#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwa s GLN 2 N 0.00 2.92 -0.05 -0.52 0.74 -1.26 -5.09 119.66 116.39 1bwa s GLN 2 Ca 0.00 -0.76 0.04 0.00 0.05 0.00 0.00 55.36 54.69 1bwa s GLN 2 Cb 0.00 -2.42 -0.00 0.00 1.10 0.00 0.00 33.01 31.69 1bwa s GLN 2 CO 0.00 0.36 -0.19 0.54 -0.55 0.00 0.00 175.29 175.45 1bwa s VAL 3 N -0.06 1.57 0.35 1.34 0.11 -1.26 -5.11 120.40 117.34 1bwa s VAL 3 Ca -0.04 -0.78 0.07 0.00 -2.93 0.00 0.00 61.98 58.30 1bwa s VAL 3 Cb -0.14 -1.35 -0.02 0.00 -1.53 0.00 0.00 36.38 33.33 1bwa s VAL 3 CO 0.04 0.45 0.37 0.28 -3.33 0.00 0.00 175.10 172.91 1bwa s THR 4 N 0.10 3.59 -0.30 5.04 -1.32 -1.26 -5.03 115.64 116.46 1bwa s THR 4 Ca -0.06 -1.23 0.09 0.00 -1.21 0.00 0.00 61.69 59.28 1bwa s THR 4 Cb -0.13 -3.23 0.54 0.00 -1.51 0.00 0.00 72.50 68.18 1bwa s THR 4 CO 0.03 -0.14 1.54 0.18 -2.21 0.00 0.00 174.62 174.02 1bwa n LEU 5 N -1.50 4.55 0.05 9.08 7.99 -1.26 -4.32 117.00 131.60 1bwa n LEU 5 Ca -0.00 -3.62 0.13 0.00 -0.01 0.00 0.00 56.01 52.51 1bwa n LEU 5 Cb 0.59 -0.66 0.50 0.00 -0.11 0.00 0.00 43.42 43.75 1bwa n LEU 5 CO 0.42 1.13 0.91 0.79 -1.51 0.00 0.00 177.39 179.13 1bwa n TRP 6 N -1.00 0.46 -4.21 -1.77 7.02 -1.26 -4.80 117.44 111.88 1bwa n TRP 6 Ca 0.36 0.14 -0.12 0.00 -1.02 0.00 0.00 57.50 56.85 1bwa n TRP 6 Cb 1.12 -0.72 -0.10 0.00 -2.42 0.00 0.00 31.31 29.19 1bwa n TRP 6 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1bwa s GLN 7 N -3.06 1.00 0.15 -0.99 -0.21 -1.26 -5.10 119.66 110.19 1bwa s GLN 7 Ca 0.12 -1.46 -0.34 0.00 0.02 0.00 0.00 55.36 53.70 1bwa s GLN 7 Cb 0.15 -0.18 -0.16 0.00 1.00 0.00 0.00 33.01 33.83 1bwa s GLN 7 CO 0.54 -0.11 1.28 0.54 -2.12 0.00 0.00 175.29 175.42 1bwa n ARG 8 N -0.16 1.34 -2.58 2.91 5.12 -1.26 -4.84 116.66 117.18 1bwa n ARG 8 Ca -0.08 0.48 -0.41 0.00 -1.93 0.00 0.00 57.85 55.90 1bwa n ARG 8 Cb 0.63 -2.06 -0.03 0.00 -1.16 0.00 0.00 32.46 29.84 1bwa n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1bwa s PRO 9 N -0.02 3.64 0.02 5.56 0.04 -1.26 -4.96 135.00 138.02 1bwa s PRO 9 Ca 0.76 -1.25 -0.01 0.00 0.04 0.00 0.00 61.00 60.54 1bwa s PRO 9 Cb -0.85 -5.36 -0.04 0.00 0.04 0.00 0.00 34.50 28.30 1bwa s PRO 9 CO 0.49 -2.19 0.17 -0.51 0.04 0.00 0.00 177.00 175.00 1bwa s LEU 10 N 4.77 4.26 0.06 -3.56 1.43 -1.26 -1.21 118.68 123.16 1bwa s LEU 10 Ca 0.46 0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 53.83 1bwa s LEU 10 Cb 0.00 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 1bwa s LEU 10 CO -0.08 0.23 -0.04 0.54 0.23 0.00 0.00 176.35 177.23 1bwa s VAL 11 N -1.37 0.30 -0.04 -1.59 0.11 0.81 -4.93 120.40 113.68 1bwa s VAL 11 Ca 0.29 -1.73 -0.19 0.00 -2.93 0.00 0.00 61.98 57.42 1bwa s VAL 11 Cb -0.13 -1.41 -0.05 0.00 -1.53 0.00 0.00 36.38 33.26 1bwa s VAL 11 CO 0.21 -0.92 0.52 -0.89 -3.33 0.00 0.00 175.10 170.69 1bwa s THR 12 N -3.59 5.03 0.11 5.04 2.01 -1.26 -1.07 115.64 121.92 1bwa s THR 12 Ca 0.05 1.06 0.10 0.00 0.31 0.00 0.00 61.69 63.22 1bwa s THR 12 Cb 0.05 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1bwa s THR 12 CO -0.08 0.42 -0.26 0.27 -0.69 0.00 0.00 174.62 174.28 1bwa s ILE 13 N -0.07 2.16 -0.17 1.82 -4.36 -0.43 -0.61 121.20 119.54 1bwa s ILE 13 Ca 0.28 -1.66 -0.01 0.00 -0.26 0.00 0.00 