#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwb s GLN 2 N 0.00 2.95 -0.10 0.54 0.74 -1.26 -5.09 119.66 117.44 1bwb s GLN 2 Ca 0.00 -0.48 0.01 0.00 0.05 0.00 0.00 55.36 54.94 1bwb s GLN 2 Cb 0.00 -2.78 0.02 0.00 1.10 0.00 0.00 33.01 31.35 1bwb s GLN 2 CO 0.00 0.67 -0.12 0.08 -0.55 0.00 0.00 175.29 175.37 1bwb s VAL 3 N -1.00 1.26 0.67 1.34 1.01 -1.26 -5.13 120.40 117.29 1bwb s VAL 3 Ca 0.17 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 1bwb s VAL 3 Cb -0.12 -1.18 0.07 0.00 0.00 0.00 0.00 36.38 35.15 1bwb s VAL 3 CO 0.07 0.40 0.95 0.42 0.00 0.00 0.00 175.10 176.94 1bwb s THR 4 N 1.13 2.36 -0.19 3.92 -4.23 -1.26 -5.01 115.64 112.36 1bwb s THR 4 Ca -0.05 -0.43 0.15 0.00 -1.18 0.00 0.00 61.69 60.18 1bwb s THR 4 Cb -0.14 -2.93 0.47 0.00 1.34 0.00 0.00 72.50 71.23 1bwb s THR 4 CO -0.03 0.00 1.36 0.18 -0.54 0.00 0.00 174.62 175.60 1bwb n LEU 5 N -2.77 3.54 0.24 4.79 4.77 -1.26 -4.35 117.00 121.95 1bwb n LEU 5 Ca 0.10 -3.24 0.11 0.00 -0.03 0.00 0.00 56.01 52.95 1bwb n LEU 5 Cb 0.60 -0.54 0.55 0.00 -2.33 0.00 0.00 43.42 41.71 1bwb n LEU 5 CO 0.48 0.84 0.86 -0.50 -1.33 0.00 0.00 177.39 177.74 1bwb h TRP 6 N 1.18 0.00 -1.96 -1.77 4.06 -2.06 -3.42 115.95 111.97 1bwb h TRP 6 Ca 0.05 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.39 1bwb h TRP 6 Cb 1.37 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.41 1bwb h TRP 6 CO 0.51 0.19 -0.67 -0.65 -3.56 0.00 0.00 178.44 174.26 1bwb s GLN 7 N -3.81 1.90 0.18 0.49 -0.21 -1.26 -5.10 119.66 111.85 1bwb s GLN 7 Ca -0.00 -1.85 -0.33 0.00 0.02 0.00 0.00 55.36 53.19 1bwb s GLN 7 Cb 0.11 -1.79 -0.13 0.00 1.00 0.00 0.00 33.01 32.20 1bwb s GLN 7 CO 0.61 0.16 1.66 0.54 -2.12 0.00 0.00 175.29 176.14 1bwb n ARG 8 N -0.83 2.45 -2.44 2.91 1.74 -1.26 -4.89 116.66 114.33 1bwb n ARG 8 Ca -0.05 0.88 -0.38 0.00 -0.77 0.00 0.00 57.85 57.54 1bwb n ARG 8 Cb 0.63 -2.69 -0.03 0.00 -1.02 0.00 0.00 32.46 29.35 1bwb n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1bwb s PRO 9 N 1.14 3.43 -0.09 5.56 0.04 -1.26 -4.95 135.00 138.87 1bwb s PRO 9 Ca 0.77 -1.20 -0.09 0.00 0.04 0.00 0.00 61.00 60.52 1bwb s PRO 9 Cb -0.60 -5.35 -0.04 0.00 0.04 0.00 0.00 34.50 28.55 1bwb s PRO 9 CO 0.36 -2.55 0.21 -1.17 0.04 0.00 0.00 177.00 173.88 1bwb s LEU 10 N 6.11 4.40 0.18 -3.56 2.96 -1.26 -0.69 118.68 126.82 1bwb s LEU 10 Ca 0.54 0.59 0.05 0.00 -0.22 0.00 0.00 54.13 55.09 1bwb s LEU 10 Cb -0.00 -2.21 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 1bwb s LEU 10 CO -0.02 0.38 -0.10 0.68 -1.32 0.00 0.00 176.35 175.97 1bwb s VAL 11 N -0.98 1.34 0.05 1.68 -7.23 0.54 -4.93 120.40 110.87 1bwb s VAL 11 Ca 0.17 -2.11 -0.26 0.00 -1.81 0.00 0.00 61.98 57.98 1bwb s VAL 11 Cb -0.13 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 1bwb s VAL 11 CO 0.06 -0.62 0.80 -0.89 -0.31 0.00 0.00 175.10 174.14 1bwb s THR 12 N -3.22 4.71 0.16 5.32 2.01 -1.26 -0.92 115.64 122.44 1bwb s THR 12 Ca 0.21 1.71 0.11 0.00 0.31 0.00 0.00 61.69 64.02 1bwb s THR 12 Cb 0.02 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 1bwb s THR 12 CO 0.04 0.34 -0.23 0.27 -0.69 0.00 0.00 174.62 174.36 1bwb s ILE 13 N 0.03 2.49 -0.16 1.82 -4.36 0.67 -1.60 121.20 120.09 1bwb s ILE 13 Ca 0.40 -1.82 -0.01 0.00 -0.26 