#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mt8 s GLN 2 N 0.00 4.11 -0.19 0.54 0.74 -1.26 -5.06 119.66 118.54 1mt8 s GLN 2 Ca 0.00 0.04 -0.03 0.00 0.05 0.00 0.00 55.36 55.42 1mt8 s GLN 2 Cb 0.00 -3.57 -0.01 0.00 1.10 0.00 0.00 33.01 30.53 1mt8 s GLN 2 CO 0.00 -0.07 -0.07 0.42 -0.55 0.00 0.00 175.29 175.02 1mt8 s ILE 3 N 1.43 3.28 0.70 -2.34 1.01 -1.26 -5.11 121.20 118.91 1mt8 s ILE 3 Ca 0.15 -0.54 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 1mt8 s ILE 3 Cb -0.15 -2.46 0.03 0.00 0.01 0.00 0.00 42.46 39.90 1mt8 s ILE 3 CO 0.08 0.46 1.05 0.42 0.00 0.00 0.00 174.94 176.95 1mt8 s THR 4 N 1.07 3.02 -0.21 2.92 -4.23 -1.26 -5.02 115.64 111.93 1mt8 s THR 4 Ca 0.01 0.14 0.15 0.00 -1.18 0.00 0.00 61.69 60.80 1mt8 s THR 4 Cb -0.15 -3.29 0.49 0.00 1.34 0.00 0.00 72.50 70.89 1mt8 s THR 4 CO -0.01 -0.36 1.40 0.18 -0.54 0.00 0.00 174.62 175.29 1mt8 n LEU 5 N -2.95 3.74 0.24 4.79 4.77 -1.26 -4.60 117.00 121.72 1mt8 n LEU 5 Ca 0.07 -3.27 0.09 0.00 -0.03 0.00 0.00 56.01 52.86 1mt8 n LEU 5 Cb 0.59 -0.56 0.60 0.00 -2.33 0.00 0.00 43.42 41.72 1mt8 n LEU 5 CO 0.55 0.86 0.92 -0.50 -1.33 0.00 0.00 177.39 177.90 1mt8 h TRP 6 N 1.29 0.00 -3.72 -1.77 4.06 -2.06 -3.44 115.95 110.32 1mt8 h TRP 6 Ca 0.07 0.00 -0.38 0.00 2.06 0.00 0.00 58.89 60.64 1mt8 h TRP 6 Cb 1.45 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.47 1mt8 h TRP 6 CO 0.59 0.17 -0.60 0.15 -3.56 0.00 0.00 178.44 175.20 1mt8 s LYS 7 N -4.37 1.49 0.23 0.49 1.02 -1.26 -5.11 119.74 112.23 1mt8 s LYS 7 Ca -0.03 -1.83 -0.31 0.00 0.02 0.00 0.00 55.97 53.83 1mt8 s LYS 7 Cb 0.14 -0.27 -0.10 0.00 -0.52 0.00 0.00 37.83 37.08 1mt8 s LYS 7 CO 0.64 -0.34 1.53 1.03 -0.92 0.00 0.00 175.35 177.29 1mt8 s ARG 8 N -3.96 4.21 -1.02 1.68 0.52 -1.26 -4.87 118.95 114.25 1mt8 s ARG 8 Ca 0.37 2.40 -0.20 0.00 -0.52 0.00 0.00 55.73 57.78 1mt8 s ARG 8 Cb 0.07 -3.10 -0.09 0.00 0.52 0.00 0.00 34.95 32.35 1mt8 s ARG 8 CO 0.15 -0.54 2.00 -0.35 0.02 0.00 0.00 175.30 176.58 1mt8 n PRO 9 N 2.85 1.96 -3.07 3.54 -0.04 -1.26 -4.94 135.00 134.04 1mt8 n PRO 9 Ca 0.10 -2.17 -0.40 0.00 -0.04 0.00 0.00 63.50 60.99 1mt8 n PRO 9 Cb 0.39 -3.12 -0.05 0.00 -0.04 0.00 0.00 33.50 30.68 1mt8 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mt8 s LEU 10 N 2.46 4.36 0.26 1.53 1.43 -1.26 -1.71 118.68 125.75 1mt8 s LEU 10 Ca 0.55 1.22 0.02 0.00 -1.03 0.00 0.00 54.13 54.90 1mt8 s LEU 10 Cb 0.12 -3.08 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 1mt8 s LEU 10 CO 0.06 -0.05 0.06 0.68 0.23 0.00 0.00 176.35 177.33 1mt8 s VAL 11 N 0.47 0.78 -0.07 -1.59 -7.23 -0.27 -4.94 120.40 107.55 1mt8 s VAL 11 Ca 0.36 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.38 1mt8 s VAL 11 Cb -0.18 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.13 1mt8 s VAL 11 CO 0.19 -0.09 0.38 -0.89 -0.31 0.00 0.00 175.10 174.38 1mt8 s THR 12 N -3.59 5.15 0.10 5.32 2.01 -1.26 -0.66 115.64 122.71 1mt8 s THR 12 Ca 0.35 0.77 0.07 0.00 0.31 0.00 0.00 61.69 63.18 1mt8 s THR 12 Cb 0.08 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1mt8 s THR 12 CO 0.12 0.48 -0.17 0.27 -0.69 0.00 0.00 174.62 174.63 1mt8 s ILE 13 N -0.31 1.42 -0.30 1.82 -4.36 0.25 -2.08 121.20 117.63 1mt8 s ILE 13 Ca 0.22 -1.51 -0.03 0.00 -0.26 0.00 0.00 60.65 59.06 1mt8 s ILE 13 Cb -0.15 -1.39 0.04 0.00 1.25 0.00 0.00 42.46 42.21 1mt8 s ILE 13 CO 0.10 -0.21 0.02 -0.60 0.24 0.00 0.00 174.94 174.49 1mt8 s ARG 14 N -2.06 2.57 -0.13 0.37 3.52 0.78 -1.75 118.95 122.24 1mt8 s ARG 14 Ca 0.04 -1.18 0.02 0.00 -0.13 0.00 0.00 55.73 54.48 1mt8 s ARG 14 Cb -0.09 -3.24 0.01 0.00 -1.56 0.00 0.00 34.95 30.08 1mt8 s ARG 14 CO 0.03 -0.59 -0.18 0.42 -0.81 0.00 0.00 175.30 174.17 1mt8 s ILE 15 N 1.31 1.76 -1.05 4.11 -1.09 -0.63 -1.37 121.20 124.25 1mt8 s ILE 15 Ca -0.03 -0.79 -0.11 0.00 -2.23 0.00 0.00 60.65 57.49 1mt8 s ILE 15 Cb -0.19 -1.59 0.10 0.00 -1.58 0.00 0.00 42.46 39.20 1mt8 s ILE 15 CO -0.00 0.49 0.35 0.61 -1.23 0.00 0.00 174.94 175.16 1mt8 n GLY 16 N 4.29 -0.46 0.92 6.18 0.00 -1.26 -0.87 105.19 114.00 1mt8 n GLY 16 Ca -0.19 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1mt8 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mt8 n GLY 17 N -0.90 3.12 3.84 -0.02 0.00 -1.26 -5.04 105.19 104.94 1mt8 n GLY 17 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1mt8 n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mt8 s GLN 18 N -0.37 3.93 -0.14 1.61 0.00 -0.04 -5.08 119.66 119.57 1mt8 s GLN 18 Ca 0.00 0.41 -0.03 0.00 -0.00 0.00 0.00 55.36 55.74 1mt8 s GLN 18 Cb 0.00 -3.07 -0.03 0.00 0.00 0.00 0.00 33.01 29.91 1mt8 s GLN 18 CO 0.00 0.58 -0.03 -0.51 0.00 0.00 0.00 175.29 175.33 1mt8 s LEU 19 N -1.58 3.29 0.20 2.60 1.43 -1.26 -1.60 118.68 121.75 1mt8 s LEU 19 Ca 0.31 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 1mt8 s LEU 19 Cb -0.16 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1mt8 s LEU 19 CO 0.17 0.21 0.12 -0.54 0.23 0.00 0.00 176.35 176.54 1mt8 s LYS 20 N 0.09 1.20 -0.16 1.70 3.01 -0.72 -4.97 119.74 119.90 1mt8 s LYS 20 Ca -0.00 -1.63 -0.10 0.00 -1.01 0.00 0.00 55.97 53.23 1mt8 s LYS 20 Cb -0.13 0.18 -0.05 0.00 -1.01 0.00 0.00 37.83 36.82 1mt8 s LYS 20 CO 0.03 -0.36 0.17 -1.21 0.51 0.00 0.00 175.35 174.49 1mt8 s GLU 21 N -4.13 3.96 0.07 1.68 2.02 -1.26 -0.59 118.70 120.45 1mt8 s GLU 21 Ca 0.37 -0.11 0.05 0.00 0.02 0.00 0.00 54.97 55.31 1mt8 s GLU 21 Cb 0.07 -3.34 -0.03 0.00 0.10 0.00 0.00 34.13 30.93 1mt8 s GLU 21 CO 0.11 0.46 -0.14 0.00 0.02 0.00 0.00 175.26 175.71 1mt8 s ALA 22 N -0.12 1.16 -0.17 5.21 0.00 0.17 -4.46 121.76 123.56 1mt8 s ALA 22 Ca 0.12 -0.98 -0.20 0.00 0.00 0.00 0.00 51.96 50.90 1mt8 s ALA 22 Cb -0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1mt8 s ALA 22 CO 0.02 0.17 0.59 -1.17 0.00 0.00 0.00 175.76 175.36 1mt8 s LEU 23 N -1.70 4.19 -0.50 0.00 2.96 0.30 -1.12 118.68 122.81 1mt8 s LEU 23 Ca -0.02 0.85 -0.28 0.00 -0.22 0.00 0.00 54.13 54.46 1mt8 s LEU 23 Cb -0.10 -2.85 0.02 0.00 0.50 0.00 0.00 46.19 43.76 1mt8 s LEU 23 CO 0.02 -0.18 1.37 -0.76 -1.32 0.00 0.00 176.35 175.47 1mt8 s LEU 24 N 1.47 3.49 -0.40 -0.68 1.02 -0.69 -1.23 118.68 121.66 1mt8 s LEU 24 Ca 0.29 0.48 0.02 0.00 0.02 0.00 0.00 54.13 54.93 1mt8 s LEU 24 Cb -0.16 -3.29 0.11 0.00 0.02 0.00 0.00 46.19 42.88 1mt8 s LEU 24 CO 0.11 -1.55 0.14 0.21 0.02 0.00 0.00 176.35 175.28 1mt8 s ASN 25 N 3.94 4.83 0.31 2.29 3.04 -0.96 -4.78 114.94 123.60 1mt8 s ASN 25 Ca 0.54 -2.31 0.25 0.00 0.04 0.00 0.00 52.86 