#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mtb s GLN 2 N 0.00 2.37 -0.22 -0.52 0.74 -1.26 -5.10 119.66 115.68 1mtb s GLN 2 Ca 0.00 -1.28 -0.09 0.00 0.05 0.00 0.00 55.36 54.04 1mtb s GLN 2 Cb 0.00 -2.99 -0.05 0.00 1.10 0.00 0.00 33.01 31.08 1mtb s GLN 2 CO 0.00 -0.56 0.12 0.42 -0.55 0.00 0.00 175.29 174.72 1mtb s ILE 3 N 1.18 5.09 0.55 -2.34 1.01 -1.26 -5.09 121.20 120.34 1mtb s ILE 3 Ca -0.07 0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.63 1mtb s ILE 3 Cb -0.19 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 38.93 1mtb s ILE 3 CO -0.04 0.38 0.84 0.42 0.00 0.00 0.00 174.94 176.54 1mtb s THR 4 N 0.88 3.78 -0.30 2.92 -4.23 -1.26 -5.02 115.64 112.40 1mtb s THR 4 Ca 0.06 -0.12 0.09 0.00 -1.18 0.00 0.00 61.69 60.54 1mtb s THR 4 Cb -0.13 -3.47 0.53 0.00 1.34 0.00 0.00 72.50 70.77 1mtb s THR 4 CO 0.03 -0.44 1.52 0.18 -0.54 0.00 0.00 174.62 175.36 1mtb n LEU 5 N -2.44 4.44 0.22 4.79 4.77 -1.26 -4.49 117.00 123.01 1mtb n LEU 5 Ca 0.04 -3.66 0.09 0.00 -0.03 0.00 0.00 56.01 52.45 1mtb n LEU 5 Cb 0.57 -0.65 0.41 0.00 -2.33 0.00 0.00 43.42 41.42 1mtb n LEU 5 CO 0.51 1.16 0.77 -0.50 -1.33 0.00 0.00 177.39 178.00 1mtb h TRP 6 N 1.13 0.00 -3.67 -1.77 4.06 -2.05 -3.44 115.95 110.21 1mtb h TRP 6 Ca 0.24 0.00 -0.34 0.00 2.06 0.00 0.00 58.89 60.86 1mtb h TRP 6 Cb 1.79 0.00 -0.18 0.00 -1.00 0.00 0.00 29.16 29.77 1mtb h TRP 6 CO 1.04 0.24 -0.74 -0.65 -3.56 0.00 0.00 178.44 174.77 1mtb s GLN 7 N -3.56 0.90 -0.05 0.49 1.11 -1.26 -5.09 119.66 112.19 1mtb s GLN 7 Ca 0.01 -1.20 -0.38 0.00 0.01 0.00 0.00 55.36 53.80 1mtb s GLN 7 Cb 0.10 -0.61 -0.16 0.00 -1.01 0.00 0.00 33.01 31.32 1mtb s GLN 7 CO 0.65 0.10 1.50 0.54 0.01 0.00 0.00 175.29 178.08 1mtb n ARG 8 N 0.49 1.16 -2.18 2.91 1.74 -1.26 -4.79 116.66 114.72 1mtb n ARG 8 Ca -0.15 0.42 -0.31 0.00 -0.77 0.00 0.00 57.85 57.04 1mtb n ARG 8 Cb 0.58 -2.08 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 1mtb n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1mtb s PRO 9 N 1.65 2.81 0.07 5.56 0.04 -1.26 -4.94 135.00 138.93 1mtb s PRO 9 Ca 0.90 -1.11 -0.06 0.00 0.04 0.00 0.00 61.00 60.77 1mtb s PRO 9 Cb -1.00 -5.26 -0.05 0.00 0.04 0.00 0.00 34.50 28.23 1mtb s PRO 9 CO 0.54 -3.48 0.31 -0.51 0.04 0.00 0.00 177.00 173.90 1mtb s LEU 10 N 9.38 4.33 0.12 -3.56 1.43 -1.26 -1.46 118.68 127.67 1mtb s LEU 10 Ca 0.65 0.56 -0.06 0.00 -1.03 0.00 0.00 54.13 54.25 1mtb s LEU 10 Cb -0.01 -2.95 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 1mtb s LEU 10 CO 0.08 0.17 0.16 0.68 0.23 0.00 0.00 176.35 177.67 1mtb s VAL 11 N -1.45 0.11 -0.18 -1.59 -7.23 0.03 -4.97 120.40 105.12 1mtb s VAL 11 Ca 0.33 -1.52 -0.10 0.00 -1.81 0.00 0.00 61.98 58.88 1mtb s VAL 11 Cb -0.13 -1.72 -0.05 0.00 0.56 0.00 0.00 36.38 35.04 1mtb s VAL 11 CO 0.21 -0.52 0.16 -0.89 -0.31 0.00 0.00 175.10 173.74 1mtb s THR 12 N -3.95 5.40 0.24 5.32 2.01 -1.26 -0.94 115.64 122.45 1mtb s THR 12 Ca 0.14 0.25 0.11 0.00 0.31 0.00 0.00 61.69 62.50 1mtb s THR 12 Cb 0.05 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 1mtb s THR 12 CO -0.04 0.45 -0.20 0.27 -0.69 0.00 0.00 174.62 174.42 1mtb s ILE 13 N 0.20 2.25 -0.09 1.82 -4.36 -0.14 -2.64 121.20 118.23 1mtb s ILE 13 Ca 0.10 -2.25 0.03 0.00 -0.26 0.00 0.00 60.65 58.27 