0.00 0.00 60.65 58.96 1bwb s ILE 13 Cb -0.21 -2.16 -0.01 0.00 1.25 0.00 0.00 42.46 41.33 1bwb s ILE 13 CO 0.24 -0.01 -0.12 -0.75 0.24 0.00 0.00 174.94 174.54 1bwb s LYS 14 N -2.41 3.34 -0.05 0.37 2.20 0.10 -1.02 119.74 122.27 1bwb s LYS 14 Ca 0.19 -0.69 -0.03 0.00 -0.36 0.00 0.00 55.97 55.08 1bwb s LYS 14 Cb -0.09 -2.72 0.03 0.00 -1.51 0.00 0.00 37.83 33.54 1bwb s LYS 14 CO 0.09 0.06 0.12 -1.50 -0.36 0.00 0.00 175.35 173.76 1bwb s ILE 15 N 0.74 -0.03 -1.45 5.43 2.07 0.24 -1.35 121.20 126.83 1bwb s ILE 15 Ca -0.05 0.12 -0.10 0.00 -1.41 0.00 0.00 60.65 59.21 1bwb s ILE 15 Cb -0.15 -0.19 0.06 0.00 0.13 0.00 0.00 42.46 42.31 1bwb s ILE 15 CO 0.02 0.05 0.75 0.61 -1.91 0.00 0.00 174.94 174.46 1bwb n GLY 16 N 3.79 -0.50 2.67 1.50 0.00 -1.26 -0.28 105.19 111.11 1bwb n GLY 16 Ca -0.22 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1bwb n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwb n GLY 17 N -1.51 0.36 3.49 -0.02 0.00 -1.26 -5.01 105.19 101.23 1bwb n GLY 17 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1bwb n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bwb s GLN 18 N -0.75 2.02 -0.16 1.61 -0.21 0.62 -5.12 119.66 117.67 1bwb s GLN 18 Ca 0.00 -1.03 -0.12 0.00 0.02 0.00 0.00 55.36 54.23 1bwb s GLN 18 Cb 0.00 -2.20 -0.05 0.00 1.00 0.00 0.00 33.01 31.77 1bwb s GLN 18 CO 0.00 0.52 0.23 -0.51 -2.12 0.00 0.00 175.29 173.42 1bwb s LEU 19 N -1.71 4.26 0.18 2.90 1.43 -1.26 -0.60 118.68 123.89 1bwb s LEU 19 Ca 0.16 0.45 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 1bwb s LEU 19 Cb -0.11 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 1bwb s LEU 19 CO 0.08 0.17 0.05 -0.54 0.23 0.00 0.00 176.35 176.34 1bwb s LYS 20 N 0.17 1.13 0.12 1.70 -0.14 -0.19 -4.99 119.74 117.53 1bwb s LYS 20 Ca 0.14 -1.56 0.07 0.00 -1.36 0.00 0.00 55.97 53.25 1bwb s LYS 20 Cb -0.12 -0.05 -0.04 0.00 -1.68 0.00 0.00 37.83 35.93 1bwb s LYS 20 CO 0.03 -0.23 -0.06 -1.21 -0.76 0.00 0.00 175.35 173.12 1bwb s GLU 21 N -4.01 2.28 0.00 1.68 2.02 -1.26 -0.24 118.70 119.18 1bwb s GLU 21 Ca 0.29 -1.01 -0.13 0.00 0.02 0.00 0.00 54.97 54.14 1bwb s GLU 21 Cb 0.07 -2.37 0.02 0.00 0.10 0.00 0.00 34.13 31.95 1bwb s GLU 21 CO 0.06 0.50 0.27 0.00 0.02 0.00 0.00 175.26 176.12 1bwb s ALA 22 N -1.36 -0.66 0.02 5.21 0.00 -0.10 -4.58 121.76 120.28 1bwb s ALA 22 Ca 0.24 0.14 -0.22 0.00 0.00 0.00 0.00 51.96 52.12 1bwb s ALA 22 Cb -0.11 0.15 -0.06 0.00 0.00 0.00 0.00 23.12 23.11 1bwb s ALA 22 CO 0.16 -0.29 0.64 -0.51 0.00 0.00 0.00 175.76 175.76 1bwb s LEU 23 N -1.55 4.44 -0.38 0.00 1.43 -0.47 -0.34 118.68 121.80 1bwb s LEU 23 Ca -0.11 1.26 -0.29 0.00 -1.03 0.00 0.00 54.13 53.95 1bwb s LEU 23 Cb -0.04 -3.01 0.02 0.00 0.03 0.00 0.00 46.19 43.19 1bwb s LEU 23 CO 0.02 0.10 1.16 -0.76 0.23 0.00 0.00 176.35 177.10 1bwb s LEU 24 N -0.27 3.79 -0.33 1.79 1.02 0.13 -0.47 118.68 124.34 1bwb s LEU 24 Ca 0.33 0.84 0.02 0.00 0.02 0.00 0.00 54.13 55.34 1bwb s LEU 24 Cb -0.19 -3.55 0.10 0.00 0.02 0.00 0.00 46.19 42.57 1bwb s LEU 24 CO 0.19 -1.09 0.07 -0.62 0.02 0.00 0.00 176.35 174.91 1bwb s ASP 25 N 2.30 4.50 0.25 2.29 -1.08 -0.55 -4.79 116.67 119.59 1bwb s ASP 25 Ca 0.49 -1.97 0.24 0.00 -0.52 0.00 0.00 52.55 50.80 1bwb s ASP 25 Cb -0.11 -1.35 0.95 0.00 -1.46 0.00 0.00 42.92 40.95 1bwb s ASP 25 CO 0.24 -0.39 1.73 0.35 0.52 0.00 0.00 175.17 177.62 1bwb n THR 26 N 4.47 0.77 0.92 1.71 -2.24 -1.26 -2.74 114.28 115.91 1bwb n THR 26 Ca 0.02 0.11 0.13 0.00 -2.27 0.00 0.00 64.05 62.04 1bwb n THR 26 Cb 0.42 -1.02 0.50 0.00 -2.10 0.00 0.00 70.33 68.12 1bwb n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bwb n GLY 27 N 0.31 -1.48 3.70 3.38 0.00 -1.26 -4.84 105.19 105.00 1bwb n GLY 27 Ca 0.03 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1bwb n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwb s ALA 28 N -3.02 3.62 0.19 4.61 0.00 -1.11 -4.97 121.76 121.08 1bwb s ALA 28 Ca 0.13 -0.63 0.03 0.00 0.00 0.00 0.00 51.96 51.48 1bwb s ALA 28 Cb 0.17 -2.35 0.09 0.00 0.00 0.00 0.00 23.12 21.03 1bwb s ALA 28 CO 0.58 -0.01 1.44 -0.44 0.00 0.00 0.00 175.76 177.33 1bwb h ASP 29 N 6.98 0.27 -2.23 0.00 3.32 -1.89 0.16 116.42 123.03 1bwb h ASP 29 Ca -0.40 -0.19 -0.60 0.00 0.02 0.00 0.00 57.03 55.86 1bwb h ASP 29 Cb 1.16 -0.08 -0.14 0.00 0.22 0.00 0.00 39.33 40.49 1bwb h ASP 29 CO 0.73 0.94 -0.74 -1.81 -1.72 0.00 0.00 179.24 176.64 1bwb s ASP 30 N -6.92 3.54 -0.10 6.45 1.01 -1.26 -2.41 116.67 116.98 1bwb s ASP 30 Ca -0.03 -1.06 -0.17 0.00 0.71 0.00 0.00 52.55 52.00 1bwb s ASP 30 Cb 0.11 -0.30 -0.05 0.00 1.01 0.00 0.00 42.92 43.69 1bwb s ASP 30 CO 0.82 -0.02 0.43 -0.89 0.21 0.00 0.00 175.17 175.72 1bwb s THR 31 N -2.56 5.17 -0.02 -1.27 2.01 -1.26 -3.62 115.64 114.09 1bwb s THR 31 Ca 0.30 0.85 0.00 0.00 0.31 0.00 0.00 61.69 63.15 1bwb s THR 31 Cb -0.03 -3.76 0.02 0.00 0.01 0.00 0.00 72.50 68.74 1bwb s THR 31 CO 0.15 0.39 0.01 0.54 -0.69 0.00 0.00 174.62 175.02 1bwb s VAL 32 N 0.21 0.08 0.13 3.82 0.11 -0.28 -1.86 120.40 122.62 1bwb s VAL 32 Ca 0.24 0.10 0.10 0.00 -2.93 0.00 0.00 61.98 59.48 1bwb s VAL 32 Cb -0.15 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 1bwb s VAL 32 CO 0.10 0.10 -0.25 -0.76 -3.33 0.00 0.00 175.10 170.96 1bwb s LEU 33 N 0.79 2.33 0.84 2.54 1.43 -0.02 -0.30 118.68 126.29 1bwb s LEU 33 Ca -0.07 -0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 52.17 1bwb s LEU 33 Cb -0.10 -1.10 0.10 0.00 0.03 0.00 0.00 46.19 45.11 1bwb s LEU 33 CO -0.02 0.13 1.14 -1.61 0.23 0.00 0.00 176.35 176.22 1bwb s GLU 34 N -2.09 1.60 0.29 1.70 2.02 -1.26 -0.81 118.70 120.15 1bwb s GLU 34 Ca 0.12 1.46 -0.30 0.00 0.02 0.00 0.00 54.97 56.28 1bwb s GLU 34 Cb -0.10 -1.80 -0.11 0.00 0.10 0.00 0.00 34.13 32.23 1bwb s GLU 34 CO 0.06 -2.18 1.49 -1.83 0.02 0.00 0.00 175.26 172.81 1bwb s GLU 35 N -4.61 4.21 0.19 1.61 1.03 -1.18 -4.47 118.70 115.48 1bwb s GLU 35 Ca 0.66 2.42 -0.23 0.00 0.03 0.00 0.00 54.97 57.85 1bwb s GLU 35 Cb -0.22 -3.06 0.05 0.00 -0.80 0.00 0.00 34.13 30.10 1bwb s GLU 35 CO 0.55 -0.49 0.79 0.00 -1.33 0.00 0.00 175.26 174.79 1bwb s MET 36 N -0.73 1.41 -0.50 -4.83 0.23 -1.26 -5.01 119.30 108.60 1bwb s MET 36 Ca 0.59 -0.72 -0.29 0.00 -1.03 0.00 0.00 55.69 54.24 1bwb s MET 36 Cb -0.44 0.52 0.03 0.00 -1.53 0.00 0.00 34.83 33.40 1bwb s MET 36 CO 0.48 -0.64 1.21 -1.12 -2.03 0.00 0.00 175.02 172.92 1bwb s SER 37 N -2.85 6.51 -0.01 -1.18 0.01 -1.26 -5.03 113.70 109.89 1bwb s SER 37 Ca 0.09 0.42 0.07 0.00 1.31 0.00 0.00 55.95 57.84 1bwb