#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mt7 s GLN 2 N 0.00 2.04 -0.23 -0.52 0.74 -1.26 -5.11 119.66 115.33 1mt7 s GLN 2 Ca 0.00 -0.48 -0.04 0.00 0.05 0.00 0.00 55.36 54.89 1mt7 s GLN 2 Cb 0.00 -1.85 -0.01 0.00 1.10 0.00 0.00 33.01 32.26 1mt7 s GLN 2 CO 0.00 -0.15 -0.04 0.42 -0.55 0.00 0.00 175.29 174.97 1mt7 s ILE 3 N 1.27 3.38 0.94 -2.34 1.01 -1.26 -5.11 121.20 119.09 1mt7 s ILE 3 Ca -0.01 -0.54 -0.15 0.00 0.00 0.00 0.00 60.65 59.96 1mt7 s ILE 3 Cb -0.14 -2.56 0.17 0.00 0.01 0.00 0.00 42.46 39.94 1mt7 s ILE 3 CO -0.05 0.39 1.22 0.42 0.00 0.00 0.00 174.94 176.91 1mt7 s THR 4 N 1.47 1.95 -0.17 2.92 -4.23 -1.26 -5.01 115.64 111.31 1mt7 s THR 4 Ca 0.05 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.73 1mt7 s THR 4 Cb -0.15 -2.87 0.43 0.00 1.34 0.00 0.00 72.50 71.25 1mt7 s THR 4 CO -0.03 0.00 1.31 0.18 -0.54 0.00 0.00 174.62 175.54 1mt7 n LEU 5 N -3.78 3.27 -0.16 4.79 4.77 -1.26 -4.63 117.00 119.99 1mt7 n LEU 5 Ca 0.11 -3.12 0.05 0.00 -0.03 0.00 0.00 56.01 53.02 1mt7 n LEU 5 Cb 0.60 -0.51 0.34 0.00 -2.33 0.00 0.00 43.42 41.52 1mt7 n LEU 5 CO 0.51 0.74 1.21 -0.50 -1.33 0.00 0.00 177.39 178.03 1mt7 h TRP 6 N 1.02 0.77 -3.04 -1.77 4.06 -2.06 -3.43 115.95 111.50 1mt7 h TRP 6 Ca 0.01 0.02 -0.45 0.00 2.06 0.00 0.00 58.89 60.53 1mt7 h TRP 6 Cb 1.27 -0.25 -0.14 0.00 -1.00 0.00 0.00 29.16 29.04 1mt7 h TRP 6 CO 0.34 0.43 -0.61 0.15 -3.56 0.00 0.00 178.44 175.20 1mt7 s LYS 7 N -5.69 1.61 0.19 0.49 -0.14 -1.26 -5.10 119.74 109.84 1mt7 s LYS 7 Ca -0.10 -1.89 -0.33 0.00 -1.36 0.00 0.00 55.97 52.29 1mt7 s LYS 7 Cb 0.19 -0.73 -0.13 0.00 -1.68 0.00 0.00 37.83 35.47 1mt7 s LYS 7 CO 0.77 -0.22 1.56 0.54 -0.76 0.00 0.00 175.35 177.24 1mt7 n ARG 8 N -0.64 2.22 -2.29 1.68 1.74 -1.26 -4.83 116.66 113.27 1mt7 n ARG 8 Ca -0.02 0.80 -0.36 0.00 -0.77 0.00 0.00 57.85 57.50 1mt7 n ARG 8 Cb 0.66 -2.55 -0.03 0.00 -1.02 0.00 0.00 32.46 29.52 1mt7 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1mt7 n PRO 9 N 3.11 2.40 -3.31 5.56 -0.04 -1.26 -4.95 135.00 136.51 1mt7 n PRO 9 Ca 0.15 -2.85 -0.38 0.00 -0.04 0.00 0.00 63.50 60.37 1mt7 n PRO 9 Cb 0.30 -3.60 -0.06 0.00 -0.04 0.00 0.00 33.50 30.11 1mt7 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mt7 s LEU 10 N 7.38 4.47 0.12 1.53 1.43 -1.26 -1.30 118.68 131.04 1mt7 s LEU 10 Ca 0.61 1.14 -0.01 0.00 -1.03 0.00 0.00 54.13 54.83 1mt7 s LEU 10 Cb 0.02 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 1mt7 s LEU 10 CO 0.10 0.22 0.05 0.68 0.23 0.00 0.00 176.35 177.63 1mt7 s VAL 11 N -0.74 0.12 0.01 -1.59 -7.23 0.67 -4.93 120.40 106.70 1mt7 s VAL 11 Ca 0.28 -1.88 -0.16 0.00 -1.81 0.00 0.00 61.98 58.41 1mt7 s VAL 11 Cb -0.18 -1.95 -0.06 0.00 0.56 0.00 0.00 36.38 34.75 1mt7 s VAL 11 CO 0.17 -0.55 0.45 -0.89 -0.31 0.00 0.00 175.10 173.96 1mt7 s THR 12 N -4.03 4.98 0.19 5.32 2.01 -1.26 -0.30 115.64 122.55 1mt7 s THR 12 Ca 0.21 0.92 0.05 0.00 0.31 0.00 0.00 61.69 63.19 1mt7 s THR 12 Cb 0.07 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 1mt7 s THR 12 CO -0.00 0.56 -0.09 0.27 -0.69 0.00 0.00 174.62 174.66 1mt7 s ILE 13 N -0.97 1.36 -0.12 1.82 -4.36 0.17 -1.86 121.20 117.24 1mt7 s ILE 13 Ca 0.25 -2.11 0.02 0.00 -0.26 0.00 0.00 60.65 58.55 1mt7 s ILE 13 Cb -0.17 -2.04 