#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 3.15 -0.09 0.54 0.74 -1.26 -5.09 119.66 117.66 1bwa s GLN 2 Ca 0.00 -0.39 0.01 0.00 0.05 0.00 0.00 55.36 55.03 1bwa s GLN 2 Cb 0.00 -2.93 0.02 0.00 1.10 0.00 0.00 33.01 31.20 1bwa s GLN 2 CO 0.00 0.68 -0.10 0.08 -0.55 0.00 0.00 175.29 175.41 1bwa s VAL 3 N -1.12 1.05 0.41 1.34 1.01 -1.26 -5.14 120.40 116.69 1bwa s VAL 3 Ca 0.20 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1bwa s VAL 3 Cb -0.12 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 1bwa s VAL 3 CO 0.10 0.35 0.62 0.42 0.00 0.00 0.00 175.10 176.59 1bwa s THR 4 N 1.17 4.42 -0.34 3.92 -4.23 -1.26 -5.01 115.64 114.32 1bwa s THR 4 Ca -0.05 -0.50 0.09 0.00 -1.18 0.00 0.00 61.69 60.05 1bwa s THR 4 Cb -0.14 -3.62 0.67 0.00 1.34 0.00 0.00 72.50 70.75 1bwa s THR 4 CO -0.02 -0.42 1.75 0.18 -0.54 0.00 0.00 174.62 175.57 1bwa n LEU 5 N -1.95 5.75 0.18 4.79 4.77 -1.26 -4.19 117.00 125.08 1bwa n LEU 5 Ca -0.01 -3.38 0.04 0.00 -0.03 0.00 0.00 56.01 52.63 1bwa n LEU 5 Cb 0.57 -0.73 0.33 0.00 -2.33 0.00 0.00 43.42 41.26 1bwa n LEU 5 CO 0.48 0.92 0.67 -0.50 -1.33 0.00 0.00 177.39 177.63 1bwa h TRP 6 N 1.95 0.00 -2.16 -1.77 4.06 -2.06 -3.44 115.95 112.53 1bwa h TRP 6 Ca 0.32 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.68 1bwa h TRP 6 Cb 2.28 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 30.32 1bwa h TRP 6 CO 1.25 0.41 -0.70 1.14 -3.56 0.00 0.00 178.44 176.99 1bwa s GLN 7 N -3.76 1.97 0.25 0.49 0.00 -1.26 -5.08 119.66 112.26 1bwa s GLN 7 Ca -0.01 -1.64 -0.31 0.00 -0.00 0.00 0.00 55.36 53.40 1bwa s GLN 7 Cb 0.12 -1.94 -0.12 0.00 0.00 0.00 0.00 33.01 31.08 1bwa s GLN 7 CO 0.70 0.31 1.65 1.03 0.00 0.00 0.00 175.29 178.99 1bwa s ARG 8 N -3.60 4.12 -0.95 9.60 0.52 -1.26 -4.89 118.95 122.49 1bwa s ARG 8 Ca 0.31 2.59 -0.21 0.00 -0.52 0.00 0.00 55.73 57.90 1bwa s ARG 8 Cb -0.05 -3.05 0.09 0.00 0.52 0.00 0.00 34.95 32.47 1bwa s ARG 8 CO 0.17 -0.69 1.26 -1.25 0.02 0.00 0.00 175.30 174.81 1bwa s PRO 9 N 0.30 3.57 -0.04 3.54 0.04 -1.26 -4.98 135.00 136.17 1bwa s PRO 9 Ca 0.69 -1.43 -0.08 0.00 0.04 0.00 0.00 61.00 60.21 1bwa s PRO 9 Cb -0.49 -5.07 -0.05 0.00 0.04 0.00 0.00 34.50 28.94 1bwa s PRO 9 CO 0.40 -1.96 0.25 -0.51 0.04 0.00 0.00 177.00 175.22 1bwa s LEU 10 N 3.75 4.40 0.21 -3.56 1.43 -1.26 -1.37 118.68 122.28 1bwa s LEU 10 Ca 0.38 0.60 0.09 0.00 -1.03 0.00 0.00 54.13 54.18 1bwa s LEU 10 Cb -0.03 -2.44 -0.05 0.00 0.03 0.00 0.00 46.19 43.71 1bwa s LEU 10 CO -0.09 0.32 -0.18 0.68 0.23 0.00 0.00 176.35 177.32 1bwa s VAL 11 N -1.16 2.01 0.10 -1.59 -7.23 0.17 -4.93 120.40 107.77 1bwa s VAL 11 Ca 0.22 -2.17 -0.23 0.00 -1.81 0.00 0.00 61.98 57.98 1bwa s VAL 11 Cb -0.13 -2.07 -0.07 0.00 0.56 0.00 0.00 36.38 34.67 1bwa s VAL 11 CO 0.11 -0.43 0.71 -0.89 -0.31 0.00 0.00 175.10 174.29 1bwa s THR 12 N -2.50 4.59 0.18 5.32 2.01 -1.26 -0.21 115.64 123.76 1bwa s THR 12 Ca 0.23 1.53 0.09 0.00 0.31 0.00 0.00 61.69 63.84 1bwa s THR 12 Cb -0.04 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1bwa s THR 12 CO 0.09 0.49 -0.19 0.27 -0.69 0.00 0.00 174.62 174.59 1bwa s ILE 13 N -0.81 1.97 -0.11 1.82 -4.36 -0.50 -1.43 121.20 117.78 1bwa s ILE 13 Ca 0.34 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.77 1bwa s ILE 13 Cb -0.21 -1.95 0.00 0.00 1.25 0.00 0.00 42.46 41.56 1bwa s ILE 13 CO 0.23 -0.30 -0.22 -0.75 0.24 0.00 0.00 174.94 174.14 1bwa s LYS 14 N -2.88 2.88 -0.17 0.37 2.20 0.65 -1.41 119.74 121.37 1bwa s LYS 14 Ca 0.18 -0.81 -0.11 0.00 -0.36 0.00 0.00 55.97 54.87 1bwa s LYS 14 Cb -0.06 -2.24 0.06 0.00 -1.51 0.00 0.00 37.83 34.08 1bwa s LYS 14 CO 0.08 0.10 0.42 -1.50 -0.36 0.00 0.00 175.35 174.09 1bwa s ILE 15 N 0.54 -0.02 -1.56 5.43 2.07 0.89 -0.80 121.20 127.75 1bwa s ILE 15 Ca -0.15 0.07 -0.14 0.00 -1.41 0.00 0.00 60.65 59.03 1bwa s ILE 15 Cb -0.17 -0.62 0.10 0.00 0.13 0.00 0.00 42.46 41.90 1bwa s ILE 15 CO 0.05 0.03 0.93 0.61 -1.91 0.00 0.00 174.94 174.64 1bwa n GLY 16 N 3.99 -0.47 2.85 1.50 0.00 -1.26 -0.26 105.19 111.53 1bwa n GLY 16 Ca -0.21 0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.64 0.36 3.54 -0.02 0.00 -1.26 -5.00 105.19 101.17 1bwa n GLY 17 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.77 2.24 -0.13 1.61 -0.21 0.64 -5.12 119.66 117.91 1bwa s GLN 18 Ca 0.00 -0.92 -0.14 0.00 0.02 0.00 0.00 55.36 54.33 1bwa s GLN 18 Cb 0.00 -2.33 -0.05 0.00 1.00 0.00 0.00 33.01 31.64 1bwa s GLN 18 CO 0.00 0.55 0.31 -0.51 -2.12 0.00 0.00 175.29 173.52 1bwa s LEU 19 N -1.70 4.29 0.32 2.90 1.43 -1.26 -0.08 118.68 124.59 1bwa s LEU 19 Ca 0.18 0.59 0.05 0.00 -1.03 0.00 0.00 54.13 53.92 1bwa s LEU 19 Cb -0.11 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 1bwa s LEU 19 CO 0.09 0.15 0.21 -0.54 0.23 0.00 0.00 176.35 176.49 1bwa s LYS 20 N 0.11 1.69 0.08 1.70 -0.14 -0.50 -5.00 119.74 117.68 1bwa s LYS 20 Ca 0.18 -1.98 0.08 0.00 -1.36 0.00 0.00 55.97 52.89 1bwa s LYS 20 Cb -0.14 0.08 -0.04 0.00 -1.68 0.00 0.00 37.83 36.05 1bwa s LYS 20 CO 0.06 -0.55 -0.18 -1.21 -0.76 0.00 0.00 175.35 172.70 1bwa s GLU 21 N -3.65 1.94 0.05 1.68 2.02 -1.26 -1.42 118.70 118.06 1bwa s GLU 21 Ca 0.37 -1.07 -0.01 0.00 0.02 0.00 0.00 54.97 54.28 1bwa s GLU 21 Cb 0.03 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 1bwa s GLU 21 CO 0.22 0.51 -0.03 0.00 0.02 0.00 0.00 175.26 175.97 1bwa s ALA 22 N -1.02 0.50 -0.07 5.21 0.00 0.70 -4.60 121.76 122.48 1bwa s ALA 22 Ca 0.16 -1.12 -0.13 0.00 0.00 0.00 0.00 51.96 50.87 1bwa s ALA 22 Cb -0.11 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 1bwa s ALA 22 CO 0.07 -0.32 0.32 -1.17 0.00 0.00 0.00 175.76 174.67 1bwa s LEU 23 N -2.69 4.40 -0.19 0.00 2.96 -0.26 -0.66 118.68 122.24 1bwa s LEU 23 Ca 0.04 0.74 -0.23 0.00 -0.22 0.00 0.00 54.13 54.46 1bwa s LEU 23 Cb 0.05 -2.42 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 1bwa s LEU 23 CO -0.08 0.28 0.74 -0.76 -1.32 0.00 0.00 176.35 175.21 1bwa s LEU 24 N -0.66 4.16 -0.32 -0.68 1.43 -0.47 -0.49 118.68 121.65 1bwa s LEU 24 Ca 0.20 1.01 -0.01 0.00 -1.03 0.00 0.00 54.13 54.30 1bwa s LEU 24 Cb -0.15 -3.08 0.10 0.00 0.03 0.00 0.00 46.19 43.10 1bwa s LEU 24 CO 0.09 -0.35 0.12 -0.62 0.23 0.00 0.00 176.35 175.82 1bwa s ASP 25 N 1.19 3.89 0.21 2.29 -1.08 -0.48 -4.85 116.67 117.84 1bwa s ASP 25 Ca 0.34 -1.70 0.22 0.00 -0.52 0.00 0.00 