s SER 37 Cb -0.03 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 1bwb s SER 37 CO 0.00 -1.37 -0.22 -0.76 0.41 0.00 0.00 173.24 171.30 1bwb s LEU 38 N 4.83 2.05 0.22 2.44 1.43 -1.26 -4.92 118.68 123.47 1bwb s LEU 38 Ca 0.49 -0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 52.88 1bwb s LEU 38 Cb -0.08 -1.15 -0.09 0.00 0.03 0.00 0.00 46.19 44.90 1bwb s LEU 38 CO 0.30 0.27 1.23 -2.16 0.23 0.00 0.00 176.35 176.23 1bwb s PRO 39 N -0.57 4.46 0.00 1.29 0.04 -1.26 -4.94 135.00 134.02 1bwb s PRO 39 Ca 0.09 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1bwb s PRO 39 Cb -0.09 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1bwb s PRO 39 CO -0.01 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.32 1bwb n GLY 40 N 1.98 0.64 3.91 0.56 0.00 -1.26 -5.03 105.19 105.99 1bwb n GLY 40 Ca 0.04 -2.23 -0.30 0.00 0.00 0.00 0.00 46.02 43.53 1bwb n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bwb s ARG 41 N -0.72 3.56 0.23 1.61 1.81 -1.26 -5.08 118.95 119.10 1bwb s ARG 41 Ca 0.00 -0.22 -0.07 0.00 -1.72 0.00 0.00 55.73 53.72 1bwb s ARG 41 Cb 0.00 -2.86 -0.02 0.00 -0.45 0.00 0.00 34.95 31.62 1bwb s ARG 41 CO 0.00 0.45 0.32 1.67 -0.68 0.00 0.00 175.30 177.06 1bwb s TRP 42 N -1.73 0.73 0.05 -0.53 1.48 -1.26 -4.72 118.94 112.96 1bwb s TRP 42 Ca 0.39 -1.03 0.04 0.00 -1.06 0.00 0.00 56.10 54.44 1bwb s TRP 42 Cb -0.12 -0.16 -0.02 0.00 -1.16 0.00 0.00 33.47 32.01 1bwb s TRP 42 CO 0.27 -0.83 -0.12 -1.59 -4.06 0.00 0.00 176.95 170.62 1bwb s LYS 43 N -4.08 0.73 0.38 3.25 -2.85 -0.86 -4.90 119.74 111.40 1bwb s LYS 43 Ca 0.30 -0.78 -0.25 0.00 -1.00 0.00 0.00 55.97 54.24 1bwb s LYS 43 Cb 0.03 -0.66 -0.09 0.00 -2.06 0.00 0.00 37.83 35.04 1bwb s LYS 43 CO 0.10 0.15 1.02 -1.25 0.10 0.00 0.00 175.35 175.48 1bwb s PRO 44 N -1.40 4.30 0.12 1.78 0.04 -1.26 0.37 135.00 138.93 1bwb s PRO 44 Ca -0.03 1.47 -0.05 0.00 0.04 0.00 0.00 61.00 62.42 1bwb s PRO 44 Cb -0.09 -2.62 -0.02 0.00 0.04 0.00 0.00 34.50 31.81 1bwb s PRO 44 CO 0.01 -0.02 0.14 0.21 0.04 0.00 0.00 177.00 177.39 1bwb s LYS 45 N -2.36 0.91 -0.05 4.56 2.20 0.66 -4.85 119.74 120.82 1bwb s LYS 45 Ca 0.55 -1.20 0.04 0.00 -0.36 0.00 0.00 55.97 55.00 1bwb s LYS 45 Cb -0.21 0.30 -0.00 0.00 -1.51 0.00 0.00 37.83 36.41 1bwb s LYS 45 CO 0.27 -0.28 -0.18 1.41 -0.36 0.00 0.00 175.35 176.20 1bwb s MET 46 N -3.96 1.92 0.20 4.03 -2.45 -1.26 0.01 119.30 117.78 1bwb s MET 46 Ca 0.14 -0.64 0.05 0.00 -1.25 0.00 0.00 55.69 53.99 1bwb s MET 46 Cb 0.06 -1.64 -0.05 0.00 1.25 0.00 0.00 34.83 34.44 1bwb s MET 46 CO -0.04 0.25 -0.08 0.96 1.05 0.00 0.00 175.02 177.16 1bwb s ILE 47 N 0.05 1.30 0.07 10.11 -4.36 0.84 -4.95 121.20 124.26 1bwb s ILE 47 Ca -0.05 -2.09 0.08 0.00 -0.26 0.00 0.00 60.65 58.33 1bwb s ILE 47 Cb -0.12 -2.09 -0.04 0.00 1.25 0.00 0.00 42.46 41.46 1bwb s ILE 47 CO 0.03 -0.55 -0.19 -0.83 0.24 0.00 0.00 174.94 173.64 1bwb s GLY 48 N -3.27 1.61 0.00 6.27 0.00 -1.26 -0.22 107.32 110.46 1bwb s GLY 48 Ca 0.23 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1bwb s GLY 48 CO 0.05 -1.19 0.00 0.61 0.00 0.00 0.00 173.10 172.57 1bwb n GLY 49 N 1.26 4.35 3.71 0.20 0.00 0.11 -5.00 105.19 109.83 1bwb n GLY 49 Ca -0.16 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 