0.01 0.00 1.25 0.00 0.00 42.46 41.51 1mt7 s ILE 13 CO 0.14 -0.59 -0.17 -0.60 0.24 0.00 0.00 174.94 173.96 1mt7 s ARG 14 N -3.73 2.47 -0.20 0.37 3.52 0.91 -1.30 118.95 120.99 1mt7 s ARG 14 Ca 0.21 -0.65 -0.17 0.00 -0.13 0.00 0.00 55.73 54.99 1mt7 s ARG 14 Cb 0.02 -2.07 0.05 0.00 -1.56 0.00 0.00 34.95 31.39 1mt7 s ARG 14 CO 0.05 -0.06 0.53 -1.50 -0.81 0.00 0.00 175.30 173.50 1mt7 s ILE 15 N 0.97 -0.00 -1.29 4.11 2.07 0.69 -1.22 121.20 126.52 1mt7 s ILE 15 Ca -0.06 0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.19 1mt7 s ILE 15 Cb -0.15 -0.74 0.00 0.00 0.13 0.00 0.00 42.46 41.70 1mt7 s ILE 15 CO -0.02 0.00 0.04 0.61 -1.91 0.00 0.00 174.94 173.66 1mt7 n GLY 16 N 3.07 -0.50 2.40 1.50 0.00 -1.26 -0.19 105.19 110.21 1mt7 n GLY 16 Ca -0.15 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1mt7 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mt7 n GLY 17 N -0.91 0.81 3.58 -0.02 0.00 -1.26 -5.03 105.19 102.36 1mt7 n GLY 17 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 1mt7 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mt7 s GLN 18 N -0.10 2.09 -0.16 1.61 -0.21 0.73 -5.12 119.66 118.51 1mt7 s GLN 18 Ca 0.00 -1.26 -0.04 0.00 0.02 0.00 0.00 55.36 54.08 1mt7 s GLN 18 Cb 0.00 -2.18 -0.03 0.00 1.00 0.00 0.00 33.01 31.81 1mt7 s GLN 18 CO 0.00 0.44 -0.03 -0.51 -2.12 0.00 0.00 175.29 173.07 1mt7 s LEU 19 N -2.85 3.27 0.20 2.90 1.43 -1.26 -0.22 118.68 122.14 1mt7 s LEU 19 Ca 0.25 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1mt7 s LEU 19 Cb -0.09 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1mt7 s LEU 19 CO 0.16 0.16 0.08 -0.54 0.23 0.00 0.00 176.35 176.43 1mt7 s LYS 20 N 0.44 1.18 -0.21 1.70 1.02 -0.42 -4.97 119.74 118.49 1mt7 s LYS 20 Ca -0.03 -1.61 -0.09 0.00 0.02 0.00 0.00 55.97 54.27 1mt7 s LYS 20 Cb -0.14 -0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.11 1mt7 s LYS 20 CO 0.03 -0.28 0.10 -2.00 -0.92 0.00 0.00 175.35 172.28 1mt7 s GLU 21 N -4.04 3.99 0.07 1.68 2.12 -1.26 -0.65 118.70 120.61 1mt7 s GLU 21 Ca 0.32 -0.32 0.02 0.00 0.36 0.00 0.00 54.97 55.35 1mt7 s GLU 21 Cb 0.07 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 1mt7 s GLU 21 CO 0.08 0.17 -0.07 0.00 -0.54 0.00 0.00 175.26 174.91 1mt7 s ALA 22 N 0.68 0.80 -0.25 6.30 0.00 0.59 -4.61 121.76 125.27 1mt7 s ALA 22 Ca 0.05 -1.09 -0.11 0.00 0.00 0.00 0.00 51.96 50.81 1mt7 s ALA 22 Cb -0.13 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 1mt7 s ALA 22 CO 0.01 -0.13 0.19 -1.17 0.00 0.00 0.00 175.76 174.66 1mt7 s LEU 23 N -2.38 4.10 -0.16 0.00 2.96 -0.60 -0.24 118.68 122.35 1mt7 s LEU 23 Ca 0.02 0.12 -0.29 0.00 -0.22 0.00 0.00 54.13 53.76 1mt7 s LEU 23 Cb -0.02 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1mt7 s LEU 23 CO -0.02 0.02 1.65 -0.76 -1.32 0.00 0.00 176.35 175.92 1mt7 s LEU 24 N 1.26 4.03 -0.40 -0.68 1.02 -0.42 -0.99 118.68 122.51 1mt7 s LEU 24 Ca 0.08 1.86 0.03 0.00 0.02 0.00 0.00 54.13 56.13 1mt7 s LEU 24 Cb -0.14 -3.53 0.11 0.00 0.02 0.00 0.00 46.19 42.65 1mt7 s LEU 24 CO 0.06 -1.16 0.13 0.21 0.02 0.00 0.00 176.35 175.61 1mt7 s ASN 25 N 4.07 4.47 0.10 2.29 2.47 0.40 -4.80 114.94 123.94 1mt7 s ASN 25 Ca 0.73 -2.38 0.18 0.00 0.42 0.00 0.00 52.86 51.81 1mt7 s ASN 25 Cb -0.28 -1.50 0.75 