60.65 58.99 1bwa s ILE 13 Cb -0.17 -1.90 -0.01 0.00 1.25 0.00 0.00 42.46 41.63 1bwa s ILE 13 CO 0.14 0.12 -0.11 -0.75 0.24 0.00 0.00 174.94 174.58 1bwa s LYS 14 N -1.89 3.33 -0.03 0.37 2.20 -0.05 -0.72 119.74 122.95 1bwa s LYS 14 Ca 0.13 -0.68 -0.00 0.00 -0.36 0.00 0.00 55.97 55.05 1bwa s LYS 14 Cb -0.10 -2.76 0.03 0.00 -1.51 0.00 0.00 37.83 33.49 1bwa s LYS 14 CO 0.05 0.01 0.02 0.42 -0.36 0.00 0.00 175.35 175.49 1bwa s ILE 15 N 0.89 0.01 -1.50 5.43 1.09 0.76 -1.68 121.20 126.20 1bwa s ILE 15 Ca -0.03 0.20 -0.01 0.00 -1.10 0.00 0.00 60.65 59.71 1bwa s ILE 15 Cb -0.15 -0.15 0.00 0.00 -1.06 0.00 0.00 42.46 41.10 1bwa s ILE 15 CO -0.00 0.12 0.11 0.61 -0.10 0.00 0.00 174.94 175.68 1bwa n GLY 16 N 4.30 -0.37 2.46 6.18 0.00 -1.26 -0.19 105.19 116.31 1bwa n GLY 16 Ca -0.25 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1bwa n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwa n GLY 17 N -1.10 0.40 3.53 -0.02 0.00 -1.26 -5.00 105.19 101.73 1bwa n GLY 17 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1bwa n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bwa s GLN 18 N -0.57 2.14 -0.16 1.61 -0.21 0.74 -5.10 119.66 118.11 1bwa s GLN 18 Ca 0.00 -0.97 -0.07 0.00 0.02 0.00 0.00 55.36 54.34 1bwa s GLN 18 Cb 0.00 -2.28 -0.04 0.00 1.00 0.00 0.00 33.01 31.69 1bwa s GLN 18 CO 0.00 0.53 0.09 -0.51 -2.12 0.00 0.00 175.29 173.28 1bwa s LEU 19 N -1.78 3.99 0.37 2.90 1.43 -1.26 -0.17 118.68 124.16 1bwa s LEU 19 Ca 0.18 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 1bwa s LEU 19 Cb -0.11 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1bwa s LEU 19 CO 0.09 0.25 0.09 -0.54 0.23 0.00 0.00 176.35 176.46 1bwa s LYS 20 N -0.05 1.78 0.26 1.70 -0.14 0.11 -5.00 119.74 118.40 1bwa s LYS 20 Ca 0.08 -2.04 0.11 0.00 -1.36 0.00 0.00 55.97 52.75 1bwa s LYS 20 Cb -0.12 -0.76 -0.05 0.00 -1.68 0.00 0.00 37.83 35.23 1bwa s LYS 20 CO 0.01 -0.33 -0.13 -1.83 -0.76 0.00 0.00 175.35 172.31 1bwa s GLU 21 N -3.82 1.89 0.13 1.68 -1.05 -1.26 -1.31 118.70 114.96 1bwa s GLU 21 Ca 0.30 -1.60 -0.11 0.00 -0.15 0.00 0.00 54.97 53.40 1bwa s GLU 21 Cb 0.06 -1.93 0.01 0.00 -0.44 0.00 0.00 34.13 31.83 1bwa s GLU 21 CO 0.14 0.35 0.30 0.00 0.95 0.00 0.00 175.26 177.01 1bwa s ALA 22 N -2.32 -0.37 -0.17 -0.84 0.00 -0.23 -4.58 121.76 113.25 1bwa s ALA 22 Ca 0.29 -0.55 -0.10 0.00 0.00 0.00 0.00 51.96 51.60 1bwa s ALA 22 Cb -0.06 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.71 1bwa s ALA 22 CO 0.16 -0.62 0.17 -1.17 0.00 0.00 0.00 175.76 174.30 1bwa s LEU 23 N -2.89 4.26 -0.37 0.00 2.96 -0.42 -0.13 118.68 122.09 1bwa s LEU 23 Ca 0.09 0.35 -0.28 0.00 -0.22 0.00 0.00 54.13 54.07 1bwa s LEU 23 Cb 0.03 -2.14 0.02 0.00 0.50 0.00 0.00 46.19 44.60 1bwa s LEU 23 CO -0.07 0.22 1.03 -0.76 -1.32 0.00 0.00 176.35 175.46 1bwa s LEU 24 N 0.03 3.89 -0.34 -0.68 1.43 -0.35 -0.60 118.68 122.05 1bwa s LEU 24 Ca 0.11 0.74 0.03 0.00 -1.03 0.00 0.00 54.13 53.98 1bwa s LEU 24 Cb -0.12 -3.44 0.10 0.00 0.03 0.00 0.00 46.19 42.77 1bwa s LEU 24 CO 0.01 -0.96 0.07 -0.62 0.23 0.00 0.00 176.35 175.08 1bwa s ASP 25 N 1.92 4.59 0.51 2.29 -1.08 0.35 -4.84 116.67 120.42 1bwa s ASP 25 Ca 0.43 -2.11 0.34 0.00 -0.52 0.00 0.00 52.55 50.69 1bwa s ASP 