1mtb s ILE 13 Cb -0.11 -2.17 0.01 0.00 1.25 0.00 0.00 42.46 41.43 1mtb s ILE 13 CO -0.00 -0.38 -0.18 -0.60 0.24 0.00 0.00 174.94 174.02 1mtb s ARG 14 N -3.30 2.39 -0.23 0.37 3.52 -0.28 -1.35 118.95 120.05 1mtb s ARG 14 Ca 0.25 -0.64 -0.20 0.00 -0.13 0.00 0.00 55.73 55.01 1mtb s ARG 14 Cb -0.05 -1.92 0.06 0.00 -1.56 0.00 0.00 34.95 31.49 1mtb s ARG 14 CO 0.12 0.05 0.61 -1.50 -0.81 0.00 0.00 175.30 173.77 1mtb s ILE 15 N 0.66 -0.00 0.00 4.11 2.07 -0.04 -1.85 121.20 126.15 1mtb s ILE 15 Ca -0.13 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.12 1mtb s ILE 15 Cb -0.16 -0.86 0.00 0.00 0.13 0.00 0.00 42.46 41.56 1mtb s ILE 15 CO 0.03 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.68 1mtb n GLY 16 N 3.09 0.29 0.00 1.50 0.00 -1.26 -1.59 105.19 107.21 1mtb n GLY 16 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1mtb n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mtb n GLY 17 N -1.55 1.83 3.99 -0.02 0.00 -1.26 -5.06 105.19 103.13 1mtb n GLY 17 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1mtb n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mtb s GLN 18 N -0.58 2.85 -0.07 1.61 -2.07 -0.62 -5.11 119.66 115.66 1mtb s GLN 18 Ca 0.00 -1.23 0.04 0.00 -1.82 0.00 0.00 55.36 52.35 1mtb s GLN 18 Cb 0.00 -2.73 -0.02 0.00 -1.09 0.00 0.00 33.01 29.17 1mtb s GLN 18 CO 0.00 -0.20 -0.18 -0.51 -1.32 0.00 0.00 175.29 173.08 1mtb s LEU 19 N -4.29 2.48 0.04 2.60 1.43 -1.26 -0.86 118.68 118.82 1mtb s LEU 19 Ca 0.52 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.28 1mtb s LEU 19 Cb -0.09 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 1mtb s LEU 19 CO 0.32 0.27 -0.03 -0.54 0.23 0.00 0.00 176.35 176.60 1mtb s LYS 20 N -0.32 0.55 -0.05 1.70 -0.14 -0.46 -4.98 119.74 116.05 1mtb s LYS 20 Ca 0.02 -1.09 -0.12 0.00 -1.36 0.00 0.00 55.97 53.42 1mtb s LYS 20 Cb -0.13 0.17 -0.05 0.00 -1.68 0.00 0.00 37.83 36.15 1mtb s LYS 20 CO 0.02 -0.09 0.32 -2.00 -0.76 0.00 0.00 175.35 172.84 1mtb s GLU 21 N -3.37 3.81 0.02 1.68 2.12 -1.26 -0.97 118.70 120.73 1mtb s GLU 21 Ca 0.02 0.23 -0.02 0.00 0.36 0.00 0.00 54.97 55.56 1mtb s GLU 21 Cb 0.04 -3.23 -0.01 0.00 0.26 0.00 0.00 34.13 31.19 1mtb s GLU 21 CO -0.08 0.68 0.02 0.00 -0.54 0.00 0.00 175.26 175.34 1mtb s ALA 22 N -0.93 -0.01 -0.24 6.30 0.00 -0.12 -4.51 121.76 122.25 1mtb s ALA 22 Ca 0.21 -0.46 -0.15 0.00 0.00 0.00 0.00 51.96 51.55 1mtb s ALA 22 Cb -0.15 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1mtb s ALA 22 CO 0.10 -0.18 0.39 -1.17 0.00 0.00 0.00 175.76 174.90 1mtb s LEU 23 N -1.47 4.09 -0.27 0.00 2.96 -0.10 -0.79 118.68 123.10 1mtb s LEU 23 Ca -0.15 0.40 -0.29 0.00 -0.22 0.00 0.00 54.13 53.87 1mtb s LEU 23 Cb -0.09 -2.48 -0.01 0.00 0.50 0.00 0.00 46.19 44.11 1mtb s LEU 23 CO -0.00 -0.15 1.41 -0.76 -1.32 0.00 0.00 176.35 175.53 1mtb s LEU 24 N 1.77 3.89 -0.25 -0.68 1.43 -0.54 -1.55 118.68 122.76 1mtb s LEU 24 Ca 0.17 1.35 0.01 0.00 -1.03 0.00 0.00 54.13 54.63 1mtb s LEU 24 Cb -0.15 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.59 1mtb s LEU 24 CO 0.09 -1.14 -0.06 0.21 0.23 0.00 0.00 176.35 175.69 1mtb s ASN 25 N 3.27 4.04 0.43 2.29 2.47 -0.75 -4.83 114.94 121.87 1mtb s ASN 25 Ca 0.61 -1.29 0.25 0.00 0.42 0.00 0.00 52.86 52.86 1mtb s ASN 25 