51.38 1mt8 s ASN 25 Cb -0.11 -1.69 1.09 0.00 -1.54 0.00 0.00 41.25 39.01 1mt8 s ASN 25 CO 0.28 -0.39 1.75 0.71 -3.04 0.00 0.00 177.10 176.41 1mt8 h THR 26 N 6.30 0.00 -0.37 -5.21 1.35 -1.93 -2.03 112.91 111.02 1mt8 h THR 26 Ca -0.06 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1mt8 h THR 26 Cb 1.00 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1mt8 h THR 26 CO 0.60 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 1mt8 n GLY 27 N -0.26 1.36 3.25 5.82 0.00 -1.26 -4.82 105.19 109.27 1mt8 n GLY 27 Ca 0.01 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 1mt8 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mt8 s ALA 28 N -1.63 2.15 0.08 4.61 0.00 -0.76 -5.01 121.76 121.20 1mt8 s ALA 28 Ca 0.28 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.13 1mt8 s ALA 28 Cb 0.17 -0.72 -0.24 0.00 0.00 0.00 0.00 23.12 22.33 1mt8 s ALA 28 CO 0.15 0.37 1.16 -0.44 0.00 0.00 0.00 175.76 177.00 1mt8 h ASP 29 N 6.31 0.67 -1.20 0.00 3.32 -1.87 -0.87 116.42 122.77 1mt8 h ASP 29 Ca -0.27 -0.62 -0.61 0.00 0.02 0.00 0.00 57.03 55.55 1mt8 h ASP 29 Cb 1.20 -0.21 -0.10 0.00 0.22 0.00 0.00 39.33 40.44 1mt8 h ASP 29 CO 0.47 1.45 -0.50 -1.81 -1.72 0.00 0.00 179.24 177.13 1mt8 s ASP 30 N -7.28 4.26 -0.24 6.45 1.01 -1.26 -2.90 116.67 116.71 1mt8 s ASP 30 Ca -0.07 -1.30 -0.08 0.00 0.71 0.00 0.00 52.55 51.81 1mt8 s ASP 30 Cb 0.07 -0.12 -0.04 0.00 1.01 0.00 0.00 42.92 43.84 1mt8 s ASP 30 CO 0.90 -0.66 0.09 -0.89 0.21 0.00 0.00 175.17 174.82 1mt8 s THR 31 N -2.71 4.61 -0.14 -1.27 2.01 -1.26 -2.53 115.64 114.36 1mt8 s THR 31 Ca 0.31 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.26 1mt8 s THR 31 Cb 0.04 -3.14 0.01 0.00 0.01 0.00 0.00 72.50 69.42 1mt8 s THR 31 CO 0.17 0.36 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.56 1mt8 s VAL 32 N 1.29 1.99 0.16 3.82 1.01 0.11 -1.05 120.40 127.73 1mt8 s VAL 32 Ca 0.05 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.19 1mt8 s VAL 32 Cb -0.15 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1mt8 s VAL 32 CO 0.04 0.54 -0.15 -0.76 0.00 0.00 0.00 175.10 174.77 1mt8 s LEU 33 N 0.89 2.80 0.80 3.92 1.43 0.45 0.91 118.68 129.87 1mt8 s LEU 33 Ca -0.06 -0.62 -0.14 0.00 -1.03 0.00 0.00 54.13 52.28 1mt8 s LEU 33 Cb -0.15 -1.54 0.06 0.00 0.03 0.00 0.00 46.19 44.58 1mt8 s LEU 33 CO -0.03 0.13 1.04 -0.62 0.23 0.00 0.00 176.35 177.10 1mt8 n GLU 34 N 0.30 0.22 -1.59 1.70 1.02 -1.26 -2.36 120.64 118.67 1mt8 n GLU 34 Ca -0.12 0.14 -0.52 0.00 -0.02 0.00 0.00 57.16 56.64 1mt8 n GLU 34 Cb 0.55 -2.30 -0.06 0.00 -0.02 0.00 0.00 31.44 29.60 1mt8 n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1mt8 n GLU 35 N -2.68 1.12 -3.48 3.49 4.07 -1.15 -4.63 120.64 117.37 1mt8 n GLU 35 Ca 0.13 0.40 -0.16 0.00 -0.06 0.00 0.00 57.16 57.47 1mt8 n GLU 35 Cb 0.50 -2.03 -0.05 0.00 -0.06 0.00 0.00 31.44 29.81 1mt8 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1mt8 s MET 36 N 0.40 1.14 -0.86 5.31 0.23 -1.26 -5.04 119.30 119.21 1mt8 s MET 36 Ca 0.84 -0.01 -0.16 0.00 -1.03 0.00 0.00 55.69 55.32 1mt8 s MET 36 Cb -0.95 0.53 0.18 0.00 -1.53 0.00 0.00 34.83 33.06 1mt8 s MET 36 CO 0.47 -0.42 0.92 -0.80 -2.03 0.00 0.00 175.02 173.16 1mt8 s ASN 37 N -1.77 6.68 0.26 -1.18 0.01 -1.26 -5.03 114.94 112.65 1mt8 s ASN 37 Ca -0.07 -2.37 -0.08 0.00 -0.71 0.00 0.00 52.86 49.63 1mt8 s ASN 37 Cb -0.00 -2.29 -0.07 0.00 0.41 0.00 0.00 41.25 39.30 1mt8 s ASN 37 CO 0.01 -0.80 0.57 -0.76 -1.51 0.00 0.00 177.10 174.61 1mt8 s LEU 38 N 1.32 4.11 0.39 0.60 1.43 -1.26 -5.08 118.68 120.19 1mt8 s LEU 38 Ca 0.24 0.89 -0.14 0.00 -1.03 0.00 0.00 54.13 54.08 1mt8 s LEU 38 Cb -0.08 -3.67 -0.08 0.00 0.03 0.00 0.00 46.19 42.38 1mt8 s LEU 38 CO -0.09 -0.13 0.80 -2.16 0.23 0.00 0.00 176.35 175.01 1mt8 s PRO 39 N -3.08 3.95 0.00 1.29 0.04 -1.26 -4.97 135.00 130.97 1mt8 s PRO 39 Ca 0.47 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1mt8 s PRO 39 Cb -0.11 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1mt8 s PRO 39 CO 0.24 0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.71 1mt8 n GLY 40 N -0.84 2.14 3.85 0.56 0.00 -1.26 -5.05 105.19 104.59 1mt8 n GLY 40 Ca 0.04 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 1mt8 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mt8 s LYS 41 N -2.01 3.71 -0.14 1.61 3.01 -1.26 -5.08 119.74 119.58 1mt8 s LYS 41 Ca 0.00 0.90 -0.16 0.00 -1.01 0.00 0.00 55.97 55.70 1mt8 s LYS 41 Cb 0.00 -2.10 0.04 0.00 -1.01 0.00 0.00 37.83 34.76 1mt8 s LYS 41 CO 0.00 -0.47 0.43 1.67 0.51 0.00 0.00 175.35 177.49 1mt8 s TRP 42 N -2.84 -0.45 -0.09 3.18 1.48 -1.26 -4.66 118.94 114.30 1mt8 s TRP 42 Ca 0.58 1.04 -0.03 0.00 -1.06 0.00 0.00 56.10 56.63 1mt8 s TRP 42 Cb -0.11 0.17 -0.03 0.00 -1.16 0.00 0.00 33.47 32.33 1mt8 s TRP 42 CO 0.42 -0.27 0.02 0.15 -4.06 0.00 0.00 176.95 173.20 1mt8 s LYS 43 N -0.06 3.08 0.26 3.25 -0.14 -1.08 -4.83 119.74 120.22 1mt8 s LYS 43 Ca -0.02 -0.37 -0.30 0.00 -1.36 0.00 0.00 55.97 53.91 1mt8 s LYS 43 Cb -0.03 -2.86 -0.10 0.00 -1.68 0.00 0.00 37.83 33.17 1mt8 s LYS 43 CO 0.02 0.69 1.35 -2.14 -0.76 0.00 0.00 175.35 174.51 1mt8 s PRO 44 N -0.83 4.34 0.04 -1.68 0.02 -1.26 -1.57 135.00 134.05 1mt8 s PRO 44 Ca 0.13 2.19 -0.03 0.00 0.02 0.00 0.00 61.00 63.31 1mt8 s PRO 44 Cb -0.11 -3.13 -0.02 0.00 0.02 0.00 0.00 34.50 31.25 1mt8 s PRO 44 CO 0.02 -0.29 0.02 0.21 -0.33 0.00 0.00 177.00 176.64 1mt8 s LYS 45 N -0.73 0.56 -0.14 5.54 2.20 -0.41 -4.93 119.74 121.83 1mt8 s LYS 45 Ca 0.55 -0.93 0.01 0.00 -0.36 0.00 0.00 55.97 55.25 1mt8 s LYS 45 Cb -0.39 0.20 -0.00 0.00 -1.51 0.00 0.00 37.83 36.13 1mt8 s LYS 45 CO 0.44 -0.12 -0.18 -1.64 -0.36 0.00 0.00 175.35 173.50 1mt8 s MET 46 N -2.98 3.19 0.06 4.03 -1.94 -1.26 -0.35 119.30 120.03 1mt8 s MET 46 Ca -0.02 -0.78 0.08 0.00 -1.71 0.00 0.00 55.69 53.26 1mt8 s MET 46 Cb 0.01 -2.53 -0.03 0.00 2.01 0.00 0.00 34.83 34.29 1mt8 s MET 46 CO -0.06 0.08 -0.22 0.96 -0.01 0.00 0.00 175.02 175.77 1mt8 s ILE 47 N 0.64 1.78 0.26 2.53 -4.36 -0.87 -4.97 121.20 116.22 1mt8 s ILE 47 Ca -0.09 -1.31 0.10 0.00 -0.26 0.00 0.00 60.65 59.09 1mt8 s ILE 47 Cb -0.16 -1.56 -0.05 0.00 1.25 0.00 0.00 42.46 41.95 1mt8 s ILE 47 CO 0.03 0.19 -0.07 -0.83 0.24 0.00 0.00 174.94 174.49 1mt8 s GLY 48 N -1.34 1.73 0.00 6.27 0.00 -1.26 -1.70 107.32 111.02 1mt8 s GLY 48 Ca 0.08 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.09 1mt8 s GLY 48 CO 0.02 -1.78 0.00 0.61 0.00 0.00 0.00 173.10 171.95 1mt8 n GLY 49 N -0.75 