#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 3.71 -0.07 0.54 0.74 -1.26 -5.09 119.66 118.23 1bwb s GLN 2 Ca 0.00 0.09 0.02 0.00 0.05 0.00 0.00 55.36 55.52 1bwb s GLN 2 Cb 0.00 -3.00 0.01 0.00 1.10 0.00 0.00 33.01 31.13 1bwb s GLN 2 CO 0.00 0.57 -0.13 0.08 -0.55 0.00 0.00 175.29 175.26 1bwb s VAL 3 N -1.41 1.17 0.53 1.34 1.01 -1.26 -5.14 120.40 116.64 1bwb s VAL 3 Ca 0.33 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1bwb s VAL 3 Cb -0.14 -1.07 0.04 0.00 0.00 0.00 0.00 36.38 35.22 1bwb s VAL 3 CO 0.18 0.36 0.74 0.42 0.00 0.00 0.00 175.10 176.81 1bwb s THR 4 N 0.68 2.68 -0.23 3.92 -4.23 -1.26 -5.02 115.64 112.17 1bwb s THR 4 Ca -0.14 -0.76 0.13 0.00 -1.18 0.00 0.00 61.69 59.74 1bwb s THR 4 Cb -0.16 -2.92 0.54 0.00 1.34 0.00 0.00 72.50 71.30 1bwb s THR 4 CO 0.04 0.00 1.47 0.18 -0.54 0.00 0.00 174.62 175.77 1bwb n LEU 5 N -2.26 4.18 0.24 4.79 4.77 -1.26 -4.40 117.00 123.06 1bwb n LEU 5 Ca 0.09 -3.31 0.14 0.00 -0.03 0.00 0.00 56.01 52.89 1bwb n LEU 5 Cb 0.60 -0.60 0.42 0.00 -2.33 0.00 0.00 43.42 41.51 1bwb n LEU 5 CO 0.43 0.89 0.87 -0.50 -1.33 0.00 0.00 177.39 177.76 1bwb h TRP 6 N 1.52 0.00 -2.88 -1.77 4.06 -2.07 -3.44 115.95 111.39 1bwb h TRP 6 Ca 0.11 0.00 -0.45 0.00 2.06 0.00 0.00 58.89 60.61 1bwb h TRP 6 Cb 1.62 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.63 1bwb h TRP 6 CO 0.76 0.06 -0.71 -0.65 -3.56 0.00 0.00 178.44 174.33 1bwb s GLN 7 N -3.45 1.37 0.32 0.49 -0.21 -1.26 -5.11 119.66 111.81 1bwb s GLN 7 Ca 0.03 -1.63 -0.29 0.00 0.02 0.00 0.00 55.36 53.49 1bwb s GLN 7 Cb 0.08 -1.07 -0.11 0.00 1.00 0.00 0.00 33.01 32.90 1bwb s GLN 7 CO 0.61 0.13 1.56 0.54 -2.12 0.00 0.00 175.29 176.02 1bwb n ARG 8 N -0.42 2.71 -2.63 2.91 1.74 -1.26 -4.86 116.66 114.84 1bwb n ARG 8 Ca -0.07 0.96 -0.43 0.00 -0.77 0.00 0.00 57.85 57.54 1bwb n ARG 8 Cb 0.61 -2.73 -0.00 0.00 -1.02 0.00 0.00 32.46 29.32 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 -1.06 3.94 0.13 5.56 0.04 -1.26 -4.96 135.00 137.39 1bwb s PRO 9 Ca 0.60 -1.95 -0.12 0.00 0.04 0.00 0.00 61.00 59.57 1bwb s PRO 9 Cb -0.49 -5.44 -0.06 0.00 0.04 0.00 0.00 34.50 28.55 1bwb s PRO 9 CO 0.54 -2.18 0.49 -0.51 0.04 0.00 0.00 177.00 175.38 1bwb s LEU 10 N 3.94 4.33 0.07 -3.56 1.02 -1.26 -0.89 118.68 122.33 1bwb s LEU 10 Ca 0.51 0.96 0.01 0.00 0.02 0.00 0.00 54.13 55.63 1bwb s LEU 10 Cb 0.02 -3.18 -0.04 0.00 0.02 0.00 0.00 46.19 43.01 1bwb s LEU 10 CO 0.04 0.12 -0.06 0.54 0.02 0.00 0.00 176.35 177.01 1bwb s VAL 11 N -1.46 0.52 -0.03 -1.59 0.11 0.47 -4.93 120.40 113.48 1bwb s VAL 11 Ca 0.37 -1.63 -0.22 0.00 -2.93 0.00 0.00 61.98 57.56 1bwb s VAL 11 Cb -0.14 -1.29 -0.05 0.00 -1.53 0.00 0.00 36.38 33.37 1bwb s VAL 11 CO 0.19 -0.76 0.65 -0.89 -3.33 0.00 0.00 175.10 170.96 1bwb s THR 12 N -3.00 4.96 0.15 5.04 2.01 -1.26 -0.97 115.64 122.56 1bwb s THR 12 Ca 0.04 1.34 0.10 0.00 0.31 0.00 0.00 61.69 63.48 1bwb s THR 12 Cb 0.01 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1bwb s THR 12 CO -0.04 0.34 -0.19 0.27 -0.69 0.00 0.00 174.62 174.31 1bwb s ILE 13 N 0.28 2.74 -0.12 1.82 -4.36 0.44 -1.81 121.20 120.19 1bwb s ILE 13 Ca 0.34 -1.67 0.03 