Cb -0.19 -1.27 0.59 0.00 -1.45 0.00 0.00 41.25 38.92 1mtb s ASN 25 CO 0.25 -0.24 1.70 0.71 -3.72 0.00 0.00 177.10 175.80 1mtb h THR 26 N 6.68 0.00 -0.01 -5.21 1.35 -1.94 -3.19 112.91 110.60 1mtb h THR 26 Ca -0.17 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1mtb h THR 26 Cb 1.06 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1mtb h THR 26 CO 0.43 0.00 -0.06 0.61 -0.25 0.00 0.00 175.52 176.25 1mtb n GLY 27 N 0.90 -0.66 3.63 5.82 0.00 -1.26 -4.81 105.19 108.81 1mtb n GLY 27 Ca 0.03 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1mtb n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mtb s ALA 28 N -2.22 3.22 0.01 4.61 0.00 -1.20 -5.01 121.76 121.16 1mtb s ALA 28 Ca 0.36 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 1mtb s ALA 28 Cb 0.21 -1.53 -0.32 0.00 0.00 0.00 0.00 23.12 21.47 1mtb s ALA 28 CO 0.41 0.45 0.90 -0.44 0.00 0.00 0.00 175.76 177.08 1mtb h ASP 29 N 5.70 0.67 -1.47 0.00 3.32 -1.87 -2.21 116.42 120.56 1mtb h ASP 29 Ca -0.44 -0.81 -0.47 0.00 0.02 0.00 0.00 57.03 55.32 1mtb h ASP 29 Cb 1.19 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 1mtb h ASP 29 CO 0.58 1.66 -0.34 -1.81 -1.72 0.00 0.00 179.24 177.61 1mtb s ASP 30 N -7.37 5.24 -0.24 6.45 1.01 -1.26 -3.06 116.67 117.43 1mtb s ASP 30 Ca -0.10 -0.65 -0.05 0.00 0.71 0.00 0.00 52.55 52.45 1mtb s ASP 30 Cb 0.05 -0.57 -0.01 0.00 1.01 0.00 0.00 42.92 43.40 1mtb s ASP 30 CO 0.90 -0.70 0.01 -0.89 0.21 0.00 0.00 175.17 174.69 1mtb s THR 31 N -2.44 3.68 -0.14 -1.27 2.01 -1.26 -2.98 115.64 113.23 1mtb s THR 31 Ca 0.50 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.03 1mtb s THR 31 Cb -0.05 -2.74 0.02 0.00 0.01 0.00 0.00 72.50 69.74 1mtb s THR 31 CO 0.30 0.33 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.71 1mtb s VAL 32 N 1.51 1.63 0.15 3.82 1.01 -0.73 -0.60 120.40 127.18 1mtb s VAL 32 Ca 0.05 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.41 1mtb s VAL 32 Cb -0.15 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1mtb s VAL 32 CO -0.01 0.47 0.03 -0.76 0.00 0.00 0.00 175.10 174.83 1mtb s LEU 33 N 1.30 3.47 0.91 3.92 1.43 0.69 -1.12 118.68 129.27 1mtb s LEU 33 Ca 0.01 -0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 52.73 1mtb s LEU 33 Cb -0.14 -2.13 0.14 0.00 0.03 0.00 0.00 46.19 44.10 1mtb s LEU 33 CO -0.08 0.10 1.14 -1.83 0.23 0.00 0.00 176.35 175.91 1mtb s GLU 34 N -2.85 1.09 -0.10 1.70 -1.05 -1.26 -2.08 118.70 114.14 1mtb s GLU 34 Ca 0.28 1.48 -0.32 0.00 -0.15 0.00 0.00 54.97 56.26 1mtb s GLU 34 Cb -0.10 -1.74 -0.10 0.00 -0.44 0.00 0.00 34.13 31.75 1mtb s GLU 34 CO 0.20 -2.56 1.99 -1.91 0.95 0.00 0.00 175.26 173.92 1mtb n GLU 35 N -4.18 2.21 -3.94 -4.83 4.07 -1.02 -4.55 120.64 108.39 1mtb n GLU 35 Ca 0.11 0.77 -0.09 0.00 -0.06 0.00 0.00 57.16 57.89 1mtb n GLU 35 Cb 0.52 -2.81 -0.06 0.00 -0.06 0.00 0.00 31.44 29.04 1mtb n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1mtb s MET 36 N 4.73 1.37 -0.17 5.31 0.23 -1.26 -5.04 119.30 124.47 1mtb s MET 36 Ca 0.95 -1.17 -0.15 0.00 -1.03 0.00 0.00 55.69 54.29 1mtb s MET 36 Cb -0.59 0.44 -0.04 0.00 -1.53 0.00 0.00 34.83 33.10 1mtb s MET 36 CO 0.47 -0.55 0.36 -0.80 -2.03 0.00 0.00 175.02 172.47 1mtb s ASN 37 N -2.98 6.47 0.00 -1.18 -0.87 -1.26 -5.05 