#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yth s GLN 2 N 0.00 3.68 -0.10 0.54 0.74 -1.26 -5.08 119.66 118.18 1yth s GLN 2 Ca 0.00 -0.51 0.03 0.00 0.05 0.00 0.00 55.36 54.93 1yth s GLN 2 Cb 0.00 -2.96 0.01 0.00 1.10 0.00 0.00 33.01 31.16 1yth s GLN 2 CO 0.00 0.21 -0.18 0.42 -0.55 0.00 0.00 175.29 175.19 1yth s ILE 3 N 0.46 1.62 0.42 -2.34 1.01 -1.26 -5.13 121.20 115.99 1yth s ILE 3 Ca -0.03 -0.74 -0.00 0.00 0.00 0.00 0.00 60.65 59.88 1yth s ILE 3 Cb -0.14 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 1yth s ILE 3 CO 0.03 0.46 0.65 0.42 0.00 0.00 0.00 174.94 176.50 1yth s THR 4 N 0.72 4.44 -0.25 2.92 -4.23 -1.26 -5.03 115.64 112.94 1yth s THR 4 Ca -0.12 -0.41 0.12 0.00 -1.18 0.00 0.00 61.69 60.10 1yth s THR 4 Cb -0.16 -3.64 0.55 0.00 1.34 0.00 0.00 72.50 70.59 1yth s THR 4 CO 0.02 -0.46 1.50 0.18 -0.54 0.00 0.00 174.62 175.33 1yth n LEU 5 N -2.01 4.33 0.14 4.79 4.77 -1.26 -4.40 117.00 123.36 1yth n LEU 5 Ca -0.01 -3.39 -0.01 0.00 -0.03 0.00 0.00 56.01 52.57 1yth n LEU 5 Cb 0.57 -0.62 0.17 0.00 -2.33 0.00 0.00 43.42 41.21 1yth n LEU 5 CO 0.49 0.96 0.50 -0.50 -1.33 0.00 0.00 177.39 177.50 1yth h TRP 6 N 1.47 0.00 -1.92 -1.77 4.06 -2.06 -3.43 115.95 112.29 1yth h TRP 6 Ca 0.16 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.50 1yth h TRP 6 Cb 1.70 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 29.73 1yth h TRP 6 CO 0.85 0.61 -0.65 0.15 -3.56 0.00 0.00 178.44 175.84 1yth s LYS 7 N -3.54 1.94 0.31 0.49 1.02 -1.26 -5.08 119.74 113.61 1yth s LYS 7 Ca -0.01 -1.86 -0.30 0.00 0.02 0.00 0.00 55.97 53.83 1yth s LYS 7 Cb 0.12 -1.81 -0.11 0.00 -0.52 0.00 0.00 37.83 35.51 1yth s LYS 7 CO 0.75 0.13 1.59 1.03 -0.92 0.00 0.00 175.35 177.94 1yth s ARG 8 N -3.66 4.11 -1.15 1.68 0.52 -1.26 -4.88 118.95 114.31 1yth s ARG 8 Ca 0.34 2.60 -0.18 0.00 -0.52 0.00 0.00 55.73 57.96 1yth s ARG 8 Cb 0.01 -3.01 -0.04 0.00 0.52 0.00 0.00 34.95 32.43 1yth s ARG 8 CO 0.18 -0.63 2.02 -0.35 0.02 0.00 0.00 175.30 176.54 1yth n PRO 9 N 1.88 2.25 -3.27 3.54 -0.04 -1.26 -4.94 135.00 133.15 1yth n PRO 9 Ca 0.07 -2.39 -0.38 0.00 -0.04 0.00 0.00 63.50 60.76 1yth n PRO 9 Cb 0.37 -3.22 -0.06 0.00 -0.04 0.00 0.00 33.50 30.55 1yth n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1yth s LEU 10 N 2.98 4.50 0.06 1.53 2.01 -1.26 -0.49 118.68 128.00 1yth s LEU 10 Ca 0.54 1.25 0.02 0.00 0.01 0.00 0.00 54.13 55.95 1yth s LEU 10 Cb 0.11 -2.98 -0.03 0.00 0.01 0.00 0.00 46.19 43.31 1yth s LEU 10 CO 0.03 0.24 -0.07 -0.69 1.01 0.00 0.00 176.35 176.87 1yth s VAL 11 N -1.18 0.56 -0.09 -1.59 1.01 0.72 -4.92 120.40 114.92 1yth s VAL 11 Ca 0.31 -1.29 -0.20 0.00 0.00 0.00 0.00 61.98 60.80 1yth s VAL 11 Cb -0.19 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1yth s VAL 11 CO 0.19 -0.51 0.54 -0.89 0.00 0.00 0.00 175.10 174.43 1yth s THR 12 N -1.96 5.12 0.25 3.92 2.01 -1.26 -0.36 115.64 123.36 1yth s THR 12 Ca -0.05 1.10 0.11 0.00 0.31 0.00 0.00 61.69 63.16 1yth s THR 12 Cb -0.06 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 1yth s THR 12 CO -0.01 0.33 -0.15 0.27 -0.69 0.00 0.00 174.62 174.36 1yth s ILE 13 N 0.53 2.74 -0.13 1.82 -4.36 0.50 -2.36 121.20 119.94 1yth s ILE 13 Ca 0.29 -2.17 0.02 0.00 -0.26 0.00 0.00 