#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eae s HIS 3 N 0.00 2.44 0.73 6.00 3.76 -1.26 -5.13 115.29 121.83 3eae s HIS 3 Ca 0.00 -0.68 -0.13 0.00 -0.15 0.00 0.00 55.06 54.10 3eae s HIS 3 Cb 0.00 -1.68 0.04 0.00 1.11 0.00 0.00 32.58 32.05 3eae s HIS 3 CO 0.00 0.42 1.12 0.00 -0.85 0.00 0.00 174.74 175.43 3eae s ALA 4 N -2.76 2.26 0.43 -1.40 0.00 -1.26 -4.98 121.76 114.05 3eae s ALA 4 Ca 0.35 0.51 -0.25 0.00 0.00 0.00 0.00 51.96 52.56 3eae s ALA 4 Cb 0.09 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.79 3eae s ALA 4 CO 0.17 -1.65 1.30 -0.06 0.00 0.00 0.00 175.76 175.52 3eae s PHE 5 N -2.50 2.75 0.08 0.00 0.08 -1.26 -5.03 117.98 112.10 3eae s PHE 5 Ca 0.66 1.41 0.03 0.00 0.12 0.00 0.00 56.93 59.14 3eae s PHE 5 Cb -0.21 -3.67 -0.03 0.00 -0.57 0.00 0.00 43.02 38.54 3eae s PHE 5 CO 0.48 -2.16 -0.08 -1.59 -0.10 0.00 0.00 175.22 171.77 3eae s LYS 6 N -2.35 0.75 0.14 0.44 -2.85 -1.26 -5.09 119.74 109.52 3eae s LYS 6 Ca 0.59 -1.10 -0.34 0.00 -1.00 0.00 0.00 55.97 54.11 3eae s LYS 6 Cb -0.38 -0.35 -0.16 0.00 -2.06 0.00 0.00 37.83 34.88 3eae s LYS 6 CO 0.48 0.04 1.30 -2.30 0.10 0.00 0.00 175.35 174.97 3eae n PRO 7 N 0.62 1.34 0.00 1.78 -0.02 -1.26 -1.98 135.00 135.47 3eae n PRO 7 Ca -0.17 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3eae n PRO 7 Cb 0.58 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3eae n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3eae n GLY 8 N 2.37 0.07 3.74 -1.23 0.00 0.09 -5.01 105.19 105.21 3eae n GLY 8 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3eae n GLY 8 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3eae s ASP 9 N -2.09 6.83 -0.15 1.61 1.01 -0.84 -4.84 116.67 118.21 3eae s ASP 9 Ca 0.00 2.47 -0.12 0.00 0.71 0.00 0.00 52.55 55.61 3eae s ASP 9 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 3eae s ASP 9 CO 0.00 -0.57 0.25 -0.76 0.21 0.00 0.00 175.17 174.30 3eae s LEU 10 N -0.19 4.28 0.15 1.23 1.43 -1.26 -1.47 118.68 122.85 3eae s LEU 10 Ca 0.57 0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 54.13 3eae s LEU 10 Cb -0.38 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.52 3eae s LEU 10 CO 0.40 0.18 0.15 0.68 0.23 0.00 0.00 176.35 177.98 3eae s VAL 11 N 0.09 0.08 -0.15 -1.59 -7.23 -0.37 -1.37 120.40 109.86 3eae s VAL 11 Ca 0.15 -1.73 -0.07 0.00 -1.81 0.00 0.00 61.98 58.52 3eae s VAL 11 Cb -0.13 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 3eae s VAL 11 CO 0.04 -0.38 0.11 -0.36 -0.31 0.00 0.00 175.10 174.20 3eae s PHE 12 N -4.03 3.44 -0.13 2.82 0.08 0.14 -0.94 117.98 119.36 3eae s PHE 12 Ca 0.22 0.36 0.01 0.00 0.12 0.00 0.00 56.93 57.64 3eae s PHE 12 Cb 0.06 -2.01 -0.01 0.00 -0.57 0.00 0.00 43.02 40.49 3eae s PHE 12 CO 0.02 0.48 -0.18 0.00 -0.10 0.00 0.00 175.22 175.44 3eae s ALA 13 N -0.37 2.43 -0.20 5.36 0.00 0.46 -0.74 121.76 128.70 3eae s ALA 13 Ca 0.11 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 51.02 3eae s ALA 13 Cb -0.12 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 3eae s ALA 13 CO 0.01 0.18 0.09 0.21 0.00 0.00 0.00 175.76 