00 55.36 54.11 3doy s GLN 140 Cb -0.17 -1.45 0.04 0.00 1.00 0.00 0.00 33.01 32.44 3doy s GLN 140 CO 0.05 0.35 -0.04 0.08 -2.12 0.00 0.00 175.29 173.60 3doy s VAL 141 N -1.07 0.97 -1.24 1.09 1.01 -0.45 -0.02 120.40 120.69 3doy s VAL 141 Ca 0.07 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 3doy s VAL 141 Cb -0.10 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 3doy s VAL 141 CO 0.04 0.10 0.79 -0.67 0.00 0.00 0.00 175.10 175.36 3doy n ASP 142 N 4.92 -2.28 0.00 3.32 4.64 -1.26 -2.13 116.55 123.76 3doy n ASP 142 Ca -0.11 -0.79 0.00 0.00 -1.38 0.00 0.00 54.79 52.51 3doy n ASP 142 Cb 0.48 -4.32 0.00 0.00 -1.04 0.00 0.00 41.12 36.24 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 -1.46 0.42 3.63 0.27 0.00 -1.26 -4.99 105.19 101.79 3doy n GLY 143 Ca -0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.64 2.81 -0.22 1.61 1.02 -0.91 -5.07 119.74 118.35 3doy s LYS 144 Ca 0.00 -0.53 -0.29 0.00 0.02 0.00 0.00 55.97 55.17 3doy s LYS 144 Cb 0.00 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.64 3doy s LYS 144 CO 0.00 0.66 1.35 0.08 -0.92 0.00 0.00 175.35 176.52 3doy s VAL 145 N -0.90 4.10 -0.68 3.17 1.01 -1.26 -1.35 120.40 124.49 3doy s VAL 145 Ca 0.14 1.29 0.17 0.00 0.00 0.00 0.00 61.98 63.58 3doy s VAL 145 Cb -0.11 -3.99 -0.20 0.00 0.00 0.00 0.00 36.38 32.08 3doy s VAL 145 CO 0.04 -0.29 0.67 1.33 0.00 0.00 0.00 175.10 176.85 3doy n VAL 146 N 5.87 0.00 -3.56 2.92 0.24 -0.18 -4.54 118.33 119.07 3doy n VAL 146 Ca 0.15 -0.15 -0.13 0.00 -2.04 0.00 0.00 64.34 62.18 3doy n VAL 146 Cb 0.45 0.85 -0.06 0.00 -1.47 0.00 0.00 33.84 33.62 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 -2.71 -1.88 0.04 2.33 0.00 -1.06 -0.91 121.76 117.56 3doy s ALA 147 Ca 0.04 1.52 0.06 0.00 0.00 0.00 0.00 51.96 53.58 3doy s ALA 147 Cb 0.13 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 3doy s ALA 147 CO 0.71 -0.33 -0.16 -1.21 0.00 0.00 0.00 175.76 174.77 3doy s GLU 148 N -1.05 1.09 0.01 0.00 2.02 -0.34 -1.00 118.70 119.44 3doy s GLU 148 Ca -0.04 -0.79 -0.28 0.00 0.02 0.00 0.00 54.97 53.87 3doy s GLU 148 Cb -0.01 -1.13 0.08 0.00 0.10 0.00 0.00 34.13 33.17 3doy s GLU 148 CO 0.04 0.29 0.71 0.00 0.02 0.00 0.00 175.26 176.31 3doy s ALA 149 N -0.78 -1.74 -0.04 5.21 0.00 -0.55 -1.38 121.76 122.47 3doy s ALA 149 Ca 0.04 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.07 3doy s ALA 149 Cb -0.08 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.30 3doy s ALA 149 CO 0.01 -0.52 -0.06 -2.00 0.00 0.00 0.00 175.76 173.19 3doy s GLU 150 N -2.17 