60.65 58.53 1yth s ILE 13 Cb -0.16 -2.42 0.02 0.00 1.25 0.00 0.00 42.46 41.15 1yth s ILE 13 CO 0.13 -0.32 -0.17 -0.60 0.24 0.00 0.00 174.94 174.22 1yth s ARG 14 N -3.35 2.48 -0.15 0.37 3.52 -0.55 -0.99 118.95 120.28 1yth s ARG 14 Ca 0.28 -0.65 -0.07 0.00 -0.13 0.00 0.00 55.73 55.16 1yth s ARG 14 Cb -0.06 -2.11 0.06 0.00 -1.56 0.00 0.00 34.95 31.29 1yth s ARG 14 CO 0.15 -0.09 0.34 -1.50 -0.81 0.00 0.00 175.30 173.40 1yth s ILE 15 N 1.05 -0.26 -1.67 4.11 2.07 0.81 -1.54 121.20 125.77 1yth s ILE 15 Ca -0.04 0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.37 1yth s ILE 15 Cb -0.15 -0.54 0.00 0.00 0.13 0.00 0.00 42.46 41.91 1yth s ILE 15 CO -0.04 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.67 1yth n GLY 16 N 4.76 0.03 2.24 1.50 0.00 -1.26 -0.50 105.19 111.96 1yth n GLY 16 Ca -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1yth n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yth n GLY 17 N -0.95 2.13 3.87 -0.02 0.00 -1.26 -5.03 105.19 103.93 1yth n GLY 17 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1yth n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yth s GLN 18 N -0.25 3.69 0.19 1.61 -0.21 0.35 -5.09 119.66 119.94 1yth s GLN 18 Ca 0.00 0.08 -0.09 0.00 0.02 0.00 0.00 55.36 55.37 1yth s GLN 18 Cb 0.00 -3.06 -0.07 0.00 1.00 0.00 0.00 33.01 30.88 1yth s GLN 18 CO 0.00 0.62 0.50 -0.51 -2.12 0.00 0.00 175.29 173.78 1yth s LEU 19 N -1.73 4.22 0.22 2.90 1.02 -1.26 -0.13 118.68 123.92 1yth s LEU 19 Ca 0.29 0.87 -0.16 0.00 0.02 0.00 0.00 54.13 55.15 1yth s LEU 19 Cb -0.14 -3.50 0.01 0.00 0.02 0.00 0.00 46.19 42.59 1yth s LEU 19 CO 0.16 -0.01 0.51 -0.54 0.02 0.00 0.00 176.35 176.50 1yth s LYS 20 N -2.59 1.46 -0.09 1.70 -0.14 -0.16 -4.95 119.74 114.97 1yth s LYS 20 Ca 0.44 -1.02 -0.01 0.00 -1.36 0.00 0.00 55.97 54.02 1yth s LYS 20 Cb -0.12 0.50 -0.03 0.00 -1.68 0.00 0.00 37.83 36.50 1yth s LYS 20 CO 0.21 -0.62 -0.05 -1.21 -0.76 0.00 0.00 175.35 172.93 1yth s GLU 21 N -3.93 2.96 0.04 1.68 8.01 -1.26 -0.37 118.70 125.82 1yth s GLU 21 Ca 0.14 -0.51 -0.08 0.00 0.01 0.00 0.00 54.97 54.53 1yth s GLU 21 Cb -0.01 -2.69 -0.00 0.00 -4.31 0.00 0.00 34.13 27.12 1yth s GLU 21 CO 0.02 0.61 0.17 0.00 0.01 0.00 0.00 175.26 176.06 1yth s ALA 22 N -0.64 -0.29 -0.19 5.21 0.00 0.51 -4.52 121.76 121.85 1yth s ALA 22 Ca 0.10 -0.33 -0.20 0.00 0.00 0.00 0.00 51.96 51.52 1yth s ALA 22 Cb -0.12 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 1yth s ALA 22 CO 0.02 -0.34 0.60 -1.17 0.00 0.00 0.00 175.76 174.87 1yth s LEU 23 N -2.03 4.16 -0.31 0.00 0.20 -0.01 -0.20 118.68 120.50 1yth s LEU 23 Ca -0.06 0.81 -0.29 0.00 0.69 0.00 0.00 54.13 55.28 1yth s LEU 23 Cb -0.02 -2.84 -0.01 0.00 -0.43 0.00 0.00 46.19 42.89 1yth s LEU 23 CO -0.03 -0.22 1.47 -0.76 -0.29 0.00 0.00 176.35 176.52 1yth s LEU 24 N 1.70 3.77 -0.28 -0.68 1.02 0.36 -0.88 118.68 123.69 1yth s LEU 24 Ca 0.28 1.24 -0.00 0.00 0.02 0.00 0.00 54.13 55.67 1yth s LEU 24 Cb -0.16 -3.54 0.08 0.00 0.02 0.00 0.00 46.19 42.60 1yth s LEU 24 CO 0.11 -1.29 0.05 -0.62 0.02 0.00 0.00 176.35 174.62 1yth s ASP 25 N 3.85 3.89 0.09 2.29 -1.08 -0.74 -4.75 116.67 120.23 1yth s ASP 25 Ca 0.64 -1.46 0.22 0.00 -0.52 0.00 0.00 52.55 51.43 1yth s ASP 25 