0.00 -0.26 0.00 0.00 60.65 59.09 1bwb s ILE 13 Cb -0.18 -2.28 0.00 0.00 1.25 0.00 0.00 42.46 41.25 1bwb s ILE 13 CO 0.18 0.02 -0.21 -0.75 0.24 0.00 0.00 174.94 174.41 1bwb s LYS 14 N -2.37 3.10 -0.16 0.37 2.20 0.86 -0.63 119.74 123.12 1bwb s LYS 14 Ca 0.19 -0.84 -0.10 0.00 -0.36 0.00 0.00 55.97 54.87 1bwb s LYS 14 Cb -0.10 -2.40 0.05 0.00 -1.51 0.00 0.00 37.83 33.87 1bwb s LYS 14 CO 0.10 0.12 0.38 -1.50 -0.36 0.00 0.00 175.35 174.10 1bwb s ILE 15 N 0.50 -0.02 -1.67 5.43 2.07 0.09 -1.00 121.20 126.60 1bwb s ILE 15 Ca -0.14 0.08 -0.02 0.00 -1.41 0.00 0.00 60.65 59.16 1bwb s ILE 15 Cb -0.17 -0.57 0.00 0.00 0.13 0.00 0.00 42.46 41.86 1bwb s ILE 15 CO 0.05 0.03 0.26 0.61 -1.91 0.00 0.00 174.94 173.98 1bwb n GLY 16 N 3.95 -0.51 3.14 1.50 0.00 -1.26 -0.47 105.19 111.54 1bwb n GLY 16 Ca -0.21 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.22 0.99 3.47 -0.02 0.00 -1.26 -4.99 105.19 102.17 1bwb n GLY 17 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.12 1.71 -0.20 1.61 -0.21 0.38 -5.11 119.66 117.72 1bwb s GLN 18 Ca 0.00 -1.27 -0.08 0.00 0.02 0.00 0.00 55.36 54.03 1bwb s GLN 18 Cb 0.00 -2.04 -0.04 0.00 1.00 0.00 0.00 33.01 31.92 1bwb s GLN 18 CO 0.00 0.46 0.09 -0.51 -2.12 0.00 0.00 175.29 173.21 1bwb s LEU 19 N -2.29 3.91 0.25 2.90 1.02 -1.26 -0.73 118.68 122.48 1bwb s LEU 19 Ca 0.18 0.09 0.01 0.00 0.02 0.00 0.00 54.13 54.44 1bwb s LEU 19 Cb -0.10 -2.01 -0.04 0.00 0.02 0.00 0.00 46.19 44.06 1bwb s LEU 19 CO 0.10 0.14 0.14 -0.54 0.02 0.00 0.00 176.35 176.21 1bwb s LYS 20 N 0.58 1.38 0.09 1.70 1.02 0.20 -4.99 119.74 119.72 1bwb s LYS 20 Ca 0.05 -1.75 0.09 0.00 0.02 0.00 0.00 55.97 54.37 1bwb s LYS 20 Cb -0.13 0.09 -0.04 0.00 -0.52 0.00 0.00 37.83 37.24 1bwb s LYS 20 CO 0.01 -0.41 -0.19 -2.00 -0.92 0.00 0.00 175.35 171.84 1bwb s GLU 21 N -4.00 1.82 0.03 1.68 2.12 -1.26 -0.42 118.70 118.68 1bwb s GLU 21 Ca 0.38 -1.14 -0.17 0.00 0.36 0.00 0.00 54.97 54.40 1bwb s GLU 21 Cb 0.06 -2.11 0.03 0.00 0.26 0.00 0.00 34.13 32.38 1bwb s GLU 21 CO 0.15 0.50 0.38 0.00 -0.54 0.00 0.00 175.26 175.74 1bwb s ALA 22 N -1.06 -0.92 -0.14 6.30 0.00 -0.15 -4.58 121.76 121.22 1bwb s ALA 22 Ca 0.16 0.29 -0.11 0.00 0.00 0.00 0.00 51.96 52.30 1bwb s ALA 22 Cb -0.10 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 1bwb s ALA 22 CO 0.08 -0.40 0.23 -1.17 0.00 0.00 0.00 175.76 174.50 1bwb s LEU 23 N -1.84 4.30 -0.39 0.00 2.96 -0.28 -0.40 118.68 123.03 1bwb s LEU 23 Ca -0.07 0.48 -0.29 0.00 -0.22 0.00 0.00 54.13 54.03 1bwb s LEU 23 Cb -0.02 -2.25 0.02 0.00 0.50 0.00 0.00 46.19 44.44 1bwb s LEU 23 CO -0.01 0.22 1.15 -0.76 -1.32 0.00 0.00 176.35 175.64 1bwb s LEU 24 N -0.12 3.77 -0.38 -0.68 1.43 -0.07 -0.62 118.68 122.01 1bwb s LEU 24 Ca 0.15 0.80 0.03 0.00 -1.03 0.00 0.00 54.13 54.08 1bwb s LEU 24 Cb -0.13 -3.55 0.11 0.00 0.03 0.00 0.00 46.19 42.66 1bwb s LEU 24 CO 0.04 -1.11 0.11 -0.62 0.23 0.00 0.00 176.35 175.00 1bwb s ASP 25 N 2.30 4.54 0.34 2.29 -1.08 -0.06 -4.80 116.67 120.20 1bwb s ASP 25 Ca 0.49 -2.30 0.26 0.00 -0.52 0.00 0.00 52.55 50.48 1bwb s ASP 25 Cb -0.11 -1.52 1.17 0.00 -1.46 0.00 0.00 42.92 41.01 1bwb s ASP 25 