3.68 3.74 0.20 0.00 0.14 -4.99 105.19 107.21 1mt8 n GLY 49 Ca -0.06 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 1mt8 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mt8 s ILE 50 N -2.00 3.79 0.00 -0.61 1.01 -1.26 -2.81 121.20 119.32 1mt8 s ILE 50 Ca 0.00 1.54 0.00 0.00 0.00 0.00 0.00 60.65 62.19 1mt8 s ILE 50 Cb 0.00 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.49 1mt8 s ILE 50 CO 0.00 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.81 1mt8 n GLY 51 N 2.07 3.11 0.00 6.18 0.00 -1.26 -4.95 105.19 110.34 1mt8 n GLY 51 Ca 0.03 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1mt8 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mt8 n GLY 52 N 0.00 0.15 3.62 -0.02 0.00 -1.12 -5.13 105.19 102.68 1mt8 n GLY 52 Ca 0.00 -1.18 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 1mt8 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mt8 s PHE 53 N -4.00 2.65 -0.01 1.61 0.40 -1.26 -0.68 117.98 116.69 1mt8 s PHE 53 Ca 0.00 -0.23 -0.05 0.00 -0.60 0.00 0.00 56.93 56.05 1mt8 s PHE 53 Cb 0.00 -1.19 -0.00 0.00 0.51 0.00 0.00 43.02 42.34 1mt8 s PHE 53 CO 0.00 0.62 0.09 0.96 0.70 0.00 0.00 175.22 177.59 1mt8 s ILE 54 N -2.25 0.06 0.10 0.64 -4.36 -0.69 -4.98 121.20 109.71 1mt8 s ILE 54 Ca 0.30 -0.52 -0.21 0.00 -0.26 0.00 0.00 60.65 59.96 1mt8 s ILE 54 Cb -0.07 -0.31 -0.07 0.00 1.25 0.00 0.00 42.46 43.26 1mt8 s ILE 54 CO 0.19 -0.29 0.63 -0.75 0.24 0.00 0.00 174.94 174.96 1mt8 s LYS 55 N -0.95 4.31 0.27 0.37 2.20 -1.26 -2.04 119.74 122.63 1mt8 s LYS 55 Ca -0.10 0.86 0.02 0.00 -0.36 0.00 0.00 55.97 56.39 1mt8 s LYS 55 Cb -0.06 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 1mt8 s LYS 55 CO 0.01 0.61 0.16 0.14 -0.36 0.00 0.00 175.35 175.91 1mt8 s VAL 56 N -1.10 0.20 -0.10 4.02 -7.23 0.52 -4.54 120.40 112.17 1mt8 s VAL 56 Ca 0.31 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 1mt8 s VAL 56 Cb -0.21 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 1mt8 s VAL 56 CO 0.21 0.00 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.78 1mt8 s ARG 57 N -3.91 3.08 -0.21 4.82 0.52 0.52 -1.29 118.95 122.48 1mt8 s ARG 57 Ca 0.38 -0.60 -0.08 0.00 -0.52 0.00 0.00 55.73 54.91 1mt8 s ARG 57 Cb 0.06 -2.64 -0.04 0.00 0.52 0.00 0.00 34.95 32.85 1mt8 s ARG 57 CO 0.17 0.45 0.08 -1.14 0.02 0.00 0.00 175.30 174.87 1mt8 s GLN 58 N -0.23 3.89 -0.05 3.54 0.74 -0.61 -0.24 119.66 126.70 1mt8 s GLN 58 Ca 0.02 -0.37 0.06 0.00 0.05 0.00 0.00 55.36 55.12 1mt8 s GLN 58 Cb -0.13 -3.30 -0.02 0.00 1.10 0.00 0.00 33.01 30.66 1mt8 s GLN 58 CO 0.03 0.09 -0.21 0.71 -0.55 0.00 0.00 175.29 175.36 1mt8 s TYR 59 N 0.87 2.50 0.45 1.67 1.51 -0.27 -2.62 117.35 121.47 1mt8 s TYR 59 Ca 0.04 -0.46 0.08 0.00 -1.01 0.00 0.00 57.07 55.72 1mt8 s TYR 59 Cb -0.14 -1.59 0.00 0.00 -0.11 0.00 0.00 41.96 40.13 1mt8 s TYR 59 CO 0.03 -0.04 0.44 -0.51 -1.11 0.00 0.00 175.55 174.36 1mt8 s ASP 60 N -0.44 5.04 -1.71 2.29 1.01 -1.26 -0.16 116.67 121.44 1mt8 s ASP 60 Ca 0.05 -0.81 -0.14 0.00 0.71 0.00 0.00 52.55 52.36 1mt8 s ASP 60 Cb -0.12 -0.32 0.13 0.00 1.01 0.00 0.00 42.92 43.62 1mt8 s ASP 60 CO 0.01 -0.81 0.46 0.00 0.21 0.00 0.00 175.17 175.04 1mt8 n GLN 61 N -1.69 -1.58 -3.43 8.23 1.13 -1.20 -4.86 117.38 