52.55 50.89 1bwa s ASP 25 Cb -0.16 -0.79 0.91 0.00 -1.46 0.00 0.00 42.92 41.42 1bwa s ASP 25 CO 0.11 -0.40 1.67 0.35 0.52 0.00 0.00 175.17 177.42 1bwa n THR 26 N 4.76 0.84 1.39 1.71 -2.24 -1.26 -2.09 114.28 117.39 1bwa n THR 26 Ca -0.01 0.21 0.12 0.00 -2.27 0.00 0.00 64.05 62.09 1bwa n THR 26 Cb 0.41 -1.10 0.45 0.00 -2.10 0.00 0.00 70.33 67.99 1bwa n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bwa n GLY 27 N 0.07 0.06 3.45 3.38 0.00 -1.26 -4.84 105.19 106.04 1bwa n GLY 27 Ca 0.03 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.87 2.94 0.10 4.61 0.00 -0.89 -4.99 121.76 121.67 1bwa s ALA 28 Ca 0.34 -0.92 -0.14 0.00 0.00 0.00 0.00 51.96 51.24 1bwa s ALA 28 Cb 0.18 -1.60 -0.12 0.00 0.00 0.00 0.00 23.12 21.59 1bwa s ALA 28 CO 0.28 0.03 1.36 -0.44 0.00 0.00 0.00 175.76 176.99 1bwa h ASP 29 N 7.10 0.86 -2.35 0.00 3.32 -1.88 0.42 116.42 123.89 1bwa h ASP 29 Ca -0.33 -0.56 -0.58 0.00 0.02 0.00 0.00 57.03 55.59 1bwa h ASP 29 Cb 1.19 -0.25 -0.11 0.00 0.22 0.00 0.00 39.33 40.38 1bwa h ASP 29 CO 0.61 1.26 -0.67 -1.81 -1.72 0.00 0.00 179.24 176.91 1bwa s ASP 30 N -6.84 4.40 -0.05 6.45 1.01 -1.26 -2.06 116.67 118.32 1bwa s ASP 30 Ca -0.11 -0.67 -0.19 0.00 0.71 0.00 0.00 52.55 52.29 1bwa s ASP 30 Cb 0.09 -0.77 -0.05 0.00 1.01 0.00 0.00 42.92 43.19 1bwa s ASP 30 CO 0.87 0.02 0.52 -0.89 0.21 0.00 0.00 175.17 175.91 1bwa s THR 31 N -2.23 5.04 -0.03 -1.27 2.01 -1.26 -3.69 115.64 114.21 1bwa s THR 31 Ca 0.30 1.07 -0.01 0.00 0.31 0.00 0.00 61.69 63.36 1bwa s THR 31 Cb -0.07 -3.85 0.02 0.00 0.01 0.00 0.00 72.50 68.61 1bwa s THR 31 CO 0.19 0.41 0.06 0.54 -0.69 0.00 0.00 174.62 175.12 1bwa s VAL 32 N -0.01 -0.04 0.21 3.82 0.11 -0.34 -1.62 120.40 122.53 1bwa s VAL 32 Ca 0.28 0.15 0.10 0.00 -2.93 0.00 0.00 61.98 59.58 1bwa s VAL 32 Cb -0.17 -0.11 -0.05 0.00 -1.53 0.00 0.00 36.38 34.52 1bwa s VAL 32 CO 0.14 0.06 -0.20 -0.76 -3.33 0.00 0.00 175.10 171.01 1bwa s LEU 33 N 0.79 2.50 0.97 2.54 1.43 0.63 -0.45 118.68 127.10 1bwa s LEU 33 Ca -0.06 -0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 51.99 1bwa s LEU 33 Cb -0.09 -0.97 0.18 0.00 0.03 0.00 0.00 46.19 45.34 1bwa s LEU 33 CO -0.03 0.01 1.12 -1.61 0.23 0.00 0.00 176.35 176.07 1bwa s GLU 34 N -3.10 0.55 0.41 1.70 2.02 -1.26 -1.01 118.70 118.01 1bwa s GLU 34 Ca 0.22 1.39 -0.26 0.00 0.02 0.00 0.00 54.97 56.34 1bwa s GLU 34 Cb -0.05 -1.68 -0.09 0.00 0.10 0.00 0.00 34.13 32.40 1bwa s GLU 34 CO 0.10 -2.90 1.35 -1.21 0.02 0.00 0.00 175.26 172.62 1bwa s GLU 35 N -4.60 3.93 0.35 1.61 8.01 -1.19 -4.35 118.70 122.46 1bwa s GLU 35 Ca 0.67 2.27 -0.17 0.00 0.01 0.00 0.00 54.97 57.75 1bwa s GLU 35 Cb -0.23 -2.77 0.05 0.00 -4.31 0.00 0.00 34.13 26.87 1bwa s GLU 35 CO 0.60 -0.56 0.79 0.00 0.01 0.00 0.00 175.26 176.09 1bwa s MET 36 N -2.26 2.08 -0.23 1.61 0.23 -1.26 -5.01 119.30 114.47 1bwa s MET 36 Ca 0.57 -1.30 -0.08 0.00 -1.03 0.00 0.00 55.69 53.84 1bwa s MET 36 Cb -0.40 0.61 -0.04 0.00 -1.53 0.00 0.00 34.83 33.46 1bwa s MET 36 CO 0.52 -0.97 0.10 -1.12 -2.03 0.00 0.00 175.02 171.52 1bwa s SER 37 N -3.05 5.61 0.08 -1.18 0.01 -1.26 -5.06 113.70 108.84 1bwa s SER 37 Ca 0.15 -0.03 0.09 0.00 1.31 0.00 0.00 55.95 57.48 1bwa s SER 37 Cb -0.05 -2.