#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2glw s ASP 2 N 0.00 6.48 -0.04 7.83 1.01 -1.26 -5.05 116.67 125.64 2glw s ASP 2 Ca 0.00 2.10 0.04 0.00 0.71 0.00 0.00 52.55 55.40 2glw s ASP 2 Cb 0.00 -2.59 -0.00 0.00 1.01 0.00 0.00 42.92 41.34 2glw s ASP 2 CO 0.00 -0.69 -0.14 0.54 0.21 0.00 0.00 175.17 175.08 2glw s VAL 3 N -1.68 1.21 -0.35 -1.27 0.11 -1.26 -4.68 120.40 112.47 2glw s VAL 3 Ca 0.62 -0.60 0.22 0.00 -2.93 0.00 0.00 61.98 59.28 2glw s VAL 3 Cb -0.23 -1.04 0.21 0.00 -1.53 0.00 0.00 36.38 33.79 2glw s VAL 3 CO 0.28 0.35 1.44 -0.07 -3.33 0.00 0.00 175.10 173.78 2glw h LEU 4 N 6.26 0.00 -7.00 2.54 3.38 -1.67 -3.47 115.31 115.35 2glw h LEU 4 Ca -0.33 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.77 2glw h LEU 4 Cb 1.17 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.70 2glw h LEU 4 CO 0.48 0.09 0.63 0.00 0.09 0.00 0.00 178.44 179.72 2glw s ALA 5 N -3.20 -1.96 -0.06 1.53 0.00 -1.26 -4.79 121.76 112.02 2glw s ALA 5 Ca 0.05 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.56 2glw s ALA 5 Cb 0.06 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.61 2glw s ALA 5 CO 0.71 -0.39 -0.04 0.21 0.00 0.00 0.00 175.76 176.26 2glw s LYS 6 N -1.53 0.88 0.14 0.00 2.20 -1.26 -1.93 119.74 118.24 2glw s LYS 6 Ca 0.02 -0.06 -0.13 0.00 -0.36 0.00 0.00 55.97 55.44 2glw s LYS 6 Cb -0.01 -1.00 0.01 0.00 -1.51 0.00 0.00 37.83 35.32 2glw s LYS 6 CO -0.02 -0.18 0.35 -0.59 -0.36 0.00 0.00 175.35 174.56 2glw s PHE 7 N 1.37 0.06 -0.07 4.03 -0.71 -0.99 -5.01 117.98 116.66 2glw s PHE 7 Ca -0.04 -0.42 0.01 0.00 -1.04 0.00 0.00 56.93 55.45 2glw s PHE 7 Cb -0.13 0.13 -0.03 0.00 -1.21 0.00 0.00 43.02 41.78 2glw s PHE 7 CO -0.03 -0.72 -0.10 -1.01 -1.34 0.00 0.00 175.22 172.02 2glw s HIS 8 N -3.88 2.85 0.14 3.49 3.76 -1.26 -1.05 115.29 119.34 2glw s HIS 8 Ca 0.09 -0.12 -0.13 0.00 -0.15 0.00 0.00 55.06 54.75 2glw s HIS 8 Cb 0.02 -1.71 0.02 0.00 1.11 0.00 0.00 32.58 32.02 2glw s HIS 8 CO -0.06 0.21 0.37 -0.08 -0.85 0.00 0.00 174.74 174.33 2glw s THR 9 N -0.61 0.07 0.26 1.30 -1.32 -0.99 -4.99 115.64 109.36 2glw s THR 9 Ca 0.09 -0.92 0.09 0.00 -1.21 0.00 0.00 61.69 59.74 2glw s THR 9 Cb -0.11 -1.45 -0.04 0.00 -1.51 0.00 0.00 72.50 69.38 2glw s THR 9 CO 0.02 -0.32 0.06 0.28 -2.21 0.00 0.00 174.62 172.44 2glw s THR 10 N -3.87 3.73 0.20 5.08 -1.32 -1.26 -1.01 115.64 117.18 2glw s THR 10 Ca 0.08 -1.75 -0.30 0.00 -1.21 0.00 0.00 61.69 58.51 2glw s THR 10 Cb 0.02 -3.02 -0.08 0.00 -1.51 0.00 0.00 72.50 67.92 2glw s THR 10 CO -0.07 -0.36 1.02 -0.69 -2.21 0.00 0.00 174.62 172.31 2glw s VAL 11 N -2.27 4.01 0.44 5.08 1.01 -0.92 -4.80 120.40 122.94 2glw s VAL 11 Ca 0.32 1.84 0.06 0.00 0.00 0.00 0.00 61.98 64.20 2glw s VAL 11 Cb -0.07 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 2glw s VAL 11 CO 0.21 0.37 0.13 -1.00 0.00 0.00 0.00 175.10 174.81 2glw s HIS 12 N -0.62 2.39 0.61 5.22 3.76 -0.87 -1.57 115.29 124.22 2glw s HIS 12 Ca 0.46 -0.69 -0.18 0.00 -0.15 0.00 0.00 55.06 54.50 2glw s HIS 12 Cb -0.27 -1.86 -0.10 0.00 1.11 0.00 0.00 32.58 31.46 2glw s HIS 12 CO 0.34 0.21 0.23 0.54 -0.85 0.00 0.00 174.74 175.20 2glw n ARG 13 N -1.21 0.26 -0.89 1.40 1.74 -1.26 -1.33 116.66 115.37 2glw n ARG 13 Ca -0.05 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2glw n ARG 13 Cb 0.66 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 2glw n ARG 13 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2glw n ILE 14 N -1.84 0.00 -1.04 0.55 5.41 -1.26 -2.28 119.36 118.90 2glw n ILE 14 Ca 0.09 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.83 2glw n ILE 14 Cb 0.48 -0.76 -0.01 0.00 -0.71 0.00 0.00 39.64 38.65 2glw n ILE 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2glw n GLY 15 N -0.15 0.51 3.82 7.39 0.00 -0.44 -4.82 105.19 111.50 2glw n GLY 15 Ca 0.00 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 2glw n GLY 15 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2glw s ARG 16 N -1.40 4.23 0.08 1.61 3.52 -0.96 -2.57 118.95 123.45 2glw s ARG 16 Ca 0.00 0.86 0.03 0.00 -0.13 0.00 0.00 55.73 56.49 2glw s ARG 16 Cb 0.00 -2.79 -0.03 0.00 -1.56 0.00 0.00 34.95 30.57 2glw s ARG 16 CO 0.00 0.34 -0.09 0.96 -0.81 0.00 0.00 175.30 175.70 2glw s ILE 17 N -1.62 0.78 -0.13 4.11 -4.36 -0.78 -2.05 121.20 117.16 2glw s ILE 17 Ca 0.46 -1.54 0.01 0.00 -0.26 0.00 0.00 60.65 59.32 2glw s ILE 17 Cb -0.16 -1.21 -0.00 0.00 1.25 0.00 0.00 42.46 42.34 2glw s ILE 17 CO 0.20 -0.57 -0.18 -0.63 0.24 0.00 0.00 174.94 174.01 2glw s ILE 18 N -2.37 2.53 0.33 8.37 -1.09 -1.26 -1.79 121.20 125.92 2glw s ILE 18 Ca 0.02 -0.84 -0.25 0.00 -2.23 0.00 0.00 60.65 57.35 2glw s ILE 18 Cb -0.03 -2.03 -0.10 0.00 -1.58 0.00 0.00 42.46 38.72 2glw s ILE 18 CO -0.01 0.53 0.94 -0.63 -1.23 0.00 0.00 174.94 174.54 2glw s ILE 19 N 0.55 4.24 0.44 2.92 1.01 -1.16 -5.00 121.20 124.21 2glw s ILE 19 Ca -0.11 1.77 -0.25 0.00 0.00 0.00 0.00 60.65 62.06 2glw s ILE 19 Cb -0.16 -3.96 -0.08 0.00 0.01 0.00 0.00 42.46 38.27 2glw s ILE 19 CO 0.04 0.09 1.35 -2.16 0.00 0.00 0.00 174.94 174.26 2glw s PRO 20 N -2.17 3.74 0.57 2.79 0.04 -1.26 -4.85 135.00 133.86 2glw s PRO 20 Ca 0.51 2.24 0.27 0.00 0.04 0.00 0.00 61.00 64.06 2glw s PRO 20 Cb -0.17 -2.63 1.61 0.00 0.04 0.00 0.00 34.50 33.34 2glw s PRO 20 CO 0.22 -0.71 2.12 0.00 0.04 0.00 0.00 177.00 178.67 2glw h ALA 21 N 2.34 1.86 -0.41 8.56 0.00 -1.95 -1.72 119.26 127.95 2glw h ALA 21 Ca -0.50 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 2glw h ALA 21 Cb 1.26 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2glw h ALA 21 CO 0.61 -0.26 0.11 0.78 0.00 0.00 0.00 179.25 180.49 2glw h GLY 22 N 0.00 0.70 1.31 0.00 0.00 -2.00 -2.23 103.07 100.85 2glw h GLY 22 Ca 0.08 -0.43 -0.16 0.00 0.00 0.00 0.00 47.33 46.82 2glw h GLY 22 CO -0.00 0.40 -0.45 -0.84 0.00 0.00 0.00 176.54 175.65 2glw h THR 23 N 0.52 1.29 -0.91 4.70 2.02 -1.68 -2.54 112.91 116.31 2glw h THR 23 Ca 0.13 -1.64 0.09 0.00 0.77 0.00 