114.94 110.07 1mtb s ASN 37 Ca 0.19 0.55 0.05 0.00 -1.57 0.00 0.00 52.86 52.08 1mtb s ASN 37 Cb 0.01 -2.22 -0.02 0.00 -0.02 0.00 0.00 41.25 39.01 1mtb s ASN 37 CO 0.04 0.01 -0.17 -0.76 -2.57 0.00 0.00 177.10 173.65 1mtb s LEU 38 N 0.84 2.07 0.68 0.60 1.43 -1.26 -5.03 118.68 118.01 1mtb s LEU 38 Ca 0.19 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 52.80 1mtb s LEU 38 Cb -0.14 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.24 1mtb s LEU 38 CO 0.07 0.18 1.09 -2.16 0.23 0.00 0.00 176.35 175.75 1mtb s PRO 39 N -0.59 2.78 0.00 1.29 0.04 -1.26 -4.93 135.00 132.34 1mtb s PRO 39 Ca 0.06 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1mtb s PRO 39 Cb -0.07 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1mtb s PRO 39 CO -0.00 -1.25 0.00 0.41 0.04 0.00 0.00 177.00 176.20 1mtb n GLY 40 N -0.90 2.63 3.78 0.56 0.00 -1.26 -5.02 105.19 104.98 1mtb n GLY 40 Ca 0.09 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.94 1mtb n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mtb s LYS 41 N -3.60 3.71 0.05 1.61 3.01 -1.26 -5.05 119.74 118.22 1mtb s LYS 41 Ca 0.00 1.64 0.04 0.00 -1.01 0.00 0.00 55.97 56.64 1mtb s LYS 41 Cb 0.00 -2.28 -0.02 0.00 -1.01 0.00 0.00 37.83 34.52 1mtb s LYS 41 CO 0.00 -0.56 -0.11 1.67 0.51 0.00 0.00 175.35 176.86 1mtb s TRP 42 N -1.67 0.96 0.01 3.18 1.48 -1.26 -4.73 118.94 116.91 1mtb s TRP 42 Ca 0.66 -0.44 0.06 0.00 -1.06 0.00 0.00 56.10 55.32 1mtb s TRP 42 Cb -0.25 -0.56 -0.03 0.00 -1.16 0.00 0.00 33.47 31.48 1mtb s TRP 42 CO 0.30 -0.01 -0.18 0.15 -4.06 0.00 0.00 176.95 173.15 1mtb s LYS 43 N -1.52 2.18 0.10 3.25 -0.14 -1.03 -4.87 119.74 117.70 1mtb s LYS 43 Ca -0.05 -0.91 -0.31 0.00 -1.36 0.00 0.00 55.97 53.35 1mtb s LYS 43 Cb -0.09 -2.22 -0.07 0.00 -1.68 0.00 0.00 37.83 33.77 1mtb s LYS 43 CO 0.01 0.56 1.25 -2.14 -0.76 0.00 0.00 175.35 174.28 1mtb s PRO 44 N -1.19 4.41 0.21 -1.68 0.02 -1.26 -0.24 135.00 135.27 1mtb s PRO 44 Ca 0.13 1.88 0.01 0.00 0.02 0.00 0.00 61.00 63.04 1mtb s PRO 44 Cb -0.10 -3.30 -0.05 0.00 0.02 0.00 0.00 34.50 31.07 1mtb s PRO 44 CO 0.04 -0.28 0.08 0.15 -0.33 0.00 0.00 177.00 176.65 1mtb s LYS 45 N 0.87 1.24 -0.02 5.54 1.02 0.32 -4.92 119.74 123.79 1mtb s LYS 45 Ca 0.59 -1.65 0.02 0.00 0.02 0.00 0.00 55.97 54.96 1mtb s LYS 45 Cb -0.32 -0.07 0.01 0.00 -0.52 0.00 0.00 37.83 36.93 1mtb s LYS 45 CO 0.31 -0.28 -0.06 -1.64 -0.92 0.00 0.00 175.35 172.75 1mtb s MET 46 N -4.04 0.74 0.08 1.68 -1.94 -1.26 -0.02 119.30 114.54 1mtb s MET 46 Ca 0.34 -0.20 0.06 0.00 -1.71 0.00 0.00 55.69 54.17 1mtb s MET 46 Cb 0.07 -0.72 -0.03 0.00 2.01 0.00 0.00 34.83 36.16 1mtb s MET 46 CO 0.10 0.06 -0.15 0.96 -0.01 0.00 0.00 175.02 175.97 1mtb s ILE 47 N 0.30 1.22 -0.03 2.53 -4.36 -0.59 -4.95 121.20 115.33 1mtb s ILE 47 Ca -0.04 -1.39 0.02 0.00 -0.26 0.00 0.00 60.65 58.98 1mtb s ILE 47 Cb -0.08 -1.19 -0.03 0.00 1.25 0.00 0.00 42.46 42.40 1mtb s ILE 47 CO 0.00 -0.22 -0.05 -0.83 0.24 0.00 0.00 174.94 174.07 1mtb s GLY 48 N -1.84 1.76 0.00 6.27 0.00 -1.26 -0.69 107.32 111.55 1mtb s GLY 48 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1mtb s GLY 48 CO 0.03 -0.78 0.00 0.61 0.00 0.00 0.00 173.10 172.96 1mtb n GLY 49 N 1.80 6.36 0.18 0.20 0.00 0.26 -4.95 105.19 109.03 1mtb n GLY 49 Ca -0.16 -1.