Cb -0.19 -0.97 0.89 0.00 -1.46 0.00 0.00 42.92 41.19 1yth s ASP 25 CO 0.28 -0.36 1.69 0.35 0.52 0.00 0.00 175.17 177.65 1yth n THR 26 N 4.78 0.65 1.25 1.71 -2.24 -1.26 -2.69 114.28 116.48 1yth n THR 26 Ca -0.05 0.10 0.07 0.00 -2.27 0.00 0.00 64.05 61.91 1yth n THR 26 Cb 0.43 -0.85 0.26 0.00 -2.10 0.00 0.00 70.33 68.07 1yth n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yth n GLY 27 N 0.57 0.15 3.35 3.38 0.00 -1.26 -4.82 105.19 106.56 1yth n GLY 27 Ca 0.04 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 1yth n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yth s ALA 28 N -1.73 2.46 0.16 4.61 0.00 -1.10 -5.00 121.76 121.17 1yth s ALA 28 Ca 0.24 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 1yth s ALA 28 Cb 0.13 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 22.30 1yth s ALA 28 CO 0.18 0.37 1.43 -0.44 0.00 0.00 0.00 175.76 177.31 1yth h ASP 29 N 6.21 0.71 -1.55 0.00 3.32 -1.88 -0.10 116.42 123.12 1yth h ASP 29 Ca -0.31 -0.42 -0.62 0.00 0.02 0.00 0.00 57.03 55.70 1yth h ASP 29 Cb 1.19 -0.21 -0.12 0.00 0.22 0.00 0.00 39.33 40.42 1yth h ASP 29 CO 0.51 1.17 -0.57 -1.81 -1.72 0.00 0.00 179.24 176.81 1yth s ASP 30 N -6.98 4.00 -0.25 6.45 1.01 -1.26 -2.23 116.67 117.42 1yth s ASP 30 Ca -0.08 -1.34 -0.09 0.00 0.71 0.00 0.00 52.55 51.76 1yth s ASP 30 Cb 0.10 -0.34 -0.04 0.00 1.01 0.00 0.00 42.92 43.65 1yth s ASP 30 CO 0.86 -0.50 0.11 -0.89 0.21 0.00 0.00 175.17 174.96 1yth s THR 31 N -2.70 4.72 -0.06 -1.27 2.01 -1.26 -2.65 115.64 114.42 1yth s THR 31 Ca 0.34 -0.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.29 1yth s THR 31 Cb 0.08 -3.21 0.03 0.00 0.01 0.00 0.00 72.50 69.41 1yth s THR 31 CO 0.18 0.33 0.01 0.54 -0.69 0.00 0.00 174.62 174.98 1yth s VAL 32 N 1.49 0.31 0.07 3.82 0.11 -0.67 -0.83 120.40 124.70 1yth s VAL 32 Ca 0.06 0.14 0.03 0.00 -2.93 0.00 0.00 61.98 59.28 1yth s VAL 32 Cb -0.15 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 1yth s VAL 32 CO 0.06 0.24 0.03 -0.76 -3.33 0.00 0.00 175.10 171.33 1yth s LEU 33 N 1.82 3.61 0.90 2.54 1.02 0.19 -0.36 118.68 128.40 1yth s LEU 33 Ca 0.02 -0.08 -0.12 0.00 0.02 0.00 0.00 54.13 53.97 1yth s LEU 33 Cb -0.12 -2.27 0.07 0.00 0.02 0.00 0.00 46.19 43.88 1yth s LEU 33 CO -0.04 0.19 0.77 -0.62 0.02 0.00 0.00 176.35 176.67 1yth n GLU 34 N 0.68 -0.22 -1.75 1.70 1.02 -1.26 -1.21 120.64 119.59 1yth n GLU 34 Ca -0.11 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.61 1yth n GLU 34 Cb 0.52 -2.10 -0.03 0.00 -0.02 0.00 0.00 31.44 29.80 1yth n GLU 34 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1yth s GLU 35 N -3.94 4.15 0.08 3.49 -6.30 -1.23 -4.51 118.70 110.43 1yth s GLU 35 Ca 0.63 2.54 -0.06 0.00 -2.50 0.00 0.00 54.97 55.58 1yth s GLU 35 Cb -0.24 -3.86 -0.02 0.00 0.00 0.00 0.00 34.13 30.01 1yth s GLU 35 CO 0.61 -0.88 0.12 0.00 0.02 0.00 0.00 175.26 175.13 1yth s MET 36 N 3.56 0.78 -0.16 4.30 0.23 -1.26 -5.03 119.30 121.72 1yth s MET 36 Ca 0.82 -1.06 -0.22 0.00 -1.03 0.00 0.00 55.69 54.20 1yth s MET 36 Cb -0.43 0.30 -0.02 0.00 -1.53 0.00 0.00 34.83 33.15 1yth s MET 36 CO 0.37 -0.22 0.69 -0.80 -2.03 0.00 0.00 175.02 173.04 1yth s ASN 37 N -2.89 6.82 0.13 -1.18 0.01 -1.26 -5.05 114.94 111.52 1yth s ASN 37 Ca 