25 Cb -0.11 -1.48 1.63 0.00 -1.46 0.00 0.00 42.92 41.50 1bwa s ASP 25 CO 0.20 -0.38 2.03 0.71 0.52 0.00 0.00 175.17 178.25 1bwa h THR 26 N 6.51 0.00 -0.02 1.71 1.35 -1.94 -2.53 112.91 117.99 1bwa h THR 26 Ca -0.06 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1bwa h THR 26 Cb 1.01 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1bwa h THR 26 CO 0.52 0.00 -0.03 0.61 -0.25 0.00 0.00 175.52 176.36 1bwa n GLY 27 N -0.49 0.40 3.67 5.82 0.00 -1.26 -4.78 105.19 108.55 1bwa n GLY 27 Ca -0.01 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 1bwa n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwa s ALA 28 N -2.05 3.60 0.17 4.61 0.00 -0.95 -4.95 121.76 122.19 1bwa s ALA 28 Ca 0.32 -0.71 -0.04 0.00 0.00 0.00 0.00 51.96 51.53 1bwa s ALA 28 Cb 0.20 -2.43 0.05 0.00 0.00 0.00 0.00 23.12 20.94 1bwa s ALA 28 CO 0.34 -0.18 1.45 -0.44 0.00 0.00 0.00 175.76 176.92 1bwa h ASP 29 N 7.34 0.62 -2.08 0.00 3.32 -1.89 0.18 116.42 123.91 1bwa h ASP 29 Ca -0.38 -0.37 -0.60 0.00 0.02 0.00 0.00 57.03 55.71 1bwa h ASP 29 Cb 1.17 -0.18 -0.12 0.00 0.22 0.00 0.00 39.33 40.41 1bwa h ASP 29 CO 0.69 1.10 -0.68 -1.81 -1.72 0.00 0.00 179.24 176.82 1bwa s ASP 30 N -6.97 3.95 -0.11 6.45 1.01 -1.26 -2.60 116.67 117.14 1bwa s ASP 30 Ca -0.07 -0.98 -0.17 0.00 0.71 0.00 0.00 52.55 52.04 1bwa s ASP 30 Cb 0.11 -0.47 -0.04 0.00 1.01 0.00 0.00 42.92 43.52 1bwa s ASP 30 CO 0.85 -0.09 0.44 -0.89 0.21 0.00 0.00 175.17 175.69 1bwa s THR 31 N -2.50 5.18 -0.05 -1.27 2.01 -1.26 -3.73 115.64 114.03 1bwa s THR 31 Ca 0.32 0.87 0.03 0.00 0.31 0.00 0.00 61.69 63.22 1bwa s THR 31 Cb -0.02 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.72 1bwa s THR 31 CO 0.17 0.37 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.65 1bwa s VAL 32 N 0.38 1.15 0.14 3.82 1.01 -0.65 -1.64 120.40 124.62 1bwa s VAL 32 Ca 0.24 -0.53 0.11 0.00 0.00 0.00 0.00 61.98 61.80 1bwa s VAL 32 Cb -0.15 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1bwa s VAL 32 CO 0.10 0.35 -0.25 -0.76 0.00 0.00 0.00 175.10 174.54 1bwa s LEU 33 N 0.37 2.35 0.97 3.92 1.43 0.11 -0.84 118.68 126.99 1bwa s LEU 33 Ca -0.09 -0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 52.12 1bwa s LEU 33 Cb -0.13 -1.14 0.17 0.00 0.03 0.00 0.00 46.19 45.13 1bwa s LEU 33 CO 0.03 0.14 1.09 -0.70 0.23 0.00 0.00 176.35 177.13 1bwa s GLU 34 N -2.23 0.62 0.20 1.70 -6.30 -1.26 -0.72 118.70 110.71 1bwa s GLU 34 Ca 0.15 0.66 -0.32 0.00 -2.50 0.00 0.00 54.97 52.96 1bwa s GLU 34 Cb -0.09 -1.75 -0.15 0.00 0.00 0.00 0.00 34.13 32.14 1bwa s GLU 34 CO 0.07 -2.64 1.29 0.39 0.02 0.00 0.00 175.26 174.38 1bwa n GLU 35 N -4.13 1.57 -3.60 4.30 -0.58 -1.20 -4.44 120.64 112.55 1bwa n GLU 35 Ca 0.06 0.56 -0.13 0.00 -0.42 0.00 0.00 57.16 57.22 1bwa n GLU 35 Cb 0.56 -2.14 -0.07 0.00 -0.57 0.00 0.00 31.44 29.23 1bwa n GLU 35 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1bwa s MET 36 N -0.34 0.79 -0.53 3.49 1.75 -1.26 -5.02 119.30 118.17 1bwa s MET 36 Ca 0.71 0.63 -0.28 0.00 -1.25 0.00 0.00 55.69 55.51 1bwa s MET 36 Cb -0.76 0.38 0.01 0.00 2.84 0.00 0.00 34.83 37.30 1bwa s MET 36 CO 0.51 -0.16 1.48 -1.54 -0.65 0.00 0.00 175.02 174.66 1bwa s SER 37 N -0.20 6.06 -0.07 1.11 1.04 -1.26 -4.97 