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.15 1bwa s SER 37 CO 0.10 0.05 -0.25 -0.76 0.41 0.00 0.00 173.24 172.79 1bwa s LEU 38 N 1.12 2.23 0.36 2.44 1.43 -1.26 -4.95 118.68 120.05 1bwa s LEU 38 Ca 0.05 -0.64 -0.21 0.00 -1.03 0.00 0.00 54.13 52.30 1bwa s LEU 38 Cb -0.14 -1.18 -0.10 0.00 0.03 0.00 0.00 46.19 44.80 1bwa s LEU 38 CO 0.04 0.20 0.88 -2.16 0.23 0.00 0.00 176.35 175.54 1bwa s PRO 39 N -1.56 4.27 0.00 1.29 0.04 -1.26 -4.97 135.00 132.81 1bwa s PRO 39 Ca 0.11 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1bwa s PRO 39 Cb -0.10 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1bwa s PRO 39 CO 0.04 0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.62 1bwa n GLY 40 N -0.13 -0.12 3.81 0.56 0.00 -1.26 -5.00 105.19 103.06 1bwa n GLY 40 Ca 0.04 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 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 0.00 3.01 0.20 1.61 3.03 -1.26 -5.10 118.95 120.44 1bwa s ARG 41 Ca 0.00 -0.68 -0.05 0.00 2.03 0.00 0.00 55.73 57.02 1bwa s ARG 41 Cb 0.00 -2.77 -0.03 0.00 -1.03 0.00 0.00 34.95 31.12 1bwa s ARG 41 CO 0.00 0.55 0.25 1.67 -1.13 0.00 0.00 175.30 176.64 1bwa s TRP 42 N -1.51 0.80 0.04 5.89 1.48 -1.26 -4.62 118.94 119.77 1bwa s TRP 42 Ca 0.31 -1.10 0.00 0.00 -1.06 0.00 0.00 56.10 54.26 1bwa s TRP 42 Cb -0.12 -0.27 -0.03 0.00 -1.16 0.00 0.00 33.47 31.89 1bwa s TRP 42 CO 0.24 -0.74 -0.04 -1.59 -4.06 0.00 0.00 176.95 170.75 1bwa s LYS 43 N -4.08 0.51 0.55 3.25 -2.85 -0.17 -4.87 119.74 112.08 1bwa s LYS 43 Ca 0.30 -0.91 -0.18 0.00 -1.00 0.00 0.00 55.97 54.18 1bwa s LYS 43 Cb 0.04 0.02 -0.05 0.00 -2.06 0.00 0.00 37.83 35.78 1bwa s LYS 43 CO 0.09 -0.04 1.07 -1.25 0.10 0.00 0.00 175.35 175.31 1bwa s PRO 44 N -2.51 3.43 0.29 1.78 0.04 -1.26 0.78 135.00 137.54 1bwa s PRO 44 Ca -0.04 1.36 -0.10 0.00 0.04 0.00 0.00 61.00 62.25 1bwa s PRO 44 Cb -0.03 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1bwa s PRO 44 CO -0.04 -0.74 0.50 0.21 0.04 0.00 0.00 177.00 176.97 1bwa s LYS 45 N -3.64 1.72 -0.07 4.56 2.20 -0.33 -4.81 119.74 119.37 1bwa s LYS 45 Ca 0.67 -1.42 -0.04 0.00 -0.36 0.00 0.00 55.97 54.82 1bwa s LYS 45 Cb -0.18 0.48 0.03 0.00 -1.51 0.00 0.00 37.83 36.65 1bwa s LYS 45 CO 0.30 -0.72 0.16 1.41 -0.36 0.00 0.00 175.35 176.14 1bwa s MET 46 N -3.57 0.13 0.00 4.03 -2.45 -1.26 -0.21 119.30 115.97 1bwa s MET 46 Ca 0.24 0.35 0.06 0.00 -1.25 0.00 0.00 55.69 55.09 1bwa s MET 46 Cb -0.01 -0.09 -0.02 0.00 1.25 0.00 0.00 34.83 35.96 1bwa s MET 46 CO 0.13 -0.12 -0.19 0.42 1.05 0.00 0.00 175.02 176.30 1bwa s ILE 47 N 0.87 1.48 0.02 10.11 -1.09 0.13 -4.93 121.20 127.79 1bwa s ILE 47 Ca -0.07 -0.91 0.00 0.00 -2.23 0.00 0.00 60.65 57.45 1bwa s ILE 47 Cb -0.08 -1.25 -0.04 0.00 -1.58 0.00 0.00 42.46 39.50 1bwa s ILE 47 CO -0.05 0.33 0.10 -0.83 -1.23 0.00 0.00 174.94 173.26 1bwa s GLY 48 N -0.67 2.04 0.22 6.18 0.00 -1.26 0.04 107.32 113.87 1bwa s GLY 48 Ca 0.07 -0.89 0.05 0.00 0.00 0.00 0.00 44.72 43.95 1bwa s GLY 48 CO 0.00 -0.79 0.19 0.61 0.00 0.00 0.00 173.10 173.11 1bwa n GLY 49 N 0.97 3.25 3.72 0.20 