114.00 1mt8 n GLN 61 Ca 0.04 0.20 -0.38 0.00 -1.94 0.00 0.00 57.00 54.93 1mt8 n GLN 61 Cb 0.62 -4.47 -0.08 0.00 0.11 0.00 0.00 30.24 26.42 1mt8 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1mt8 s ILE 62 N -3.65 5.22 0.09 5.09 -1.09 -0.30 -4.75 121.20 121.81 1mt8 s ILE 62 Ca 0.50 0.64 -0.31 0.00 -2.23 0.00 0.00 60.65 59.25 1mt8 s ILE 62 Cb -0.29 -3.70 -0.06 0.00 -1.58 0.00 0.00 42.46 36.83 1mt8 s ILE 62 CO 0.98 0.27 1.26 -2.84 -1.23 0.00 0.00 174.94 173.38 1mt8 s PRO 63 N 1.24 4.40 -0.04 2.79 0.02 -1.26 -2.11 135.00 140.04 1mt8 s PRO 63 Ca 0.18 1.87 -0.03 0.00 0.02 0.00 0.00 61.00 63.04 1mt8 s PRO 63 Cb -0.14 -3.31 0.02 0.00 0.02 0.00 0.00 34.50 31.09 1mt8 s PRO 63 CO 0.07 -0.30 0.11 0.08 -0.33 0.00 0.00 177.00 176.63 1mt8 s VAL 64 N 1.00 -0.02 -0.20 3.83 1.01 0.31 -4.27 120.40 122.07 1mt8 s VAL 64 Ca 0.60 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 1mt8 s VAL 64 Cb -0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 1mt8 s VAL 64 CO 0.30 0.03 -0.06 -0.70 0.00 0.00 0.00 175.10 174.67 1mt8 s GLU 65 N 0.45 3.41 -0.33 2.72 2.12 -0.47 -1.13 118.70 125.47 1mt8 s GLU 65 Ca -0.03 -0.63 -0.05 0.00 0.36 0.00 0.00 54.97 54.62 1mt8 s GLU 65 Cb -0.05 -2.92 0.04 0.00 0.26 0.00 0.00 34.13 31.46 1mt8 s GLU 65 CO -0.02 -0.07 0.08 0.42 -0.54 0.00 0.00 175.26 175.13 1mt8 s ILE 66 N 1.14 3.61 -1.39 -3.70 1.01 -0.15 -0.16 121.20 121.57 1mt8 s ILE 66 Ca 0.02 -1.18 -0.16 0.00 0.00 0.00 0.00 60.65 59.32 1mt8 s ILE 66 Cb -0.14 -3.05 0.02 0.00 0.01 0.00 0.00 42.46 39.30 1mt8 s ILE 66 CO -0.01 -0.16 0.34 0.00 0.00 0.00 0.00 174.94 175.11 1mt8 n GLY 68 N -2.32 0.90 3.32 0.00 0.00 -1.26 -5.01 105.19 100.82 1mt8 n GLY 68 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1mt8 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mt8 s HIS 69 N -3.62 3.05 0.13 1.61 4.02 0.59 -5.08 115.29 115.99 1mt8 s HIS 69 Ca 0.00 -0.97 -0.30 0.00 1.02 0.00 0.00 55.06 54.81 1mt8 s HIS 69 Cb 0.00 -2.16 -0.07 0.00 -1.02 0.00 0.00 32.58 29.33 1mt8 s HIS 69 CO 0.00 -0.56 1.13 -1.59 1.02 0.00 0.00 174.74 174.74 1mt8 s LYS 70 N 1.48 4.53 0.07 1.40 0.00 -1.26 -0.97 119.74 124.98 1mt8 s LYS 70 Ca 0.04 1.73 -0.11 0.00 0.00 0.00 0.00 55.97 57.63 1mt8 s LYS 70 Cb -0.16 -3.31 0.01 0.00 0.00 0.00 0.00 37.83 34.38 1mt8 s LYS 70 CO -0.01 -0.05 0.24 0.00 0.00 0.00 0.00 175.35 175.53 1mt8 s ALA 71 N 0.26 -0.44 -0.08 0.59 0.00 -0.28 -4.86 121.76 116.95 1mt8 s ALA 71 Ca 0.53 -0.32 -0.05 0.00 0.00 0.00 0.00 51.96 52.12 1mt8 s ALA 71 Cb -0.29 0.41 0.03 0.00 0.00 0.00 0.00 23.12 23.27 1mt8 s ALA 71 CO 0.33 -0.46 0.19 -1.50 0.00 0.00 0.00 175.76 174.32 1mt8 s ILE 72 N -3.17 -0.03 -0.04 0.00 2.07 -1.26 -0.53 121.20 118.24 1mt8 s ILE 72 Ca -0.00 0.11 0.00 0.00 -1.41 0.00 0.00 60.65 59.34 1mt8 s ILE 72 Cb 0.02 -0.30 0.00 0.00 0.13 0.00 0.00 42.46 42.31 1mt8 s ILE 72 CO -0.07 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.61 1mt8 n GLY 73 N 3.78 -0.80 3.77 1.50 0.00 -0.90 -4.85 105.19 107.69 1mt8 n GLY 73 Ca -0.21 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 1mt8 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mt8 s THR 74 N -3.00 3.30 -0.05 2.61 2.01 -1.26 -1.14 115.64 118.10 1mt8 s THR 74 Ca 0.00 1.17 -0.01 