113.70 115.41 1bwa s SER 37 Ca -0.02 0.41 0.03 0.00 0.48 0.00 0.00 55.95 56.85 1bwa s SER 37 Cb -0.03 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.52 1bwa s SER 37 CO 0.02 -1.74 -0.14 -0.76 0.98 0.00 0.00 173.24 171.60 1bwa s LEU 38 N 6.30 2.72 0.64 2.42 1.43 -1.26 -5.00 118.68 125.93 1bwa s LEU 38 Ca 0.56 -0.23 -0.13 0.00 -1.03 0.00 0.00 54.13 53.30 1bwa s LEU 38 Cb -0.12 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1bwa s LEU 38 CO 0.26 0.30 1.05 -2.16 0.23 0.00 0.00 176.35 176.03 1bwa s PRO 39 N -0.47 3.19 0.00 1.29 0.04 -1.26 -4.96 135.00 132.84 1bwa s PRO 39 Ca 0.06 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.14 1bwa s PRO 39 Cb -0.12 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1bwa s PRO 39 CO 0.02 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 176.57 1bwa n GLY 40 N -1.59 -0.19 3.88 0.56 0.00 -1.26 -5.02 105.19 101.57 1bwa n GLY 40 Ca 0.08 -2.26 -0.30 0.00 0.00 0.00 0.00 46.02 43.54 1bwa n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1bwa s ARG 41 N -0.03 3.74 0.03 1.61 1.04 -1.26 -5.08 118.95 118.99 1bwa s ARG 41 Ca 0.00 0.46 -0.27 0.00 -1.04 0.00 0.00 55.73 54.87 1bwa s ARG 41 Cb 0.00 -2.37 0.07 0.00 -2.04 0.00 0.00 34.95 30.61 1bwa s ARG 41 CO 0.00 -0.09 0.63 1.67 -0.04 0.00 0.00 175.30 177.47 1bwa s TRP 42 N -2.46 -0.58 -0.08 5.89 1.48 -1.26 -4.67 118.94 117.25 1bwa s TRP 42 Ca 0.51 0.79 0.02 0.00 -1.06 0.00 0.00 56.10 56.36 1bwa s TRP 42 Cb -0.10 0.44 -0.02 0.00 -1.16 0.00 0.00 33.47 32.62 1bwa s TRP 42 CO 0.34 -0.68 -0.13 0.15 -4.06 0.00 0.00 176.95 172.57 1bwa s LYS 43 N -2.12 2.83 0.23 3.25 1.02 -0.83 -4.89 119.74 119.23 1bwa s LYS 43 Ca -0.07 -0.68 -0.30 0.00 0.02 0.00 0.00 55.97 54.94 1bwa s LYS 43 Cb -0.00 -2.48 -0.09 0.00 -0.52 0.00 0.00 37.83 34.74 1bwa s LYS 43 CO 0.02 0.48 1.19 -1.25 -0.92 0.00 0.00 175.35 174.87 1bwa s PRO 44 N -0.36 4.51 0.23 -1.68 0.04 -1.26 0.01 135.00 136.49 1bwa s PRO 44 Ca 0.04 1.92 -0.05 0.00 0.04 0.00 0.00 61.00 62.95 1bwa s PRO 44 Cb -0.12 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 1bwa s PRO 44 CO 0.02 -0.03 0.29 -1.59 0.04 0.00 0.00 177.00 175.73 1bwa s LYS 45 N -0.76 1.41 0.06 4.56 -2.85 0.11 -4.89 119.74 117.38 1bwa s LYS 45 Ca 0.50 -1.53 0.09 0.00 -1.00 0.00 0.00 55.97 54.03 1bwa s LYS 45 Cb -0.34 0.36 -0.03 0.00 -2.06 0.00 0.00 37.83 35.76 1bwa s LYS 45 CO 0.40 -0.52 -0.24 -1.64 0.10 0.00 0.00 175.35 173.44 1bwa s MET 46 N -3.98 1.57 0.24 1.78 -1.94 -1.26 0.51 119.30 116.21 1bwa s MET 46 Ca 0.33 -1.10 0.06 0.00 -1.71 0.00 0.00 55.69 53.27 1bwa s MET 46 Cb 0.03 -1.78 -0.05 0.00 2.01 0.00 0.00 34.83 35.04 1bwa s MET 46 CO 0.12 0.45 -0.07 0.96 -0.01 0.00 0.00 175.02 176.47 1bwa s ILE 47 N -0.86 1.48 0.25 2.53 -4.36 -0.51 -4.93 121.20 114.80 1bwa s ILE 47 Ca 0.10 -2.12 0.08 0.00 -0.26 0.00 0.00 60.65 58.45 1bwa s ILE 47 Cb -0.10 -2.27 -0.04 0.00 1.25 0.00 0.00 42.46 41.31 1bwa s ILE 47 CO 0.03 -0.42 0.11 -0.83 0.24 0.00 0.00 174.94 174.07 1bwa s GLY 48 N -3.35 1.52 0.00 6.27 0.00 -1.26 -0.80 107.32 109.69 1bwa s GLY 48 Ca 0.26 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.49 1bwa s GLY 48 CO 0.09 -1.54 0.00 0.61 0.00 0.00 0.00 173.10 172.26 1bwa n GLY 49 N -1.00 3.76 