176.25 3eae s LYS 14 N 0.49 3.96 0.17 0.00 2.47 0.85 -1.84 119.74 125.85 3eae s LYS 14 Ca -0.12 -0.34 0.07 0.00 -1.56 0.00 0.00 55.97 54.02 3eae s LYS 14 Cb -0.16 -3.30 -0.04 0.00 -1.46 0.00 0.00 37.83 32.86 3eae s LYS 14 CO 0.05 0.18 -0.15 -1.64 0.16 0.00 0.00 175.35 173.95 3eae s MET 15 N 0.66 1.23 0.19 4.03 -1.94 -1.26 -4.83 119.30 117.37 3eae s MET 15 Ca 0.04 -1.46 -0.30 0.00 -1.71 0.00 0.00 55.69 52.26 3eae s MET 15 Cb -0.13 -1.08 -0.08 0.00 2.01 0.00 0.00 34.83 35.55 3eae s MET 15 CO 0.01 0.19 1.16 0.21 -0.01 0.00 0.00 175.02 176.59 3eae s LYS 16 N -3.25 4.53 0.00 2.03 2.20 -1.26 -2.93 119.74 121.06 3eae s LYS 16 Ca 0.18 1.83 0.00 0.00 -0.36 0.00 0.00 55.97 57.61 3eae s LYS 16 Cb -0.02 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 3eae s LYS 16 CO 0.05 -0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.43 3eae n GLY 17 N 2.07 1.12 3.28 5.54 0.00 -1.26 -5.05 105.19 110.89 3eae n GLY 17 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 3eae n GLY 17 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3eae s TYR 18 N -2.99 1.67 0.77 1.61 2.02 -1.15 -5.15 117.35 114.13 3eae s TYR 18 Ca 0.00 -0.46 -0.11 0.00 -0.37 0.00 0.00 57.07 56.13 3eae s TYR 18 Cb 0.00 -0.89 0.05 0.00 -0.40 0.00 0.00 41.96 40.73 3eae s TYR 18 CO 0.00 0.21 1.09 -1.25 -1.57 0.00 0.00 175.55 174.03 3eae s PRO 19 N -2.21 2.30 0.18 -1.71 0.04 -1.26 -4.50 135.00 127.84 3eae s PRO 19 Ca 0.08 0.66 -0.33 0.00 0.04 0.00 0.00 61.00 61.44 3eae s PRO 19 Cb -0.08 -1.94 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 3eae s PRO 19 CO 0.04 -1.47 1.59 0.72 0.04 0.00 0.00 177.00 177.92 3eae n HIS 20 N -3.33 2.38 -5.07 0.56 8.25 -1.26 -4.70 115.22 112.05 3eae n HIS 20 Ca 0.07 0.24 -0.30 0.00 -0.26 0.00 0.00 57.72 57.47 3eae n HIS 20 Cb 0.56 -2.56 -0.17 0.00 1.12 0.00 0.00 29.99 28.94 3eae n HIS 20 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 3eae s TRP 21 N 0.83 2.27 0.17 4.41 -0.11 -0.77 -4.83 118.94 120.92 3eae s TRP 21 Ca 0.77 -0.88 -0.32 0.00 1.22 0.00 0.00 56.10 56.89 3eae s TRP 21 Cb -0.64 -1.53 -0.12 0.00 -1.50 0.00 0.00 33.47 29.68 3eae s TRP 21 CO 0.38 -0.36 1.76 -0.35 -4.62 0.00 0.00 176.95 173.76 3eae n PRO 22 N 3.51 2.72 -3.98 5.86 -0.04 -1.26 -0.40 135.00 141.41 3eae n PRO 22 Ca -0.20 0.99 -0.09 0.00 -0.04 0.00 0.00 63.50 64.16 3eae n PRO 22 Cb 0.53 -2.84 -0.05 0.00 -0.04 0.00 0.00 33.50 31.10 3eae n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3eae s ALA 23 N 1.79 -0.35 0.08 0.55 0.00 -0.12 -1.84 121.76 121.88 3eae s ALA 23 Ca 0.78 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.95 3eae s ALA 23 Cb -0.51 1.