0.00 0.91 -4.99 105.19 109.24 1bwa n GLY 49 Ca -0.11 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 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 -2.90 3.42 0.00 -0.61 1.01 -1.26 -2.23 121.20 118.64 1bwa s ILE 50 Ca 0.26 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.95 1bwa s ILE 50 Cb 0.01 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.82 1bwa s ILE 50 CO 0.19 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1bwa n GLY 51 N 3.36 2.28 0.00 6.18 0.00 -1.26 -4.99 105.19 110.76 1bwa n GLY 51 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.19 0.16 3.34 -0.02 0.00 -0.95 -5.11 105.19 102.43 1bwa n GLY 52 Ca 0.00 -1.39 -0.26 0.00 0.00 0.00 0.00 46.02 44.37 1bwa n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bwa s PHE 53 N -3.24 2.04 0.14 1.61 -0.71 -1.26 -0.06 117.98 116.50 1bwa s PHE 53 Ca 0.00 -0.40 0.06 0.00 -1.04 0.00 0.00 56.93 55.55 1bwa s PHE 53 Cb 0.00 -1.09 -0.04 0.00 -1.21 0.00 0.00 43.02 40.68 1bwa s PHE 53 CO 0.00 0.30 -0.13 0.96 -1.34 0.00 0.00 175.22 175.01 1bwa s ILE 54 N -1.26 1.35 -0.02 -4.49 -4.36 0.11 -4.93 121.20 107.59 1bwa s ILE 54 Ca 0.12 -1.86 -0.13 0.00 -0.26 0.00 0.00 60.65 58.52 1bwa s ILE 54 Cb -0.09 -1.66 -0.05 0.00 1.25 0.00 0.00 42.46 41.90 1bwa s ILE 54 CO 0.06 -0.51 0.36 -0.75 0.24 0.00 0.00 174.94 174.34 1bwa s LYS 55 N -3.03 3.84 0.28 0.37 2.20 -1.26 0.20 119.74 122.34 1bwa s LYS 55 Ca 0.12 0.32 0.02 0.00 -0.36 0.00 0.00 55.97 56.07 1bwa s LYS 55 Cb -0.03 -3.22 -0.05 0.00 -1.51 0.00 0.00 37.83 33.03 1bwa s LYS 55 CO 0.03 0.70 0.10 0.14 -0.36 0.00 0.00 175.35 175.96 1bwa s VAL 56 N -1.05 0.61 -0.09 4.02 -7.23 0.71 -4.56 120.40 112.80 1bwa s VAL 56 Ca 0.22 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1bwa s VAL 56 Cb -0.16 -2.63 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 1bwa s VAL 56 CO 0.12 0.00 -0.11 0.00 -0.31 0.00 0.00 175.10 174.80 1bwa s ARG 57 N -3.96 2.95 -0.25 4.82 1.70 0.42 -1.18 118.95 123.45 1bwa s ARG 57 Ca 0.37 -0.63 -0.14 0.00 -0.47 0.00 0.00 55.73 54.85 1bwa s ARG 57 Cb 0.07 -2.57 -0.04 0.00 -0.57 0.00 0.00 34.95 31.85 1bwa s ARG 57 CO 0.15 0.47 0.32 -1.14 -1.08 0.00 0.00 175.30 174.02 1bwa s GLN 58 N -0.32 4.05 -0.16 3.89 0.74 0.23 -1.13 119.66 126.97 1bwa s GLN 58 Ca 0.03 -0.02 -0.03 0.00 0.05 0.00 0.00 55.36 55.39 1bwa s GLN 58 Cb -0.13 -3.62 -0.02 0.00 1.10 0.00 0.00 33.01 30.34 1bwa s GLN 58 CO 0.02 -0.17 -0.05 0.71 -0.55 0.00 0.00 175.29 175.25 1bwa s TYR 59 N 1.75 2.99 0.20 1.67 1.51 -0.01 -1.00 117.35 124.45 1bwa s TYR 59 Ca 0.14 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.84 1bwa s TYR 59 Cb -0.15 -1.96 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 1bwa s TYR 59 CO 0.09 -0.11 0.24 -0.51 -1.11 0.00 0.00 175.55 174.14 1bwa s ASP 60 N 0.48 5.88 -1.48 2.29 1.01 -1.26 -0.96 116.67 122.64 1bwa s ASP 60 Ca -0.04 -0.05 -0.05 0.00 0.71 0.00 0.00 52.55 53.12 1bwa s ASP 60 Cb -0.14 -1.63 0.01 0.00 1.01 0.00 0.00 42.92 42.16 1bwa s ASP 60 CO 0.03 0.01 0.67 0.00 0.21 0.00 0.00 175.17 176.08 1bwa n GLN 61 N -0.85 -5.15 -3.09 8.23 6.02 -0.72 -4.91 117.38 116.89 1bwa n GLN 61 Ca -0.08 0.87 -0.37 