CO 0.25 -0.35 1.78 0.71 0.52 0.00 0.00 175.17 178.08 1bwb h THR 26 N 6.30 0.00 -0.00 1.71 1.35 -1.94 -2.77 112.91 117.56 1bwb h THR 26 Ca -0.06 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1bwb h THR 26 Cb 0.99 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1bwb h THR 26 CO 0.55 0.00 -0.21 0.61 -0.25 0.00 0.00 175.52 176.22 1bwb n GLY 27 N -0.34 -0.93 3.72 5.82 0.00 -1.26 -4.83 105.19 107.37 1bwb n GLY 27 Ca 0.01 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.61 3.66 0.16 4.61 0.00 -1.04 -4.97 121.76 121.57 1bwb s ALA 28 Ca 0.23 -0.70 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 1bwb s ALA 28 Cb 0.19 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 21.20 1bwb s ALA 28 CO 0.53 0.17 1.41 -0.44 0.00 0.00 0.00 175.76 177.43 1bwb h ASP 29 N 6.65 0.58 -2.11 0.00 3.32 -1.89 0.10 116.42 123.08 1bwb h ASP 29 Ca -0.41 -0.38 -0.59 0.00 0.02 0.00 0.00 57.03 55.67 1bwb h ASP 29 Cb 1.15 -0.17 -0.12 0.00 0.22 0.00 0.00 39.33 40.41 1bwb h ASP 29 CO 0.75 1.12 -0.69 -1.81 -1.72 0.00 0.00 179.24 176.90 1bwb s ASP 30 N -7.00 3.98 -0.07 6.45 1.01 -1.26 -2.17 116.67 117.61 1bwb s ASP 30 Ca -0.07 -0.95 -0.16 0.00 0.71 0.00 0.00 52.55 52.09 1bwb s ASP 30 Cb 0.10 -0.50 -0.05 0.00 1.01 0.00 0.00 42.92 43.49 1bwb s ASP 30 CO 0.85 -0.06 0.41 -0.89 0.21 0.00 0.00 175.17 175.69 1bwb s THR 31 N -2.48 5.14 -0.06 -1.27 2.01 -1.26 -3.63 115.64 114.10 1bwb s THR 31 Ca 0.32 0.83 -0.01 0.00 0.31 0.00 0.00 61.69 63.13 1bwb s THR 31 Cb -0.03 -3.74 0.03 0.00 0.01 0.00 0.00 72.50 68.77 1bwb s THR 31 CO 0.17 0.45 0.02 -0.69 -0.69 0.00 0.00 174.62 173.88 1bwb s VAL 32 N -0.14 0.21 0.11 3.82 1.01 -0.65 -1.84 120.40 122.92 1bwb s VAL 32 Ca 0.23 0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.51 1bwb s VAL 32 Cb -0.15 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1bwb s VAL 32 CO 0.10 0.22 -0.21 -0.76 0.00 0.00 0.00 175.10 174.46 1bwb s LEU 33 N 1.88 2.57 0.98 3.92 1.43 0.36 -0.41 118.68 129.41 1bwb s LEU 33 Ca 0.03 -0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 52.41 1bwb s LEU 33 Cb -0.12 -1.44 0.19 0.00 0.03 0.00 0.00 46.19 44.84 1bwb s LEU 33 CO -0.04 0.19 1.12 -0.70 0.23 0.00 0.00 176.35 177.14 1bwb s GLU 34 N -2.06 0.47 0.03 1.70 -6.30 -1.25 -0.31 118.70 110.98 1bwb s GLU 34 Ca 0.16 1.40 -0.37 0.00 -2.50 0.00 0.00 54.97 53.67 1bwb s GLU 34 Cb -0.10 -1.67 -0.16 0.00 0.00 0.00 0.00 34.13 32.19 1bwb s GLU 34 CO 0.08 -2.96 1.48 0.39 0.02 0.00 0.00 175.26 174.27 1bwb n GLU 35 N -4.45 1.38 -3.63 4.30 -0.58 -1.12 -4.34 120.64 112.20 1bwb n GLU 35 Ca 0.10 0.50 -0.10 0.00 -0.42 0.00 0.00 57.16 57.24 1bwb n GLU 35 Cb 0.52 -2.18 -0.02 0.00 -0.57 0.00 0.00 31.44 29.19 1bwb n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1bwb s MET 36 N 1.24 1.50 -0.63 3.49 0.23 -1.26 -5.01 119.30 118.85 1bwb s MET 36 Ca 0.86 -0.72 -0.27 0.00 -1.03 0.00 0.00 55.69 54.53 1bwb s MET 36 Cb -0.91 0.59 0.03 0.00 -1.53 0.00 0.00 34.83 33.01 1bwb s MET 36 CO 0.48 -0.67 1.20 -1.12 -2.03 0.00 0.00 175.02 172.88 1bwb s SER 37 N -2.83 6.34 0.02 -1.18 0.01 -1.26 -5.00 113.70 109.79 1bwb s SER 37 Ca 0.06 -0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.21 1bwb s SER 37 Cb -0.03 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 1bwb s SER 37 CO -0.04 -1.58 -0.01 -0.76 0.41 0.00 0.00 173.24 171.27 1bwb s LEU 38 N 5.11 3.47 0.66 2.44 1.43 -1.26 -4.92 118.68 125.61 1bwb s LEU 38 Ca 0.39 -0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 53.33 1bwb s LEU 38 Cb -0.08 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 1bwb s LEU 38 CO 0.21 0.26 1.04 -2.16 0.23 0.00 0.00 176.35 175.94 1bwb s PRO 39 N -1.67 3.14 0.00 1.29 0.04 -1.26 -5.00 135.00 131.54 1bwb s PRO 39 Ca 0.20 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1bwb s PRO 39 Cb -0.11 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1bwb s PRO 39 CO 0.11 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.75 1bwb n GLY 40 N -2.85 -0.12 3.91 0.56 0.00 -1.26 -5.00 105.19 100.43 1bwb n GLY 40 Ca 0.06 -2.26 -0.32 0.00 0.00 0.00 0.00 46.02 43.50 1bwb n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1bwb s ARG 41 N 0.00 3.49 0.18 1.61 1.70 -1.26 -5.09 118.95 119.57 1bwb s ARG 41 Ca 0.00 -0.33 -0.05 0.00 -0.47 0.00 0.00 55.73 54.88 1bwb s ARG 41 Cb 0.00 -3.01 -0.02 0.00 -0.57 0.00 0.00 34.95 31.35 1bwb s ARG 41 CO 0.00 0.59 0.22 1.67 -1.08 0.00 0.00 175.30 176.70 1bwb s TRP 42 N -1.50 0.74 0.04 5.89 1.48 -1.26 -4.64 118.94 119.68 1bwb s TRP 42 Ca 0.35 -1.06 0.06 0.00 -1.06 0.00 0.00 56.10 54.40 1bwb s TRP 42 Cb -0.13 -0.27 -0.02 0.00 -1.16 0.00 0.00 33.47 31.89 1bwb s TRP 42 CO 0.25 -0.69 -0.19 0.15 -4.06 0.00 0.00 176.95 172.41 1bwb s LYS 43 N -4.05 1.26 0.48 3.25 1.02 -0.66 -4.90 119.74 116.14 1bwb s LYS 43 Ca 0.26 -0.87 -0.23 0.00 0.02 0.00 0.00 55.97 55.15 1bwb s LYS 43 Cb 0.05 -1.34 -0.07 0.00 -0.52 0.00 0.00 37.83 35.95 1bwb s LYS 43 CO 0.06 0.34 1.30 -2.14 -0.92 0.00 0.00 175.35 173.98 1bwb s PRO 44 N -1.12 3.55 0.06 -1.68 0.02 -1.26 0.41 135.00 134.98 1bwb s PRO 44 Ca 0.06 2.10 -0.11 0.00 0.02 0.00 0.00 61.00 63.07 1bwb s PRO 44 Cb -0.08 -2.44 0.01 0.00 0.02 0.00 0.00 34.50 32.00 1bwb s PRO 44 CO 0.01 -0.82 0.25 0.21 -0.33 0.00 0.00 177.00 176.32 1bwb s LYS 45 N -2.66 0.82 -0.02 5.54 2.20 0.13 -4.79 119.74 120.95 1bwb s LYS 45 Ca 0.65 -0.70 0.07 0.00 -0.36 0.00 0.00 55.97 55.63 1bwb s LYS 45 Cb -0.37 0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 36.28 1bwb s LYS 45 CO 0.45 -0.26 -0.22 -1.64 -0.36 0.00 0.00 175.35 173.31 1bwb s MET 46 N -3.08 1.83 0.19 4.03 -1.94 -1.26 0.45 119.30 119.52 1bwb s MET 46 Ca -0.01 -0.80 0.06 0.00 -1.71 0.00 0.00 55.69 53.23 1bwb s MET 46 Cb 0.01 -1.76 -0.05 0.00 2.01 0.00 0.00 34.83 35.05 1bwb s MET 46 CO -0.07 0.47 -0.11 0.96 -0.01 0.00 0.00 175.02 176.27 1bwb s ILE 47 N -0.50 1.44 0.30 2.53 -4.36 0.21 -4.93 121.20 115.88 1bwb s ILE 47 Ca 0.08 -2.13 0.09 0.00 -0.26 0.00 0.00 60.65 58.43 1bwb s ILE 47 Cb -0.09 -2.03 -0.04 0.00 1.25 0.00 0.00 42.46 41.55 1bwb s ILE 47 CO -0.01 -0.60 0.09 -0.83 0.24 0.00 0.00 174.94 173.83 1bwb s GLY 48 N -3.27 1.76 0.00 6.27 0.00 -1.26 -0.15 107.32 110.67 1bwb s GLY 48 Ca 0.21 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.23 1bwb s GLY 48 CO 0.05 -1.70 