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.61 3eae s ALA 23 CO 0.35 -0.88 -0.09 -0.98 0.00 0.00 0.00 175.76 174.16 3eae s ARG 24 N -3.94 0.75 -0.09 0.00 1.70 -0.24 -1.24 118.95 115.89 3eae s ARG 24 Ca 0.21 -1.07 -0.30 0.00 -0.47 0.00 0.00 55.73 54.11 3eae s ARG 24 Cb -0.01 -0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 33.90 3eae s ARG 24 CO 0.09 0.06 1.54 0.42 -1.08 0.00 0.00 175.30 176.33 3eae s ILE 25 N -2.29 3.79 0.65 4.99 -1.09 -0.54 -0.55 121.20 126.16 3eae s ILE 25 Ca 0.02 0.95 -0.04 0.00 -2.23 0.00 0.00 60.65 59.34 3eae s ILE 25 Cb -0.04 -3.62 0.05 0.00 -1.58 0.00 0.00 42.46 37.27 3eae s ILE 25 CO -0.01 -0.09 0.94 -1.81 -1.23 0.00 0.00 174.94 172.74 3eae s ASP 26 N 2.99 5.00 -0.13 3.58 1.01 -0.22 -0.73 116.67 128.16 3eae s ASP 26 Ca 0.68 0.36 -0.18 0.00 0.71 0.00 0.00 52.55 54.12 3eae s ASP 26 Cb -0.30 -1.10 -0.04 0.00 1.01 0.00 0.00 42.92 42.49 3eae s ASP 26 CO 0.25 -1.43 0.47 -0.62 0.21 0.00 0.00 175.17 174.05 3eae s ASP 27 N -4.47 6.66 0.09 0.27 -1.08 -1.26 -4.54 116.67 112.34 3eae s ASP 27 Ca 0.59 0.78 0.05 0.00 -0.52 0.00 0.00 52.55 53.45 3eae s ASP 27 Cb -0.11 -2.28 -0.23 0.00 -1.46 0.00 0.00 42.92 38.84 3eae s ASP 27 CO 0.43 -0.01 1.17 0.16 0.52 0.00 0.00 175.17 177.44 3eae h ILE 28 N 4.76 1.56 0.00 4.11 3.07 -1.93 -3.05 117.51 126.03 3eae h ILE 28 Ca -0.40 -3.25 0.00 0.00 1.55 0.00 0.00 64.86 62.75 3eae h ILE 28 Cb 1.18 2.82 0.00 0.00 -0.27 0.00 0.00 36.82 40.55 3eae h ILE 28 CO 0.75 0.91 0.00 0.00 -1.05 0.00 0.00 178.15 178.76 3eae n ALA 29 N -2.42 1.40 -0.05 0.16 0.00 -1.26 -1.71 120.51 116.62 3eae n ALA 29 Ca -0.04 -0.02 -0.21 0.00 0.00 0.00 0.00 53.44 53.17 3eae n ALA 29 Cb 0.97 -1.08 -0.13 0.00 0.00 0.00 0.00 19.45 19.21 3eae n ALA 29 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3eae n ASP 30 N -1.32 2.05 -3.36 0.00 8.00 -1.15 -4.97 116.55 115.80 3eae n ASP 30 Ca 0.02 0.13 -0.24 0.00 0.71 0.00 0.00 54.79 55.41 3eae n ASP 30 Cb 0.04 -0.73 0.19 0.00 -0.02 0.00 0.00 41.12 40.61 3eae n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3eae n GLY 31 N 1.99 -2.50 2.00 0.44 0.00 -0.69 -5.00 105.19 101.44 3eae n GLY 31 Ca -0.37 -1.52 -0.24 0.00 0.00 0.00 0.00 46.02 43.88 3eae n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3eae n ALA 32 N -4.35 5.15 -3.71 4.61 0.00 -1.26 -4.98 120.51 115.96 3eae n ALA 32 Ca -0.16 -3.72 -0.23 0.00 0.00 0.00 0.00 53.44 49.32 3eae n ALA 32 Cb 0.46 -0.52 -0.17 0.00 0.00 0.00 0.00 19.45 19.22 3eae n ALA 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3eae s VAL 33 N -4.57 0.69 -0.20 0.00 1.01 -1.26 -5.12 120.40 110.95 3eae s VAL 33 Ca 0.52 -0.14 -0.28 0.00 0.00 0.00 0.00 61.98 62.08 3eae s VAL 33 Cb 0.42 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 36.07 3eae s VAL 33 CO 0.03 0.29 0.99 -1.59 0.00 0.00 0.00 175.10 174.82 3eae s LYS 34 N 1.38 4.29 0.40 2.72 0.00 -1.26 -4.95 119.74 122.32 3eae s LYS 34 Ca -0.03 1.29 -0.23 0.00 0.00 0.00 0.00 55.97 57.00 3eae s LYS 34 Cb -0.13 -3.61 -0.10 0.00 0.00 0.00 0.00 37.83 33.98 3eae s LYS 34 CO -0.03 -0.52 0.99 -1.25 0.00 0.00 0.00 175.35 174.54 3eae s PRO 35 N 2.81 4.24 0.78 1.78 0.04 -1.26 -5.02 135.00 138.36 3eae s PRO 35 Ca 0.43 1.34 -0.15 0.00 0.04 0.00 0.00 61.00 62.66 3eae s PRO 35 Cb -0.16 -2.44 0.01 0.00 0.04 0.00 0.00 34.50 31.95 3eae s PRO 35 CO 0.09 -0.05 0.75 -2.30 0.04 0.00 0.00 177.00 175.53 3eae n PRO 36 N -0.20 0.23 -1.63 0.56 -0.02 -1.26 -4.88 135.00 127.79 3eae n PRO 36 Ca 0.05 0.13 -0.47 0.00 -2.02 0.00 0.00 63.50 61.20 3eae