#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mt9 s GLN 2 N 0.00 3.34 -0.16 -0.52 0.74 -1.26 -5.10 119.66 116.70 1mt9 s GLN 2 Ca 0.00 -0.68 -0.00 0.00 0.05 0.00 0.00 55.36 54.73 1mt9 s GLN 2 Cb 0.00 -2.76 -0.00 0.00 1.10 0.00 0.00 33.01 31.35 1mt9 s GLN 2 CO 0.00 0.03 -0.13 0.42 -0.55 0.00 0.00 175.29 175.05 1mt9 s ILE 3 N 0.84 2.79 0.62 -2.34 1.09 -1.26 -5.11 121.20 117.83 1mt9 s ILE 3 Ca -0.03 -0.72 -0.06 0.00 -1.10 0.00 0.00 60.65 58.74 1mt9 s ILE 3 Cb -0.15 -2.19 0.02 0.00 -1.06 0.00 0.00 42.46 39.08 1mt9 s ILE 3 CO 0.00 0.50 0.93 0.42 -0.10 0.00 0.00 174.94 176.69 1mt9 s THR 4 N 0.90 3.32 -0.28 2.92 -4.23 -1.26 -5.03 115.64 111.98 1mt9 s THR 4 Ca -0.03 -0.06 0.09 0.00 -1.18 0.00 0.00 61.69 60.51 1mt9 s THR 4 Cb -0.15 -3.34 0.50 0.00 1.34 0.00 0.00 72.50 70.85 1mt9 s THR 4 CO -0.01 -0.35 1.45 0.18 -0.54 0.00 0.00 174.62 175.34 1mt9 n LEU 5 N -2.66 4.03 0.26 4.79 4.77 -1.26 -4.54 117.00 122.39 1mt9 n LEU 5 Ca 0.05 -3.73 0.15 0.00 -0.03 0.00 0.00 56.01 52.46 1mt9 n LEU 5 Cb 0.58 -0.62 0.56 0.00 -2.33 0.00 0.00 43.42 41.61 1mt9 n LEU 5 CO 0.52 1.23 0.93 -0.50 -1.33 0.00 0.00 177.39 178.24 1mt9 h TRP 6 N 1.04 0.00 -3.23 -1.77 4.06 -2.06 -3.44 115.95 110.55 1mt9 h TRP 6 Ca 0.20 0.00 -0.38 0.00 2.06 0.00 0.00 58.89 60.77 1mt9 h TRP 6 Cb 1.61 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.63 1mt9 h TRP 6 CO 0.98 0.04 -0.68 0.15 -3.56 0.00 0.00 178.44 175.37 1mt9 s LYS 7 N -3.58 1.27 0.31 0.49 3.01 -1.26 -5.11 119.74 114.87 1mt9 s LYS 7 Ca 0.02 -1.61 -0.30 0.00 -1.01 0.00 0.00 55.97 53.08 1mt9 s LYS 7 Cb 0.08 -0.71 -0.11 0.00 -1.01 0.00 0.00 37.83 36.08 1mt9 s LYS 7 CO 0.58 -0.01 1.57 1.03 0.51 0.00 0.00 175.35 179.03 1mt9 s ARG 8 N -3.79 4.12 -1.27 1.68 0.52 -1.26 -4.86 118.95 114.09 1mt9 s ARG 8 Ca 0.24 2.57 -0.17 0.00 -0.52 0.00 0.00 55.73 57.85 1mt9 s ARG 8 Cb 0.04 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.49 1mt9 s ARG 8 CO 0.06 -0.61 2.03 -0.35 0.02 0.00 0.00 175.30 176.45 1mt9 n PRO 9 N 1.86 2.59 -3.18 3.54 -0.04 -1.26 -4.95 135.00 133.56 1mt9 n PRO 9 Ca 0.07 -2.63 -0.34 0.00 -0.04 0.00 0.00 63.50 60.56 1mt9 n PRO 9 Cb 0.38 -3.31 -0.06 0.00 -0.04 0.00 0.00 33.50 30.47 1mt9 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mt9 s LEU 10 N 3.26 4.19 0.17 1.53 1.43 -1.26 -1.22 118.68 126.78 1mt9 s LEU 10 Ca 0.52 1.26 -0.08 0.00 -1.03 0.00 0.00 54.13 54.80 1mt9 s LEU 10 Cb 0.10 -3.80 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 1mt9 s LEU 10 CO 0.01 -0.09 0.28 0.68 0.23 0.00 0.00 176.35 177.46 1mt9 s VAL 11 N -1.77 0.06 -0.10 -1.59 -7.23 0.39 -4.96 120.40 105.21 1mt9 s VAL 11 Ca 0.48 -1.45 -0.09 0.00 -1.81 0.00 0.00 61.98 59.11 1mt9 s VAL 11 Cb -0.13 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 1mt9 s VAL 11 CO 0.19 -0.27 0.21 -0.89 -0.31 0.00 0.00 175.10 174.03 1mt9 s THR 12 N -3.99 5.39 0.14 5.32 2.01 -1.26 -0.83 115.64 122.42 1mt9 s THR 12 Ca 0.19 0.37 0.04 0.00 0.31 0.00 0.00 61.69 62.60 1mt9 s THR 12 Cb 0.03 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1mt9 s THR 12 CO 0.01 0.60 -0.10 0.27 -0.69 0.00 0.00 174.62 174.71 1mt9 s ILE 13 N -0.94 1.14 -0.12 1.82 -4.36 0.00 -2.15 121.20 116.60 1mt9 s ILE 13 Ca 0.17 -1.96 0.02 0.00 -0.26 0.00 0.00 60.65 