3.75 0.20 0.00 0.91 -4.97 105.19 107.84 1bwa n GLY 49 Ca -0.07 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 1bwa n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bwa s ILE 50 N -2.11 4.18 0.00 -0.61 1.01 -1.26 -3.16 121.20 119.25 1bwa s ILE 50 Ca 0.00 2.05 0.00 0.00 0.00 0.00 0.00 60.65 62.70 1bwa s ILE 50 Cb 0.00 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.16 1bwa s ILE 50 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.02 1bwa n GLY 51 N 1.64 2.73 0.00 6.18 0.00 -1.26 -4.98 105.19 109.51 1bwa n GLY 51 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1bwa n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwa n GLY 52 N -0.44 0.49 3.57 -0.02 0.00 -1.19 -5.10 105.19 102.50 1bwa n GLY 52 Ca 0.00 -1.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.17 1bwa n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bwa s PHE 53 N -3.09 2.56 0.00 1.61 0.40 -1.26 -0.06 117.98 118.14 1bwa s PHE 53 Ca 0.00 -0.25 -0.02 0.00 -0.60 0.00 0.00 56.93 56.06 1bwa s PHE 53 Cb 0.00 -1.17 -0.01 0.00 0.51 0.00 0.00 43.02 42.36 1bwa s PHE 53 CO 0.00 0.61 0.03 0.96 0.70 0.00 0.00 175.22 177.52 1bwa s ILE 54 N -2.17 0.07 0.03 0.64 -4.36 0.02 -4.95 121.20 110.47 1bwa s ILE 54 Ca 0.29 -0.58 -0.13 0.00 -0.26 0.00 0.00 60.65 59.97 1bwa s ILE 54 Cb -0.07 -0.23 -0.06 0.00 1.25 0.00 0.00 42.46 43.35 1bwa s ILE 54 CO 0.17 -0.32 0.41 -0.54 0.24 0.00 0.00 174.94 174.90 1bwa s LYS 55 N -0.97 3.88 0.10 0.37 1.02 -1.26 -1.42 119.74 121.45 1bwa s LYS 55 Ca -0.11 0.36 -0.08 0.00 0.02 0.00 0.00 55.97 56.16 1bwa s LYS 55 Cb -0.06 -3.15 -0.01 0.00 -0.52 0.00 0.00 37.83 34.09 1bwa s LYS 55 CO -0.00 0.65 0.18 0.54 -0.92 0.00 0.00 175.35 175.80 1bwa s VAL 56 N -1.18 0.14 -0.12 3.17 0.11 0.18 -4.51 120.40 118.19 1bwa s VAL 56 Ca 0.27 -1.27 -0.02 0.00 -2.93 0.00 0.00 61.98 58.02 1bwa s VAL 56 Cb -0.16 -1.43 -0.03 0.00 -1.53 0.00 0.00 36.38 33.23 1bwa s VAL 56 CO 0.15 -0.63 -0.05 -0.13 -3.33 0.00 0.00 175.10 171.10 1bwa s ARG 57 N -3.88 3.33 -0.22 1.54 0.52 -0.39 0.06 118.95 119.90 1bwa s ARG 57 Ca 0.07 -0.53 -0.11 0.00 -0.52 0.00 0.00 55.73 54.64 1bwa s ARG 57 Cb 0.05 -2.79 -0.05 0.00 0.52 0.00 0.00 34.95 32.68 1bwa s ARG 57 CO -0.09 0.40 0.18 -1.14 0.02 0.00 0.00 175.30 174.67 1bwa s GLN 58 N -0.08 4.11 -0.15 3.54 0.74 0.10 -1.01 119.66 126.92 1bwa s GLN 58 Ca 0.01 -0.20 -0.02 0.00 0.05 0.00 0.00 55.36 55.21 1bwa s GLN 58 Cb -0.13 -3.51 -0.02 0.00 1.10 0.00 0.00 33.01 30.45 1bwa s GLN 58 CO 0.03 0.11 -0.09 0.71 -0.55 0.00 0.00 175.29 175.50 1bwa s TYR 59 N 0.90 2.90 0.37 1.67 1.51 0.33 -1.97 117.35 123.06 1bwa s TYR 59 Ca 0.09 -0.56 0.07 0.00 -1.01 0.00 0.00 57.07 55.66 1bwa s TYR 59 Cb -0.13 -1.91 -0.00 0.00 -0.11 0.00 0.00 41.96 39.81 1bwa s TYR 59 CO 0.03 -0.19 0.52 -0.51 -1.11 0.00 0.00 175.55 174.29 1bwa s ASP 60 N 0.47 5.84 -1.65 2.29 1.11 -1.26 -1.61 116.67 121.85 1bwa s ASP 60 Ca -0.07 -0.26 -0.17 0.00 0.18 0.00 0.00 52.55 52.23 1bwa s ASP 60 Cb -0.15 -1.02 0.13 0.00 1.07 0.00 0.00 42.92 42.96 1bwa s ASP 60 CO 0.04 -0.57 0.84 1.67 1.18 0.00 0.00 175.17 178.32 1bwa n GLN 61 N -1.74 -3.84 -3.55 8.23 -0.06 -1.06 -4.89 117.38 110.47 1bwa n GLN 61 Ca 0.03 0.44 -0.37 0.00 -2.00 0.00 0.00 57.00 