n PRO 36 Cb 0.51 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 3eae n PRO 36 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3eae n PRO 37 N -1.67 1.68 -4.05 0.52 -0.02 -1.26 -2.60 135.00 127.59 3eae n PRO 37 Ca 0.11 0.60 -0.34 0.00 -2.02 0.00 0.00 63.50 61.85 3eae n PRO 37 Cb 0.50 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 3eae n PRO 37 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3eae n ASN 38 N 2.15 -3.09 -4.38 2.55 5.15 -1.26 -4.99 115.26 111.40 3eae n ASN 38 Ca 0.13 -0.87 -0.27 0.00 -0.60 0.00 0.00 54.58 52.97 3eae n ASN 38 Cb 0.28 -2.56 -0.12 0.00 -0.53 0.00 0.00 39.78 36.86 3eae n ASN 38 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3eae s LYS 39 N -6.74 1.39 0.10 1.20 1.02 -1.07 -4.27 119.74 111.37 3eae s LYS 39 Ca 0.67 -1.39 0.10 0.00 0.02 0.00 0.00 55.97 55.37 3eae s LYS 39 Cb -0.37 -1.74 -0.04 0.00 -0.52 0.00 0.00 37.83 35.16 3eae s LYS 39 CO 0.83 0.39 -0.26 0.71 -0.92 0.00 0.00 175.35 176.10 3eae s TYR 40 N -1.41 2.33 -0.09 3.18 2.02 -0.05 -4.73 117.35 118.61 3eae s TYR 40 Ca 0.16 -0.38 -0.30 0.00 -0.37 0.00 0.00 57.07 56.18 3eae s TYR 40 Cb -0.09 -1.30 -0.03 0.00 -0.40 0.00 0.00 41.96 40.14 3eae s TYR 40 CO 0.07 0.27 1.26 -1.25 -1.57 0.00 0.00 175.55 174.34 3eae s PRO 41 N -1.80 4.30 -0.13 -1.71 0.04 -1.26 -1.97 135.00 132.47 3eae s PRO 41 Ca 0.14 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 62.88 3eae s PRO 41 Cb -0.10 -3.64 -0.03 0.00 0.04 0.00 0.00 34.50 30.77 3eae s PRO 41 CO 0.05 -0.57 -0.06 0.42 0.04 0.00 0.00 177.00 176.88 3eae s ILE 42 N 2.74 3.69 -0.26 0.56 -1.09 0.49 -1.06 121.20 126.27 3eae s ILE 42 Ca 0.57 -0.44 -0.09 0.00 -2.23 0.00 0.00 60.65 58.46 3eae s ILE 42 Cb -0.25 -2.59 -0.04 0.00 -1.58 0.00 0.00 42.46 38.01 3eae s ILE 42 CO 0.20 0.52 0.12 0.12 -1.23 0.00 0.00 174.94 174.67 3eae s PHE 43 N 0.15 3.14 -0.18 3.97 5.36 0.28 -2.27 117.98 128.44 3eae s PHE 43 Ca -0.03 -0.21 -0.20 0.00 -0.96 0.00 0.00 56.93 55.54 3eae s PHE 43 Cb -0.14 -2.29 -0.03 0.00 -0.34 0.00 0.00 43.02 40.22 3eae s PHE 43 CO 0.03 -0.28 0.57 -0.06 -1.46 0.00 0.00 175.22 174.02 3eae s PHE 44 N 1.66 3.40 0.71 10.12 0.08 0.77 -1.08 117.98 133.65 3eae s PHE 44 Ca 0.07 0.88 -0.15 0.00 0.12 0.00 0.00 56.93 57.85 3eae s PHE 44 Cb -0.15 -2.71 0.03 0.00 -0.57 0.00 0.00 43.02 39.61 3eae s PHE 44 CO 0.06 -0.08 1.15 -0.06 -0.10 0.00 0.00 175.22 176.19 3eae s PHE 45 N 1.56 2.33 0.00 0.36 0.08 -0.76 -0.76 117.98 120.79 3eae s PHE 45 Ca 0.27 1.59 0.00 0.00 0.12 0.00 0.00 56.93 58.90 3eae s PHE 45 Cb -0.16 -3.30 0.00 0.00 -0.57 0.00 0.00 43.02 39.00 3eae s PHE 45 CO 0.10 -2.13 0.00 0.41 -0.10 0.00 0.00 175.22 173.51 3eae n GLY 46 N -0.13 2.05 0.14 4.36 0.00 -1.26 -4.34 105.19 106.01 3eae n GLY 46 Ca 0.12 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.92 3eae n GLY 46 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3eae h THR 47 N 0.00 0.62 -3.48 2.61 1.35 -1.75 -3.45 112.91 108.81 3eae h THR 47 Ca 0.00 -1.92 -0.38 0.00 -0.55 0.00 0.00 66.41 63.56 3eae h THR 47 Cb 0.00 2.24 0.02 0.00 -1.73 0.00 0.00 68.15 