58.61 1mt9 s ILE 13 Cb -0.13 -1.74 0.01 0.00 1.25 0.00 0.00 42.46 41.85 1mt9 s ILE 13 CO 0.06 -0.69 -0.18 -0.60 0.24 0.00 0.00 174.94 173.77 1mt9 s ARG 14 N -3.51 2.57 -0.02 0.37 3.52 -0.14 -1.34 118.95 120.41 1mt9 s ARG 14 Ca 0.14 -0.69 -0.02 0.00 -0.13 0.00 0.00 55.73 55.03 1mt9 s ARG 14 Cb 0.01 -2.13 0.01 0.00 -1.56 0.00 0.00 34.95 31.28 1mt9 s ARG 14 CO 0.01 -0.04 0.06 -1.50 -0.81 0.00 0.00 175.30 173.02 1mt9 s ILE 15 N 0.90 -0.01 -1.54 4.11 2.07 0.02 -1.85 121.20 124.91 1mt9 s ILE 15 Ca -0.07 0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.20 1mt9 s ILE 15 Cb -0.15 -0.10 0.00 0.00 0.13 0.00 0.00 42.46 42.34 1mt9 s ILE 15 CO -0.02 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 1mt9 n GLY 16 N 3.21 -0.00 2.69 1.50 0.00 -1.26 -0.66 105.19 110.66 1mt9 n GLY 16 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1mt9 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mt9 n GLY 17 N -0.78 0.78 3.51 -0.02 0.00 -1.26 -5.02 105.19 102.40 1mt9 n GLY 17 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 1mt9 n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mt9 s GLN 18 N -0.07 1.86 -0.03 1.61 -2.07 0.17 -5.12 119.66 116.00 1mt9 s GLN 18 Ca 0.00 -1.23 -0.13 0.00 -1.82 0.00 0.00 55.36 52.19 1mt9 s GLN 18 Cb 0.00 -2.11 -0.05 0.00 -1.09 0.00 0.00 33.01 29.75 1mt9 s GLN 18 CO 0.00 0.46 0.33 -0.51 -1.32 0.00 0.00 175.29 174.25 1mt9 s LEU 19 N -2.39 4.45 0.16 2.60 1.43 -1.26 -0.80 118.68 122.87 1mt9 s LEU 19 Ca 0.20 0.82 -0.10 0.00 -1.03 0.00 0.00 54.13 54.03 1mt9 s LEU 19 Cb -0.10 -2.44 -0.00 0.00 0.03 0.00 0.00 46.19 43.68 1mt9 s LEU 19 CO 0.12 0.35 0.31 -0.54 0.23 0.00 0.00 176.35 176.82 1mt9 s LYS 20 N -1.06 1.17 -0.12 1.70 1.02 -0.45 -5.00 119.74 117.01 1mt9 s LYS 20 Ca 0.21 -1.12 -0.03 0.00 0.02 0.00 0.00 55.97 55.05 1mt9 s LYS 20 Cb -0.15 0.39 -0.03 0.00 -0.52 0.00 0.00 37.83 37.52 1mt9 s LYS 20 CO 0.11 -0.44 -0.02 -2.00 -0.92 0.00 0.00 175.35 172.08 1mt9 s GLU 21 N -3.95 3.32 0.05 1.68 2.12 -1.26 -0.82 118.70 119.85 1mt9 s GLU 21 Ca 0.16 -0.46 -0.02 0.00 0.36 0.00 0.00 54.97 55.00 1mt9 s GLU 21 Cb 0.03 -2.86 -0.03 0.00 0.26 0.00 0.00 34.13 31.53 1mt9 s GLU 21 CO -0.01 0.47 0.01 0.00 -0.54 0.00 0.00 175.26 175.19 1mt9 s ALA 22 N -0.26 0.35 -0.20 6.30 0.00 -0.01 -4.59 121.76 123.36 1mt9 s ALA 22 Ca 0.05 -1.04 -0.10 0.00 0.00 0.00 0.00 51.96 50.88 1mt9 s ALA 22 Cb -0.12 0.28 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 1mt9 s ALA 22 CO 0.02 -0.37 0.13 -1.17 0.00 0.00 0.00 175.76 174.37 1mt9 s LEU 23 N -2.73 4.17 -0.35 0.00 2.96 0.08 -0.46 118.68 122.35 1mt9 s LEU 23 Ca 0.04 0.21 -0.29 0.00 -0.22 0.00 0.00 54.13 53.87 1mt9 s LEU 23 Cb 0.05 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.66 1mt9 s LEU 23 CO -0.09 0.17 1.43 -0.76 -1.32 0.00 0.00 176.35 175.78 1mt9 s LEU 24 N 0.40 3.71 -0.35 -0.68 1.43 -0.36 -0.88 118.68 121.94 1mt9 s LEU 24 Ca 0.08 1.07 0.02 0.00 -1.03 0.00 0.00 54.13 54.27 1mt9 s LEU 24 Cb -0.11 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.67 1mt9 s LEU 24 CO -0.01 -1.32 0.08 0.21 0.23 0.00 0.00 176.35 175.54 1mt9 s ASN 25 N 3.75 4.87 0.00 2.29 3.84 -0.45 -4.80 114.94 124.44 1mt9 s ASN 25 Ca 0.62 -2.10 0.20 0.00 0.21 0.00 0.00 52.86 51.79 1mt9 s