1bwb n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bwb s ILE 50 N -1.68 4.71 0.00 -0.61 1.01 -1.26 -2.79 121.20 120.58 1bwb s ILE 50 Ca 0.00 2.01 0.00 0.00 0.00 0.00 0.00 60.65 62.66 1bwb s ILE 50 Cb 0.00 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.18 1bwb s ILE 50 CO 0.00 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.74 1bwb n GLY 51 N 2.77 2.20 0.00 6.18 0.00 -1.26 -4.98 105.19 110.10 1bwb n GLY 51 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1bwb n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwb n GLY 52 N 0.00 0.55 3.36 -0.02 0.00 -1.12 -5.09 105.19 102.86 1bwb n GLY 52 Ca 0.00 -1.41 -0.28 0.00 0.00 0.00 0.00 46.02 44.33 1bwb n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bwb s PHE 53 N -3.91 2.21 0.13 1.61 -0.71 -1.26 0.08 117.98 116.13 1bwb s PHE 53 Ca 0.00 -0.39 0.04 0.00 -1.04 0.00 0.00 56.93 55.54 1bwb s PHE 53 Cb 0.00 -1.23 -0.04 0.00 -1.21 0.00 0.00 43.02 40.54 1bwb s PHE 53 CO 0.00 0.26 -0.10 0.96 -1.34 0.00 0.00 175.22 175.01 1bwb s ILE 54 N -1.01 1.07 -0.12 -4.49 -4.36 0.70 -4.96 121.20 108.03 1bwb s ILE 54 Ca 0.12 -1.95 -0.05 0.00 -0.26 0.00 0.00 60.65 58.51 1bwb s ILE 54 Cb -0.10 -1.72 -0.04 0.00 1.25 0.00 0.00 42.46 41.86 1bwb s ILE 54 CO 0.05 -0.71 0.06 -0.75 0.24 0.00 0.00 174.94 173.83 1bwb s LYS 55 N -3.52 3.42 0.10 0.37 2.20 -1.26 -0.11 119.74 120.94 1bwb s LYS 55 Ca 0.13 -0.30 -0.00 0.00 -0.36 0.00 0.00 55.97 55.44 1bwb s LYS 55 Cb 0.01 -3.04 -0.04 0.00 -1.51 0.00 0.00 37.83 33.25 1bwb s LYS 55 CO -0.00 0.60 -0.01 0.14 -0.36 0.00 0.00 175.35 175.73 1bwb s VAL 56 N -0.57 0.34 -0.23 4.02 -7.23 0.10 -4.46 120.40 112.37 1bwb s VAL 56 Ca 0.11 -1.89 -0.11 0.00 -1.81 0.00 0.00 61.98 58.28 1bwb s VAL 56 Cb -0.12 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 1bwb s VAL 56 CO 0.02 -0.75 0.20 -0.13 -0.31 0.00 0.00 175.10 174.13 1bwb s ARG 57 N -3.94 4.11 -0.16 4.82 0.52 -0.08 -0.24 118.95 123.96 1bwb s ARG 57 Ca 0.15 -0.18 -0.19 0.00 -0.52 0.00 0.00 55.73 54.99 1bwb s ARG 57 Cb 0.07 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.98 1bwb s ARG 57 CO -0.04 0.08 0.52 -1.14 0.02 0.00 0.00 175.30 174.74 1bwb s GLN 58 N 1.00 4.26 -0.10 3.54 0.74 0.16 -0.64 119.66 128.61 1bwb s GLN 58 Ca 0.10 0.46 0.02 0.00 0.05 0.00 0.00 55.36 55.98 1bwb s GLN 58 Cb -0.13 -3.51 -0.02 0.00 1.10 0.00 0.00 33.01 30.45 1bwb s GLN 58 CO 0.04 -0.03 -0.15 0.71 -0.55 0.00 0.00 175.29 175.31 1bwb s TYR 59 N 1.23 2.73 0.33 1.67 1.51 0.42 -2.04 117.35 123.20 1bwb s TYR 59 Ca 0.26 -0.53 0.07 0.00 -1.01 0.00 0.00 57.07 55.86 1bwb s TYR 59 Cb -0.15 -1.75 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1bwb s TYR 59 CO 0.10 -0.10 0.30 -0.51 -1.11 0.00 0.00 175.55 174.22 1bwb s ASP 60 N -0.03 5.35 -1.42 2.29 1.01 -1.26 -0.27 116.67 122.33 1bwb s ASP 60 Ca -0.04 -0.46 -0.02 0.00 0.71 0.00 0.00 52.55 52.74 1bwb s ASP 60 Cb -0.14 -1.02 0.01 0.00 1.01 0.00 0.00 42.92 42.78 1bwb s ASP 60 CO 0.04 -0.34 0.15 0.00 0.21 0.00 0.00 175.17 175.24 1bwb n GLN 61 N -1.38 -2.60 -3.10 8.23 1.13 -1.13 -4.89 117.38 113.64 1bwb n GLN 61 Ca -0.02 0.78 -0.39 0.00 -1.94 0.00 0.00 57.00 55.43 1bwb n GLN 61 Cb 0.59 -5.46 -0.05 0.00 0.11 0.00 0.00 30.24 25.43 1bwb