68.68 3eae h THR 47 CO 0.00 0.35 -0.53 1.41 -0.25 0.00 0.00 175.52 176.50 3eae n HIS 48 N -3.12 -1.39 -3.36 4.73 -0.00 0.06 -5.00 115.22 107.14 3eae n HIS 48 Ca 0.00 0.26 -0.24 0.00 -0.00 0.00 0.00 57.72 57.74 3eae n HIS 48 Cb 0.71 -4.00 -0.01 0.00 -0.00 0.00 0.00 29.99 26.68 3eae n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3eae s GLU 49 N -5.30 3.49 0.03 -0.41 2.02 -1.20 -4.85 118.70 112.47 3eae s GLU 49 Ca 0.15 -0.31 0.05 0.00 0.02 0.00 0.00 54.97 54.88 3eae s GLU 49 Cb -0.07 -2.66 -0.02 0.00 0.10 0.00 0.00 34.13 31.49 3eae s GLU 49 CO 0.18 0.15 -0.14 0.95 0.02 0.00 0.00 175.26 176.42 3eae s THR 50 N -2.31 1.08 0.21 3.63 -4.23 -1.26 -0.16 115.64 112.60 3eae s THR 50 Ca 0.40 -0.89 -0.09 0.00 -1.18 0.00 0.00 61.69 59.93 3eae s THR 50 Cb -0.10 -0.96 -0.01 0.00 1.34 0.00 0.00 72.50 72.77 3eae s THR 50 CO 0.36 0.07 0.35 0.00 -0.54 0.00 0.00 174.62 174.86 3eae s ALA 51 N -0.72 0.11 -0.20 3.99 0.00 -0.96 -4.98 121.76 119.00 3eae s ALA 51 Ca 0.02 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 3eae s ALA 51 Cb -0.07 1.07 -0.03 0.00 0.00 0.00 0.00 23.12 24.09 3eae s ALA 51 CO 0.01 -0.74 0.03 -0.06 0.00 0.00 0.00 175.76 175.00 3eae s PHE 52 N -4.03 3.11 0.02 0.00 0.08 -1.26 -0.38 117.98 115.53 3eae s PHE 52 Ca 0.24 -0.25 0.03 0.00 0.12 0.00 0.00 56.93 57.07 3eae s PHE 52 Cb 0.02 -2.11 -0.02 0.00 -0.57 0.00 0.00 43.02 40.35 3eae s PHE 52 CO 0.07 -0.12 -0.09 -0.51 -0.10 0.00 0.00 175.22 174.47 3eae s LEU 53 N 0.88 2.15 0.61 -0.37 1.43 -0.83 -4.86 118.68 117.70 3eae s LEU 53 Ca 0.02 -0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 3eae s LEU 53 Cb -0.14 -0.35 0.01 0.00 0.03 0.00 0.00 46.19 45.74 3eae s LEU 53 CO 0.02 -0.04 0.95 -0.83 0.23 0.00 0.00 176.35 176.68 3eae s GLY 54 N -0.95 1.61 0.62 -3.19 0.00 -1.26 -0.87 107.32 103.28 3eae s GLY 54 Ca -0.02 -0.58 0.31 0.00 0.00 0.00 0.00 44.72 44.43 3eae s GLY 54 CO 0.00 -0.28 2.05 -2.55 0.00 0.00 0.00 173.10 172.32 3eae h PRO 55 N -0.27 0.00 0.00 2.90 0.11 -1.94 -1.80 132.00 131.00 3eae h PRO 55 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3eae h PRO 55 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3eae h PRO 55 CO 0.62 0.00 0.00 1.57 -0.21 0.00 0.00 178.00 179.98 3eae h LYS 56 N 0.00 0.00 -0.32 1.05 2.10 -1.95 -2.64 116.57 114.81 3eae h LYS 56 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 3eae h LYS 56 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 3eae h LYS 56 CO -0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 3eae n ASP 57 N -2.43 2.87 -4.22 7.07 8.00 -0.68 -4.95 116.55 122.21 3eae n ASP 57 Ca 0.01 -1.90 -0.34 0.00 0.71 0.00 0.00 54.79 53.27 3eae n ASP 57 Cb 0.21 -0.21 -0.15 0.00 -0.02 0.00 0.00 41.12 40.95 3eae n ASP 57 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3eae s LEU 58 N -1.02 2.82 -0.23 0.64 1.43 -1.00 -0.10 118.68 121.22 3eae s LEU 58 Ca 0.25 -0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3eae s LEU 58 Cb 0.13 -1.64 0.03 0.00 0.03 0.00 0.00 46.19 44.74 3eae s LEU 58 CO 0.18 -0.06 -0.11 -0.36 0.23 0.00 0.00 176.35 