ASN 25 Cb -0.16 -1.67 0.94 0.00 -0.55 0.00 0.00 41.25 39.80 1mt9 s ASN 25 CO 0.29 -0.41 1.64 0.35 -2.79 0.00 0.00 177.10 176.18 1mt9 n THR 26 N 4.33 0.51 0.46 -5.21 -2.24 -1.26 -2.57 114.28 108.30 1mt9 n THR 26 Ca 0.02 0.13 0.10 0.00 -2.27 0.00 0.00 64.05 62.03 1mt9 n THR 26 Cb 0.42 -0.79 0.26 0.00 -2.10 0.00 0.00 70.33 68.12 1mt9 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mt9 n GLY 27 N 0.50 1.36 3.23 3.38 0.00 -1.26 -4.86 105.19 107.53 1mt9 n GLY 27 Ca 0.07 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 1mt9 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mt9 s ALA 28 N -1.42 2.16 0.14 4.61 0.00 -1.06 -5.01 121.76 121.18 1mt9 s ALA 28 Ca 0.36 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 1mt9 s ALA 28 Cb 0.20 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1mt9 s ALA 28 CO 0.27 0.31 1.44 -0.44 0.00 0.00 0.00 175.76 177.35 1mt9 h ASP 29 N 6.58 0.93 -1.23 0.00 3.32 -1.89 0.29 116.42 124.42 1mt9 h ASP 29 Ca -0.22 -0.48 -0.60 0.00 0.02 0.00 0.00 57.03 55.76 1mt9 h ASP 29 Cb 1.23 -0.27 -0.09 0.00 0.22 0.00 0.00 39.33 40.42 1mt9 h ASP 29 CO 0.47 1.26 -0.48 -1.81 -1.72 0.00 0.00 179.24 176.96 1mt9 s ASP 30 N -6.92 4.34 -0.24 6.45 1.01 -1.26 -2.44 116.67 117.61 1mt9 s ASP 30 Ca -0.10 -1.24 -0.10 0.00 0.71 0.00 0.00 52.55 51.83 1mt9 s ASP 30 Cb 0.11 -0.16 -0.04 0.00 1.01 0.00 0.00 42.92 43.83 1mt9 s ASP 30 CO 0.88 -0.67 0.13 -0.89 0.21 0.00 0.00 175.17 174.83 1mt9 s THR 31 N -2.69 5.04 -0.10 -1.27 2.01 -1.26 -2.77 115.64 114.61 1mt9 s THR 31 Ca 0.33 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.42 1mt9 s THR 31 Cb 0.03 -3.36 0.02 0.00 0.01 0.00 0.00 72.50 69.21 1mt9 s THR 31 CO 0.19 0.34 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.65 1mt9 s VAL 32 N 1.26 1.19 0.19 3.82 1.01 -0.72 -0.64 120.40 126.51 1mt9 s VAL 32 Ca 0.06 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.69 1mt9 s VAL 32 Cb -0.14 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1mt9 s VAL 32 CO 0.05 0.38 -0.11 -0.76 0.00 0.00 0.00 175.10 174.67 1mt9 s LEU 33 N 1.17 2.91 0.81 3.92 1.43 0.77 -0.81 118.68 128.89 1mt9 s LEU 33 Ca -0.04 -0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 52.33 1mt9 s LEU 33 Cb -0.14 -1.59 0.08 0.00 0.03 0.00 0.00 46.19 44.57 1mt9 s LEU 33 CO -0.03 0.10 1.09 -1.83 0.23 0.00 0.00 176.35 175.91 1mt9 s GLU 34 N -2.85 1.91 0.02 1.70 -1.05 -1.26 -1.66 118.70 115.52 1mt9 s GLU 34 Ca 0.25 1.05 -0.36 0.00 -0.15 0.00 0.00 54.97 55.75 1mt9 s GLU 34 Cb -0.09 -1.87 -0.18 0.00 -0.44 0.00 0.00 34.13 31.55 1mt9 s GLU 34 CO 0.15 -1.85 0.95 0.39 0.95 0.00 0.00 175.26 175.85 1mt9 n GLU 35 N -3.65 0.00 -3.58 -4.83 -0.58 -1.08 -4.55 120.64 102.38 1mt9 n GLU 35 Ca 0.08 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.77 1mt9 n GLU 35 Cb 0.54 -1.35 -0.02 0.00 -0.57 0.00 0.00 31.44 30.03 1mt9 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1mt9 s MET 36 N -0.09 0.44 0.01 3.49 0.23 -1.26 -5.01 119.30 117.11 1mt9 s MET 36 Ca 0.82 -0.17 -0.16 0.00 -1.03 0.00 0.00 55.69 55.15 1mt9 s MET 36 Cb -1.15 0.20 -0.06 0.00 -1.53 0.00 0.00 34.83 32.29 1mt9 s MET 36 CO 0.53 -0.20 0.46 -0.80 -2.03 0.00 0.00 175.02 172.99 1mt9 s ASN 37 N -2.30 6.88 0.00 -1.18 0.02 -1.26 -5.03 114.94 