0.00 -1.45 0.00 0.00 41.25 38.77 1mt7 s ASN 25 CO 0.29 -0.33 1.55 0.35 -3.72 0.00 0.00 177.10 175.24 1mt7 n THR 26 N 3.94 0.95 1.65 -5.21 -2.24 -1.26 -2.86 114.28 109.25 1mt7 n THR 26 Ca 0.04 0.25 0.10 0.00 -2.27 0.00 0.00 64.05 62.17 1mt7 n THR 26 Cb 0.39 -1.08 0.48 0.00 -2.10 0.00 0.00 70.33 68.01 1mt7 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mt7 n GLY 27 N -0.05 -0.42 2.89 3.38 0.00 -1.26 -4.83 105.19 104.91 1mt7 n GLY 27 Ca 0.03 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 1mt7 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mt7 s ALA 28 N -1.91 0.03 0.05 4.61 0.00 -1.14 -5.03 121.76 118.37 1mt7 s ALA 28 Ca 0.30 -0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.24 1mt7 s ALA 28 Cb 0.15 0.02 -0.23 0.00 0.00 0.00 0.00 23.12 23.06 1mt7 s ALA 28 CO 0.24 -0.02 1.01 0.22 0.00 0.00 0.00 175.76 177.21 1mt7 h ASP 29 N 5.93 0.08 -3.71 0.00 3.58 -1.88 0.26 116.42 120.69 1mt7 h ASP 29 Ca -0.25 -0.11 -0.49 0.00 0.42 0.00 0.00 57.03 56.59 1mt7 h ASP 29 Cb 1.21 -0.03 0.04 0.00 1.72 0.00 0.00 39.33 42.27 1mt7 h ASP 29 CO 0.50 1.09 0.16 -1.81 -2.88 0.00 0.00 179.24 176.30 1mt7 s ASP 30 N -6.58 6.26 -0.19 2.28 1.01 -1.26 -1.30 116.67 116.88 1mt7 s ASP 30 Ca -0.03 1.02 -0.03 0.00 0.71 0.00 0.00 52.55 54.22 1mt7 s ASP 30 Cb 0.09 -2.29 -0.02 0.00 1.01 0.00 0.00 42.92 41.71 1mt7 s ASP 30 CO 0.83 -0.63 -0.05 -0.89 0.21 0.00 0.00 175.17 174.64 1mt7 s THR 31 N -2.81 3.51 -0.12 -1.27 2.01 -1.26 -2.78 115.64 112.92 1mt7 s THR 31 Ca 0.49 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 62.04 1mt7 s THR 31 Cb -0.10 -2.56 0.01 0.00 0.01 0.00 0.00 72.50 69.86 1mt7 s THR 31 CO 0.46 0.45 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.98 1mt7 s VAL 32 N 0.99 1.72 0.06 3.82 1.01 0.02 -0.81 120.40 127.21 1mt7 s VAL 32 Ca 0.00 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1mt7 s VAL 32 Cb -0.15 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1mt7 s VAL 32 CO 0.00 0.49 -0.12 -0.76 0.00 0.00 0.00 175.10 174.71 1mt7 s LEU 33 N 0.86 2.93 0.66 3.92 1.43 0.82 0.11 118.68 129.41 1mt7 s LEU 33 Ca -0.08 -0.35 -0.17 0.00 -1.03 0.00 0.00 54.13 52.50 1mt7 s LEU 33 Cb -0.15 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1mt7 s LEU 33 CO -0.01 0.23 1.03 -0.62 0.23 0.00 0.00 176.35 177.21 1mt7 n GLU 34 N 1.17 0.79 -1.60 1.70 1.02 -1.26 -2.27 120.64 120.18 1mt7 n GLU 34 Ca -0.15 0.32 -0.62 0.00 -0.02 0.00 0.00 57.16 56.69 1mt7 n GLU 34 Cb 0.52 -2.26 -0.09 0.00 -0.02 0.00 0.00 31.44 29.59 1mt7 n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1mt7 n GLU 35 N -1.52 0.04 -3.72 3.49 4.07 -0.96 -4.63 120.64 117.41 1mt7 n GLU 35 Ca 0.14 0.01 -0.14 0.00 -0.06 0.00 0.00 57.16 57.12 1mt7 n GLU 35 Cb 0.48 -1.52 -0.09 0.00 -0.06 0.00 0.00 31.44 30.26 1mt7 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1mt7 s MET 36 N 1.26 0.62 -1.35 5.31 0.23 -1.26 -5.01 119.30 119.10 1mt7 s MET 36 Ca 0.97 0.24 -0.10 0.00 -1.03 0.00 0.00 55.69 55.77 1mt7 s MET 36 Cb -1.35 0.29 0.11 0.00 -1.53 0.00 0.00 34.83 32.35 1mt7 s MET 36 CO 0.67 -0.14 2.13 -1.71 -2.03 0.00 0.00 175.02 173.95 1mt7 n ASN 37 N 2.02 5.68 -4.76 -1.18 5.15 -1.26 -4.99 115.26 115.92 1mt7 n ASN 37 Ca -0.17 -3.02 -0.40 0.00 -0.60 0.00 0.00 54.58 