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 1mtb n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1mtb h ILE 50 N 0.00 1.36 -0.01 -0.61 2.10 -2.03 -3.15 117.51 115.17 1mtb h ILE 50 Ca 0.00 -2.10 0.00 0.00 1.08 0.00 0.00 64.86 63.84 1mtb h ILE 50 Cb 0.00 2.08 0.00 0.00 -1.09 0.00 0.00 36.82 37.81 1mtb h ILE 50 CO 0.00 0.64 -0.13 0.61 -1.08 0.00 0.00 178.15 178.19 1mtb n GLY 51 N 0.57 -0.67 0.00 8.18 0.00 -1.26 -5.04 105.19 106.96 1mtb n GLY 51 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1mtb n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mtb n GLY 52 N 1.26 0.80 3.85 -0.02 0.00 -1.19 -5.10 105.19 104.79 1mtb n GLY 52 Ca 0.15 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 1mtb n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mtb s PHE 53 N -1.92 3.37 0.04 1.61 0.40 -1.26 0.89 117.98 121.12 1mtb s PHE 53 Ca 0.00 0.18 -0.01 0.00 -0.60 0.00 0.00 56.93 56.50 1mtb s PHE 53 Cb 0.00 -1.71 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 1mtb s PHE 53 CO 0.00 0.56 -0.01 0.96 0.70 0.00 0.00 175.22 177.43 1mtb s ILE 54 N -1.44 0.18 -0.01 0.64 -4.36 0.13 -4.97 121.20 111.37 1mtb s ILE 54 Ca 0.32 -1.47 -0.17 0.00 -0.26 0.00 0.00 60.65 59.07 1mtb s ILE 54 Cb -0.13 -1.10 -0.06 0.00 1.25 0.00 0.00 42.46 42.42 1mtb s ILE 54 CO 0.24 -0.81 0.48 -1.59 0.24 0.00 0.00 174.94 173.51 1mtb s LYS 55 N -3.11 4.13 0.18 0.37 0.00 -1.26 -1.54 119.74 118.51 1mtb s LYS 55 Ca -0.01 0.54 0.00 0.00 0.00 0.00 0.00 55.97 56.50 1mtb s LYS 55 Cb 0.02 -3.29 -0.04 0.00 0.00 0.00 0.00 37.83 34.52 1mtb s LYS 55 CO -0.07 0.52 0.06 0.14 0.00 0.00 0.00 175.35 176.00 1mtb s VAL 56 N -0.60 0.34 -0.18 1.79 -7.23 0.98 -4.47 120.40 111.03 1mtb s VAL 56 Ca 0.26 -1.96 -0.07 0.00 -1.81 0.00 0.00 61.98 58.40 1mtb s VAL 56 Cb -0.17 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 1mtb s VAL 56 CO 0.14 -0.32 0.05 -0.13 -0.31 0.00 0.00 175.10 174.54 1mtb s ARG 57 N -4.02 3.92 -0.17 4.82 0.52 0.50 -0.52 118.95 124.00 1mtb s ARG 57 Ca 0.29 -0.35 -0.07 0.00 -0.52 0.00 0.00 55.73 55.08 1mtb s ARG 57 Cb 0.07 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 1mtb s ARG 57 CO 0.06 0.29 0.05 -1.14 0.02 0.00 0.00 175.30 174.58 1mtb s GLN 58 N 0.31 3.88 -0.10 3.54 0.74 0.67 -0.51 119.66 128.18 1mtb s GLN 58 Ca 0.03 -0.36 0.02 0.00 0.05 0.00 0.00 55.36 55.11 1mtb s GLN 58 Cb -0.12 -3.16 0.01 0.00 1.10 0.00 0.00 33.01 30.84 1mtb s GLN 58 CO 0.00 0.32 -0.17 0.71 -0.55 0.00 0.00 175.29 175.60 1mtb s TYR 59 N 0.24 2.04 0.30 1.67 1.51 -0.72 -2.47 117.35 119.92 1mtb s TYR 59 Ca 0.03 -0.92 0.06 0.00 -1.01 0.00 0.00 57.07 55.23 1mtb s TYR 59 Cb -0.12 -1.45 -0.02 0.00 -0.11 0.00 0.00 41.96 40.26 1mtb s TYR 59 CO 0.01 -0.45 0.41 -0.51 -1.11 0.00 0.00 175.55 173.89 1mtb s ASP 60 N 0.83 6.02 -1.60 2.29 1.01 -1.26 -0.43 116.67 123.52 1mtb s ASP 60 Ca -0.10 -0.12 -0.08 0.00 0.71 0.00 0.00 52.55 52.96 1mtb s ASP 60 Cb -0.16 -1.44 0.07 0.00 1.01 0.00 0.00 42.92 42.41 1mtb s ASP 60 CO 0.01 -0.28 0.36 0.00 0.21 0.00 0.00 175.17 175.46 1mtb n GLN 61 N -1.52 -1.90 -3.82 8.23 1.13 -1.23 -4.86 117.38 113.41 1mtb n GLN 61 Ca -0.04 0.23 -0.36 0.00 -1.94 0.00 0.00 57.00 54.89 1mtb n GLN 61 Cb 0.58 -4.31 -0.07 0.00 0.11 0.00 0.00 30.24 26.55 