112.07 1mt9 s ASN 37 Ca 0.09 1.04 0.01 0.00 -1.02 0.00 0.00 52.86 52.97 1mt9 s ASN 37 Cb -0.01 -2.29 -0.00 0.00 0.02 0.00 0.00 41.25 38.97 1mt9 s ASN 37 CO -0.06 0.28 -0.02 -0.76 0.02 0.00 0.00 177.10 176.56 1mt9 s LEU 38 N -0.91 2.03 0.71 0.60 1.43 -1.26 -5.01 118.68 116.26 1mt9 s LEU 38 Ca 0.26 -0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 53.14 1mt9 s LEU 38 Cb -0.17 -0.09 0.03 0.00 0.03 0.00 0.00 46.19 45.98 1mt9 s LEU 38 CO 0.15 -0.00 1.11 -2.84 0.23 0.00 0.00 176.35 175.00 1mt9 s PRO 39 N -0.18 2.49 0.00 1.29 0.02 -1.26 -4.90 135.00 132.46 1mt9 s PRO 39 Ca -0.01 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.37 1mt9 s PRO 39 Cb -0.02 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.59 1mt9 s PRO 39 CO -0.00 -1.49 0.00 0.41 -0.33 0.00 0.00 177.00 175.59 1mt9 n GLY 40 N -0.63 1.36 3.85 0.52 0.00 -1.26 -5.01 105.19 104.02 1mt9 n GLY 40 Ca 0.10 -2.01 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 1mt9 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mt9 s LYS 41 N -1.98 3.91 0.04 1.61 3.01 -1.26 -5.09 119.74 119.98 1mt9 s LYS 41 Ca 0.00 0.72 0.02 0.00 -1.01 0.00 0.00 55.97 55.69 1mt9 s LYS 41 Cb 0.00 -2.30 -0.02 0.00 -1.01 0.00 0.00 37.83 34.50 1mt9 s LYS 41 CO 0.00 -0.08 -0.06 1.67 0.51 0.00 0.00 175.35 177.39 1mt9 s TRP 42 N -2.37 0.58 0.01 3.18 1.48 -1.26 -4.63 118.94 115.94 1mt9 s TRP 42 Ca 0.55 -0.55 0.07 0.00 -1.06 0.00 0.00 56.10 55.11 1mt9 s TRP 42 Cb -0.10 -0.36 -0.03 0.00 -1.16 0.00 0.00 33.47 31.82 1mt9 s TRP 42 CO 0.27 -0.12 -0.22 0.15 -4.06 0.00 0.00 176.95 172.97 1mt9 s LYS 43 N -1.77 2.07 0.30 3.25 -0.14 -1.00 -4.87 119.74 117.59 1mt9 s LYS 43 Ca -0.09 -0.96 -0.29 0.00 -1.36 0.00 0.00 55.97 53.26 1mt9 s LYS 43 Cb -0.08 -2.13 -0.10 0.00 -1.68 0.00 0.00 37.83 33.84 1mt9 s LYS 43 CO -0.01 0.55 1.21 -2.14 -0.76 0.00 0.00 175.35 174.21 1mt9 s PRO 44 N -1.08 4.49 0.12 -1.68 0.02 -1.26 -0.85 135.00 134.75 1mt9 s PRO 44 Ca 0.12 2.02 -0.10 0.00 0.02 0.00 0.00 61.00 63.06 1mt9 s PRO 44 Cb -0.10 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.29 1mt9 s PRO 44 CO 0.02 -0.01 0.27 0.15 -0.33 0.00 0.00 177.00 177.11 1mt9 s LYS 45 N -1.58 1.01 -0.02 5.54 1.02 -0.27 -4.90 119.74 120.55 1mt9 s LYS 45 Ca 0.47 -0.98 0.06 0.00 0.02 0.00 0.00 55.97 55.55 1mt9 s LYS 45 Cb -0.36 0.38 -0.02 0.00 -0.52 0.00 0.00 37.83 37.32 1mt9 s LYS 45 CO 0.47 -0.36 -0.21 -1.64 -0.92 0.00 0.00 175.35 172.69 1mt9 s MET 46 N -3.89 1.70 0.12 1.68 -1.94 -1.26 0.00 119.30 115.71 1mt9 s MET 46 Ca 0.09 -0.74 0.04 0.00 -1.71 0.00 0.00 55.69 53.37 1mt9 s MET 46 Cb 0.04 -1.63 -0.04 0.00 2.01 0.00 0.00 34.83 35.20 1mt9 s MET 46 CO -0.07 0.44 -0.11 0.96 -0.01 0.00 0.00 175.02 176.23 1mt9 s ILE 47 N -0.47 1.10 0.11 2.53 -4.36 -0.83 -4.98 121.20 114.30 1mt9 s ILE 47 Ca 0.08 -1.83 0.06 0.00 -0.26 0.00 0.00 60.65 58.69 1mt9 s ILE 47 Cb -0.08 -1.60 -0.04 0.00 1.25 0.00 0.00 42.46 41.99 1mt9 s ILE 47 CO -0.01 -0.62 -0.04 -0.83 0.24 0.00 0.00 174.94 173.69 1mt9 s GLY 48 N -2.75 1.84 0.00 6.27 0.00 -1.26 -1.54 107.32 109.87 1mt9 s GLY 48 Ca 0.11 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.62 1mt9 s GLY 48 CO 0.01 -1.19 0.00 0.61 0.00 0.00 0.00 173.10 172.52 1mt9 n GLY 49 N 0.49 4.09 0.27 0.20 0.00 