0.07 1.00 0.08 0.00 -0.71 0.00 0.00 52.86 53.30 1yth s ASN 37 Cb 0.06 -2.39 -0.04 0.00 0.41 0.00 0.00 41.25 39.29 1yth s ASN 37 CO -0.10 -0.27 -0.19 -0.76 -1.51 0.00 0.00 177.10 174.27 1yth s LEU 38 N 1.71 2.36 0.47 0.60 1.43 -1.26 -5.05 118.68 118.94 1yth s LEU 38 Ca 0.33 -0.77 -0.22 0.00 -1.03 0.00 0.00 54.13 52.44 1yth s LEU 38 Cb -0.16 -0.84 -0.07 0.00 0.03 0.00 0.00 46.19 45.15 1yth s LEU 38 CO 0.12 0.01 1.14 -2.16 0.23 0.00 0.00 176.35 175.69 1yth s PRO 39 N -2.32 3.73 0.00 1.29 0.04 -1.26 -4.95 135.00 131.53 1yth s PRO 39 Ca 0.10 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1yth s PRO 39 Cb -0.08 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1yth s PRO 39 CO 0.05 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 176.94 1yth n GLY 40 N 0.34 3.12 3.76 0.56 0.00 -1.26 -4.98 105.19 106.74 1yth n GLY 40 Ca 0.08 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 1yth n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yth s LYS 41 N -2.56 4.64 0.21 1.61 3.01 -1.26 -5.08 119.74 120.31 1yth s LYS 41 Ca 0.00 1.26 0.10 0.00 -1.01 0.00 0.00 55.97 56.32 1yth s LYS 41 Cb 0.00 -3.30 -0.05 0.00 -1.01 0.00 0.00 37.83 33.47 1yth s LYS 41 CO 0.00 0.45 -0.20 1.67 0.51 0.00 0.00 175.35 177.78 1yth s TRP 42 N -0.75 2.06 0.06 3.18 1.48 -1.26 -4.64 118.94 119.06 1yth s TRP 42 Ca 0.39 -0.42 0.05 0.00 -1.06 0.00 0.00 56.10 55.06 1yth s TRP 42 Cb -0.23 -0.98 -0.04 0.00 -1.16 0.00 0.00 33.47 31.07 1yth s TRP 42 CO 0.27 0.49 -0.06 0.15 -4.06 0.00 0.00 176.95 173.74 1yth s LYS 43 N -3.09 2.42 0.46 3.25 -0.14 -0.61 -4.85 119.74 117.18 1yth s LYS 43 Ca 0.22 -0.84 -0.23 0.00 -1.36 0.00 0.00 55.97 53.76 1yth s LYS 43 Cb -0.05 -2.45 -0.07 0.00 -1.68 0.00 0.00 37.83 33.57 1yth s LYS 43 CO 0.10 0.56 1.16 -1.25 -0.76 0.00 0.00 175.35 175.16 1yth s PRO 44 N -1.88 3.74 0.05 -1.68 0.04 -1.26 0.05 135.00 134.06 1yth s PRO 44 Ca 0.21 1.77 -0.05 0.00 0.04 0.00 0.00 61.00 62.96 1yth s PRO 44 Cb -0.11 -2.39 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 1yth s PRO 44 CO 0.12 -0.56 0.09 0.21 0.04 0.00 0.00 177.00 176.89 1yth s LYS 45 N -2.72 0.64 -0.07 4.56 2.20 -0.31 -4.84 119.74 119.20 1yth s LYS 45 Ca 0.64 -0.89 0.04 0.00 -0.36 0.00 0.00 55.97 55.40 1yth s LYS 45 Cb -0.28 0.25 -0.02 0.00 -1.51 0.00 0.00 37.83 36.27 1yth s LYS 45 CO 0.34 -0.16 -0.19 -1.64 -0.36 0.00 0.00 175.35 173.34 1yth s MET 46 N -3.12 2.72 0.14 4.03 -1.94 -1.26 -0.69 119.30 119.17 1yth s MET 46 Ca -0.01 -0.79 0.05 0.00 -1.71 0.00 0.00 55.69 53.23 1yth s MET 46 Cb 0.02 -2.34 -0.04 0.00 2.01 0.00 0.00 34.83 34.48 1yth s MET 46 CO -0.07 0.42 -0.11 0.96 -0.01 0.00 0.00 175.02 176.21 1yth s ILE 47 N -0.23 1.19 0.19 2.53 -4.36 -0.16 -4.97 121.20 115.39 1yth s ILE 47 Ca -0.00 -1.93 0.09 0.00 -0.26 0.00 0.00 60.65 58.55 1yth s ILE 47 Cb -0.13 -1.71 -0.04 0.00 1.25 0.00 0.00 42.46 41.83 1yth s ILE 47 CO 0.03 -0.64 -0.06 -0.83 0.24 0.00 0.00 174.94 173.68 1yth s GLY 48 N -2.91 1.72 0.00 6.27 0.00 -1.26 -0.73 107.32 110.42 1yth s GLY 48 Ca 0.13 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.38 1yth s GLY 48 CO 0.01 -1.50 0.00 0.61 0.00 0.00 0.00 173.10 172.22 1yth n GLY 49 N -0.12 4.75 0.32 0.20 0.00 0.35 -4.97 105.19 105.72 1yth n