1mtb n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1mtb s ILE 62 N -3.87 5.46 0.17 5.09 1.01 -0.82 -4.74 121.20 123.51 1mtb s ILE 62 Ca 0.29 0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.87 1mtb s ILE 62 Cb -0.16 -3.43 -0.07 0.00 0.01 0.00 0.00 42.46 38.80 1mtb s ILE 62 CO 0.96 0.56 0.97 -2.84 0.00 0.00 0.00 174.94 174.59 1mtb s PRO 63 N -0.57 4.76 0.00 2.79 0.02 -1.26 -1.84 135.00 138.91 1mtb s PRO 63 Ca 0.13 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.65 1mtb s PRO 63 Cb -0.12 -3.32 -0.00 0.00 0.02 0.00 0.00 34.50 31.07 1mtb s PRO 63 CO 0.02 0.33 -0.02 0.08 -0.33 0.00 0.00 177.00 177.09 1mtb s VAL 64 N -0.54 0.11 -0.21 3.83 1.01 0.74 -4.56 120.40 120.78 1mtb s VAL 64 Ca 0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 1mtb s VAL 64 Cb -0.25 -0.13 0.01 0.00 0.00 0.00 0.00 36.38 36.01 1mtb s VAL 64 CO 0.31 -0.08 -0.11 -0.70 0.00 0.00 0.00 175.10 174.52 1mtb s GLU 65 N -0.33 3.12 -0.34 2.72 2.12 -0.77 -0.74 118.70 124.47 1mtb s GLU 65 Ca -0.03 -0.77 -0.03 0.00 0.36 0.00 0.00 54.97 54.51 1mtb s GLU 65 Cb -0.02 -2.82 0.07 0.00 0.26 0.00 0.00 34.13 31.62 1mtb s GLU 65 CO -0.00 -0.24 0.09 0.42 -0.54 0.00 0.00 175.26 174.99 1mtb s ILE 66 N 1.37 3.19 -1.40 -3.70 1.01 0.26 -1.13 121.20 120.81 1mtb s ILE 66 Ca 0.05 -1.60 -0.02 0.00 0.00 0.00 0.00 60.65 59.07 1mtb s ILE 66 Cb -0.14 -2.96 0.02 0.00 0.01 0.00 0.00 42.46 39.38 1mtb s ILE 66 CO -0.08 -0.33 0.59 0.00 0.00 0.00 0.00 174.94 175.13 1mtb n GLY 68 N -1.78 2.87 3.78 0.00 0.00 -1.26 -5.01 105.19 103.78 1mtb n GLY 68 Ca -0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 1mtb n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mtb s HIS 69 N -1.95 3.67 0.09 1.61 4.02 -0.43 -5.05 115.29 117.25 1mtb s HIS 69 Ca 0.00 1.08 -0.15 0.00 1.02 0.00 0.00 55.06 57.01 1mtb s HIS 69 Cb 0.00 -2.50 -0.06 0.00 -1.02 0.00 0.00 32.58 29.00 1mtb s HIS 69 CO 0.00 0.41 0.51 -1.59 1.02 0.00 0.00 174.74 175.09 1mtb s LYS 70 N -0.33 3.99 0.00 1.40 0.00 -1.26 -0.57 119.74 122.97 1mtb s LYS 70 Ca 0.28 0.49 -0.07 0.00 0.00 0.00 0.00 55.97 56.67 1mtb s LYS 70 Cb -0.17 -3.06 -0.00 0.00 0.00 0.00 0.00 37.83 34.59 1mtb s LYS 70 CO 0.15 0.57 0.13 0.00 0.00 0.00 0.00 175.35 176.19 1mtb s ALA 71 N -1.30 -0.30 -0.14 0.59 0.00 0.08 -4.74 121.76 115.95 1mtb s ALA 71 Ca 0.32 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 52.08 1mtb s ALA 71 Cb -0.16 0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.13 1mtb s ALA 71 CO 0.18 -0.21 0.06 0.42 0.00 0.00 0.00 175.76 176.21 1mtb s ILE 72 N -1.41 0.13 0.00 0.00 1.01 -1.26 -0.18 121.20 119.49 1mtb s ILE 72 Ca -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.37 1mtb s ILE 72 Cb -0.08 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.77 1mtb s ILE 72 CO 0.01 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.45 1mtb n GLY 73 N 5.20 1.34 3.76 6.18 0.00 -0.77 -4.80 105.19 116.11 1mtb n GLY 73 Ca -0.07 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 1mtb n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mtb s THR 74 N -2.56 2.93 -0.06 2.61 2.01 -1.26 -1.93 115.64 117.37 1mtb s THR 74 Ca 0.00 0.88 -0.00 0.00 0.31 0.00 0.00 61.69 62.88 1mtb s THR 74 Cb 0.00 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.98 1mtb s THR 74 CO 0.00 0.19 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.40 1mtb s VAL 75 N -0.76 0.52 -0.14 3.82 1.01 0.43 -4.60 120.40 120.69 1mtb s VAL 75 Ca 0.51 -0.