0.00 0.61 0.00 0.00 0.00 173.10 172.06 1bwb n GLY 49 N -1.06 2.90 3.65 0.20 0.00 0.96 -4.95 105.19 106.89 1bwb n GLY 49 Ca -0.05 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.65 4.10 0.00 -0.61 1.01 -1.26 -2.84 121.20 118.96 1bwb s ILE 50 Ca 0.00 1.30 0.00 0.00 0.00 0.00 0.00 60.65 61.95 1bwb s ILE 50 Cb 0.00 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.51 1bwb s ILE 50 CO 0.00 -0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.30 1bwb n GLY 51 N 4.00 1.73 0.00 6.18 0.00 -1.26 -5.01 105.19 110.82 1bwb n GLY 51 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.64 3.34 -0.02 0.00 -1.13 -5.10 105.19 102.92 1bwb n GLY 52 Ca 0.00 -1.59 -0.24 0.00 0.00 0.00 0.00 46.02 44.19 1bwb n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bwb s PHE 53 N -3.62 1.96 0.14 1.61 0.40 -1.26 -0.03 117.98 117.18 1bwb s PHE 53 Ca 0.00 -0.42 0.04 0.00 -0.60 0.00 0.00 56.93 55.95 1bwb s PHE 53 Cb 0.00 -1.02 -0.04 0.00 0.51 0.00 0.00 43.02 42.46 1bwb s PHE 53 CO 0.00 0.31 -0.09 0.96 0.70 0.00 0.00 175.22 177.10 1bwb s ILE 54 N -1.51 1.09 -0.17 0.64 -4.36 0.79 -4.94 121.20 112.75 1bwb s ILE 54 Ca 0.13 -2.04 -0.11 0.00 -0.26 0.00 0.00 60.65 58.36 1bwb s ILE 54 Cb -0.08 -1.85 -0.05 0.00 1.25 0.00 0.00 42.46 41.73 1bwb s ILE 54 CO 0.06 -0.75 0.21 -0.75 0.24 0.00 0.00 174.94 173.96 1bwb s LYS 55 N -3.77 4.12 0.21 0.37 2.20 -1.26 -0.62 119.74 120.99 1bwb s LYS 55 Ca 0.16 -0.05 0.02 0.00 -0.36 0.00 0.00 55.97 55.75 1bwb s LYS 55 Cb 0.03 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 1bwb s LYS 55 CO 0.00 0.35 0.02 0.14 -0.36 0.00 0.00 175.35 175.50 1bwb s VAL 56 N 0.18 0.77 -0.19 4.02 -7.23 0.17 -4.59 120.40 113.54 1bwb s VAL 56 Ca 0.13 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.19 1bwb s VAL 56 Cb -0.12 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 1bwb s VAL 56 CO 0.02 -0.34 0.15 -0.13 -0.31 0.00 0.00 175.10 174.49 1bwb s ARG 57 N -3.92 4.17 -0.18 4.82 0.52 -0.44 0.17 118.95 124.09 1bwb s ARG 57 Ca 0.28 -0.17 -0.13 0.00 -0.52 0.00 0.00 55.73 55.19 1bwb s ARG 57 Cb 0.06 -3.41 -0.05 0.00 0.52 0.00 0.00 34.95 32.07 1bwb s ARG 57 CO 0.07 0.31 0.27 -1.14 0.02 0.00 0.00 175.30 174.83 1bwb s GLN 58 N 0.33 4.23 -0.09 3.54 0.74 0.16 -0.56 119.66 128.02 1bwb s GLN 58 Ca 0.10 0.04 0.04 0.00 0.05 0.00 0.00 55.36 55.59 1bwb s GLN 58 Cb -0.11 -3.44 -0.01 0.00 1.10 0.00 0.00 33.01 30.55 1bwb s GLN 58 CO -0.01 0.20 -0.23 0.71 -0.55 0.00 0.00 175.29 175.42 1bwb s TYR 59 N 0.59 2.55 0.34 1.67 1.51 0.04 -1.65 117.35 122.40 1bwb s TYR 59 Ca 0.15 -0.88 0.07 0.00 -1.01 0.00 0.00 57.07 55.40 1bwb s TYR 59 Cb -0.13 -1.69 -0.02 0.00 -0.11 0.00 0.00 41.96 40.02 1bwb s TYR 59 CO 0.03 -0.32 0.40 -0.51 -1.11 0.00 0.00 175.55 174.05 1bwb s ASP 60 N 0.15 5.66 -1.59 2.29 1.01 -1.26 -0.74 116.67 122.19 1bwb s ASP 60 Ca -0.12 -0.33 -0.10 0.00 0.71 0.00 0.00 52.55 52.70 1bwb s ASP 60 Cb -0.16 -1.10 0.09 0.00 1.01 0.00 0.00 42.92 42.76 1bwb s ASP 60 CO 0.07 -0.41 0.56 0.00 0.21 0.00 0.00 175.17 175.59 1bwb n GLN 61 N -1.53 -2.87 -3.70 8.23 6.02 -1.12 -4.89 117.38 117.51 1bwb n GLN 61 Ca -0.01 0.34 -0.37 0.00 -0.01 0.00 0.00 57.00 56.95 1bwb n GLN 61 Cb 0.59 -4.71 -0.06 0.00 1.02 0.00 0.00 30.24 27.08 1bwb n GLN 61 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 1bwb s ILE 62 N -3.66 5.30 -0.04 5.09 1.10 -0.10 -4.74 121.20 124.16 1bwb s ILE 62 Ca 0.39 0.49 -0.25 0.00 -0.51 0.00 0.00 60.65 60.77 1bwb s ILE 62 Cb -0.22 -3.54 -0.04 0.00 0.15 0.00 0.00 42.46 38.82 1bwb s ILE 62 CO 0.93 0.59 0.78 -0.22 -2.11 0.00 0.00 174.94 174.90 1bwb s LEU 63 N -0.93 4.34 0.00 8.50 2.96 -1.26 -0.68 118.68 131.61 1bwb s LEU 63 Ca 0.18 1.34 0.05 0.00 -0.22 0.00 0.00 54.13 55.49 1bwb s LEU 63 Cb -0.14 -3.23 -0.02 0.00 0.50 0.00 0.00 46.19 43.31 1bwb s LEU 63 CO 0.08 -0.14 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.17 1bwb s ILE 64 N 0.77 1.32 -0.16 6.68 1.01 -0.06 -4.39 121.20 126.37 1bwb s ILE 64 Ca 0.41 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1bwb s ILE 64 Cb -0.19 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.18 1bwb s ILE 64 CO 0.21 0.30 -0.20 -0.70 0.00 0.00 0.00 174.94 174.55 1bwb s GLU 65 N -0.58 3.05 -0.19 2.79 2.12 -0.17 -1.07 118.70 124.66 1bwb s GLU 65 Ca 0.06 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.57 1bwb s GLU 65 Cb -0.07 -2.52 0.04 0.00 0.26 0.00 0.00 34.13 31.84 1bwb s GLU 65 CO -0.00 -0.07 -0.08 0.42 -0.54 0.00 0.00 175.26 174.99 1bwb s ILE 66 N 0.97 1.44 0.00 -3.70 1.01 0.43 -0.10 121.20 121.24 1bwb s ILE 66 Ca -0.03 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1bwb s ILE 66 Cb -0.15 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.76 1bwb s ILE 66 CO -0.05 0.13 0.00 0.00 0.00 0.00 0.00 174.94 175.02 1bwb n GLY 68 N 0.00 3.32 3.14 0.00 0.00 -1.26 -4.79 105.19 105.60 1bwb n GLY 68 Ca 0.00 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.55 2.18 0.11 1.61 4.02 -0.98 -5.11 115.29 116.57 1bwb s HIS 69 Ca 0.31 -0.92 -0.12 0.00 1.02 0.00 0.00 55.06 55.36 1bwb s HIS 69 Cb 0.19 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.58 30.19 1bwb s HIS 69 CO -0.03 -0.41 0.47 0.15 1.02 0.00 0.00 174.74 175.95 1bwb s LYS 70 N 0.56 3.87 0.02 1.40 1.02 -1.26 -0.43 119.74 124.92 1bwb s LYS 70 Ca -0.15 0.33 -0.11 0.00 0.02 0.00 0.00 55.97 56.06 1bwb s LYS 70 Cb -0.17 -2.97 0.01 0.00 -0.52 0.00 0.00 37.83 34.19 1bwb s LYS 70 CO 0.05 0.52 0.23 0.00 -0.92 0.00 0.00 175.35 175.23 1bwb s ALA 71 N -1.43 -0.52 -0.04 5.17 0.00 -0.23 -4.90 121.76 119.82 1bwb s ALA 71 Ca 0.35 -0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.33 1bwb s ALA 71 Cb -0.14 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 1bwb s ALA 71 CO 0.19 -0.31 -0.23 0.42 0.00 0.00 0.00 175.76 175.82 1bwb s ILE 72 N -2.01 1.88 0.12 0.00 -1.09 -1.26 -0.88 121.20 117.96 1bwb s ILE 72 Ca -0.09 -0.99 -0.17 0.00 -2.23 0.00 0.00 60.65 57.17 1bwb s ILE 72 Cb -0.03 -1.58 0.06 0.00 -1.58 0.00 0.00 42.46 39.33 1bwb s ILE 72 CO -0.01 0.53 0.80 0.61 -1.23 0.00 0.00 174.94 175.64 1bwb n GLY 73 N 2.78 0.73 3.73 6.18 0.00 0.14 -4.87 105.19 113.87 1bwb n GLY 73 Ca -0.17 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.17 4.15 0.07 2.61 2.01 -1.26 -0.93 115.64 120.13 1bwb s THR 74 Ca 0.18 1.69 0.08 0.00 