50.39 1mt7 n ASN 37 Cb 0.57 -1.50 -0.04 0.00 -0.53 0.00 0.00 39.78 38.28 1mt7 n ASN 37 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1mt7 s LEU 38 N -0.00 4.52 0.65 1.20 1.43 -1.26 -5.04 118.68 120.17 1mt7 s LEU 38 Ca 0.46 2.32 -0.11 0.00 -1.03 0.00 0.00 54.13 55.78 1mt7 s LEU 38 Cb 0.13 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 1mt7 s LEU 38 CO -0.04 -0.22 1.04 -2.16 0.23 0.00 0.00 176.35 175.20 1mt7 s PRO 39 N -1.35 3.31 0.00 1.29 0.04 -1.26 -4.98 135.00 132.05 1mt7 s PRO 39 Ca 0.46 0.61 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1mt7 s PRO 39 Cb -0.33 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1mt7 s PRO 39 CO 0.42 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 177.14 1mt7 n GLY 40 N -2.83 1.93 3.87 0.56 0.00 -1.26 -5.04 105.19 102.42 1mt7 n GLY 40 Ca 0.06 -2.04 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 1mt7 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mt7 s LYS 41 N -2.14 3.49 0.30 1.61 3.01 -1.26 -5.08 119.74 119.67 1mt7 s LYS 41 Ca 0.00 0.73 -0.13 0.00 -1.01 0.00 0.00 55.97 55.56 1mt7 s LYS 41 Cb 0.00 -2.07 0.01 0.00 -1.01 0.00 0.00 37.83 34.76 1mt7 s LYS 41 CO 0.00 -0.64 0.58 1.67 0.51 0.00 0.00 175.35 177.46 1mt7 s TRP 42 N -3.19 0.36 0.01 3.18 1.48 -1.26 -4.70 118.94 114.82 1mt7 s TRP 42 Ca 0.55 -0.77 0.03 0.00 -1.06 0.00 0.00 56.10 54.86 1mt7 s TRP 42 Cb -0.11 0.35 -0.01 0.00 -1.16 0.00 0.00 33.47 32.53 1mt7 s TRP 42 CO 0.54 -1.17 -0.10 0.15 -4.06 0.00 0.00 176.95 172.30 1mt7 s LYS 43 N -3.50 0.75 0.53 3.25 -0.14 -0.93 -4.92 119.74 114.78 1mt7 s LYS 43 Ca 0.21 -0.50 -0.21 0.00 -1.36 0.00 0.00 55.97 54.11 1mt7 s LYS 43 Cb -0.02 -0.71 -0.06 0.00 -1.68 0.00 0.00 37.83 35.37 1mt7 s LYS 43 CO 0.11 0.18 1.21 -2.14 -0.76 0.00 0.00 175.35 173.96 1mt7 s PRO 44 N -0.65 3.34 0.01 -1.68 0.02 -1.26 -0.88 135.00 133.90 1mt7 s PRO 44 Ca 0.01 1.86 -0.24 0.00 0.02 0.00 0.00 61.00 62.65 1mt7 s PRO 44 Cb -0.06 -2.18 0.05 0.00 0.02 0.00 0.00 34.50 32.34 1mt7 s PRO 44 CO 0.00 -0.92 0.55 0.21 -0.33 0.00 0.00 177.00 176.51 1mt7 s LYS 45 N -3.01 0.99 -0.10 5.54 2.20 -0.81 -4.85 119.74 119.71 1mt7 s LYS 45 Ca 0.71 -0.06 0.04 0.00 -0.36 0.00 0.00 55.97 56.29 1mt7 s LYS 45 Cb -0.31 0.46 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 1mt7 s LYS 45 CO 0.36 -0.33 -0.23 -1.64 -0.36 0.00 0.00 175.35 173.15 1mt7 s MET 46 N -1.87 2.94 0.04 4.03 -1.94 -1.26 -1.33 119.30 119.91 1mt7 s MET 46 Ca -0.08 -0.84 0.07 0.00 -1.71 0.00 0.00 55.69 53.13 1mt7 s MET 46 Cb -0.01 -2.25 -0.02 0.00 2.01 0.00 0.00 34.83 34.55 1mt7 s MET 46 CO 0.03 0.13 -0.21 0.96 -0.01 0.00 0.00 175.02 175.92 1mt7 s ILE 47 N 0.45 1.73 0.16 2.53 -4.36 -0.93 -4.97 121.20 115.81 1mt7 s ILE 47 Ca -0.17 -1.19 0.04 0.00 -0.26 0.00 0.00 60.65 59.08 1mt7 s ILE 47 Cb -0.17 -1.49 -0.05 0.00 1.25 0.00 0.00 42.46 42.00 1mt7 s ILE 47 CO 0.07 0.26 -0.08 -0.83 0.24 0.00 0.00 174.94 174.60 1mt7 s GLY 48 N -1.10 1.16 0.00 6.27 0.00 -1.26 -1.34 107.32 111.05 1mt7 s GLY 48 Ca 0.08 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.26 1mt7 s GLY 48 CO 0.01 -1.61 0.00 0.61 0.00 0.00 0.00 173.10 172.12 1mt7 n GLY 49 N -0.24 1.69 3.70 0.20 0.00 -0.63 -4.99 105.19 104.94 1mt7 n GLY 49 Ca -0.09 