n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1bwb s ILE 62 N -2.89 4.85 -0.14 5.09 -1.09 0.60 -4.66 121.20 122.96 1bwb s ILE 62 Ca 0.09 1.42 -0.27 0.00 -2.23 0.00 0.00 60.65 59.65 1bwb s ILE 62 Cb -0.04 -4.01 -0.01 0.00 -1.58 0.00 0.00 42.46 36.81 1bwb s ILE 62 CO 0.11 0.38 0.91 -0.22 -1.23 0.00 0.00 174.94 174.89 1bwb s LEU 63 N -0.04 4.21 -0.00 2.97 2.96 -1.26 -0.81 118.68 126.70 1bwb s LEU 63 Ca 0.35 1.34 0.08 0.00 -0.22 0.00 0.00 54.13 55.67 1bwb s LEU 63 Cb -0.19 -3.38 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 1bwb s LEU 63 CO 0.20 -0.42 -0.24 -0.63 -1.32 0.00 0.00 176.35 173.94 1bwb s ILE 64 N 2.07 1.88 -0.21 6.68 1.09 0.48 -4.43 121.20 128.77 1bwb s ILE 64 Ca 0.43 -1.08 -0.04 0.00 -1.10 0.00 0.00 60.65 58.86 1bwb s ILE 64 Cb -0.17 -1.57 -0.01 0.00 -1.06 0.00 0.00 42.46 39.64 1bwb s ILE 64 CO 0.15 0.47 -0.03 -1.61 -0.10 0.00 0.00 174.94 173.82 1bwb s GLU 65 N -0.70 3.45 -0.18 2.79 2.02 -0.46 -0.62 118.70 124.99 1bwb s GLU 65 Ca 0.09 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.50 1bwb s GLU 65 Cb -0.09 -3.02 0.02 0.00 0.10 0.00 0.00 34.13 31.14 1bwb s GLU 65 CO -0.00 -0.12 -0.20 0.42 0.02 0.00 0.00 175.26 175.38 1bwb s ILE 66 N 1.30 2.06 0.00 -1.63 1.01 0.99 0.01 121.20 124.95 1bwb s ILE 66 Ca 0.04 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1bwb s ILE 66 Cb -0.14 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.45 1bwb s ILE 66 CO -0.01 0.51 0.00 0.00 0.00 0.00 0.00 174.94 175.44 1bwb n GLY 68 N 0.00 -0.59 3.72 0.00 0.00 -1.26 -4.88 105.19 102.18 1bwb n GLY 68 Ca 0.00 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 1bwb n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bwb s HIS 69 N -1.99 3.45 0.12 1.61 4.02 -0.30 -5.01 115.29 117.19 1bwb s HIS 69 Ca 0.42 0.58 -0.07 0.00 1.02 0.00 0.00 55.06 57.01 1bwb s HIS 69 Cb 0.21 -2.34 -0.06 0.00 -1.02 0.00 0.00 32.58 29.37 1bwb s HIS 69 CO 0.34 0.23 0.39 0.15 1.02 0.00 0.00 174.74 176.87 1bwb s LYS 70 N 0.51 3.69 0.13 1.40 1.02 -1.26 -0.00 119.74 125.22 1bwb s LYS 70 Ca 0.16 0.05 -0.10 0.00 0.02 0.00 0.00 55.97 56.10 1bwb s LYS 70 Cb -0.13 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.28 1bwb s LYS 70 CO 0.04 0.50 0.27 0.00 -0.92 0.00 0.00 175.35 175.24 1bwb s ALA 71 N -1.55 -0.23 -0.05 5.17 0.00 0.21 -4.94 121.76 120.38 1bwb s ALA 71 Ca 0.38 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.69 1bwb s ALA 71 Cb -0.13 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.70 1bwb s ALA 71 CO 0.21 -0.60 -0.10 0.42 0.00 0.00 0.00 175.76 175.69 1bwb s ILE 72 N -3.90 0.93 0.02 0.00 1.01 -1.26 -0.38 121.20 117.62 1bwb s ILE 72 Ca 0.10 -0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 1bwb s ILE 72 Cb 0.04 -0.85 0.01 0.00 0.01 0.00 0.00 42.46 41.67 1bwb s ILE 72 CO -0.06 0.30 0.18 0.61 0.00 0.00 0.00 174.94 175.97 1bwb n GLY 73 N 3.64 1.07 3.73 6.18 0.00 0.01 -4.85 105.19 114.97 1bwb n GLY 73 Ca -0.22 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 1bwb n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwb s THR 74 N -2.42 4.26 0.00 2.61 2.01 -1.26 -0.29 115.64 120.55 1bwb s THR 74 Ca 0.04 1.96 0.06 0.00 0.31 0.00 0.00 61.69 64.06 1bwb s THR 74 Cb -0.00 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 