176.23 3eae s PHE 59 N 1.37 3.00 0.27 0.29 0.08 0.08 -4.97 117.98 118.11 3eae s PHE 59 Ca 0.03 -1.68 -0.30 0.00 0.12 0.00 0.00 56.93 55.10 3eae s PHE 59 Cb -0.15 -1.99 -0.13 0.00 -0.57 0.00 0.00 43.02 40.18 3eae s PHE 59 CO -0.06 -0.77 1.47 -2.30 -0.10 0.00 0.00 175.22 173.46 3eae n PRO 60 N 4.62 2.31 -0.13 0.24 -0.02 -1.26 0.23 135.00 140.99 3eae n PRO 60 Ca -0.18 0.82 -0.11 0.00 -2.02 0.00 0.00 63.50 62.02 3eae n PRO 60 Cb 0.47 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.41 3eae n PRO 60 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3eae h TYR 61 N 4.27 0.78 -0.57 6.00 3.20 -1.51 -2.23 116.97 126.91 3eae h TYR 61 Ca -0.46 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 61.24 3eae h TYR 61 Cb 1.26 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 3eae h TYR 61 CO 0.57 0.80 0.23 -0.44 -1.64 0.00 0.00 178.16 177.68 3eae h ASP 62 N 0.53 0.78 -0.09 -2.11 3.32 -1.91 -1.89 116.42 115.05 3eae h ASP 62 Ca 0.11 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 3eae h ASP 62 Cb 0.51 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3eae h ASP 62 CO 0.02 0.73 -0.15 0.50 -1.72 0.00 0.00 179.24 178.62 3eae h LYS 63 N 0.78 0.46 -0.11 3.56 3.64 -1.94 -3.36 116.57 119.60 3eae h LYS 63 Ca 0.19 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3eae h LYS 63 Cb 0.19 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3eae h LYS 63 CO -0.02 0.60 0.00 0.00 -2.27 0.00 0.00 179.45 177.77 3eae h LYS 65 N 1.78 0.00 -0.51 0.00 2.10 -1.50 0.37 116.57 118.80 3eae h LYS 65 Ca 0.00 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.75 3eae h LYS 65 Cb 0.49 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.74 3eae h LYS 65 CO 0.00 0.60 0.06 -0.44 -2.00 0.00 0.00 179.45 177.67 3eae h ASP 66 N 0.00 -0.10 0.06 7.07 3.32 -1.86 0.38 116.42 125.30 3eae h ASP 66 Ca -0.01 0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 3eae h ASP 66 Cb 1.10 0.17 0.01 0.00 0.22 0.00 0.00 39.33 40.83 3eae h ASP 66 CO 0.08 -0.02 -0.37 0.50 -1.72 0.00 0.00 179.24 177.71 3eae h LYS 67 N 0.18 0.14 0.00 3.56 3.64 -1.82 -3.41 116.57 118.87 3eae h LYS 67 Ca 0.26 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3eae h LYS 67 Cb 0.38 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3eae h LYS 67 CO -0.38 1.10 -1.43 0.66 -2.27 0.00 0.00 179.45 177.14 3eae n TYR 68 N -4.39 0.00 -2.18 1.91 4.01 0.09 -4.64 117.16 111.96 3eae n TYR 68 Ca -0.12 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.21 3eae n TYR 68 Cb 0.63 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 3eae n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3eae n GLY 69 N 1.40 4.96 3.08 2.72 0.00 0.13 -4.88 105.19 112.61 3eae n GLY 69 Ca 0.00 -2.08 -0.18 0.00 0.00 0.00 0.00 46.02 43.77 3eae n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3eae s LYS 70 N -0.27 0.76 0.40 1.61 1.02 -1.26 -4.87 119.74 117.12 3eae s LYS 70 Ca 0.46 -0.62 -0.25 0.00 0.02 0.00 0.00 55.97 55.59 3eae s LYS 70 Cb 0.13 -0.71 -0.11 0.00 -0.52 0.00 0.00 37.83 36.62 3eae s LYS 70 CO -0.04 0.18 0.97 -2.30 -0.92 0.00 0.00 175.35 173.24 3eae n PRO 71 N 2.10 1.28 -4.12 -1.68 -0.02 -1.26 -5.02 135.00 126.29 3eae n PRO 71 Ca -0.18 0.46 -0.15 0.00 -2.02 0.00 0.00 63.50 61.62 3eae n PRO 71 Cb 0.55 -1.97 -0.11 0.00 -0.02 0.00 0.00 33.50 31.95 3eae n PRO 71 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3eae s ASN 72 N -0.73 1.20 0.00 2.55 2.47 -1.26 -5.06 114.94 114.11 3eae s ASN 72 Ca 0.63 -0.63 0.31 0.00 0.42 0.00 0.00 52.86 53.58 3eae s ASN 72 Cb -0.58 0.01 1.60 0.00 -1.45 0.00 0.00 41.25 40.83 3eae s ASN 72 CO 0.57 -0.19 2.09 2.29 -3.72 0.00 0.00 177.10 178.14 3eae n LYS 73 N 1.19 0.54 -2.23 0.43 2.85 -1.26 -4.41 118.16 115.28 3eae n LYS 73 Ca -0.21 -0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.67 3eae n LYS 73 Cb 0.55 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.42 3eae n LYS 73 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3eae s ARG 74 N -2.46 3.83 0.06 -1.58 1.81 -1.26 -4.91 118.95 114.43 3eae s ARG 74 Ca 0.32 1.85 -0.30 0.00 -1.72 0.00 0.00 55.73 55.88 3eae s ARG 74 Cb 0.21 -2.51 -0.09 0.00 -0.45 0.00 0.00 34.95 32.11 3eae s ARG 74 CO 0.44 -0.51 1.95 -1.59 -0.68 0.00 0.00 175.30 174.91 3eae s LYS 75 N -2.55 4.14 0.00 3.54 -2.85 -1.26 -2.19 119.74 118.56 3eae s LYS 75 Ca 0.62 2.62 0.00 0.00 -1.00 0.00 0.00 55.97 58.21 3eae s LYS 75 Cb -0.31 -4.04 0.00 0.00 -2.06 0.00 0.00 37.83 31.42 3eae s LYS 75 CO 0.38 -0.94 0.00 0.41 0.10 0.00 0.00 175.35 175.30 3eae n GLY 76 N 4.49 1.43 0.18 0.59 0.00 -1.26 -4.75 105.19 105.85 3eae n GLY 76 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 3eae n GLY 76 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3eae h PHE 77 N 0.00 0.60 -0.17 1.61 3.57 -1.74 -0.42 116.94 120.39 3eae h PHE 77 Ca 0.00 -0.13 -0.18 0.00 3.53 0.00 0.00 57.97 61.19 3eae h PHE 77 Cb 0.00 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.59 3eae h PHE 77 CO 0.00 0.75 -0.62 -0.91 -2.23 0.00 0.00 178.31 175.30 3eae h ASN 78 N 0.28 0.69 -0.61 0.41 2.35 -1.79 0.25 115.58 117.15 3eae h ASN 78 Ca 0.07 -0.39 0.03 0.00 -0.55 0.00 0.00 56.30 55.46 3eae h ASN 78 Cb 0.56 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.69 3eae h ASN 78 CO 0.03 1.14 0.37 -0.08 -1.65 0.00 0.00 177.43 177.23 3eae h GLU 79 N 0.45 0.69 -0.51 0.81 4.81 -1.93 -2.28 114.58 116.61 3eae h GLU 79 Ca -0.01 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3eae h GLU 79 Cb 1.19 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 3eae h GLU 79 CO 0.12 0.46 0.19 0.78 -0.73 0.00 0.00 179.01 179.82 3eae h GLY 80 N 0.71 0.79 1.04 1.92 0.00 -0.53 -0.47 103.07 106.54 3eae h GLY 80 Ca 0.25 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 3eae h GLY 80 CO -0.12 0.38 0.14 1.41 0.00 0.00 0.00 176.54 178.35 3eae h LEU 81 N 0.73 0.99 -0.36 3.11 3.38 -0.73 -1.85 115.31 120.59 3eae h LEU 81 Ca 0.17 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3eae h LEU 81 Cb 0.17 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3eae h LEU 81 CO -0.01 0.98 0.21 -0.25 0.09 0.00 0.00 178.44 179.45 3eae h TRP 82 N 0.96 0.39 -0.49 1.13 7.01 -0.71 -2.68 