GLY 49 Ca -0.10 -1.52 0.01 0.00 0.00 0.00 0.00 46.02 44.41 1yth n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1yth h ILE 50 N 0.39 1.17 -0.01 -0.61 6.09 -2.01 -2.76 117.51 119.77 1yth h ILE 50 Ca 0.00 -0.44 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 1yth h ILE 50 Cb 0.00 0.42 0.00 0.00 0.47 0.00 0.00 36.82 37.71 1yth h ILE 50 CO 0.00 0.19 -0.27 0.61 -3.07 0.00 0.00 178.15 175.61 1yth n GLY 51 N -1.27 -0.46 0.00 8.18 0.00 -1.26 -5.06 105.19 105.32 1yth n GLY 51 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1yth n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yth n GLY 52 N 1.34 0.88 3.65 -0.02 0.00 -1.04 -5.09 105.19 104.91 1yth n GLY 52 Ca 0.12 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 1yth n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yth s PHE 53 N -2.30 3.03 0.13 1.61 0.40 -1.26 -0.50 117.98 119.10 1yth s PHE 53 Ca 0.00 0.06 0.04 0.00 -0.60 0.00 0.00 56.93 56.43 1yth s PHE 53 Cb 0.00 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 1yth s PHE 53 CO 0.00 0.43 -0.10 0.96 0.70 0.00 0.00 175.22 177.21 1yth s ILE 54 N -1.01 1.10 -0.10 0.64 -4.36 0.09 -4.97 121.20 112.59 1yth s ILE 54 Ca 0.17 -1.99 -0.09 0.00 -0.26 0.00 0.00 60.65 58.49 1yth s ILE 54 Cb -0.11 -1.76 -0.04 0.00 1.25 0.00 0.00 42.46 41.79 1yth s ILE 54 CO 0.08 -0.73 0.20 -1.59 0.24 0.00 0.00 174.94 173.14 1yth s LYS 55 N -3.60 3.62 0.28 0.37 0.00 -1.26 -0.99 119.74 118.16 1yth s LYS 55 Ca 0.15 -0.01 0.03 0.00 0.00 0.00 0.00 55.97 56.13 1yth s LYS 55 Cb 0.02 -3.22 -0.06 0.00 0.00 0.00 0.00 37.83 34.57 1yth s LYS 55 CO -0.00 0.71 0.06 0.14 0.00 0.00 0.00 175.35 176.26 1yth s VAL 56 N -0.89 0.89 -0.17 1.79 -7.23 0.13 -4.57 120.40 110.35 1yth s VAL 56 Ca 0.16 -2.01 -0.07 0.00 -1.81 0.00 0.00 61.98 58.26 1yth s VAL 56 Cb -0.13 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 1yth s VAL 56 CO 0.06 -0.05 0.07 -0.13 -0.31 0.00 0.00 175.10 174.73 1yth s ARG 57 N -3.95 3.89 -0.23 4.82 0.52 -0.01 -1.17 118.95 122.82 1yth s ARG 57 Ca 0.36 -0.33 -0.08 0.00 -0.52 0.00 0.00 55.73 55.16 1yth s ARG 57 Cb 0.08 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 1yth s ARG 57 CO 0.14 0.34 0.08 -1.14 0.02 0.00 0.00 175.30 174.74 1yth s GLN 58 N 0.19 3.79 -0.19 3.54 0.74 0.11 -0.76 119.66 127.08 1yth s GLN 58 Ca 0.05 -0.42 -0.05 0.00 0.05 0.00 0.00 55.36 54.99 1yth s GLN 58 Cb -0.12 -3.34 -0.03 0.00 1.10 0.00 0.00 33.01 30.63 1yth s GLN 58 CO 0.00 -0.05 -0.01 0.71 -0.55 0.00 0.00 175.29 175.39 1yth s TYR 59 N 1.27 3.04 0.29 1.67 1.51 0.12 -1.57 117.35 123.68 1yth s TYR 59 Ca 0.05 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.74 1yth s TYR 59 Cb -0.15 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.63 1yth s TYR 59 CO 0.04 -0.16 0.46 -0.51 -1.11 0.00 0.00 175.55 174.27 1yth s ASP 60 N 0.78 6.32 -1.51 2.29 1.01 -1.26 -0.72 116.67 123.58 1yth s ASP 60 Ca -0.00 0.33 -0.09 0.00 0.71 0.00 0.00 52.55 53.50 1yth s ASP 60 Cb -0.14 -1.98 0.07 0.00 1.01 0.00 0.00 42.92 41.88 1yth s ASP 60 CO 0.02 -0.18 0.72 0.00 0.21 0.00 0.00 175.17 175.94 1yth n GLN 61 N -1.44 -4.11 -3.35 8.23 1.13 -1.17 -4.90 117.38 111.78 1yth n GLN 61 Ca -0.06 0.48 -0.38 0.00 -1.94 0.00 0.00 57.00 55.10 1yth n GLN 