0.00 66.41 65.76 2glw h THR 23 Cb 0.30 1.55 -0.07 0.00 -1.74 0.00 0.00 68.15 68.18 2glw h THR 23 CO 0.00 0.53 0.56 0.03 0.37 0.00 0.00 175.52 177.01 2glw h ARG 24 N 0.60 0.92 -0.05 6.66 3.08 -1.35 -1.98 114.38 122.26 2glw h ARG 24 Ca 0.04 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2glw h ARG 24 Cb 1.01 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 2glw h ARG 24 CO 0.10 0.61 0.01 -0.22 -1.07 0.00 0.00 179.97 179.39 2glw h LYS 25 N 0.95 0.08 -0.89 0.04 3.64 -1.16 0.25 116.57 119.49 2glw h LYS 25 Ca 0.42 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.85 2glw h LYS 25 Cb 0.32 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.07 2glw h LYS 25 CO -0.22 0.33 0.58 0.35 -2.27 0.00 0.00 179.45 178.22 2glw h PHE 26 N -0.17 1.02 0.00 1.91 3.57 -1.03 -2.00 116.94 120.23 2glw h PHE 26 Ca 0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2glw h PHE 26 Cb 0.29 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.69 2glw h PHE 26 CO 0.02 0.53 -0.54 0.98 -2.23 0.00 0.00 178.31 177.07 2glw n TYR 27 N -4.49 0.51 -2.59 0.41 4.19 -0.78 -4.96 117.16 109.44 2glw n TYR 27 Ca 0.14 0.15 -0.04 0.00 3.31 0.00 0.00 57.90 61.45 2glw n TYR 27 Cb 0.21 -0.63 0.02 0.00 0.49 0.00 0.00 39.34 39.42 2glw n TYR 27 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2glw n GLY 28 N 1.36 0.56 3.71 2.98 0.00 -0.05 -5.01 105.19 108.74 2glw n GLY 28 Ca 0.04 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 2glw n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2glw s ILE 29 N -3.06 5.07 0.15 -0.61 1.01 -0.46 -5.04 121.20 118.25 2glw s ILE 29 Ca 0.08 1.36 0.07 0.00 0.00 0.00 0.00 60.65 62.17 2glw s ILE 29 Cb -0.04 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 2glw s ILE 29 CO 0.14 0.25 -0.16 -0.70 0.00 0.00 0.00 174.94 174.48 2glw s GLU 30 N 0.83 1.15 0.29 2.79 2.12 -1.26 -4.86 118.70 119.76 2glw s GLU 30 Ca 0.35 -1.34 -0.29 0.00 0.36 0.00 0.00 54.97 54.05 2glw s GLU 30 Cb -0.17 -1.09 -0.13 0.00 0.26 0.00 0.00 34.13 33.00 2glw s GLU 30 CO 0.17 0.21 1.35 1.04 -0.54 0.00 0.00 175.26 177.49 2glw n GLN 31 N 0.34 2.11 0.00 4.30 6.02 -1.26 -1.92 117.38 126.97 2glw n GLN 31 Ca -0.14 0.75 0.00 0.00 -0.01 0.00 0.00 57.00 57.60 2glw n GLN 31 Cb 0.57 -2.37 0.00 0.00 1.02 0.00 0.00 30.24 29.47 2glw n GLN 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2glw n GLY 32 N 1.46 1.99 3.82 1.08 0.00 -0.83 -5.01 105.19 107.70 2glw n GLY 32 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2glw n GLY 32 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2glw s ASP 33 N -1.82 6.00 -0.09 1.61 1.01 -0.81 -4.81 116.67 117.76 2glw s ASP 33 Ca 0.00 1.70 -0.01 0.00 0.71 0.00 0.00 52.55 54.95 2glw s ASP 33 Cb 0.00 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 2glw s ASP 33 CO 0.00 -1.02 -0.05 -0.36 0.21 0.00 0.00 175.17 173.95 2glw s PHE 34 N -2.61 3.01 0.12 4.23 0.40 -0.99 -1.51 117.98 120.63 2glw s PHE 34 Ca 0.61 0.01 0.06 0.00 -0.60 0.00 0.00 