0.13 -4.98 105.19 105.39 1mt9 n GLY 49 Ca -0.11 -1.77 0.05 0.00 0.00 0.00 0.00 46.02 44.19 1mt9 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1mt9 h ILE 50 N 0.98 1.09 -0.20 -0.61 6.09 -2.01 -2.97 117.51 119.88 1mt9 h ILE 50 Ca 0.00 -0.28 0.00 0.00 -1.37 0.00 0.00 64.86 63.21 1mt9 h ILE 50 Cb 0.00 0.85 0.00 0.00 0.47 0.00 0.00 36.82 38.14 1mt9 h ILE 50 CO 0.00 0.11 0.00 0.61 -3.07 0.00 0.00 178.15 175.80 1mt9 n GLY 51 N -1.34 1.11 0.00 8.18 0.00 -1.26 -5.09 105.19 106.79 1mt9 n GLY 51 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1mt9 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mt9 n GLY 52 N 0.97 0.94 3.72 -0.02 0.00 -1.13 -5.11 105.19 104.56 1mt9 n GLY 52 Ca 0.12 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 1mt9 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mt9 s PHE 53 N -2.69 3.03 0.10 1.61 0.40 -1.26 0.22 117.98 119.39 1mt9 s PHE 53 Ca 0.00 -0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.32 1mt9 s PHE 53 Cb 0.00 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.96 1mt9 s PHE 53 CO 0.00 0.50 -0.04 0.96 0.70 0.00 0.00 175.22 177.34 1mt9 s ILE 54 N -1.46 0.57 -0.12 0.64 -4.36 -0.59 -4.99 121.20 110.90 1mt9 s ILE 54 Ca 0.27 -1.92 -0.10 0.00 -0.26 0.00 0.00 60.65 58.65 1mt9 s ILE 54 Cb -0.11 -1.74 -0.05 0.00 1.25 0.00 0.00 42.46 41.81 1mt9 s ILE 54 CO 0.20 -0.81 0.21 -1.59 0.24 0.00 0.00 174.94 173.19 1mt9 s LYS 55 N -3.87 3.80 0.24 0.37 0.00 -1.26 -1.97 119.74 117.05 1mt9 s LYS 55 Ca 0.14 -0.02 0.01 0.00 0.00 0.00 0.00 55.97 56.10 1mt9 s LYS 55 Cb 0.06 -3.28 -0.05 0.00 0.00 0.00 0.00 37.83 34.56 1mt9 s LYS 55 CO -0.04 0.58 0.09 0.14 0.00 0.00 0.00 175.35 176.13 1mt9 s VAL 56 N -0.53 0.46 -0.17 1.79 -7.23 0.10 -4.50 120.40 110.33 1mt9 s VAL 56 Ca 0.15 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.27 1mt9 s VAL 56 Cb -0.13 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 1mt9 s VAL 56 CO 0.04 -0.05 0.02 -0.13 -0.31 0.00 0.00 175.10 174.67 1mt9 s ARG 57 N -4.05 3.84 -0.24 4.82 0.52 0.26 -1.11 118.95 122.99 1mt9 s ARG 57 Ca 0.36 -0.42 -0.10 0.00 -0.52 0.00 0.00 55.73 55.06 1mt9 s ARG 57 Cb 0.08 -3.08 -0.05 0.00 0.52 0.00 0.00 34.95 32.42 1mt9 s ARG 57 CO 0.12 0.25 0.13 -1.14 0.02 0.00 0.00 175.30 174.69 1mt9 s GLN 58 N 0.38 3.97 -0.13 3.54 0.74 -0.03 -1.13 119.66 127.00 1mt9 s GLN 58 Ca -0.00 -0.32 -0.01 0.00 0.05 0.00 0.00 55.36 55.08 1mt9 s GLN 58 Cb -0.13 -3.47 -0.02 0.00 1.10 0.00 0.00 33.01 30.49 1mt9 s GLN 58 CO 0.01 0.02 -0.12 0.71 -0.55 0.00 0.00 175.29 175.37 1mt9 s TYR 59 N 1.13 2.84 0.20 1.67 1.51 -0.40 -2.37 117.35 121.94 1mt9 s TYR 59 Ca 0.06 -0.62 0.05 0.00 -1.01 0.00 0.00 57.07 55.55 1mt9 s TYR 59 Cb -0.14 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.81 1mt9 s TYR 59 CO 0.05 -0.21 0.22 -0.51 -1.11 0.00 0.00 175.55 173.99 1mt9 s ASP 60 N 0.39 5.82 -1.45 2.29 1.01 -1.26 -0.91 116.67 122.55 1mt9 s ASP 60 Ca -0.10 -0.08 -0.07 0.00 0.71 0.00 0.00 52.55 53.01 1mt9 s ASP 60 Cb -0.16 -1.59 0.05 0.00 1.01 0.00 0.00 42.92 42.23 1mt9 s ASP 60 CO 0.05 0.01 0.78 0.00 0.21 0.00 0.00 175.17 176.21 1mt9 n GLN 61 N -0.84 -4.75 -3.51 8.23 1.13 -1.18 -4.91 117.38 111.56 1mt9 n GLN 61 Ca -0.08 0.55 -0.37 0.00 -1.94 0.00 0.00 57.00 55.17 