0.31 0.00 0.00 61.69 63.96 1bwb s THR 74 Cb -0.02 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 1bwb s THR 74 CO 0.04 0.22 -0.23 0.68 -0.69 0.00 0.00 174.62 174.64 1bwb s VAL 75 N 0.37 1.84 -0.14 3.82 -7.23 0.08 -4.61 120.40 114.53 1bwb s VAL 75 Ca 0.52 -1.41 -0.03 0.00 -1.81 0.00 0.00 61.98 59.25 1bwb s VAL 75 Cb -0.27 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.02 1bwb s VAL 75 CO 0.31 0.14 -0.04 -0.76 -0.31 0.00 0.00 175.10 174.45 1bwb s LEU 76 N -1.52 3.27 -0.05 1.32 1.02 -0.77 -0.78 118.68 121.17 1bwb s LEU 76 Ca 0.09 -0.10 0.05 0.00 0.02 0.00 0.00 54.13 54.19 1bwb s LEU 76 Cb -0.09 -1.78 -0.02 0.00 0.02 0.00 0.00 46.19 44.32 1bwb s LEU 76 CO 0.03 0.20 -0.19 -0.69 0.02 0.00 0.00 176.35 175.72 1bwb s VAL 77 N 0.18 2.64 -1.58 -1.59 1.01 0.28 -0.49 120.40 120.85 1bwb s VAL 77 Ca -0.02 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1bwb s VAL 77 Cb -0.14 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1bwb s VAL 77 CO 0.03 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.32 1bwb n GLY 78 N 2.52 -1.30 2.40 4.51 0.00 0.58 -1.33 105.19 112.56 1bwb n GLY 78 Ca -0.17 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 1bwb n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bwb n PRO 79 N -0.01 4.06 -2.61 1.61 -0.04 -1.26 -2.80 135.00 133.95 1bwb n PRO 79 Ca 0.00 -2.83 -0.31 0.00 -0.04 0.00 0.00 63.50 60.32 1bwb n PRO 79 Cb 0.00 -2.65 -0.03 0.00 -0.04 0.00 0.00 33.50 30.78 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 0.16 4.70 -0.19 0.52 -1.32 -1.26 -4.96 115.64 113.29 1bwb s THR 80 Ca 0.61 0.81 0.29 0.00 -1.21 0.00 0.00 61.69 62.19 1bwb s THR 80 Cb 0.20 -3.75 0.35 0.00 -1.51 0.00 0.00 72.50 67.78 1bwb s THR 80 CO -0.08 -0.65 1.84 -0.65 -2.21 0.00 0.00 174.62 172.87 1bwb h PRO 81 N 0.94 0.00 -2.53 7.08 0.11 -1.98 -3.43 132.00 132.20 1bwb h PRO 81 Ca -0.47 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 1bwb h PRO 81 Cb 1.19 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.10 1bwb h PRO 81 CO 0.63 0.00 -0.05 0.12 -0.21 0.00 0.00 178.00 178.48 1bwb s PHE 82 N -3.46 -0.43 0.13 0.65 5.36 -1.26 -5.05 117.98 113.92 1bwb s PHE 82 Ca 0.04 0.76 -0.30 0.00 -0.96 0.00 0.00 56.93 56.46 1bwb s PHE 82 Cb 0.08 0.24 -0.06 0.00 -0.34 0.00 0.00 43.02 42.95 1bwb s PHE 82 CO 0.54 -0.47 1.04 -0.80 -1.46 0.00 0.00 175.22 174.07 1bwb s ASN 83 N -1.11 7.36 -0.09 6.13 0.01 -1.26 -4.67 114.94 121.30 1bwb s ASN 83 Ca -0.11 1.92 0.01 0.00 -0.71 0.00 0.00 52.86 53.98 1bwb s ASN 83 Cb -0.03 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.06 1bwb s ASN 83 CO 0.06 -0.18 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.67 1bwb s VAL 84 N 0.06 1.25 -0.28 1.60 1.01 0.45 -1.12 120.40 123.37 1bwb s VAL 84 Ca 0.49 -0.49 -0.15 0.00 0.00 0.00 0.00 61.98 61.82 1bwb s VAL 84 Cb -0.26 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1bwb s VAL 84 CO 0.32 0.39 0.40 -0.63 0.00 0.00 0.00 175.10 175.57 1bwb s ILE 85 N 1.05 5.15 0.54 2.22 -1.09 0.21 -1.63 121.20 127.66 1bwb s ILE 85 Ca -0.06 0.54 0.08 0.00 -2.23 0.00 0.00 60.65 58.97 1bwb s ILE 85 Cb -0.15 -3.74 0.08 0.00 -1.58 