56.93 57.01 2glw s PHE 34 Cb -0.14 -1.77 -0.04 0.00 0.51 0.00 0.00 43.02 41.58 2glw s PHE 34 CO 0.38 0.30 -0.14 0.14 0.70 0.00 0.00 175.22 176.61 2glw s VAL 35 N -0.63 1.29 -0.18 -0.44 -7.23 -0.70 -0.41 120.40 112.11 2glw s VAL 35 Ca 0.10 -1.72 -0.01 0.00 -1.81 0.00 0.00 61.98 58.54 2glw s VAL 35 Cb -0.12 -1.53 0.00 0.00 0.56 0.00 0.00 36.38 35.30 2glw s VAL 35 CO 0.02 -0.44 -0.13 -0.70 -0.31 0.00 0.00 175.10 173.54 2glw s GLU 36 N -2.71 3.21 0.05 4.82 2.12 -0.37 -1.82 118.70 124.01 2glw s GLU 36 Ca 0.09 -0.73 -0.00 0.00 0.36 0.00 0.00 54.97 54.68 2glw s GLU 36 Cb -0.05 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 2glw s GLU 36 CO 0.03 -0.08 -0.04 -1.50 -0.54 0.00 0.00 175.26 173.13 2glw s ILE 37 N 1.08 0.27 0.03 -3.70 2.07 -0.94 -0.15 121.20 119.86 2glw s ILE 37 Ca -0.00 -1.64 0.04 0.00 -1.41 0.00 0.00 60.65 57.64 2glw s ILE 37 Cb -0.14 -1.28 -0.02 0.00 0.13 0.00 0.00 42.46 41.15 2glw s ILE 37 CO -0.04 -0.87 -0.11 -0.75 -1.91 0.00 0.00 174.94 171.26 2glw s LYS 38 N -3.38 0.72 0.13 3.50 2.20 -0.18 -2.17 119.74 120.56 2glw s LYS 38 Ca 0.03 -0.66 0.08 0.00 -0.36 0.00 0.00 55.97 55.06 2glw s LYS 38 Cb 0.04 -0.66 -0.04 0.00 -1.51 0.00 0.00 37.83 35.66 2glw s LYS 38 CO -0.07 0.16 -0.14 0.96 -0.36 0.00 0.00 175.35 175.89 2glw s ILE 39 N -0.88 3.06 -0.03 5.43 -4.36 -0.19 -1.20 121.20 123.04 2glw s ILE 39 Ca -0.02 -1.47 -0.01 0.00 -0.26 0.00 0.00 60.65 58.89 2glw s ILE 39 Cb -0.07 -2.44 0.03 0.00 1.25 0.00 0.00 42.46 41.23 2glw s ILE 39 CO 0.01 0.06 0.03 -0.69 0.24 0.00 0.00 174.94 174.58 2glw s VAL 40 N -1.29 0.01 0.03 8.37 1.01 -0.81 -2.06 120.40 125.67 2glw s VAL 40 Ca 0.20 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2glw s VAL 40 Cb -0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 2glw s VAL 40 CO 0.12 0.14 -0.10 -0.75 0.00 0.00 0.00 175.10 174.51 2glw s LYS 41 N 1.42 0.68 -0.20 2.72 2.20 -0.67 -2.65 119.74 123.24 2glw s LYS 41 Ca -0.04 -0.66 -0.07 0.00 -0.36 0.00 0.00 55.97 54.84 2glw s LYS 41 Cb -0.13 -0.60 -0.03 0.00 -1.51 0.00 0.00 37.83 35.56 2glw s LYS 41 CO -0.03 0.14 0.05 -0.47 -0.36 0.00 0.00 175.35 174.68 2glw s TYR 42 N -0.91 3.15 0.00 4.03 5.04 -1.26 -0.82 117.35 126.58 2glw s TYR 42 Ca -0.03 -0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.45 2glw s TYR 42 Cb -0.08 -2.12 -0.00 0.00 0.35 0.00 0.00 41.96 40.12 2glw s TYR 42 CO 0.01 -0.06 -0.01 -1.83 -1.34 0.00 0.00 175.55 172.32 2glw s GLU 43 N 0.82 0.07 7.93 4.97 -1.05 -1.12 -4.98 118.70 125.34 2glw s GLU 43 Ca 0.03 -0.09 0.00 0.00 -0.15 0.00 0.00 54.97 54.76 2glw s GLU 43 Cb -0.14 -0.02 0.00 0.00 -0.44 0.00 0.00 34.13 33.54 2glw s GLU 43 CO 0.02 0.00 0.00 0.41 0.95 0.00 0.00 175.26 176.64 2glw n GLY 44 N 2.89 3.75 0.88 -3.83 0.00 -1.26 -2.12 105.19 105.51 2glw n GLY 44 Ca -0.13 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 45.92 2glw n GLY 44 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2glw n GLU 45 N 14.00 2.17 -4.49 1.61 0.28 -1.26 -4.98 120.64 127.98 2glw n GLU 45 Ca 0.00 -2.00 -0.20 0.00 -0.16 0.00 0.00 57.16 54.80 2glw n GLU 45 Cb 0.00 -1.39 -0.15 0.00 1.43 0.00 0.00 31.44 31.33 2glw n GLU 45 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2glw s GLU 46 N -1.23 0.91 0.23 3.44 -1.05 -0.90 -5.13 118.70 114.97 2glw s GLU 46 Ca 0.30 -0.42 -0.30 0.00 -0.15 0.00 0.00 54.97 54.40 2glw s GLU 46 Cb 0.17 -0.88 -0.09 0.00 -0.44 0.00 0.00 34.13 32.89 2glw s GLU 46 CO 0.24 0.24 1.08 -2.14 0.95 0.00 0.00 175.26 175.63 2glw s PRO 47 N -0.31 4.65 -0.08 -4.83 0.02 -1.26 -2.77 135.00 130.41 2glw s PRO 47 Ca 0.04 1.73 0.01 0.00 0.02 0.00 0.00 61.00 62.81 2glw s PRO 47 Cb -0.05 -3.24 -0.03 0.00 0.02 0.00 0.00 34.50 31.21 2glw s PRO 47 CO -0.00 0.19 -0.10 0.15 -0.33 0.00 0.00 177.00 176.91 2glw s LYS 48 N -0.97 2.85 0.18 5.54 -0.14 -0.00 -4.96 119.74 122.23 2glw s LYS 48 Ca 0.46 -0.61 0.02 0.00 -1.36 0.00 0.00 55.97 54.48 2glw s LYS 48 Cb -0.30 -2.56 -0.05 0.00 -1.68 0.00 0.00 37.83 33.24 2glw s LYS 48 CO 0.38 0.55 0.01 -1.21 -0.76 0.00 0.00 175.35 174.32 2glw s GLU 49 N -0.51 1.12 -0.26 1.68 2.02 -1.26 -1.67 118.70 119.81 2glw s GLU 49 Ca 0.07 -1.54 -0.21 0.00 0.02 0.00 0.00 54.97 53.31 2glw s GLU 49 Cb -0.12 -0.23 0.07 0.00 0.10 0.00 0.00 34.13 33.95 2glw s GLU 49 CO 0.02 -0.15 0.68 0.20 0.02 0.00 0.00 175.26 176.03 2glw s GLY 50 N -3.17 -0.56 -0.04 -1.39 0.00 -0.87 -4.79 107.32 96.50 2glw s GLY 50 Ca 0.25 2.12 0.06 0.00 0.00 0.00 0.00 44.72 47.14 2glw s GLY 50 CO 0.05 1.95 -0.21 -1.59 0.00 0.00 0.00 173.10 173.30 2glw s THR 51 N 0.87 1.71 0.30 0.90 2.01 -1.26 -1.02 115.64 119.16 2glw s THR 51 Ca -0.04 -0.90 -0.15 0.00 0.31 0.00 0.00 61.69 60.91 2glw s THR 51 Cb -0.05 -1.44 0.02 0.00 0.01 0.00 0.00 72.50 71.04 2glw s THR 51 CO -0.07 0.48 0.64 0.72 -0.69 0.00 0.00 174.62 175.70 2glw s PHE 52 N -0.26 0.19 -0.07 4.92 -0.71 -0.92 -5.02 117.98 116.11 2glw s PHE 52 Ca 0.02 -0.65 -0.01 0.00 -1.04 0.00 0.00 56.93 55.25 2glw s PHE 52 Cb -0.11 0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 42.17 2glw s PHE 52 CO 0.01 -1.24 -0.01 0.99 -1.34 0.00 0.00 175.22 173.64 2glw s THR 53 N -3.46 4.22 -0.00 -4.49 2.01 -1.26 -2.21 115.64 110.44 2glw s THR 53 Ca 0.18 -0.35 -0.03 0.00 0.31 0.00 0.00 61.69 61.80 2glw s THR 53 Cb -0.04 -2.79 -0.00 0.00 0.01 0.00 0.00 72.50 69.68 2glw s THR 53 CO 0.10 0.56 0.05 0.00 -0.69 0.00 0.00 174.62 174.64 2glw s ALA 54 N -0.92 -0.11 0.07 7.40 0.00 -0.75 -5.01 121.76 122.44 2glw s ALA 54 Ca 0.15 -0.16 -0.11 0.00 0.00 0.00 0.00 51.96 51.83 2glw s ALA 54 Cb -0.11 0.03 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 2glw s ALA 54 CO 0.04 -0.12 0.41 0.50 0.00 0.00 0.00 175.76 176.59 2glw s ARG 55 N -0.84 3.80 -0.08 0.00 3.52 -1.26 -1.72 118.95 122.37 2glw s ARG 55 Ca -0.09 0.24 -0.30 0.00 -0.13 0.00 0.00 55.73 55.45 2glw s ARG 55 Cb -0.06 -3.03 -0.02 0.00 -1.56 0.00 0.00 34.95 30.29 2glw s ARG 55 CO 0.00 0.58 1.05 0.08 -0.81 0.00 0.00 175.30 176.20 2glw