115.95 121.57 3eae h TRP 82 Ca 0.20 0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.13 3eae h TRP 82 Cb 0.38 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.30 3eae h TRP 82 CO 0.03 0.23 -0.02 0.93 -2.79 0.00 0.00 178.44 176.82 3eae h GLU 83 N 0.43 0.87 0.00 2.65 5.08 -0.96 -0.51 114.58 122.13 3eae h GLU 83 Ca 0.14 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 3eae h GLU 83 Cb -0.00 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3eae h GLU 83 CO -0.06 0.92 -0.44 0.97 -1.00 0.00 0.00 179.01 179.39 3eae h ILE 84 N 0.73 1.20 0.05 3.13 2.10 -1.28 -1.75 117.51 121.69 3eae h ILE 84 Ca 0.13 -1.58 -0.27 0.00 1.08 0.00 0.00 64.86 64.22 3eae h ILE 84 Cb 0.54 1.88 -0.02 0.00 -1.09 0.00 0.00 36.82 38.13 3eae h ILE 84 CO 0.03 0.44 -1.41 -0.61 -1.08 0.00 0.00 178.15 175.52 3eae h GLN 85 N 0.00 0.11 0.00 2.19 4.15 -1.24 -3.38 115.11 116.94 3eae h GLN 85 Ca -0.00 -0.19 -0.24 0.00 0.77 0.00 0.00 58.65 58.99 3eae h GLN 85 Cb 0.85 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.56 3eae h GLN 85 CO 0.06 0.93 -1.91 0.09 -1.93 0.00 0.00 178.83 176.06 3eae n ASN 86 N -3.32 2.08 -2.87 -0.69 4.13 -0.22 -4.85 115.26 109.52 3eae n ASN 86 Ca -0.11 -0.03 -0.12 0.00 1.68 0.00 0.00 54.58 55.99 3eae n ASN 86 Cb 1.01 0.47 0.03 0.00 -1.54 0.00 0.00 39.78 39.75 3eae n ASN 86 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3eae n ASN 87 N -2.65 -1.89 0.22 6.41 2.85 -0.72 -5.02 115.26 114.47 3eae n ASN 87 Ca -0.24 -3.23 0.16 0.00 -0.11 0.00 0.00 54.58 51.15 3eae n ASN 87 Cb 0.89 1.16 0.70 0.00 1.24 0.00 0.00 39.78 43.77 3eae n ASN 87 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3eae h PRO 88 N 3.74 0.00 -0.30 1.20 0.13 -1.59 -3.12 132.00 132.06 3eae h PRO 88 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3eae h PRO 88 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3eae h PRO 88 CO 0.33 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.82 3eae n HIS 89 N -2.68 0.45 -1.71 1.56 8.25 -1.26 -4.97 115.22 114.86 3eae n HIS 89 Ca 0.00 -0.54 -0.31 0.00 -0.26 0.00 0.00 57.72 56.62 3eae n HIS 89 Cb 0.20 -0.06 0.05 0.00 1.12 0.00 0.00 29.99 31.30 3eae n HIS 89 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3eae s ALA 90 N -1.17 2.74 -0.33 -1.41 0.00 -1.18 -4.99 121.76 115.42 3eae s ALA 90 Ca 0.22 -0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.78 3eae s ALA 90 Cb 0.13 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.14 3eae s ALA 90 CO 0.13 -1.18 1.35 0.45 0.00 0.00 0.00 175.76 176.51 3eae s SER 91 N -4.04 6.57 -0.22 0.00 0.15 -1.26 -4.88 113.70 110.02 3eae s SER 91 Ca 0.58 1.12 0.15 0.00 0.70 0.00 0.00 55.95 58.50 3eae s SER 91 Cb -0.13 -2.54 0.73 0.00 -1.71 0.00 0.00 66.02 62.37 3eae s SER 91 CO 0.54 -1.18 1.64 -1.22 1.20 0.00 0.00 173.24 174.22 3eae n TYR 92 N 7.98 1.71 1.42 3.44 4.01 -1.26 -5.24 117.16 129.23 3eae n TYR 92 Ca 0.15 -0.79 0.14 0.00 -0.16 0.00 0.00 57.90 57.24 3eae n TYR 92 Cb 0.47 -0.45 0.46 0.00 -0.31 0.00 0.00 39.34 39.50 3eae n TYR 92 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85