1mt9 n GLN 61 Cb 0.56 -5.19 -0.07 0.00 0.11 0.00 0.00 30.24 25.65 1mt9 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1mt9 s ILE 62 N -3.54 5.29 0.02 5.09 1.01 0.35 -4.68 121.20 124.74 1mt9 s ILE 62 Ca 0.33 0.55 -0.30 0.00 0.00 0.00 0.00 60.65 61.23 1mt9 s ILE 62 Cb -0.17 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 1mt9 s ILE 62 CO 0.84 0.36 1.20 -2.84 0.00 0.00 0.00 174.94 174.50 1mt9 s PRO 63 N 0.68 4.41 -0.05 2.79 0.02 -1.26 -1.57 135.00 140.02 1mt9 s PRO 63 Ca 0.16 1.73 0.01 0.00 0.02 0.00 0.00 61.00 62.92 1mt9 s PRO 63 Cb -0.13 -3.42 0.02 0.00 0.02 0.00 0.00 34.50 30.99 1mt9 s PRO 63 CO 0.05 -0.31 -0.03 0.08 -0.33 0.00 0.00 177.00 176.45 1mt9 s VAL 64 N 1.42 0.47 -0.26 3.83 1.01 0.12 -4.50 120.40 122.49 1mt9 s VAL 64 Ca 0.58 -0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.40 1mt9 s VAL 64 Cb -0.28 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 1mt9 s VAL 64 CO 0.27 0.22 0.16 -0.70 0.00 0.00 0.00 175.10 175.05 1mt9 s GLU 65 N 1.09 3.92 -0.32 2.72 2.12 -0.77 -1.33 118.70 126.12 1mt9 s GLU 65 Ca -0.08 -0.34 0.00 0.00 0.36 0.00 0.00 54.97 54.91 1mt9 s GLU 65 Cb -0.14 -3.56 0.07 0.00 0.26 0.00 0.00 34.13 30.76 1mt9 s GLU 65 CO -0.01 -0.12 0.03 0.42 -0.54 0.00 0.00 175.26 175.04 1mt9 s ILE 66 N 1.55 2.75 -1.44 -3.70 1.01 0.70 -0.96 121.20 121.11 1mt9 s ILE 66 Ca 0.07 -1.76 -0.08 0.00 0.00 0.00 0.00 60.65 58.87 1mt9 s ILE 66 Cb -0.15 -2.74 0.05 0.00 0.01 0.00 0.00 42.46 39.63 1mt9 s ILE 66 CO 0.08 -0.31 0.88 0.00 0.00 0.00 0.00 174.94 175.60 1mt9 n GLY 68 N -1.67 2.15 3.76 0.00 0.00 -1.26 -5.02 105.19 103.15 1mt9 n GLY 68 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1mt9 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mt9 s HIS 69 N -2.89 3.49 0.15 1.61 4.02 -0.11 -5.08 115.29 116.48 1mt9 s HIS 69 Ca 0.00 0.55 -0.23 0.00 1.02 0.00 0.00 55.06 56.40 1mt9 s HIS 69 Cb 0.00 -2.24 -0.08 0.00 -1.02 0.00 0.00 32.58 29.24 1mt9 s HIS 69 CO 0.00 0.34 0.73 -1.59 1.02 0.00 0.00 174.74 175.24 1mt9 s LYS 70 N 0.14 4.45 0.00 1.40 0.00 -1.26 -0.21 119.74 124.26 1mt9 s LYS 70 Ca 0.15 1.04 -0.12 0.00 0.00 0.00 0.00 55.97 57.04 1mt9 s LYS 70 Cb -0.13 -3.21 0.01 0.00 0.00 0.00 0.00 37.83 34.51 1mt9 s LYS 70 CO 0.03 0.57 0.24 0.00 0.00 0.00 0.00 175.35 176.19 1mt9 s ALA 71 N -1.19 -0.58 -0.12 0.59 0.00 -0.44 -4.71 121.76 115.30 1mt9 s ALA 71 Ca 0.35 0.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.35 1mt9 s ALA 71 Cb -0.22 0.14 0.05 0.00 0.00 0.00 0.00 23.12 23.10 1mt9 s ALA 71 CO 0.24 -0.28 0.07 0.42 0.00 0.00 0.00 175.76 176.21 1mt9 s ILE 72 N -1.66 0.03 0.00 0.00 1.01 -1.26 0.12 121.20 119.44 1mt9 s ILE 72 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.53 1mt9 s ILE 72 Cb -0.05 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 41.92 1mt9 s ILE 72 CO 0.02 -0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.48 1mt9 n GLY 73 N 5.24 1.70 3.72 6.18 0.00 -0.61 -4.79 105.19 116.64 1mt9 n GLY 73 Ca -0.06 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 1mt9 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mt9 s THR 74 N -2.57 4.06 -0.07 2.61 2.01 -1.26 -0.50 115.64 119.92 1mt9 s THR 74 Ca 0.00 1.62 0.02 0.00 0.31 0.00 0.00 61.69 63.63 1mt9 s THR 74 Cb 0.00 