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 1mt7 n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1mt7 n ILE 50 N 0.00 0.11 0.00 -0.61 5.41 -1.26 -1.31 119.36 121.70 1mt7 n ILE 50 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1mt7 n ILE 50 Cb 0.00 -1.97 0.00 0.00 -0.71 0.00 0.00 39.64 36.96 1mt7 n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1mt7 n GLY 51 N 3.99 3.46 0.00 7.39 0.00 -1.26 -4.96 105.19 113.81 1mt7 n GLY 51 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1mt7 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mt7 n GLY 52 N -1.85 0.38 3.63 -0.02 0.00 -0.43 -5.07 105.19 101.82 1mt7 n GLY 52 Ca 0.00 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.61 1mt7 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mt7 s PHE 53 N -0.16 2.83 0.13 1.61 0.40 -1.26 -1.60 117.98 119.93 1mt7 s PHE 53 Ca 0.00 -0.12 0.06 0.00 -0.60 0.00 0.00 56.93 56.27 1mt7 s PHE 53 Cb 0.00 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 1mt7 s PHE 53 CO 0.00 0.47 -0.13 0.96 0.70 0.00 0.00 175.22 177.22 1mt7 s ILE 54 N -1.39 1.28 -0.08 0.64 -4.36 -0.45 -4.97 121.20 111.86 1mt7 s ILE 54 Ca 0.24 -1.77 -0.15 0.00 -0.26 0.00 0.00 60.65 58.71 1mt7 s ILE 54 Cb -0.11 -1.57 -0.05 0.00 1.25 0.00 0.00 42.46 41.99 1mt7 s ILE 54 CO 0.16 -0.48 0.38 -0.54 0.24 0.00 0.00 174.94 174.70 1mt7 s LYS 55 N -2.85 4.11 0.15 0.37 1.02 -1.26 -2.19 119.74 119.08 1mt7 s LYS 55 Ca 0.10 0.31 -0.00 0.00 0.02 0.00 0.00 55.97 56.39 1mt7 s LYS 55 Cb -0.04 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.89 1mt7 s LYS 55 CO 0.03 0.42 0.06 0.14 -0.92 0.00 0.00 175.35 175.07 1mt7 s VAL 56 N -0.16 0.20 -0.20 3.17 -7.23 -0.44 -4.35 120.40 111.40 1mt7 s VAL 56 Ca 0.22 -1.93 -0.07 0.00 -1.81 0.00 0.00 61.98 58.38 1mt7 s VAL 56 Cb -0.15 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 1mt7 s VAL 56 CO 0.09 -0.41 0.06 -0.13 -0.31 0.00 0.00 175.10 174.40 1mt7 s ARG 57 N -4.04 3.89 -0.29 4.82 0.52 0.72 -1.92 118.95 122.66 1mt7 s ARG 57 Ca 0.26 -0.38 -0.16 0.00 -0.52 0.00 0.00 55.73 54.93 1mt7 s ARG 57 Cb 0.07 -3.23 -0.03 0.00 0.52 0.00 0.00 34.95 32.28 1mt7 s ARG 57 CO 0.03 0.16 0.40 -1.14 0.02 0.00 0.00 175.30 174.77 1mt7 s GLN 58 N 0.68 3.90 -0.10 3.54 0.74 -0.06 -0.47 119.66 127.89 1mt7 s GLN 58 Ca 0.03 -0.04 -0.00 0.00 0.05 0.00 0.00 55.36 55.40 1mt7 s GLN 58 Cb -0.13 -3.70 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 1mt7 s GLN 58 CO 0.02 -0.37 -0.08 0.71 -0.55 0.00 0.00 175.29 175.01 1mt7 s TYR 59 N 2.12 2.90 0.21 1.67 1.51 0.29 -2.18 117.35 123.86 1mt7 s TYR 59 Ca 0.15 -0.25 0.07 0.00 -1.01 0.00 0.00 57.07 56.03 1mt7 s TYR 59 Cb -0.16 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.85 1mt7 s TYR 59 CO 0.11 0.08 0.12 -0.51 -1.11 0.00 0.00 175.55 174.23 1mt7 s ASP 60 N -0.20 5.28 -1.42 2.29 -0.00 -1.26 -0.42 116.67 120.93 1mt7 s ASP 60 Ca 0.02 -0.28 -0.06 0.00 -0.00 0.00 0.00 52.55 52.23 1mt7 s ASP 60 Cb -0.13 -1.28 0.04 0.00 -0.00 0.00 0.00 42.92 41.54 1mt7 s ASP 60 CO 0.03 0.03 0.75 0.00 -0.00 0.00 0.00 175.17 175.97 1mt7 n GLN 61 N -0.67 -4.72 -3.61 8.23 1.13 -1.20 -4.91 117.38 111.62 1mt7 n GLN 61 Ca -0.08 0.56 -0.37 0.00 -1.94 0.00 0.00 57.00 55.17 1mt7 n GLN 61 Cb 0.56 -5.16 -0.09 0.00 0.11 0.00 0.00 30.24 