0.00 0.31 0.00 0.00 61.69 63.16 1mt8 s THR 74 Cb 0.00 -3.69 0.03 0.00 0.01 0.00 0.00 72.50 68.84 1mt8 s THR 74 CO 0.00 0.18 0.03 -0.69 -0.69 0.00 0.00 174.62 173.45 1mt8 s VAL 75 N -1.33 0.11 -0.08 3.82 1.01 0.77 -4.57 120.40 120.13 1mt8 s VAL 75 Ca 0.52 0.25 -0.14 0.00 0.00 0.00 0.00 61.98 62.60 1mt8 s VAL 75 Cb -0.31 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 1mt8 s VAL 75 CO 0.40 0.19 0.36 -0.76 0.00 0.00 0.00 175.10 175.28 1mt8 s LEU 76 N 1.79 4.37 -0.16 3.92 1.43 -0.22 -1.12 118.68 128.71 1mt8 s LEU 76 Ca 0.01 0.75 0.02 0.00 -1.03 0.00 0.00 54.13 53.88 1mt8 s LEU 76 Cb -0.12 -2.48 0.01 0.00 0.03 0.00 0.00 46.19 43.63 1mt8 s LEU 76 CO -0.03 0.22 -0.21 -0.69 0.23 0.00 0.00 176.35 175.87 1mt8 s VAL 77 N -0.36 2.01 0.26 -1.59 1.01 0.67 -0.41 120.40 122.00 1mt8 s VAL 77 Ca 0.21 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 1mt8 s VAL 77 Cb -0.15 -1.80 0.05 0.00 0.00 0.00 0.00 36.38 34.48 1mt8 s VAL 77 CO 0.09 0.54 0.74 0.61 0.00 0.00 0.00 175.10 177.07 1mt8 n GLY 78 N 4.33 0.98 2.69 4.51 0.00 -1.00 -0.35 105.19 116.35 1mt8 n GLY 78 Ca -0.20 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 1mt8 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mt8 n PRO 79 N -0.51 2.48 -3.48 1.61 -0.04 -1.26 -2.92 135.00 130.89 1mt8 n PRO 79 Ca -0.05 -1.97 -0.36 0.00 -0.04 0.00 0.00 63.50 61.08 1mt8 n PRO 79 Cb 0.49 -2.83 -0.06 0.00 -0.04 0.00 0.00 33.50 31.06 1mt8 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1mt8 s THR 80 N 3.47 4.99 0.27 0.52 -1.32 -1.26 -4.99 115.64 117.33 1mt8 s THR 80 Ca 0.52 0.71 -0.04 0.00 -1.21 0.00 0.00 61.69 61.68 1mt8 s THR 80 Cb 0.14 -3.70 0.24 0.00 -1.51 0.00 0.00 72.50 67.67 1mt8 s THR 80 CO -0.01 0.38 1.93 1.55 -2.21 0.00 0.00 174.62 176.25 1mt8 h PRO 81 N 4.02 1.16 -4.86 7.08 0.13 -1.99 -3.44 132.00 134.10 1mt8 h PRO 81 Ca -0.50 -0.09 -0.29 0.00 -0.87 0.00 0.00 66.00 64.25 1mt8 h PRO 81 Cb 1.20 -0.25 -0.15 0.00 0.13 0.00 0.00 31.00 31.94 1mt8 h PRO 81 CO 0.65 0.80 -0.69 0.00 -0.23 0.00 0.00 178.00 178.53 1mt8 s ALA 82 N -5.90 1.33 -0.07 -0.56 0.00 -1.26 -5.03 121.76 110.27 1mt8 s ALA 82 Ca -0.12 -1.52 -0.30 0.00 0.00 0.00 0.00 51.96 50.02 1mt8 s ALA 82 Cb 0.18 0.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 1mt8 s ALA 82 CO 0.81 -0.23 1.04 -0.80 0.00 0.00 0.00 175.76 176.58 1mt8 s ASN 83 N -3.15 7.23 -0.12 0.00 0.01 -1.26 -4.58 114.94 113.06 1mt8 s ASN 83 Ca 0.19 1.62 0.02 0.00 -0.71 0.00 0.00 52.86 53.98 1mt8 s ASN 83 Cb 0.05 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.16 1mt8 s ASN 83 CO 0.01 -0.44 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.36 1mt8 s ILE 84 N 1.83 1.72 -0.47 0.60 1.01 0.26 -0.54 121.20 125.61 1mt8 s ILE 84 Ca 0.51 -0.77 -0.17 0.00 0.00 0.00 0.00 60.65 60.22 1mt8 s ILE 84 Cb -0.20 -1.55 0.05 0.00 0.01 0.00 0.00 42.46 40.77 1mt8 s ILE 84 CO 0.21 0.48 0.47 -0.63 0.00 0.00 0.00 174.94 175.48 1mt8 s ILE 85 N 0.96 5.09 0.85 2.92 -1.09 -0.37 0.05 121.20 129.61 1mt8 s ILE 85 Ca -0.06 -0.70 -0.10 0.00 -2.23 0.00 0.00 60.65 57.57 1mt8 s ILE 85 Cb -0.15 -4.15 0.19 0.00 -1.58 0.00 0.00 42.46 36.76 1mt8 s ILE 85 CO -0.02 -0.60 1.15 0.61 -1.23 0.00 0.00 174.94 174.85 1mt8 n GLY 86 N 5.17 -0.63 0.29 