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.49 1mt9 s THR 74 CO 0.00 0.20 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.33 1mt9 s VAL 75 N 0.41 1.11 -0.12 3.82 1.01 -0.09 -4.48 120.40 122.06 1mt9 s VAL 75 Ca 0.53 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 62.02 1mt9 s VAL 75 Cb -0.28 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1mt9 s VAL 75 CO 0.32 0.36 0.10 -0.76 0.00 0.00 0.00 175.10 175.11 1mt9 s LEU 76 N 0.87 4.12 -0.08 3.92 1.43 0.19 -1.27 118.68 127.86 1mt9 s LEU 76 Ca -0.11 0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.37 1mt9 s LEU 76 Cb -0.15 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.08 1mt9 s LEU 76 CO 0.01 0.38 -0.18 -0.69 0.23 0.00 0.00 176.35 176.10 1mt9 s VAL 77 N -0.84 1.59 -0.00 -1.59 1.01 -0.28 -0.16 120.40 120.13 1mt9 s VAL 77 Ca 0.13 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 1mt9 s VAL 77 Cb -0.12 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1mt9 s VAL 77 CO 0.03 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1mt9 n GLY 78 N 3.67 0.55 2.44 4.51 0.00 -0.66 -0.58 105.19 115.13 1mt9 n GLY 78 Ca -0.21 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 1mt9 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mt9 n PRO 79 N -0.00 2.83 -3.27 1.61 -0.04 -1.26 -2.62 135.00 132.24 1mt9 n PRO 79 Ca 0.00 -1.77 -0.35 0.00 -0.04 0.00 0.00 63.50 61.33 1mt9 n PRO 79 Cb 0.00 -2.59 -0.06 0.00 -0.04 0.00 0.00 33.50 30.82 1mt9 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1mt9 s THR 80 N 2.72 4.76 -0.64 0.52 -1.32 -1.26 -4.96 115.64 115.45 1mt9 s THR 80 Ca 0.54 0.97 0.21 0.00 -1.21 0.00 0.00 61.69 62.20 1mt9 s THR 80 Cb 0.15 -3.76 0.22 0.00 -1.51 0.00 0.00 72.50 67.59 1mt9 s THR 80 CO -0.04 0.20 1.65 -0.81 -2.21 0.00 0.00 174.62 173.41 1mt9 n PRO 81 N 0.69 0.14 -3.60 7.08 -0.04 -1.26 -4.70 135.00 133.31 1mt9 n PRO 81 Ca -0.04 0.36 -0.16 0.00 -0.04 0.00 0.00 63.50 63.62 1mt9 n PRO 81 Cb 0.52 -1.76 -0.07 0.00 -0.04 0.00 0.00 33.50 32.15 1mt9 n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mt9 s ALA 82 N -3.21 -1.42 -0.04 0.55 0.00 -1.26 -5.09 121.76 111.28 1mt9 s ALA 82 Ca 0.05 0.97 -0.30 0.00 0.00 0.00 0.00 51.96 52.68 1mt9 s ALA 82 Cb 0.10 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 1mt9 s ALA 82 CO 0.37 -0.33 1.25 -0.80 0.00 0.00 0.00 175.76 176.25 1mt9 s ASN 83 N -1.24 7.00 -0.02 0.00 0.01 -1.26 -4.72 114.94 114.71 1mt9 s ASN 83 Ca -0.12 1.90 0.04 0.00 -0.71 0.00 0.00 52.86 53.97 1mt9 s ASN 83 Cb -0.02 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 39.07 1mt9 s ASN 83 CO 0.08 -0.62 -0.14 0.27 -1.51 0.00 0.00 177.10 175.18 1mt9 s ILE 84 N 2.24 1.12 -0.39 0.60 -4.36 0.01 -0.75 121.20 119.67 1mt9 s ILE 84 Ca 0.58 -0.59 -0.14 0.00 -0.26 0.00 0.00 60.65 60.24 1mt9 s ILE 84 Cb -0.26 -0.94 0.02 0.00 1.25 0.00 0.00 42.46 42.52 1mt9 s ILE 84 CO 0.23 0.32 0.27 -0.63 0.24 0.00 0.00 174.94 175.37 1mt9 s ILE 85 N -0.22 5.10 0.55 8.37 -1.09 -0.06 -1.75 121.20 132.10 1mt9 s ILE 85 Ca 0.03 -0.66 -0.06 0.00 -2.23 0.00 0.00 60.65 57.74 1mt9 s ILE 85 Cb -0.07 -3.82 0.12 0.00 -1.58 0.00 0.00 42.46 37.12 1mt9 s ILE 85 CO -0.00 -0.26 0.75 0.61 -1.23 0.00 0.00 174.94 174.81 1mt9 n GLY 86 N 5.12 -0.39 0.26 