0.00 0.00 42.46 37.07 1bwb s ILE 85 CO -0.01 0.10 0.64 0.61 -1.23 0.00 0.00 174.94 175.04 1bwb n GLY 86 N 4.69 2.22 0.24 6.18 0.00 -1.24 -0.88 105.19 116.41 1bwb n GLY 86 Ca -0.08 -2.25 0.11 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.74 1.61 3.08 -0.61 -1.93 114.38 115.78 1bwb h ARG 87 Ca -0.28 0.00 0.20 0.00 0.07 0.00 0.00 59.98 59.97 1bwb h ARG 87 Cb 1.19 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.20 1bwb h ARG 87 CO 0.42 0.17 0.53 -2.95 -1.07 0.00 0.00 179.97 177.07 1bwb h ASN 88 N 0.00 0.08 0.00 7.04 -1.07 -1.70 -1.33 115.58 118.60 1bwb h ASN 88 Ca -0.00 0.01 -0.28 0.00 0.07 0.00 0.00 56.30 56.10 1bwb h ASN 88 Cb 0.55 -0.01 -0.05 0.00 -2.07 0.00 0.00 38.32 36.74 1bwb h ASN 88 CO 0.02 0.04 -2.23 0.18 0.07 0.00 0.00 177.43 175.51 1bwb n LEU 89 N -4.36 0.00 -0.04 6.14 4.77 -0.78 -4.36 117.00 118.37 1bwb n LEU 89 Ca 0.15 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.16 1bwb n LEU 89 Cb 0.76 0.37 0.38 0.00 -2.33 0.00 0.00 43.42 42.60 1bwb n LEU 89 CO 0.37 0.37 1.16 -0.07 -1.33 0.00 0.00 177.39 177.89 1bwb h LEU 90 N 0.00 0.55 -1.56 2.23 3.38 -0.96 0.86 115.31 119.81 1bwb h LEU 90 Ca -0.41 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 1bwb h LEU 90 Cb 1.92 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 1bwb h LEU 90 CO 0.02 0.41 -0.20 0.71 0.09 0.00 0.00 178.44 179.48 1bwb h THR 91 N 0.64 0.67 0.00 0.22 1.35 -1.46 -1.21 112.91 113.12 1bwb h THR 91 Ca 0.17 -0.84 -0.13 0.00 -0.55 0.00 0.00 66.41 65.05 1bwb h THR 91 Cb -0.05 1.53 -0.02 0.00 -1.73 0.00 0.00 68.15 67.89 1bwb h THR 91 CO -0.03 0.19 -0.78 1.56 -0.25 0.00 0.00 175.52 176.21 1bwb h GLN 92 N 0.00 0.00 -0.46 4.72 4.20 -1.04 -3.13 115.11 119.40 1bwb h GLN 92 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1bwb h GLN 92 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1bwb h GLN 92 CO 0.03 0.52 0.00 0.44 -0.67 0.00 0.00 178.83 179.15 1bwb n ILE 93 N -3.17 0.61 -1.55 2.54 -5.35 -0.90 -4.91 119.36 106.62 1bwb n ILE 93 Ca -0.01 -0.63 0.00 0.00 -0.27 0.00 0.00 62.75 61.84 1bwb n ILE 93 Cb 0.79 0.36 0.00 0.00 -1.74 0.00 0.00 39.64 39.05 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 0.45 3.76 3.28 0.00 -1.10 -5.00 105.19 107.85 1bwb n GLY 94 Ca 0.16 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.25 0.74 -0.08 0.00 2.01 -1.26 -4.77 115.64 111.03 1bwb s THR 96 Ca 0.44 -1.13 -0.05 0.00 0.31 0.00 0.00 61.69 61.25 1bwb s THR 96 Cb -0.27 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 1bwb s THR 96 CO 0.33 -0.31 0.14 -0.76 -0.69 0.00 0.00 174.62 173.34 1bwb s LEU 97 N -1.59 4.31 -0.03 4.42 1.43 -1.26 -5.09 118.68 120.87 1bwb s LEU 97 Ca -0.07 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 1bwb s LEU 97 Cb -0.10 -2.20 0.03 0.00 0.03 0.00 0.00 46.19 43.95 1bwb s LEU 97 CO 0.01 0.36 -0.01 0.21 0.23 0.00 0.00 176.35 177.16 1bwb s ASN 98 N -1.29 0.52 0.00 2.29 2.47 -1.26 -5.29 114.94 112.39 1bwb s ASN 98 Ca 0.18 -0.04 0.00 0.00 0.42 0.00 0.00 52.86 53.42 1bwb s ASN 98 Cb -0.12 -0.26 0.00 0.00 -1.45 0.00 0.00 41.25 39.42 1bwb s ASN 98 CO 0.08 -0.09 0.00 2.22 -3.72 0.00 0.00 177.10 175.59