s VAL 56 N -1.35 4.65 0.00 7.11 1.01 -0.57 -4.74 120.40 126.52 2glw s VAL 56 Ca 0.32 1.93 0.00 0.00 0.00 0.00 0.00 61.98 64.23 2glw s VAL 56 Cb -0.14 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.00 2glw s VAL 56 CO 0.17 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.90 2glw n GLY 57 N 3.14 2.32 3.71 4.51 0.00 -0.91 -1.97 105.19 115.98 2glw n GLY 57 Ca 0.09 -2.14 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 2glw n GLY 57 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2glw s GLU 58 N -1.95 1.82 -1.57 1.61 2.12 -1.26 -2.26 118.70 117.21 2glw s GLU 58 Ca 0.00 1.70 0.00 0.00 0.36 0.00 0.00 54.97 57.03 2glw s GLU 58 Cb 0.00 -1.80 0.00 0.00 0.26 0.00 0.00 34.13 32.59 2glw s GLU 58 CO 0.00 -2.07 0.00 1.04 -0.54 0.00 0.00 175.26 173.69 2glw n GLN 59 N -3.16 -1.39 -1.28 4.30 1.13 -1.26 -2.18 117.38 113.54 2glw n GLN 59 Ca 0.13 0.90 -0.08 0.00 -1.94 0.00 0.00 57.00 56.01 2glw n GLN 59 Cb 0.51 -5.17 -0.03 0.00 0.11 0.00 0.00 30.24 25.65 2glw n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2glw n GLY 60 N -0.22 0.93 3.78 1.08 0.00 -0.96 -4.63 105.19 105.16 2glw n GLY 60 Ca -0.15 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 2glw n GLY 60 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2glw s SER 61 N -2.90 7.17 0.02 1.61 0.15 -0.93 -2.96 113.70 115.85 2glw s SER 61 Ca 0.00 1.91 0.01 0.00 0.70 0.00 0.00 55.95 58.57 2glw s SER 61 Cb 0.00 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 2glw s SER 61 CO 0.00 -0.19 -0.03 0.54 1.20 0.00 0.00 173.24 174.75 2glw s VAL 62 N -1.62 0.20 -0.19 4.45 0.11 -0.74 -2.15 120.40 120.47 2glw s VAL 62 Ca 0.52 -0.63 -0.03 0.00 -2.93 0.00 0.00 61.98 58.91 2glw s VAL 62 Cb -0.20 -0.27 -0.01 0.00 -1.53 0.00 0.00 36.38 34.36 2glw s VAL 62 CO 0.25 -0.28 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.06 2glw s ILE 63 N -0.91 3.41 0.32 7.04 -1.09 -1.26 -1.86 121.20 126.84 2glw s ILE 63 Ca -0.09 -0.50 -0.27 0.00 -2.23 0.00 0.00 60.65 57.57 2glw s ILE 63 Cb -0.07 -2.52 -0.10 0.00 -1.58 0.00 0.00 42.46 38.20 2glw s ILE 63 CO -0.00 0.46 0.98 -0.63 -1.23 0.00 0.00 174.94 174.52 2glw s ILE 64 N 1.03 4.00 0.29 2.92 1.01 -1.06 -4.93 121.20 124.46 2glw s ILE 64 Ca 0.00 1.72 -0.29 0.00 0.00 0.00 0.00 60.65 62.08 2glw s ILE 64 Cb -0.15 -3.99 -0.10 0.00 0.01 0.00 0.00 42.46 38.23 2glw s ILE 64 CO -0.00 0.20 1.42 -2.16 0.00 0.00 0.00 174.94 174.40 2glw s PRO 65 N -1.93 4.26 0.42 2.79 0.04 -1.26 -4.86 135.00 134.46 2glw s PRO 65 Ca 0.50 2.33 0.14 0.00 0.04 0.00 0.00 61.00 64.01 2glw s PRO 65 Cb -0.22 -3.08 1.01 0.00 0.04 0.00 0.00 34.50 32.25 2glw s PRO 65 CO 0.28 -0.39 1.93 -0.22 0.04 0.00 0.00 177.00 178.64 2glw h LYS 66 N 4.38 0.44 -0.87 4.56 1.63 -1.94 -1.23 116.57 123.55 2glw h LYS 66 Ca -0.47 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.33 2glw h LYS 66 Cb 1.22 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 32.70 2glw h LYS 66 CO 0.73 0.29 0.57 0.00 -3.45 0.00 