25.66 1mt7 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1mt7 s ILE 62 N -3.58 5.33 0.10 5.09 -1.09 -0.60 -4.77 121.20 121.68 1mt7 s ILE 62 Ca 0.26 0.28 -0.31 0.00 -2.23 0.00 0.00 60.65 58.65 1mt7 s ILE 62 Cb -0.13 -3.54 -0.07 0.00 -1.58 0.00 0.00 42.46 37.13 1mt7 s ILE 62 CO 0.84 0.33 1.31 -2.84 -1.23 0.00 0.00 174.94 173.35 1mt7 s PRO 63 N 1.08 4.37 -0.05 2.79 0.02 -1.26 -2.09 135.00 139.86 1mt7 s PRO 63 Ca 0.10 1.96 -0.01 0.00 0.02 0.00 0.00 61.00 63.08 1mt7 s PRO 63 Cb -0.14 -3.28 0.03 0.00 0.02 0.00 0.00 34.50 31.13 1mt7 s PRO 63 CO 0.05 -0.35 0.01 0.08 -0.33 0.00 0.00 177.00 176.45 1mt7 s VAL 64 N 0.99 0.24 -0.19 3.83 1.01 -0.04 -4.40 120.40 121.83 1mt7 s VAL 64 Ca 0.62 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.67 1mt7 s VAL 64 Cb -0.34 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 1mt7 s VAL 64 CO 0.31 0.20 0.04 -0.70 0.00 0.00 0.00 175.10 174.95 1mt7 s GLU 65 N 1.55 3.82 -0.32 2.72 2.12 -0.36 -0.68 118.70 127.54 1mt7 s GLU 65 Ca -0.02 -0.42 -0.01 0.00 0.36 0.00 0.00 54.97 54.88 1mt7 s GLU 65 Cb -0.13 -3.17 0.06 0.00 0.26 0.00 0.00 34.13 31.15 1mt7 s GLU 65 CO -0.03 0.14 0.02 0.42 -0.54 0.00 0.00 175.26 175.28 1mt7 s ILE 66 N 0.70 2.91 -1.45 -3.70 1.01 0.96 -0.06 121.20 121.56 1mt7 s ILE 66 Ca 0.02 -1.58 -0.05 0.00 0.00 0.00 0.00 60.65 59.04 1mt7 s ILE 66 Cb -0.14 -2.76 0.04 0.00 0.01 0.00 0.00 42.46 39.61 1mt7 s ILE 66 CO 0.02 -0.23 0.64 0.00 0.00 0.00 0.00 174.94 175.37 1mt7 n GLY 68 N -1.75 1.39 3.53 0.00 0.00 -1.26 -5.00 105.19 102.10 1mt7 n GLY 68 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1mt7 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mt7 s HIS 69 N -3.69 3.20 0.30 1.61 4.02 0.22 -5.07 115.29 115.87 1mt7 s HIS 69 Ca 0.00 -0.13 -0.28 0.00 1.02 0.00 0.00 55.06 55.66 1mt7 s HIS 69 Cb 0.00 -2.38 -0.09 0.00 -1.02 0.00 0.00 32.58 29.09 1mt7 s HIS 69 CO 0.00 -0.28 1.06 0.15 1.02 0.00 0.00 174.74 176.69 1mt7 s LYS 70 N 1.71 4.59 0.20 1.40 1.02 -1.26 -0.03 119.74 127.37 1mt7 s LYS 70 Ca 0.06 1.69 -0.10 0.00 0.02 0.00 0.00 55.97 57.64 1mt7 s LYS 70 Cb -0.16 -3.07 -0.01 0.00 -0.52 0.00 0.00 37.83 34.07 1mt7 s LYS 70 CO 0.09 0.20 0.36 0.00 -0.92 0.00 0.00 175.35 175.08 1mt7 s ALA 71 N -1.27 -0.04 -0.29 5.17 0.00 0.14 -4.71 121.76 120.76 1mt7 s ALA 71 Ca 0.46 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 51.38 1mt7 s ALA 71 Cb -0.29 0.99 0.11 0.00 0.00 0.00 0.00 23.12 23.93 1mt7 s ALA 71 CO 0.37 -0.73 0.69 -1.50 0.00 0.00 0.00 175.76 174.59 1mt7 s ILE 72 N -4.00 -0.48 0.00 0.00 2.07 -1.26 -0.86 121.20 116.67 1mt7 s ILE 72 Ca 0.21 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.45 1mt7 s ILE 72 Cb 0.02 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.61 1mt7 s ILE 72 CO 0.04 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.68 1mt7 n GLY 73 N 4.85 0.74 3.73 1.50 0.00 -0.89 -4.84 105.19 110.28 1mt7 n GLY 73 Ca -0.16 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 1mt7 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mt7 s THR 74 N -2.02 4.05 -0.04 2.61 2.01 -1.26 -1.56 115.64 119.43 1mt7 s THR 74 Ca 0.00 1.66 0.03 0.00 0.31 0.00 0.00 61.69 63.69 1mt7 s THR 74 Cb 0.00 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.45 1mt7 