0.86 0.10 0.00 2.12 -0.87 -1.01 118.70 117.73 3doy s GLU 150 Ca -0.05 -0.17 -0.14 0.00 0.36 0.00 0.00 54.97 54.97 3doy s GLU 150 Cb -0.00 -0.83 0.02 0.00 0.26 0.00 0.00 34.13 33.58 3doy s GLU 150 CO 0.00 -0.01 0.34 -0.48 -0.54 0.00 0.00 175.26 174.57 3doy s LEU 151 N 0.63 0.71 -0.10 2.70 0.05 0.33 -0.37 118.68 122.62 3doy s LEU 151 Ca -0.09 -0.35 -0.00 0.00 0.05 0.00 0.00 54.13 53.74 3doy s LEU 151 Cb -0.12 1.57 0.02 0.00 -2.05 0.00 0.00 46.19 45.61 3doy s LEU 151 CO 0.01 -0.77 -0.08 -0.75 -0.55 0.00 0.00 176.35 174.21 3doy s LYS 152 N -3.52 1.47 0.24 1.48 2.20 -0.72 -0.25 119.74 120.64 3doy s LYS 152 Ca 0.02 -0.25 0.10 0.00 -0.36 0.00 0.00 55.97 55.48 3doy s LYS 152 Cb 0.02 -1.51 -0.05 0.00 -1.51 0.00 0.00 37.83 34.78 3doy s LYS 152 CO -0.10 -0.23 -0.18 0.00 -0.36 0.00 0.00 175.35 174.48 3doy s ALA 153 N 1.59 2.41 -0.05 3.13 0.00 -0.25 -0.25 121.76 128.34 3doy s ALA 153 Ca 0.03 -1.78 0.05 0.00 0.00 0.00 0.00 51.96 50.26 3doy s ALA 153 Cb -0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 3doy s ALA 153 CO -0.07 0.19 -0.22 1.41 0.00 0.00 0.00 175.76 177.07 3doy s MET 154 N -3.55 2.21 -0.07 0.00 1.75 0.16 -1.67 119.30 118.13 3doy s MET 154 Ca 0.26 -0.77 -0.14 0.00 -1.25 0.00 0.00 55.69 53.78 3doy s MET 154 Cb -0.03 -1.89 -0.05 0.00 2.84 0.00 0.00 34.83 35.70 3doy s MET 154 CO 0.11 0.32 0.37 0.42 -0.65 0.00 0.00 175.02 175.59 3doy s ILE 155 N -0.08 5.16 -0.00 10.11 1.01 -0.66 -0.46 121.20 136.28 3doy s ILE 155 Ca -0.04 0.74 -0.10 0.00 0.00 0.00 0.00 60.65 61.25 3doy s ILE 155 Cb -0.13 -3.69 0.01 0.00 0.01 0.00 0.00 42.46 38.67 3doy s ILE 155 CO 0.03 0.49 0.20 0.00 0.00 0.00 0.00 174.94 175.66 3doy s ALA 156 N -0.41 -0.48 0.07 9.38 0.00 -0.41 -4.78 121.76 125.12 3doy s ALA 156 Ca 0.22 0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.89 3doy s ALA 156 Cb -0.15 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 3doy s ALA 156 CO 0.10 -0.23 1.11 -2.00 0.00 0.00 0.00 175.76 174.74 3doy s GLU 157 N -1.42 4.51 0.16 0.00 2.56 -1.26 0.01 118.70 123.26 3doy s GLU 157 Ca -0.14 1.66 -0.31 0.00 0.00 0.00 0.00 54.97 56.17 3doy s GLU 157 Cb -0.07 -3.36 -0.11 0.00 2.00 0.00 0.00 34.13 32.60 3doy s GLU 157 CO 0.02 -0.12 1.71 1.03 -0.56 0.00 0.00 175.26 177.34 3doy s ARG 158 N 0.73 4.16 0.00 4.30 0.52 0.14 -4.86 118.95 123.93 3doy s ARG 158 Ca 0.55 2.51 0.00 0.00 -0.52 0.00 0.00 55.73 58.27 3doy s ARG 158 Cb -0.27 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 31.90 3doy s ARG 158 CO 0.30 -0.74 0.00 -0.85 0.02 0.00 0.00 175.30 174.03