0.00 179.45 177.60 2glw h ALA 67 N 1.65 1.44 0.02 5.00 0.00 -2.01 -2.08 119.26 123.29 2glw h ALA 67 Ca 0.35 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 55.01 2glw h ALA 67 Cb 0.74 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2glw h ALA 67 CO -0.12 0.48 -0.95 -0.07 0.00 0.00 0.00 179.25 178.59 2glw h LEU 68 N 1.10 0.25 -0.52 0.00 3.38 -1.61 -2.97 115.31 114.94 2glw h LEU 68 Ca 0.34 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2glw h LEU 68 Cb -0.00 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2glw h LEU 68 CO -0.10 1.07 0.30 0.03 0.09 0.00 0.00 178.44 179.83 2glw h ARG 69 N 0.09 0.58 -0.09 1.13 3.08 -1.02 -1.85 114.38 116.30 2glw h ARG 69 Ca -0.05 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 2glw h ARG 69 Cb 1.61 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.53 2glw h ARG 69 CO 0.14 0.38 -0.11 0.22 -1.07 0.00 0.00 179.97 179.54 2glw h ASP 70 N 0.60 0.26 -0.78 7.04 3.58 -1.48 -1.61 116.42 124.03 2glw h ASP 70 Ca 0.22 -0.50 -0.00 0.00 0.42 0.00 0.00 57.03 57.16 2glw h ASP 70 Cb 0.05 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 40.99 2glw h ASP 70 CO -0.11 0.71 0.49 0.58 -2.88 0.00 0.00 179.24 178.03 2glw h VAL 71 N -0.18 1.21 0.00 2.25 2.07 -1.43 -2.30 116.25 117.87 2glw h VAL 71 Ca 0.01 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2glw h VAL 71 Cb 0.64 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2glw h VAL 71 CO 0.03 0.22 -0.23 0.40 0.02 0.00 0.00 177.57 178.01 2glw h ILE 72 N 1.08 0.00 -1.17 4.57 2.04 -1.33 -3.48 117.51 119.22 2glw h ILE 72 Ca 0.29 -0.77 -0.07 0.00 1.00 0.00 0.00 64.86 65.30 2glw h ILE 72 Cb -0.07 1.64 0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2glw h ILE 72 CO -0.06 0.00 -0.10 0.61 0.00 0.00 0.00 178.15 178.60 2glw n GLY 73 N 1.21 0.48 3.85 5.37 0.00 -0.65 -4.82 105.19 110.63 2glw n GLY 73 Ca 0.04 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 2glw n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2glw s ILE 74 N -2.63 5.06 0.18 -0.61 -1.09 -0.94 -5.06 121.20 116.11 2glw s ILE 74 Ca 0.05 0.69 0.04 0.00 -2.23 0.00 0.00 60.65 59.20 2glw s ILE 74 Cb -0.02 -3.68 -0.05 0.00 -1.58 0.00 0.00 42.46 37.13 2glw s ILE 74 CO 0.06 0.47 -0.06 -1.59 -1.23 0.00 0.00 174.94 172.60 2glw s LYS 75 N -1.38 1.17 0.23 2.79 -2.85 -1.26 -4.87 119.74 113.57 2glw s LYS 75 Ca 0.27 -1.54 -0.31 0.00 -1.00 0.00 0.00 55.97 53.39 2glw s LYS 75 Cb -0.16 -0.59 -0.14 0.00 -2.06 0.00 0.00 37.83 34.88 2glw s LYS 75 CO 0.15 -0.00 1.25 -2.30 0.10 0.00 0.00 175.35 174.54 2glw n PRO 76 N -0.28 1.63 -0.28 1.78 -0.02 -1.26 -2.38 135.00 134.19 2glw n PRO 76 Ca -0.08 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2glw n PRO 76 Cb 0.62 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 2glw n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2glw n GLY 77 N 1.86 0.74 3.75 -1.23 0.00 -0.61 -4.95 105.19 104.75 2glw n GLY 77 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 