s THR 74 CO 0.00 0.23 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.34 1mt7 s VAL 75 N 0.19 1.12 -0.15 3.82 1.01 0.44 -4.42 120.40 122.42 1mt7 s VAL 75 Ca 0.52 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 1mt7 s VAL 75 Cb -0.28 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1mt7 s VAL 75 CO 0.32 0.34 0.05 -0.76 0.00 0.00 0.00 175.10 175.06 1mt7 s LEU 76 N 0.24 3.83 -0.11 3.92 1.43 0.01 -0.55 118.68 127.45 1mt7 s LEU 76 Ca -0.06 0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.23 1mt7 s LEU 76 Cb -0.11 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1mt7 s LEU 76 CO 0.02 0.27 -0.23 -0.69 0.23 0.00 0.00 176.35 175.94 1mt7 s VAL 77 N -0.19 2.09 -0.00 -1.59 1.01 0.38 -0.12 120.40 121.97 1mt7 s VAL 77 Ca 0.07 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1mt7 s VAL 77 Cb -0.12 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1mt7 s VAL 77 CO 0.01 0.56 0.03 0.61 0.00 0.00 0.00 175.10 176.32 1mt7 n GLY 78 N 3.64 0.62 2.19 4.51 0.00 -0.96 -0.20 105.19 114.98 1mt7 n GLY 78 Ca -0.19 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 1mt7 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mt7 n PRO 79 N -0.02 1.39 -2.74 1.61 -0.04 -1.26 -2.26 135.00 131.67 1mt7 n PRO 79 Ca 0.00 -0.72 -0.38 0.00 -0.04 0.00 0.00 63.50 62.37 1mt7 n PRO 79 Cb 0.02 -1.87 -0.06 0.00 -0.04 0.00 0.00 33.50 31.54 1mt7 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1mt7 s THR 80 N 1.75 4.11 -2.00 0.52 -1.32 -1.26 -4.92 115.64 112.51 1mt7 s THR 80 Ca 0.45 1.85 0.17 0.00 -1.21 0.00 0.00 61.69 62.95 1mt7 s THR 80 Cb 0.21 -4.07 0.49 0.00 -1.51 0.00 0.00 72.50 67.62 1mt7 s THR 80 CO -0.00 0.24 1.48 -0.81 -2.21 0.00 0.00 174.62 173.31 1mt7 n PRO 81 N 0.80 0.68 -3.59 7.08 -0.04 -1.26 -4.70 135.00 133.97 1mt7 n PRO 81 Ca 0.01 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.37 1mt7 n PRO 81 Cb 0.49 -1.40 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 1mt7 n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mt7 s ALA 82 N -2.00 -1.95 -0.05 0.55 0.00 -1.26 -5.11 121.76 111.94 1mt7 s ALA 82 Ca 0.26 1.66 -0.30 0.00 0.00 0.00 0.00 51.96 53.58 1mt7 s ALA 82 Cb 0.12 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1mt7 s ALA 82 CO 0.20 -0.29 1.35 -0.80 0.00 0.00 0.00 175.76 176.23 1mt7 s ASN 83 N -0.75 6.90 -0.10 0.00 0.01 -1.26 -4.62 114.94 115.12 1mt7 s ASN 83 Ca -0.00 1.98 0.03 0.00 -0.71 0.00 0.00 52.86 54.16 1mt7 s ASN 83 Cb -0.02 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 39.10 1mt7 s ASN 83 CO -0.01 -0.72 -0.19 0.27 -1.51 0.00 0.00 177.10 174.95 1mt7 s ILE 84 N 2.71 1.71 -0.37 0.60 -5.25 0.12 -1.56 121.20 119.16 1mt7 s ILE 84 Ca 0.61 -0.80 -0.14 0.00 -0.99 0.00 0.00 60.65 59.33 1mt7 s ILE 84 Cb -0.28 -1.52 0.00 0.00 2.95 0.00 0.00 42.46 43.61 1mt7 s ILE 84 CO 0.24 0.48 0.30 -0.63 -1.79 0.00 0.00 174.94 173.54 1mt7 s ILE 85 N 0.64 5.24 0.79 8.37 -1.09 -0.16 -0.80 121.20 134.18 1mt7 s ILE 85 Ca -0.13 -0.34 -0.05 0.00 -2.23 0.00 0.00 60.65 57.89 1mt7 s ILE 85 Cb -0.16 -3.84 0.15 0.00 -1.58 0.00 0.00 42.46 37.02 1mt7 s ILE 85 CO 0.04 -0.18 1.09 -0.83 -1.23 0.00 0.00 174.94 173.83 1mt7 s GLY 86 N 1.72 1.76 0.56 6.18 0.00 -1.12 -0.45 107.32 115.98 1mt7 s GLY 86 Ca 0.07 -1.60 