0.00 -0.01 0.00 0.00 57.00 57.41 1bwa n GLN 61 Cb 0.56 -5.69 -0.06 0.00 1.02 0.00 0.00 30.24 26.07 1bwa n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1bwa s ILE 62 N -3.18 4.55 -0.18 5.09 -1.09 0.05 -4.70 121.20 121.74 1bwa s ILE 62 Ca 0.33 1.35 -0.18 0.00 -2.23 0.00 0.00 60.65 59.92 1bwa s ILE 62 Cb -0.15 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 1bwa s ILE 62 CO 0.41 0.29 0.48 -0.22 -1.23 0.00 0.00 174.94 174.66 1bwa s LEU 63 N -1.77 4.19 0.05 2.97 1.98 -1.26 -1.70 118.68 123.13 1bwa s LEU 63 Ca 0.41 0.68 0.09 0.00 -2.89 0.00 0.00 54.13 52.41 1bwa s LEU 63 Cb -0.18 -2.65 -0.03 0.00 0.66 0.00 0.00 46.19 43.99 1bwa s LEU 63 CO 0.22 -0.10 -0.25 0.27 -1.89 0.00 0.00 176.35 174.59 1bwa s ILE 64 N 1.25 2.05 -0.15 6.68 -0.00 -0.86 -4.35 121.20 125.82 1bwa s ILE 64 Ca 0.23 -1.36 -0.01 0.00 -0.00 0.00 0.00 60.65 59.52 1bwa s ILE 64 Cb -0.15 -1.76 -0.01 0.00 -0.00 0.00 0.00 42.46 40.54 1bwa s ILE 64 CO 0.09 0.34 -0.12 -1.61 -0.00 0.00 0.00 174.94 173.64 1bwa s GLU 65 N -1.23 3.35 -0.16 0.37 2.02 0.02 -1.49 118.70 121.57 1bwa s GLU 65 Ca 0.11 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.42 1bwa s GLU 65 Cb -0.10 -2.70 0.03 0.00 0.10 0.00 0.00 34.13 31.45 1bwa s GLU 65 CO 0.02 0.09 -0.14 0.42 0.02 0.00 0.00 175.26 175.67 1bwa s ILE 66 N 0.66 1.66 0.00 -1.63 1.01 0.59 -0.25 121.20 123.23 1bwa s ILE 66 Ca -0.06 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1bwa s ILE 66 Cb -0.15 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.73 1bwa s ILE 66 CO 0.02 0.41 0.00 0.00 0.00 0.00 0.00 174.94 175.37 1bwa n GLY 68 N 0.00 3.05 3.45 0.00 0.00 -1.26 -4.90 105.19 105.54 1bwa n GLY 68 Ca 0.00 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 1bwa n GLY 68 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1bwa s HIS 69 N -2.54 2.70 0.21 1.61 5.65 -0.57 -5.10 115.29 117.25 1bwa s HIS 69 Ca 0.46 -0.23 -0.06 0.00 0.25 0.00 0.00 55.06 55.48 1bwa s HIS 69 Cb 0.36 -1.65 -0.06 0.00 -1.18 0.00 0.00 32.58 30.05 1bwa s HIS 69 CO 0.12 0.13 0.47 0.15 -0.65 0.00 0.00 174.74 174.96 1bwa s LYS 70 N -0.59 3.67 0.12 2.88 1.02 -1.26 -0.30 119.74 125.28 1bwa s LYS 70 Ca 0.08 0.03 -0.12 0.00 0.02 0.00 0.00 55.97 55.99 1bwa s LYS 70 Cb -0.11 -2.74 0.01 0.00 -0.52 0.00 0.00 37.83 34.47 1bwa s LYS 70 CO 0.01 0.36 0.30 0.00 -0.92 0.00 0.00 175.35 175.09 1bwa s ALA 71 N -1.82 -0.45 -0.04 5.17 0.00 -0.56 -4.88 121.76 119.17 1bwa s ALA 71 Ca 0.44 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.96 1bwa s ALA 71 Cb -0.11 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.66 1bwa s ALA 71 CO 0.25 -0.60 -0.12 0.42 0.00 0.00 0.00 175.76 175.71 1bwa s ILE 72 N -3.86 1.03 0.03 0.00 -1.09 -1.26 -2.02 121.20 114.02 1bwa s ILE 72 Ca 0.07 -0.48 -0.03 0.00 -2.23 0.00 0.00 60.65 57.98 1bwa s ILE 72 Cb 0.03 -0.91 0.01 0.00 -1.58 0.00 0.00 42.46 40.01 1bwa s ILE 72 CO -0.09 0.31 0.13 0.61 -1.23 0.00 0.00 174.94 174.67 1bwa n GLY 73 N 3.34 1.36 3.75 6.18 0.00 -0.69 -4.87 105.19 114.27 1bwa n GLY 73 Ca -0.19 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.59 4.58 -0.04 2.61 2.01 -1.26 -0.77 115.64 120.18 1bwa s THR 