61 Cb 0.56 -5.05 -0.06 0.00 0.11 0.00 0.00 30.24 25.80 1yth n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1yth s ILE 62 N -3.55 4.90 -0.02 5.09 -1.09 0.15 -4.69 121.20 121.99 1yth s ILE 62 Ca 0.40 1.07 -0.26 0.00 -2.23 0.00 0.00 60.65 59.63 1yth s ILE 62 Cb -0.21 -3.83 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 1yth s ILE 62 CO 0.87 0.53 0.79 -2.84 -1.23 0.00 0.00 174.94 173.06 1yth s PRO 63 N -0.84 4.49 -0.01 2.79 0.02 -1.26 -0.65 135.00 139.54 1yth s PRO 63 Ca 0.27 1.08 0.01 0.00 0.02 0.00 0.00 61.00 62.38 1yth s PRO 63 Cb -0.18 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 30.91 1yth s PRO 63 CO 0.16 0.08 -0.04 0.08 -0.33 0.00 0.00 177.00 176.95 1yth s VAL 64 N 0.66 0.40 -0.24 3.83 1.01 -0.24 -4.53 120.40 121.29 1yth s VAL 64 Ca 0.42 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 1yth s VAL 64 Cb -0.19 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.82 1yth s VAL 64 CO 0.22 0.14 -0.02 -0.70 0.00 0.00 0.00 175.10 174.74 1yth s GLU 65 N 0.21 3.17 -0.29 2.72 2.12 -0.59 -1.27 118.70 124.77 1yth s GLU 65 Ca -0.02 -0.77 -0.02 0.00 0.36 0.00 0.00 54.97 54.52 1yth s GLU 65 Cb -0.06 -3.07 0.04 0.00 0.26 0.00 0.00 34.13 31.30 1yth s GLU 65 CO -0.00 -0.30 -0.00 0.42 -0.54 0.00 0.00 175.26 174.83 1yth s ILE 66 N 1.44 3.05 -1.40 -3.70 1.01 0.36 -1.49 121.20 120.47 1yth s ILE 66 Ca 0.04 -1.29 -0.09 0.00 0.00 0.00 0.00 60.65 59.31 1yth s ILE 66 Cb -0.15 -2.72 0.06 0.00 0.01 0.00 0.00 42.46 39.66 1yth s ILE 66 CO -0.03 -0.06 0.62 0.00 0.00 0.00 0.00 174.94 175.48 1yth n GLY 68 N -1.36 0.94 3.73 0.00 0.00 -1.26 -5.02 105.19 102.21 1yth n GLY 68 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1yth n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1yth s HIS 69 N -3.74 3.34 0.06 1.61 4.02 0.25 -5.06 115.29 115.78 1yth s HIS 69 Ca 0.00 0.26 -0.16 0.00 1.02 0.00 0.00 55.06 56.18 1yth s HIS 69 Cb 0.00 -1.96 -0.06 0.00 -1.02 0.00 0.00 32.58 29.53 1yth s HIS 69 CO 0.00 0.42 0.50 -1.59 1.02 0.00 0.00 174.74 175.09 1yth s LYS 70 N -0.40 4.02 0.05 1.40 0.00 -1.26 -0.49 119.74 123.06 1yth s LYS 70 Ca 0.10 0.53 0.02 0.00 0.00 0.00 0.00 55.97 56.62 1yth s LYS 70 Cb -0.12 -3.15 -0.03 0.00 0.00 0.00 0.00 37.83 34.54 1yth s LYS 70 CO 0.02 0.62 -0.07 0.00 0.00 0.00 0.00 175.35 175.91 1yth s ALA 71 N -1.20 0.58 -0.14 0.59 0.00 -0.40 -4.68 121.76 116.51 1yth s ALA 71 Ca 0.29 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 1yth s ALA 71 Cb -0.17 0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.06 1yth s ALA 71 CO 0.17 -0.06 0.02 0.42 0.00 0.00 0.00 175.76 176.31 1yth s ILE 72 N -1.66 0.44 0.06 0.00 1.01 -1.26 -1.07 121.20 118.72 1yth s ILE 72 Ca -0.08 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.25 1yth s ILE 72 Cb -0.08 -0.82 0.02 0.00 0.01 0.00 0.00 42.46 41.59 1yth s ILE 72 CO -0.00 -0.02 0.24 0.61 0.00 0.00 0.00 174.94 175.76 1yth n GLY 73 N 5.10 1.27 3.76 6.18 0.00 0.18 -4.79 105.19 116.88 1yth n GLY 73 Ca -0.08 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 1yth n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yth s THR 74 N -2.52 3.66 -0.05 2.61 2.01 -1.26 -0.68 115.64 119.41 1yth s THR 74 Ca 0.05 1.66 0.03 0.00 0.31 0.00 0.00 61.69 63.74 