0.24 0.00 0.00 0.00 0.00 44.72 43.44 1mt7 s GLY 86 CO 0.11 -0.97 2.19 3.21 0.00 0.00 0.00 173.10 177.63 1mt7 h ARG 87 N -0.84 0.00 -0.90 2.90 3.08 -0.44 -1.70 114.38 116.48 1mt7 h ARG 87 Ca -0.38 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.75 1mt7 h ARG 87 Cb 1.26 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.24 1mt7 h ARG 87 CO 0.39 0.00 0.58 -2.95 -1.07 0.00 0.00 179.97 176.92 1mt7 h ASN 88 N 0.00 0.85 0.21 7.04 -1.07 -1.45 -1.97 115.58 119.19 1mt7 h ASN 88 Ca 0.02 0.02 -0.25 0.00 0.07 0.00 0.00 56.30 56.16 1mt7 h ASN 88 Cb 0.10 -0.16 -0.05 0.00 -2.07 0.00 0.00 38.32 36.14 1mt7 h ASN 88 CO -0.00 0.52 -2.03 0.18 0.07 0.00 0.00 177.43 176.16 1mt7 n LEU 89 N -4.52 0.28 -0.25 6.14 4.77 -0.93 -4.16 117.00 118.34 1mt7 n LEU 89 Ca 0.15 0.13 -0.02 0.00 -0.03 0.00 0.00 56.01 56.24 1mt7 n LEU 89 Cb 0.26 0.28 0.17 0.00 -2.33 0.00 0.00 43.42 41.80 1mt7 n LEU 89 CO 0.32 0.32 1.17 -0.07 -1.33 0.00 0.00 177.39 177.80 1mt7 h LEU 90 N 0.00 0.96 -0.81 2.23 3.38 -1.03 -2.09 115.31 117.95 1mt7 h LEU 90 Ca -0.34 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.46 1mt7 h LEU 90 Cb 1.86 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.35 1mt7 h LEU 90 CO 0.03 0.76 -0.18 0.71 0.09 0.00 0.00 178.44 179.86 1mt7 h THR 91 N 1.09 1.26 -0.15 0.22 1.35 -1.55 -1.68 112.91 113.46 1mt7 h THR 91 Ca 0.28 -1.24 -0.00 0.00 -0.55 0.00 0.00 66.41 64.90 1mt7 h THR 91 Cb 0.01 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.59 1mt7 h THR 91 CO -0.05 0.41 0.07 1.56 -0.25 0.00 0.00 175.52 177.27 1mt7 h GLN 92 N 0.62 0.20 -0.56 4.72 4.20 -1.54 -1.37 115.11 121.38 1mt7 h GLN 92 Ca 0.10 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1mt7 h GLN 92 Cb 0.65 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1mt7 h GLN 92 CO 0.05 0.16 0.00 0.44 -0.67 0.00 0.00 178.83 178.80 1mt7 n ILE 93 N -4.49 0.74 -2.56 2.54 -5.35 -1.08 -4.94 119.36 104.23 1mt7 n ILE 93 Ca -0.01 -0.78 -0.12 0.00 -0.27 0.00 0.00 62.75 61.57 1mt7 n ILE 93 Cb 0.10 0.48 0.01 0.00 -1.74 0.00 0.00 39.64 38.49 1mt7 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mt7 n GLY 94 N 1.46 0.01 3.75 3.28 0.00 -0.52 -5.01 105.19 108.16 1mt7 n GLY 94 Ca 0.20 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 1mt7 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mt7 s THR 96 N -0.42 0.63 -0.11 0.00 -4.23 -1.26 -4.70 115.64 105.55 1mt7 s THR 96 Ca 0.40 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.90 1mt7 s THR 96 Cb -0.22 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.13 1mt7 s THR 96 CO 0.26 -0.17 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.37 1mt7 s LEU 97 N -3.27 3.26 -0.01 4.79 1.43 -1.26 -5.10 118.68 118.52 1mt7 s LEU 97 Ca 0.33 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1mt7 s LEU 97 Cb 0.07 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.56 1mt7 s LEU 97 CO 0.10 0.28 -0.01 0.20 0.23 0.00 0.00 176.35 177.16 1mt7 s ASN 98 N -0.29 0.28 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.79 1mt7 s ASN 98 Ca 0.05 -0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.32 1mt7 s ASN 98 Cb -0.13 -0.11 0.00 0.00 -0.02 0.00 0.00 41.25 41.00 1mt7 s ASN 98 CO 0.02 -0.05 0.00 2.22 -2.57 0.00 0.00 177.10 176.73