6.18 0.00 -1.11 -1.34 105.19 113.90 1mt9 n GLY 86 Ca -0.11 -1.84 0.09 0.00 0.00 0.00 0.00 46.02 44.16 1mt9 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mt9 h ARG 87 N 0.00 0.00 -0.45 1.61 3.08 -0.92 -1.49 114.38 116.21 1mt9 h ARG 87 Ca -0.24 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.82 1mt9 h ARG 87 Cb 0.77 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 1mt9 h ARG 87 CO 0.21 0.05 0.30 -2.95 -1.07 0.00 0.00 179.97 176.51 1mt9 h ASN 88 N 0.00 0.49 0.09 7.04 -0.00 -1.74 -2.03 115.58 119.43 1mt9 h ASN 88 Ca -0.00 -0.01 -0.29 0.00 -0.00 0.00 0.00 56.30 56.00 1mt9 h ASN 88 Cb 0.09 -0.12 -0.05 0.00 -0.00 0.00 0.00 38.32 38.24 1mt9 h ASN 88 CO 0.01 0.35 -2.20 0.18 -0.00 0.00 0.00 177.43 175.77 1mt9 n LEU 89 N -4.47 0.14 -0.07 6.14 4.77 -1.01 -4.17 117.00 118.33 1mt9 n LEU 89 Ca 0.04 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1mt9 n LEU 89 Cb 0.08 0.36 0.29 0.00 -2.33 0.00 0.00 43.42 41.82 1mt9 n LEU 89 CO 0.35 0.38 1.06 -0.07 -1.33 0.00 0.00 177.39 177.78 1mt9 h LEU 90 N 0.00 0.62 -1.04 2.23 3.38 -1.09 -1.67 115.31 117.74 1mt9 h LEU 90 Ca -0.41 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.40 1mt9 h LEU 90 Cb 1.97 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 1mt9 h LEU 90 CO 0.03 0.57 -0.38 0.71 0.09 0.00 0.00 178.44 179.46 1mt9 h THR 91 N 0.68 1.29 -0.20 0.22 1.35 -1.56 -1.48 112.91 113.22 1mt9 h THR 91 Ca 0.17 -1.41 -0.08 0.00 -0.55 0.00 0.00 66.41 64.53 1mt9 h THR 91 Cb 0.14 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 1mt9 h THR 91 CO -0.02 0.42 -0.24 1.56 -0.25 0.00 0.00 175.52 176.99 1mt9 h GLN 92 N 0.16 0.37 -0.39 4.72 4.20 -1.47 -2.44 115.11 120.26 1mt9 h GLN 92 Ca 0.02 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1mt9 h GLN 92 Cb 0.75 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1mt9 h GLN 92 CO 0.06 0.59 0.00 0.44 -0.67 0.00 0.00 178.83 179.25 1mt9 n ILE 93 N -4.14 0.52 -2.31 2.54 -6.64 -1.09 -4.94 119.36 103.29 1mt9 n ILE 93 Ca -0.01 -0.58 -0.10 0.00 -1.77 0.00 0.00 62.75 60.29 1mt9 n ILE 93 Cb 0.38 0.41 0.00 0.00 -1.44 0.00 0.00 39.64 38.99 1mt9 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1mt9 n GLY 94 N 1.26 -0.00 3.74 3.28 0.00 -0.92 -5.01 105.19 107.54 1mt9 n GLY 94 Ca 0.16 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1mt9 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mt9 s THR 96 N -0.68 0.67 -0.13 0.00 -4.23 -1.26 -4.73 115.64 105.28 1mt9 s THR 96 Ca 0.45 -1.95 -0.06 0.00 -1.18 0.00 0.00 61.69 58.95 1mt9 s THR 96 Cb -0.28 -1.83 -0.04 0.00 1.34 0.00 0.00 72.50 71.69 1mt9 s THR 96 CO 0.35 -0.74 0.10 -0.76 -0.54 0.00 0.00 174.62 173.02 1mt9 s LEU 97 N -3.08 4.12 0.00 4.79 1.43 -1.26 -5.10 118.68 119.58 1mt9 s LEU 97 Ca 0.16 0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.59 1mt9 s LEU 97 Cb 0.06 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1mt9 s LEU 97 CO -0.02 0.35 -0.02 0.20 0.23 0.00 0.00 176.35 177.08 1mt9 s ASN 98 N -0.65 0.26 0.00 2.29 0.01 -1.26 -5.29 114.94 110.30 1mt9 s ASN 98 Ca 0.12 -0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.14 1mt9 s ASN 98 Cb -0.12 -0.00 0.00 0.00 0.41 0.00 0.00 41.25 41.54 1mt9 s ASN 98 CO 0.02 -0.04 0.00 2.22 -1.51 0.00 0.00 177.10 177.80