6.18 0.00 -1.05 -2.27 105.19 112.88 1mt8 n GLY 86 Ca -0.09 -1.84 0.12 0.00 0.00 0.00 0.00 46.02 44.21 1mt8 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mt8 h ARG 87 N 0.00 0.00 -0.57 1.61 3.08 -1.20 -2.30 114.38 115.01 1mt8 h ARG 87 Ca -0.38 0.00 0.11 0.00 0.07 0.00 0.00 59.98 59.78 1mt8 h ARG 87 Cb 1.16 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 1mt8 h ARG 87 CO 0.31 0.00 0.38 -2.95 -1.07 0.00 0.00 179.97 176.65 1mt8 h ASN 88 N 0.00 0.28 0.10 7.04 -1.07 -1.80 -1.61 115.58 118.52 1mt8 h ASN 88 Ca 0.05 0.01 -0.29 0.00 0.07 0.00 0.00 56.30 56.14 1mt8 h ASN 88 Cb 0.21 -0.05 -0.05 0.00 -2.07 0.00 0.00 38.32 36.36 1mt8 h ASN 88 CO -0.00 0.17 -2.19 0.18 0.07 0.00 0.00 177.43 175.66 1mt8 n LEU 89 N -4.46 0.15 0.13 6.14 4.77 -0.91 -4.35 117.00 118.47 1mt8 n LEU 89 Ca 0.09 0.07 -0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1mt8 n LEU 89 Cb 0.41 0.36 0.27 0.00 -2.33 0.00 0.00 43.42 42.13 1mt8 n LEU 89 CO 0.34 0.39 0.66 -0.07 -1.33 0.00 0.00 177.39 177.38 1mt8 h LEU 90 N 0.00 0.13 -1.26 2.23 3.38 -0.96 -1.93 115.31 116.90 1mt8 h LEU 90 Ca -0.41 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1mt8 h LEU 90 Cb 1.99 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.70 1mt8 h LEU 90 CO 0.03 0.54 0.00 0.71 0.09 0.00 0.00 178.44 179.81 1mt8 h THR 91 N 0.10 0.00 0.00 0.22 1.35 -1.51 -2.12 112.91 110.96 1mt8 h THR 91 Ca 0.01 -0.42 -0.14 0.00 -0.55 0.00 0.00 66.41 65.31 1mt8 h THR 91 Cb 0.78 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.52 1mt8 h THR 91 CO 0.06 0.00 -0.85 1.56 -0.25 0.00 0.00 175.52 176.04 1mt8 h GLN 92 N 0.00 0.00 -0.57 4.72 4.20 -1.55 -3.31 115.11 118.61 1mt8 h GLN 92 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1mt8 h GLN 92 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1mt8 h GLN 92 CO 0.00 0.51 0.00 0.44 -0.67 0.00 0.00 178.83 179.11 1mt8 n ILE 93 N -3.15 2.38 -1.27 2.54 -5.35 -1.11 -4.93 119.36 108.48 1mt8 n ILE 93 Ca -0.02 -1.38 -0.09 0.00 -0.27 0.00 0.00 62.75 60.99 1mt8 n ILE 93 Cb 0.80 -0.12 -0.04 0.00 -1.74 0.00 0.00 39.64 38.54 1mt8 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mt8 n GLY 94 N 0.68 1.07 3.70 3.28 0.00 -1.21 -4.98 105.19 107.73 1mt8 n GLY 94 Ca 0.26 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1mt8 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mt8 s THR 96 N 1.99 1.21 -0.10 0.00 -4.23 -1.26 -4.70 115.64 108.54 1mt8 s THR 96 Ca 0.64 -2.07 -0.03 0.00 -1.18 0.00 0.00 61.69 59.05 1mt8 s THR 96 Cb -0.33 -2.23 -0.03 0.00 1.34 0.00 0.00 72.50 71.24 1mt8 s THR 96 CO 0.28 -0.43 0.03 -0.76 -0.54 0.00 0.00 174.62 173.19 1mt8 s LEU 97 N -3.30 3.71 -0.00 4.79 1.43 -1.26 -5.10 118.68 118.95 1mt8 s LEU 97 Ca 0.26 0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 53.53 1mt8 s LEU 97 Cb 0.04 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.40 1mt8 s LEU 97 CO 0.07 0.36 0.01 0.20 0.23 0.00 0.00 176.35 177.22 1mt8 s ASN 98 N -0.75 0.01 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.07 1mt8 s ASN 98 Ca 0.12 0.01 0.00 0.00 -1.57 0.00 0.00 52.86 51.42 1mt8 s ASN 98 Cb -0.12 -0.01 0.00 0.00 -0.02 0.00 0.00 41.25 41.11 1mt8 s ASN 98 CO 0.02 -0.02 0.00 2.22 -2.57 0.00 0.00 177.10 176.75