1yth s THR 74 Cb -0.01 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.45 1yth s THR 74 CO 0.02 0.39 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.53 1yth s VAL 75 N -1.18 1.05 -0.09 3.82 1.01 0.11 -4.58 120.40 120.54 1yth s VAL 75 Ca 0.44 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1yth s VAL 75 Cb -0.30 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1yth s VAL 75 CO 0.38 0.33 -0.03 -0.76 0.00 0.00 0.00 175.10 175.02 1yth s LEU 76 N 0.40 3.40 -0.11 3.92 1.43 -0.01 -0.70 118.68 127.02 1yth s LEU 76 Ca -0.09 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1yth s LEU 76 Cb -0.13 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.33 1yth s LEU 76 CO 0.02 0.33 -0.17 -0.69 0.23 0.00 0.00 176.35 176.07 1yth s VAL 77 N -0.62 1.64 0.00 -1.59 1.01 0.06 -0.64 120.40 120.26 1yth s VAL 77 Ca 0.10 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1yth s VAL 77 Cb -0.12 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.79 1yth s VAL 77 CO 0.02 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1yth n GLY 78 N 4.00 0.49 2.56 4.51 0.00 -0.35 -0.83 105.19 115.56 1yth n GLY 78 Ca -0.20 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 1yth n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yth n PRO 79 N 0.00 3.33 -3.36 1.61 -0.04 -1.26 -3.52 135.00 131.75 1yth n PRO 79 Ca 0.00 -2.54 -0.36 0.00 -0.04 0.00 0.00 63.50 60.56 1yth n PRO 79 Cb 0.00 -3.04 -0.06 0.00 -0.04 0.00 0.00 33.50 30.36 1yth n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1yth s THR 80 N 2.40 4.85 0.02 0.52 -1.32 -1.26 -4.98 115.64 115.87 1yth s THR 80 Ca 0.56 0.91 0.32 0.00 -1.21 0.00 0.00 61.69 62.28 1yth s THR 80 Cb 0.16 -3.77 0.36 0.00 -1.51 0.00 0.00 72.50 67.73 1yth s THR 80 CO -0.07 0.36 1.96 1.55 -2.21 0.00 0.00 174.62 176.20 1yth h PRO 81 N 3.92 0.00 -2.58 7.08 0.13 -1.98 -3.44 132.00 135.14 1yth h PRO 81 Ca -0.49 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 1yth h PRO 81 Cb 1.20 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 1yth h PRO 81 CO 0.65 0.00 -0.08 0.54 -0.23 0.00 0.00 178.00 178.88 1yth s VAL 82 N -3.64 0.03 0.01 1.56 0.11 -1.26 -5.10 120.40 112.10 1yth s VAL 82 Ca 0.01 -0.23 -0.30 0.00 -2.93 0.00 0.00 61.98 58.53 1yth s VAL 82 Cb 0.09 -0.77 -0.05 0.00 -1.53 0.00 0.00 36.38 34.12 1yth s VAL 82 CO 0.47 -0.13 1.28 0.20 -3.33 0.00 0.00 175.10 173.60 1yth s ASN 83 N -1.04 6.97 -0.05 3.54 0.01 -1.26 -4.75 114.94 118.36 1yth s ASN 83 Ca -0.11 2.01 0.05 0.00 -0.71 0.00 0.00 52.86 54.10 1yth s ASN 83 Cb -0.03 -2.57 -0.00 0.00 0.41 0.00 0.00 41.25 39.06 1yth s ASN 83 CO 0.06 -0.60 -0.19 0.27 -1.51 0.00 0.00 177.10 175.12 1yth s ILE 84 N 1.89 1.60 -0.30 0.60 -4.36 0.51 -0.83 121.20 120.31 1yth s ILE 84 Ca 0.60 -0.80 -0.16 0.00 -0.26 0.00 0.00 60.65 60.02 1yth s ILE 84 Cb -0.29 -1.37 -0.02 0.00 1.25 0.00 0.00 42.46 42.02 1yth s ILE 84 CO 0.26 0.46 0.44 -0.63 0.24 0.00 0.00 174.94 175.70 1yth s ILE 85 N 0.04 5.11 0.25 8.37 -1.09 -0.06 -1.66 121.20 132.15 1yth s ILE 85 Ca -0.05 0.51 0.04 0.00 -2.23 0.00 0.00 60.65 58.92 1yth s ILE 85 Cb -0.13 -3.81 0.04 0.00 -1.58 0.00 0.00 42.46 36.98 1yth s ILE 85 CO 0.03 0.01 0.33 0.61 -1.23 0.00 0.00 174.94 174.70 1yth n GLY 