55.10 1bwa n GLN 61 Cb 0.58 -5.20 -0.06 0.00 -4.06 0.00 0.00 30.24 21.50 1bwa n GLN 61 CO 0.00 0.00 0.00 -1.50 -0.20 0.00 0.00 177.06 175.36 1bwa s ILE 62 N -3.31 5.21 0.07 1.69 2.07 0.54 -4.75 121.20 122.72 1bwa s ILE 62 Ca 0.70 0.66 -0.30 0.00 -1.41 0.00 0.00 60.65 60.30 1bwa s ILE 62 Cb -0.37 -3.65 -0.05 0.00 0.13 0.00 0.00 42.46 38.52 1bwa s ILE 62 CO 0.90 0.49 0.97 -0.22 -1.91 0.00 0.00 174.94 175.17 1bwa s LEU 63 N -0.34 4.45 0.03 8.50 0.20 -1.26 -1.11 118.68 129.14 1bwa s LEU 63 Ca 0.20 1.74 0.03 0.00 0.69 0.00 0.00 54.13 56.79 1bwa s LEU 63 Cb -0.15 -3.58 -0.02 0.00 -0.43 0.00 0.00 46.19 42.02 1bwa s LEU 63 CO 0.08 -0.15 -0.09 -0.51 -0.29 0.00 0.00 176.35 175.40 1bwa s ILE 64 N 0.42 0.65 -0.22 6.68 2.07 0.03 -4.51 121.20 126.32 1bwa s ILE 64 Ca 0.49 -0.80 -0.01 0.00 -1.41 0.00 0.00 60.65 58.91 1bwa s ILE 64 Cb -0.22 -0.64 0.02 0.00 0.13 0.00 0.00 42.46 41.75 1bwa s ILE 64 CO 0.29 -0.13 -0.10 -1.61 -1.91 0.00 0.00 174.94 171.48 1bwa s GLU 65 N -1.03 3.02 -0.26 3.50 2.02 -0.68 -1.24 118.70 124.03 1bwa s GLU 65 Ca -0.03 -0.84 -0.04 0.00 0.02 0.00 0.00 54.97 54.08 1bwa s GLU 65 Cb -0.07 -2.86 0.02 0.00 0.10 0.00 0.00 34.13 31.31 1bwa s GLU 65 CO 0.00 -0.29 -0.01 0.42 0.02 0.00 0.00 175.26 175.40 1bwa s ILE 66 N 1.35 3.29 -1.51 -1.63 1.01 0.61 -0.88 121.20 123.44 1bwa s ILE 66 Ca 0.03 -0.87 -0.14 0.00 0.00 0.00 0.00 60.65 59.67 1bwa s ILE 66 Cb -0.15 -2.67 0.12 0.00 0.01 0.00 0.00 42.46 39.77 1bwa s ILE 66 CO -0.07 0.18 0.71 0.00 0.00 0.00 0.00 174.94 175.76 1bwa n GLY 68 N -1.35 2.38 3.73 0.00 0.00 -1.26 -4.99 105.19 103.71 1bwa n GLY 68 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1bwa n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bwa s HIS 69 N -2.48 3.60 0.19 1.61 4.02 0.38 -5.01 115.29 117.60 1bwa s HIS 69 Ca 0.00 1.16 -0.16 0.00 1.02 0.00 0.00 55.06 57.08 1bwa s HIS 69 Cb 0.00 -2.69 -0.08 0.00 -1.02 0.00 0.00 32.58 28.80 1bwa s HIS 69 CO 0.00 0.19 0.62 0.15 1.02 0.00 0.00 174.74 176.73 1bwa s LYS 70 N 0.42 4.07 0.13 1.40 1.02 -1.26 -0.29 119.74 125.23 1bwa s LYS 70 Ca 0.33 0.62 -0.14 0.00 0.02 0.00 0.00 55.97 56.80 1bwa s LYS 70 Cb -0.17 -2.87 0.03 0.00 -0.52 0.00 0.00 37.83 34.29 1bwa s LYS 70 CO 0.16 0.42 0.37 0.00 -0.92 0.00 0.00 175.35 175.38 1bwa s ALA 71 N -1.53 -0.75 -0.05 5.17 0.00 -0.38 -4.91 121.76 119.31 1bwa s ALA 71 Ca 0.41 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.18 1bwa s ALA 71 Cb -0.15 0.68 0.01 0.00 0.00 0.00 0.00 23.12 23.66 1bwa s ALA 71 CO 0.20 -0.64 -0.13 0.42 0.00 0.00 0.00 175.76 175.61 1bwa s ILE 72 N -3.83 1.16 0.00 0.00 1.01 -1.26 -0.79 121.20 117.49 1bwa s ILE 72 Ca 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1bwa s ILE 72 Cb 0.02 -1.03 0.00 0.00 0.01 0.00 0.00 42.46 41.46 1bwa s ILE 72 CO -0.10 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.80 1bwa n GLY 73 N 3.53 2.07 3.75 6.18 0.00 -0.27 -4.87 105.19 115.58 1bwa n GLY 73 Ca -0.21 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.83 1bwa n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwa s THR 74 N -2.09 4.88 0.11 2.61 2.01 -1.26 -0.34 115.64 121.56 1bwa s THR 74 Ca 0.00 1.40 0.09 0.00 0.31 0.00 0.00 61.69 63.49 1bwa s THR 74 Cb 0.00 