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.33 1mtb s VAL 75 Cb -0.38 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 1mtb s VAL 75 CO 0.47 0.26 0.27 -0.76 0.00 0.00 0.00 175.10 175.34 1mtb s LEU 76 N 1.47 4.29 -0.14 3.92 1.43 0.23 -1.76 118.68 128.12 1mtb s LEU 76 Ca -0.02 0.53 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 1mtb s LEU 76 Cb -0.13 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.76 1mtb s LEU 76 CO -0.03 0.18 -0.18 -0.69 0.23 0.00 0.00 176.35 175.85 1mtb s VAL 77 N 0.05 2.43 0.00 -1.59 1.01 0.33 -0.23 120.40 122.40 1mtb s VAL 77 Ca 0.16 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1mtb s VAL 77 Cb -0.13 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.25 1mtb s VAL 77 CO 0.05 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1mtb n GLY 78 N 3.93 1.58 3.53 4.51 0.00 -0.88 -0.37 105.19 117.47 1mtb n GLY 78 Ca -0.19 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 1mtb n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mtb n PRO 79 N 0.00 3.23 -4.61 1.61 -0.04 -1.26 -2.45 135.00 131.48 1mtb n PRO 79 Ca 0.00 -3.37 -0.32 0.00 -0.04 0.00 0.00 63.50 59.77 1mtb n PRO 79 Cb 0.00 -3.40 -0.12 0.00 -0.04 0.00 0.00 33.50 29.95 1mtb n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1mtb s THR 80 N 3.64 3.30 -1.58 0.52 -1.32 -1.26 -5.00 115.64 113.94 1mtb s THR 80 Ca 0.51 -0.86 0.11 0.00 -1.21 0.00 0.00 61.69 60.24 1mtb s THR 80 Cb 0.03 -2.39 0.21 0.00 -1.51 0.00 0.00 72.50 68.84 1mtb s THR 80 CO 0.06 0.43 1.19 -0.81 -2.21 0.00 0.00 174.62 173.28 1mtb n PRO 81 N 1.74 0.20 -3.56 7.08 -0.04 -1.26 -4.76 135.00 134.40 1mtb n PRO 81 Ca -0.16 0.14 -0.06 0.00 -0.04 0.00 0.00 63.50 63.38 1mtb n PRO 81 Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 1mtb n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1mtb s VAL 82 N -2.42 0.00 -0.12 0.52 0.11 -1.26 -5.12 120.40 112.11 1mtb s VAL 82 Ca 0.12 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.90 1mtb s VAL 82 Cb 0.07 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 1mtb s VAL 82 CO 0.15 0.00 0.85 0.20 -3.33 0.00 0.00 175.10 172.97 1mtb s ASN 83 N -2.21 7.05 -0.04 3.54 0.01 -1.26 -4.61 114.94 117.42 1mtb s ASN 83 Ca 0.07 1.29 0.04 0.00 -0.71 0.00 0.00 52.86 53.55 1mtb s ASN 83 Cb -0.01 -2.47 -0.00 0.00 0.41 0.00 0.00 41.25 39.17 1mtb s ASN 83 CO -0.06 -0.33 -0.17 0.27 -1.51 0.00 0.00 177.10 175.31 1mtb s ILE 84 N 1.70 1.40 -0.31 0.60 -5.25 -0.28 -0.92 121.20 118.14 1mtb s ILE 84 Ca 0.41 -0.70 -0.13 0.00 -0.99 0.00 0.00 60.65 59.25 1mtb s ILE 84 Cb -0.18 -1.21 -0.03 0.00 2.95 0.00 0.00 42.46 43.99 1mtb s ILE 84 CO 0.16 0.41 0.26 -0.63 -1.79 0.00 0.00 174.94 173.35 1mtb s ILE 85 N 0.08 5.26 0.60 8.37 -1.09 -0.59 -1.78 121.20 132.05 1mtb s ILE 85 Ca -0.05 0.05 -0.06 0.00 -2.23 0.00 0.00 60.65 58.36 1mtb s ILE 85 Cb -0.12 -3.66 0.13 0.00 -1.58 0.00 0.00 42.46 37.23 1mtb s ILE 85 CO 0.02 0.09 0.82 0.61 -1.23 0.00 0.00 174.94 175.25 1mtb n GLY 86 N 5.02 -0.44 0.27 6.18 0.00 -1.16 -1.80 105.19 113.26 1mtb n GLY 86 Ca -0.12 -1.84 