86 N 4.69 2.00 0.25 6.18 0.00 -1.08 -1.79 105.19 115.43 1yth n GLY 86 Ca -0.07 -2.17 0.08 0.00 0.00 0.00 0.00 46.02 43.86 1yth n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1yth h ARG 87 N 0.00 0.00 -0.67 1.61 3.08 -0.97 -2.00 114.38 115.43 1yth h ARG 87 Ca -0.12 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.03 1yth h ARG 87 Cb 0.54 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 1yth h ARG 87 CO 0.17 0.10 0.44 -2.95 -1.07 0.00 0.00 179.97 176.67 1yth h ASN 88 N 0.00 0.45 0.19 7.04 -1.07 -1.71 -2.17 115.58 118.31 1yth h ASN 88 Ca -0.00 0.01 -0.27 0.00 0.07 0.00 0.00 56.30 56.11 1yth h ASN 88 Cb 0.20 -0.08 -0.05 0.00 -2.07 0.00 0.00 38.32 36.32 1yth h ASN 88 CO 0.01 0.27 -2.06 0.18 0.07 0.00 0.00 177.43 175.90 1yth n LEU 89 N -4.48 0.28 -0.23 6.14 4.77 -0.81 -4.18 117.00 118.48 1yth n LEU 89 Ca 0.11 0.13 -0.05 0.00 -0.03 0.00 0.00 56.01 56.17 1yth n LEU 89 Cb 0.37 0.30 0.11 0.00 -2.33 0.00 0.00 43.42 41.87 1yth n LEU 89 CO 0.33 0.35 1.01 -0.07 -1.33 0.00 0.00 177.39 177.69 1yth h LEU 90 N 0.00 0.99 -0.75 2.23 3.38 -1.28 -2.48 115.31 117.40 1yth h LEU 90 Ca -0.36 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.36 1yth h LEU 90 Cb 1.91 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.38 1yth h LEU 90 CO 0.04 0.91 0.07 0.71 0.09 0.00 0.00 178.44 180.25 1yth h THR 91 N 1.03 1.26 -0.76 0.22 1.35 -1.59 -1.77 112.91 112.65 1yth h THR 91 Ca 0.23 -1.04 0.01 0.00 -0.55 0.00 0.00 66.41 65.07 1yth h THR 91 Cb 0.26 0.71 -0.04 0.00 -1.73 0.00 0.00 68.15 67.35 1yth h THR 91 CO -0.01 0.38 0.50 1.56 -0.25 0.00 0.00 175.52 177.70 1yth h GLN 92 N 0.95 0.97 -0.45 4.72 4.20 -1.62 -1.92 115.11 121.96 1yth h GLN 92 Ca 0.19 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1yth h GLN 92 Cb 0.45 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1yth h GLN 92 CO 0.02 0.64 0.00 0.44 -0.67 0.00 0.00 178.83 179.26 1yth n ILE 93 N -4.43 0.65 -2.03 2.54 -5.35 -0.97 -4.90 119.36 104.87 1yth n ILE 93 Ca 0.09 -0.57 -0.07 0.00 -0.27 0.00 0.00 62.75 61.92 1yth n ILE 93 Cb 0.05 0.21 -0.01 0.00 -1.74 0.00 0.00 39.64 38.15 1yth n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1yth n GLY 94 N 1.07 0.18 3.72 3.28 0.00 -0.72 -4.99 105.19 107.73 1yth n GLY 94 Ca 0.14 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1yth n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yth s THR 96 N 0.46 1.57 -0.09 0.00 -4.23 -1.26 -4.73 115.64 107.35 1yth s THR 96 Ca 0.52 -2.07 -0.16 0.00 -1.18 0.00 0.00 61.69 58.80 1yth s THR 96 Cb -0.26 -1.90 -0.05 0.00 1.34 0.00 0.00 72.50 71.63 1yth s THR 96 CO 0.31 -0.57 0.40 -0.76 -0.54 0.00 0.00 174.62 173.46 1yth s LEU 97 N -3.08 4.33 0.01 4.79 1.43 -1.26 -5.09 118.68 119.82 1yth s LEU 97 Ca 0.18 0.77 0.03 0.00 -1.03 0.00 0.00 54.13 54.08 1yth s LEU 97 Cb -0.01 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 1yth s LEU 97 CO 0.05 0.14 -0.08 0.20 0.23 0.00 0.00 176.35 176.88 1yth s ASN 98 N 0.03 0.94 0.00 2.29 0.01 -1.26 -5.29 114.94 111.65 1yth s ASN 98 Ca 0.22 -0.29 0.00 0.00 -0.71 0.00 0.00 52.86 52.09 1yth s ASN 98 Cb -0.15 -0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.45 1yth s ASN 98 CO 0.09 -0.00 0.00 2.22 -1.51 0.00 0.00 177.10 177.90