74 Ca 0.03 1.71 0.05 0.00 0.31 0.00 0.00 61.69 63.79 1bwa s THR 74 Cb -0.00 -4.15 -0.01 0.00 0.01 0.00 0.00 72.50 68.35 1bwa s THR 74 CO 0.01 0.41 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.48 1bwa s VAL 75 N -0.40 1.48 -0.12 3.82 1.01 -0.13 -4.61 120.40 121.44 1bwa s VAL 75 Ca 0.39 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 1bwa s VAL 75 Cb -0.22 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1bwa s VAL 75 CO 0.25 0.42 -0.02 -0.76 0.00 0.00 0.00 175.10 175.00 1bwa s LEU 76 N -0.10 3.42 -0.07 3.92 1.43 -0.64 -0.83 118.68 125.82 1bwa s LEU 76 Ca -0.01 0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.14 1bwa s LEU 76 Cb -0.11 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 1bwa s LEU 76 CO 0.02 0.27 -0.19 -0.69 0.23 0.00 0.00 176.35 175.99 1bwa s VAL 77 N -0.26 2.62 -2.09 -1.59 1.01 -0.28 -0.27 120.40 119.55 1bwa s VAL 77 Ca 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1bwa s VAL 77 Cb -0.12 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1bwa s VAL 77 CO 0.02 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1bwa n GLY 78 N 2.79 -1.60 2.23 4.51 0.00 -0.18 -0.44 105.19 112.50 1bwa n GLY 78 Ca -0.17 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.22 2.84 -2.68 1.61 -0.04 -1.26 -3.16 135.00 132.09 1bwa n PRO 79 Ca 0.00 -1.64 -0.31 0.00 -0.04 0.00 0.00 63.50 61.51 1bwa n PRO 79 Cb 0.00 -2.45 -0.03 0.00 -0.04 0.00 0.00 33.50 30.98 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 1.90 4.67 0.04 0.52 -1.32 -1.26 -4.96 115.64 115.23 1bwa s THR 80 Ca 0.64 0.90 0.33 0.00 -1.21 0.00 0.00 61.69 62.34 1bwa s THR 80 Cb 0.22 -3.72 0.39 0.00 -1.51 0.00 0.00 72.50 67.88 1bwa s THR 80 CO -0.03 -0.57 1.95 -0.65 -2.21 0.00 0.00 174.62 173.11 1bwa h PRO 81 N 1.19 0.00 -2.93 7.08 0.11 -1.98 -3.43 132.00 132.05 1bwa h PRO 81 Ca -0.47 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 1bwa h PRO 81 Cb 1.19 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.06 1bwa h PRO 81 CO 0.63 0.00 -0.31 0.12 -0.21 0.00 0.00 178.00 178.23 1bwa s PHE 82 N -3.62 -0.35 0.10 0.65 2.19 -1.26 -5.04 117.98 110.66 1bwa s PHE 82 Ca 0.02 0.82 -0.31 0.00 0.33 0.00 0.00 56.93 57.79 1bwa s PHE 82 Cb 0.09 0.12 -0.07 0.00 -1.31 0.00 0.00 43.02 41.85 1bwa s PHE 82 CO 0.55 -0.21 1.26 -0.80 1.83 0.00 0.00 175.22 177.84 1bwa s ASN 83 N -0.05 7.00 -0.12 6.13 0.01 -1.26 -4.70 114.94 121.95 1bwa s ASN 83 Ca -0.02 2.16 0.03 0.00 -0.71 0.00 0.00 52.86 54.32 1bwa s ASN 83 Cb -0.03 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.05 1bwa s ASN 83 CO 0.01 -0.51 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.19 1bwa s VAL 84 N 0.84 1.96 -0.28 1.60 1.01 0.41 -1.10 120.40 124.84 1bwa s VAL 84 Ca 0.59 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 1bwa s VAL 84 Cb -0.32 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1bwa s VAL 84 CO 0.31 0.53 0.20 -0.63 0.00 0.00 0.00 175.10 175.51 1bwa s ILE 85 N 0.63 5.31 0.16 2.22 -1.09 0.36 -1.19 121.20 127.59 1bwa s ILE 85 Ca -0.12 0.19 0.03 0.00 -2.23 0.00 0.00 60.65 58.52 1bwa s ILE 85 Cb -0.16 -3.54 0.03 0.00 -1.58 0.00 0.00 42.46 37.20 1bwa