1bwb s THR 74 CO 0.01 0.34 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.39 1bwb s VAL 75 N -0.28 1.55 -0.11 3.82 1.01 0.62 -4.59 120.40 122.42 1bwb s VAL 75 Ca 0.46 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 1bwb s VAL 75 Cb -0.25 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1bwb s VAL 75 CO 0.32 0.36 -0.04 -0.76 0.00 0.00 0.00 175.10 174.98 1bwb s LEU 76 N -0.65 3.29 -0.08 3.92 1.43 -0.77 -0.44 118.68 125.38 1bwb s LEU 76 Ca 0.07 -0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.20 1bwb s LEU 76 Cb -0.08 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 1bwb s LEU 76 CO -0.00 0.29 -0.23 -0.69 0.23 0.00 0.00 176.35 175.95 1bwb s VAL 77 N -0.38 2.19 -0.03 -1.59 1.01 0.18 -0.84 120.40 120.94 1bwb s VAL 77 Ca 0.06 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 1bwb s VAL 77 Cb -0.12 -1.82 0.10 0.00 0.00 0.00 0.00 36.38 34.54 1bwb s VAL 77 CO 0.02 0.56 1.30 -0.83 0.00 0.00 0.00 175.10 176.16 1bwb s GLY 78 N 0.00 -0.19 -1.38 4.51 0.00 0.01 -0.91 107.32 109.37 1bwb s GLY 78 Ca -0.08 0.17 -0.14 0.00 0.00 0.00 0.00 44.72 44.66 1bwb s GLY 78 CO 0.05 4.85 2.31 -1.55 0.00 0.00 0.00 173.10 178.76 1bwb n PRO 79 N -0.84 2.79 -3.65 2.90 -0.04 -1.26 -3.09 135.00 131.80 1bwb n PRO 79 Ca 0.02 -2.40 -0.31 0.00 -0.04 0.00 0.00 63.50 60.77 1bwb n PRO 79 Cb 0.59 -3.13 -0.05 0.00 -0.04 0.00 0.00 33.50 30.88 1bwb n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1bwb s THR 80 N 3.27 5.15 0.27 0.52 -1.32 -1.26 -4.98 115.64 117.29 1bwb s THR 80 Ca 0.52 0.04 0.36 0.00 -1.21 0.00 0.00 61.69 61.40 1bwb s THR 80 Cb 0.15 -3.63 0.40 0.00 -1.51 0.00 0.00 72.50 67.91 1bwb s THR 80 CO -0.06 0.01 2.10 -0.65 -2.21 0.00 0.00 174.62 173.81 1bwb h PRO 81 N 2.73 0.00 -2.57 7.08 0.11 -1.98 -3.43 132.00 133.93 1bwb h PRO 81 Ca -0.46 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 1bwb h PRO 81 Cb 1.17 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.08 1bwb h PRO 81 CO 0.72 0.01 -0.08 0.12 -0.21 0.00 0.00 178.00 178.56 1bwb s PHE 82 N -3.82 -0.42 -0.01 0.65 5.36 -1.26 -5.07 117.98 113.41 1bwb s PHE 82 Ca -0.01 0.75 -0.30 0.00 -0.96 0.00 0.00 56.93 56.41 1bwb s PHE 82 Cb 0.10 0.23 -0.04 0.00 -0.34 0.00 0.00 43.02 42.97 1bwb s PHE 82 CO 0.51 -0.45 1.24 -0.80 -1.46 0.00 0.00 175.22 174.25 1bwb s ASN 83 N -1.04 7.02 -0.08 6.13 0.01 -1.26 -4.68 114.94 121.05 1bwb s ASN 83 Ca -0.11 1.93 0.03 0.00 -0.71 0.00 0.00 52.86 54.01 1bwb s ASN 83 Cb -0.03 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.07 1bwb s ASN 83 CO 0.06 -0.57 -0.18 0.68 -1.51 0.00 0.00 177.10 175.58 1bwb s VAL 84 N 1.88 1.57 -0.28 1.60 -7.23 0.59 -1.37 120.40 117.16 1bwb s VAL 84 Ca 0.58 -0.74 -0.18 0.00 -1.81 0.00 0.00 61.98 59.83 1bwb s VAL 84 Cb -0.27 -1.38 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 1bwb s VAL 84 CO 0.25 0.45 0.53 -0.63 -0.31 0.00 0.00 175.10 175.39 1bwb s ILE 85 N 0.44 5.04 0.12 -0.62 -1.09 0.39 -1.12 121.20 124.35 1bwb s ILE 85 Ca -0.15 0.77 0.02 0.00 -2.23 0.00 0.00 60.65 59.06 1bwb s ILE 85 Cb -0.16 -3.88 0.02 0.00 -1.58 0.00 0.00 42.46 36.86 1bwb s ILE 85 CO 0.06 -0.00 0.13 0.61 -1.23 0.00 0.00 174.94 174.50 1bwb n GLY 86 N 4.48 2.42 0.25 6.18 0.00 -1.24 -1.48 105.19 115.80 1bwb n GLY 86 Ca -0.04 -2.17 0.11 0.00 0.00 0.00 0.00 46.02 43.92 1bwb n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bwb h ARG 87 N 0.00 0.00 -0.78 1.61 3.08 -0.60 -0.83 114.38 116.86 1bwb h ARG 87 Ca -0.06 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.11 1bwb h ARG 87 Cb 0.26 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 1bwb h ARG 87 CO 0.10 0.16 0.51 -2.95 -1.07 0.00 0.00 179.97 176.72 1bwb h ASN 88 N 0.00 0.53 0.22 7.04 -1.07 -1.73 -2.23 115.58 118.35 1bwb h ASN 88 Ca -0.00 0.02 -0.24 0.00 0.07 0.00 0.00 56.30 56.16 1bwb h ASN 88 Cb 0.41 -0.09 -0.04 0.00 -2.07 0.00 0.00 38.32 36.53 1bwb h ASN 88 CO 0.02 0.29 -2.00 0.18 0.07 0.00 0.00 177.43 175.99 1bwb n LEU 89 N -4.51 0.30 0.10 6.14 4.77 -0.42 -4.27 117.00 119.11 1bwb n LEU 89 Ca 0.14 0.13 0.02 0.00 -0.03 0.00 0.00 56.01 56.27 1bwb n LEU 89 Cb 0.43 0.26 0.38 0.00 -2.33 0.00 0.00 43.42 42.16 1bwb n LEU 89 CO 0.32 0.30 0.90 -0.07 -1.33 0.00 0.00 177.39 177.50 1bwb h LEU 90 N 0.00 0.27 -0.99 2.23 3.38 -0.87 0.97 115.31 120.29 1bwb h LEU 90 Ca -0.31 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.66 1bwb h LEU 90 Cb 1.80 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 42.42 1bwb h LEU 90 CO 0.03 0.41 0.64 0.74 0.09 0.00 0.00 178.44 180.35 1bwb h THR 91 N 0.27 1.10 0.00 0.22 2.02 -1.62 -0.77 112.91 114.13 1bwb h THR 91 Ca 0.06 -0.40 -0.10 0.00 0.77 0.00 0.00 66.41 66.73 1bwb h THR 91 Cb 0.36 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 1bwb h THR 91 CO 0.02 0.21 -0.50 1.56 0.37 0.00 0.00 175.52 177.19 1bwb h GLN 92 N 1.18 0.00 -0.36 6.66 4.20 -0.99 -2.71 115.11 123.08 1bwb h GLN 92 Ca 0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 1bwb h GLN 92 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1bwb h GLN 92 CO -0.16 0.50 0.00 0.44 -0.67 0.00 0.00 178.83 178.94 1bwb n ILE 93 N -3.45 0.48 -2.07 2.54 -5.35 -1.03 -4.93 119.36 105.55 1bwb n ILE 93 Ca 0.00 -0.57 -0.03 0.00 -0.27 0.00 0.00 62.75 61.88 1bwb n ILE 93 Cb 0.63 0.47 -0.00 0.00 -1.74 0.00 0.00 39.64 39.00 1bwb n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bwb n GLY 94 N 1.27 0.28 3.72 3.28 0.00 -0.92 -5.00 105.19 107.82 1bwb n GLY 94 Ca 0.17 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 1bwb n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwb s THR 96 N 0.47 2.29 0.01 0.00 -4.23 -1.26 -4.74 115.64 108.18 1bwb s THR 96 Ca 0.51 -2.34 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 1bwb s THR 96 Cb -0.24 -2.31 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 1bwb s THR 96 CO 0.30 -0.40 0.08 -0.76 -0.54 0.00 0.00 174.62 173.30 1bwb s LEU 97 N -3.49 3.87 -0.05 4.79 1.43 -1.26 -5.10 118.68 118.88 1bwb s LEU 97 Ca 0.29 0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 53.48 1bwb s LEU 97 Cb -0.03 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 43.90 1bwb s LEU 97 CO 0.14 0.25 0.11 0.20 0.23 0.00 0.00 176.35 177.28 1bwb s ASN 98 N -1.86 -0.09 0.00 2.29 -0.87 -1.26 -5.29 114.94 107.86 1bwb s ASN 98 Ca 0.24 0.22 0.00 0.00 -1.57 0.00 0.00 52.86 51.75 1bwb s ASN 98 Cb -0.12 0.17 0.00 0.00 -0.02 0.00 0.00 41.25 41.28 1bwb s ASN 98 CO 0.16 -0.09 0.00 2.22 -2.57 0.00 0.00 177.10 176.82