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 1bwa s THR 74 CO 0.00 0.37 -0.23 0.68 -0.69 0.00 0.00 174.62 174.74 1bwa s VAL 75 N 0.04 1.94 -0.08 3.82 -7.23 -0.64 -4.54 120.40 113.72 1bwa s VAL 75 Ca 0.34 -1.62 0.01 0.00 -1.81 0.00 0.00 61.98 58.91 1bwa s VAL 75 Cb -0.19 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 1bwa s VAL 75 CO 0.19 0.01 -0.10 -0.76 -0.31 0.00 0.00 175.10 174.14 1bwa s LEU 76 N -1.94 2.99 -0.03 1.32 1.02 -0.65 -0.51 118.68 120.88 1bwa s LEU 76 Ca 0.10 -0.13 0.06 0.00 0.02 0.00 0.00 54.13 54.18 1bwa s LEU 76 Cb -0.10 -1.65 -0.01 0.00 0.02 0.00 0.00 46.19 44.45 1bwa s LEU 76 CO 0.05 0.31 -0.20 -0.69 0.02 0.00 0.00 176.35 175.84 1bwa s VAL 77 N -0.51 1.57 -0.92 -1.59 1.01 -0.18 0.05 120.40 119.83 1bwa s VAL 77 Ca 0.07 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1bwa s VAL 77 Cb -0.12 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.94 1bwa s VAL 77 CO 0.02 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1bwa n GLY 78 N 2.79 -1.32 2.65 4.51 0.00 0.10 -1.27 105.19 112.66 1bwa n GLY 78 Ca -0.16 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 1bwa n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bwa n PRO 79 N -0.06 2.87 -3.16 1.61 -0.04 -1.26 -3.26 135.00 131.70 1bwa n PRO 79 Ca 0.00 -2.32 -0.31 0.00 -0.04 0.00 0.00 63.50 60.82 1bwa n PRO 79 Cb 0.00 -3.06 -0.05 0.00 -0.04 0.00 0.00 33.50 30.36 1bwa n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1bwa s THR 80 N 3.15 4.82 0.24 0.52 -1.32 -1.26 -4.97 115.64 116.81 1bwa s THR 80 Ca 0.54 0.63 0.26 0.00 -1.21 0.00 0.00 61.69 61.91 1bwa s THR 80 Cb 0.15 -3.66 0.26 0.00 -1.51 0.00 0.00 72.50 67.74 1bwa s THR 80 CO -0.05 -0.26 1.93 -0.65 -2.21 0.00 0.00 174.62 173.37 1bwa h PRO 81 N 1.99 0.00 -2.78 7.08 0.11 -1.98 -3.43 132.00 132.98 1bwa h PRO 81 Ca -0.47 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 1bwa h PRO 81 Cb 1.18 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.09 1bwa h PRO 81 CO 0.66 0.18 -0.17 0.12 -0.21 0.00 0.00 178.00 178.57 1bwa s PHE 82 N -3.84 -0.31 -0.03 0.65 5.36 -1.26 -5.07 117.98 113.49 1bwa s PHE 82 Ca -0.01 0.55 -0.30 0.00 -0.96 0.00 0.00 56.93 56.21 1bwa s PHE 82 Cb 0.11 0.17 -0.04 0.00 -0.34 0.00 0.00 43.02 42.92 1bwa s PHE 82 CO 0.61 -0.41 1.15 -0.80 -1.46 0.00 0.00 175.22 174.31 1bwa s ASN 83 N -1.10 7.12 -0.03 6.13 0.01 -1.26 -4.70 114.94 121.10 1bwa s ASN 83 Ca -0.11 1.81 0.06 0.00 -0.71 0.00 0.00 52.86 53.91 1bwa s ASN 83 Cb -0.04 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 1bwa s ASN 83 CO 0.05 -0.50 -0.21 0.68 -1.51 0.00 0.00 177.10 175.60 1bwa s VAL 84 N 1.77 1.71 -0.27 1.60 -7.23 -0.02 -1.30 120.40 116.65 1bwa s VAL 84 Ca 0.55 -0.90 -0.08 0.00 -1.81 0.00 0.00 61.98 59.73 1bwa s VAL 84 Cb -0.25 -1.43 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 1bwa s VAL 84 CO 0.24 0.48 0.11 -0.63 -0.31 0.00 0.00 175.10 174.99 1bwa s ILE 85 N -0.34 4.48 0.39 -0.62 -1.09 0.23 -1.63 121.20 122.62 1bwa s ILE 85 Ca 0.04 -0.25 0.05 0.00 -2.23 0.00 0.00 60.65 58.26 1bwa s ILE 85 Cb -0.10 -3.17 0.05 0.00 -1.58 0.00 0.00 42.46 37.66 1bwa s ILE 85 CO 0.00 0.23 0.42 0.61 -1.23 0.00 0.00 174.94 174.97 1bwa n GLY 86 N 4.95 2.39 0.33 6.18 0.00 -1.24 -0.50 105.19 117.30 1bwa n GLY 86 Ca -0.15 -2.23 0.17 0.00 0.00 0.00 0.00 46.02 43.81 1bwa n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bwa h ARG 87 N 0.00 0.00 -0.33 1.61 3.08 -0.56 -1.10 114.38 117.08 1bwa h ARG 87 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1bwa h ARG 87 Cb 0.87 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 1bwa h ARG 87 CO 0.32 0.00 0.21 -2.95 -1.07 0.00 0.00 179.97 176.48 1bwa h ASN 88 N 0.00 0.38 0.26 7.04 -1.07 -1.76 -2.13 115.58 118.30 1bwa h ASN 88 Ca 0.07 -0.01 -0.12 0.00 0.07 0.00 0.00 56.30 56.31 1bwa h ASN 88 Cb 0.41 -0.09 -0.02 0.00 -2.07 0.00 0.00 38.32 36.54 1bwa h ASN 88 CO -0.00 0.28 -1.85 0.18 0.07 0.00 0.00 177.43 176.11 1bwa n LEU 89 N -4.48 0.28 0.23 6.14 4.77 -0.48 -4.24 117.00 119.22 1bwa n LEU 89 Ca 0.02 0.12 0.08 0.00 -0.03 0.00 0.00 56.01 56.20 1bwa n LEU 89 Cb 0.07 0.12 0.57 0.00 -2.33 0.00 0.00 43.42 41.86 1bwa n LEU 89 CO 0.35 0.12 0.90 -0.07 -1.33 0.00 0.00 177.39 177.36 1bwa h LEU 90 N 0.00 0.00 -0.78 2.23 3.38 -1.05 -0.90 115.31 118.20 1bwa h LEU 90 Ca -0.16 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1bwa h LEU 90 Cb 1.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1bwa h LEU 90 CO 0.02 0.19 -0.45 0.71 0.09 0.00 0.00 178.44 179.00 1bwa h THR 91 N 0.00 1.00 0.01 0.22 1.35 -1.57 0.56 112.91 114.48 1bwa h THR 91 Ca -0.00 -1.76 -0.20 0.00 -0.55 0.00 0.00 66.41 63.90 1bwa h THR 91 Cb 0.41 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 1bwa h THR 91 CO 0.03 0.44 -0.89 1.56 -0.25 0.00 0.00 175.52 176.40 1bwa h GLN 92 N 0.00 0.14 -0.12 4.72 4.20 -1.37 -2.64 115.11 120.05 1bwa h GLN 92 Ca -0.00 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1bwa h GLN 92 Cb 1.01 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1bwa h GLN 92 CO 0.06 0.94 0.00 0.44 -0.67 0.00 0.00 178.83 179.60 1bwa n ILE 93 N -3.61 0.15 -1.97 2.54 -5.35 -1.02 -4.90 119.36 105.20 1bwa n ILE 93 Ca -0.03 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 1bwa n ILE 93 Cb 0.82 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 1bwa n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bwa n GLY 94 N 1.08 0.51 3.74 3.28 0.00 -0.99 -4.98 105.19 107.81 1bwa n GLY 94 Ca 0.16 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 1bwa n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwa s THR 96 N 0.23 1.68 -0.09 0.00 -1.32 -1.26 -4.75 115.64 110.12 1bwa s THR 96 Ca 0.38 -2.19 0.01 0.00 -1.21 0.00 0.00 61.69 58.68 1bwa s THR 96 Cb -0.19 -2.10 -0.02 0.00 -1.51 0.00 0.00 72.50 68.67 1bwa s THR 96 CO 0.21 -0.55 -0.11 -0.22 -2.21 0.00 0.00 174.62 171.74 1bwa s LEU 97 N -3.33 2.88 -0.03 9.08 2.96 -1.26 -5.09 118.68 123.89 1bwa s LEU 97 Ca 0.23 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 1bwa s LEU 97 Cb 0.00 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 45.07 1bwa s LEU 97 CO 0.07 0.27 -0.07 0.20 -1.32 0.00 0.00 176.35 175.51 1bwa s ASN 98 N -0.28 1.00 0.00 3.68 0.01 -1.26 -5.29 114.94 112.80 1bwa s ASN 98 Ca 0.03 -0.15 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 1bwa s ASN 98 Cb -0.13 -0.31 0.00 0.00 0.41 0.00 0.00 41.25 41.22 1bwa s ASN 98 CO 0.03 0.03 0.00 2.22 -1.51 0.00 0.00 177.10 177.86