s ILE 85 CO 0.03 0.25 0.21 0.61 -1.23 0.00 0.00 174.94 174.81 1bwa n GLY 86 N 4.98 2.05 0.22 6.18 0.00 -1.24 -1.38 105.19 115.99 1bwa n GLY 86 Ca -0.14 -2.16 0.08 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.34 1.61 3.08 0.01 -0.99 114.38 117.75 1bwa h ARG 87 Ca -0.08 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.07 1bwa h ARG 87 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1bwa h ARG 87 CO 0.11 0.24 0.26 -2.95 -1.07 0.00 0.00 179.97 176.56 1bwa h ASN 88 N 0.00 0.00 0.03 7.04 -1.07 -1.66 -1.39 115.58 118.53 1bwa h ASN 88 Ca -0.00 0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.00 1bwa h ASN 88 Cb 0.56 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 36.75 1bwa h ASN 88 CO 0.03 0.00 -2.35 0.18 0.07 0.00 0.00 177.43 175.36 1bwa n LEU 89 N -4.31 0.21 -0.31 6.14 4.77 -0.61 -4.45 117.00 118.44 1bwa n LEU 89 Ca 0.05 0.02 0.04 0.00 -0.03 0.00 0.00 56.01 56.10 1bwa n LEU 89 Cb 0.43 0.40 0.24 0.00 -2.33 0.00 0.00 43.42 42.16 1bwa n LEU 89 CO 0.34 0.51 1.25 -0.07 -1.33 0.00 0.00 177.39 178.10 1bwa h LEU 90 N 0.00 0.91 -1.77 2.23 4.07 -0.72 0.21 115.31 120.23 1bwa h LEU 90 Ca -0.53 0.01 0.10 0.00 0.08 0.00 0.00 57.88 57.54 1bwa h LEU 90 Cb 2.22 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 43.74 1bwa h LEU 90 CO 0.03 0.57 0.35 0.74 -1.08 0.00 0.00 178.44 179.05 1bwa h THR 91 N 1.03 0.87 0.00 0.22 2.02 -1.50 -1.50 112.91 114.04 1bwa h THR 91 Ca 0.40 -0.09 -0.14 0.00 0.77 0.00 0.00 66.41 67.35 1bwa h THR 91 Cb 0.23 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1bwa h THR 91 CO -0.15 0.05 -0.65 1.56 0.37 0.00 0.00 175.52 176.69 1bwa h GLN 92 N 0.25 0.00 -0.43 6.66 4.20 -0.80 -2.97 115.11 122.02 1bwa h GLN 92 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1bwa h GLN 92 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1bwa h GLN 92 CO -0.05 0.65 0.00 0.44 -0.67 0.00 0.00 178.83 179.20 1bwa n ILE 93 N -3.28 0.57 -3.07 2.54 -5.35 -1.11 -4.92 119.36 104.74 1bwa n ILE 93 Ca 0.01 -0.58 -0.18 0.00 -0.27 0.00 0.00 62.75 61.74 1bwa n ILE 93 Cb 0.79 0.31 0.04 0.00 -1.74 0.00 0.00 39.64 39.04 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 1.20 -0.22 3.72 3.28 0.00 -1.12 -4.98 105.19 107.07 1bwa n GLY 94 Ca 0.15 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 0.66 2.76 -0.12 0.00 -4.23 -1.26 -4.78 115.64 108.67 1bwa s THR 96 Ca 0.53 -2.13 -0.02 0.00 -1.18 0.00 0.00 61.69 58.89 1bwa s THR 96 Cb -0.26 -2.42 -0.03 0.00 1.34 0.00 0.00 72.50 71.12 1bwa s THR 96 CO 0.30 -0.30 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.83 1bwa s LEU 97 N -3.29 3.32 -0.04 4.79 2.96 -1.26 -5.09 118.68 120.06 1bwa s LEU 97 Ca 0.28 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 1bwa s LEU 97 Cb -0.06 -1.77 0.02 0.00 0.50 0.00 0.00 46.19 44.87 1bwa s LEU 97 CO 0.15 0.26 -0.05 0.20 -1.32 0.00 0.00 176.35 175.60 1bwa s ASN 98 N -0.20 0.89 0.00 3.68 -0.87 -1.26 -5.29 114.94 111.89 1bwa s ASN 98 Ca 0.04 -0.12 0.00 0.00 -1.57 0.00 0.00 52.86 51.20 1bwa s ASN 98 Cb -0.13 -0.41 0.00 0.00 -0.02 0.00 0.00 41.25 40.70 1bwa s ASN 98 CO 0.02 -0.04 0.00 2.22 -2.57 0.00 0.00 177.10 176.74