0.15 0.00 0.00 0.00 0.00 46.02 44.21 1mtb n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mtb h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -1.40 -1.46 114.38 116.21 1mtb h ARG 87 Ca -0.27 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 1mtb h ARG 87 Cb 0.83 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1mtb h ARG 87 CO 0.23 0.09 -0.21 -2.95 -1.07 0.00 0.00 179.97 176.06 1mtb h ASN 88 N 0.00 0.00 0.00 7.04 -0.00 -1.83 -2.25 115.58 118.54 1mtb h ASN 88 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.30 56.19 1mtb h ASN 88 Cb 0.37 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.67 1mtb h ASN 88 CO 0.01 0.21 -1.86 0.18 -0.00 0.00 0.00 177.43 175.98 1mtb n LEU 89 N -4.09 0.00 -0.09 6.14 4.77 -0.98 -4.21 117.00 118.55 1mtb n LEU 89 Ca -0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 1mtb n LEU 89 Cb 0.28 0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.55 1mtb n LEU 89 CO 0.35 0.15 0.59 -0.07 -1.33 0.00 0.00 177.39 177.08 1mtb h LEU 90 N 0.00 0.87 -0.93 2.23 3.38 -1.22 -2.88 115.31 116.76 1mtb h LEU 90 Ca -0.16 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 1mtb h LEU 90 Cb 1.21 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 1mtb h LEU 90 CO 0.01 1.13 0.38 0.71 0.09 0.00 0.00 178.44 180.76 1mtb h THR 91 N 0.68 1.25 0.00 0.22 1.35 -1.62 -1.93 112.91 112.87 1mtb h THR 91 Ca 0.07 -0.70 -0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1mtb h THR 91 Cb 0.91 0.22 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1mtb h THR 91 CO 0.08 0.30 -0.01 1.56 -0.25 0.00 0.00 175.52 177.20 1mtb h GLN 92 N 1.14 0.00 -0.54 4.72 4.20 -1.68 -1.42 115.11 121.53 1mtb h GLN 92 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1mtb h GLN 92 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1mtb h GLN 92 CO -0.04 0.01 0.00 0.44 -0.67 0.00 0.00 178.83 178.57 1mtb n ILE 93 N -4.29 2.38 -3.33 2.54 -5.35 -0.93 -4.95 119.36 105.44 1mtb n ILE 93 Ca -0.03 -1.41 -0.22 0.00 -0.27 0.00 0.00 62.75 60.81 1mtb n ILE 93 Cb 0.09 -0.13 0.06 0.00 -1.74 0.00 0.00 39.64 37.92 1mtb n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mtb n GLY 94 N 0.59 -0.48 3.77 3.28 0.00 -0.54 -5.00 105.19 106.82 1mtb n GLY 94 Ca 0.26 0.17 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 1mtb n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mtb s THR 96 N -1.09 0.22 -0.11 0.00 -4.23 -1.26 -4.72 115.64 104.45 1mtb s THR 96 Ca 0.38 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.87 1mtb s THR 96 Cb -0.24 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.02 1mtb s THR 96 CO 0.28 0.00 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.56 1mtb s LEU 97 N -3.23 3.30 0.03 4.79 1.43 -1.26 -5.10 118.68 118.64 1mtb s LEU 97 Ca 0.38 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1mtb s LEU 97 Cb 0.07 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1mtb s LEU 97 CO 0.13 0.28 -0.05 0.20 0.23 0.00 0.00 176.35 177.15 1mtb s ASN 98 N -0.33 0.55 0.00 2.29 0.01 -1.26 -5.29 114.94 110.90 1mtb s ASN 98 Ca 0.05 -0.58 0.00 0.00 -0.71 0.00 0.00 52.86 51.62 1mtb s ASN 98 Cb -0.12 0.08 0.00 0.00 0.41 0.00 0.00 41.25 41.62 1mtb s ASN 98 CO 0.02 -0.29 0.00 2.22 -1.51 0.00 0.00 177.10 177.54