2glw n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2glw s GLU 78 N -0.65 4.17 -0.08 1.61 2.02 -1.00 -4.87 118.70 119.89 2glw s GLU 78 Ca 0.00 0.09 -0.17 0.00 0.02 0.00 0.00 54.97 54.91 2glw s GLU 78 Cb 0.00 -3.39 -0.05 0.00 0.10 0.00 0.00 34.13 30.79 2glw s GLU 78 CO 0.00 0.31 0.46 0.54 0.02 0.00 0.00 175.26 176.59 2glw s VAL 79 N 0.24 5.13 0.22 2.63 0.11 -1.26 -2.16 120.40 125.31 2glw s VAL 79 Ca 0.16 0.92 0.09 0.00 -2.93 0.00 0.00 61.98 60.22 2glw s VAL 79 Cb -0.13 -3.79 -0.05 0.00 -1.53 0.00 0.00 36.38 30.88 2glw s VAL 79 CO 0.04 0.40 -0.16 0.27 -3.33 0.00 0.00 175.10 172.32 2glw s ILE 80 N 0.11 1.94 -0.17 7.04 -4.36 -0.18 -4.90 121.20 120.68 2glw s ILE 80 Ca 0.25 -2.23 -0.12 0.00 -0.26 0.00 0.00 60.65 58.28 2glw s ILE 80 Cb -0.16 -2.09 -0.05 0.00 1.25 0.00 0.00 42.46 41.42 2glw s ILE 80 CO 0.11 -0.52 0.23 -0.70 0.24 0.00 0.00 174.94 174.31 2glw s GLU 81 N -3.53 4.18 -0.13 0.37 2.12 -1.09 -2.35 118.70 118.27 2glw s GLU 81 Ca 0.24 -0.01 -0.00 0.00 0.36 0.00 0.00 54.97 55.55 2glw s GLU 81 Cb -0.02 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.95 2glw s GLU 81 CO 0.09 0.30 -0.13 0.08 -0.54 0.00 0.00 175.26 175.06 2glw s VAL 82 N 0.30 3.00 -0.12 3.70 1.01 -0.22 -1.93 120.40 126.14 2glw s VAL 82 Ca 0.14 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2glw s VAL 82 Cb -0.12 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.00 2glw s VAL 82 CO 0.02 0.52 -0.20 -0.76 0.00 0.00 0.00 175.10 174.68 2glw s LEU 83 N 0.40 2.29 0.25 3.92 1.43 -0.34 -2.34 118.68 124.29 2glw s LEU 83 Ca -0.11 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.20 2glw s LEU 83 Cb -0.16 -1.48 -0.09 0.00 0.03 0.00 0.00 46.19 44.49 2glw s LEU 83 CO 0.05 0.14 0.95 -0.76 0.23 0.00 0.00 176.35 176.96 2glw s LEU 84 N 0.46 4.61 -0.09 1.79 1.43 -0.81 -1.01 118.68 125.06 2glw s LEU 84 Ca -0.14 1.95 0.05 0.00 -1.03 0.00 0.00 54.13 54.96 2glw s LEU 84 Cb -0.17 -3.65 -0.09 0.00 0.03 0.00 0.00 46.19 42.30 2glw s LEU 84 CO 0.06 0.13 -0.02 0.18 0.23 0.00 0.00 176.35 176.93 2glw n LEU 85 N 1.38 1.05 0.00 1.79 4.77 0.79 -1.86 117.00 124.91 2glw n LEU 85 Ca -0.02 -0.02 -0.01 0.00 -0.03 0.00 0.00 56.01 55.93 2glw n LEU 85 Cb 0.47 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.57 2glw n LEU 85 CO 0.50 0.38 0.25 0.61 -1.33 0.00 0.00 177.39 177.79 2glw n GLY 86 N 2.64 1.09 3.13 -0.72 0.00 -0.98 -4.76 105.19 105.59 2glw n GLY 86 Ca -0.16 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 2glw n GLY 86 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2glw s HIS 87 N -4.81 0.34 0.00 1.61 -3.43 -1.26 -1.23 115.29 106.51 2glw s HIS 87 Ca 0.07 -0.81 -0.03 0.00 -0.80 0.00 0.00 55.06 53.49 2glw s HIS 87 Cb -0.01 -0.24 -0.01 0.00 -1.43 0.00 0.00 32.58 30.90 2glw s HIS 87 CO 0.02 -0.43 0.05 0.71 -2.00 0.00 0.00 174.74 173.08 2glw s TYR 88 N -3.65 0.11 0.28 0.38 2.02 0.45 -4.90 117.35 112.04 2glw s TYR 88 Ca 0.04 -0.22 0.12 0.00 -0.37 0.00 0.00 57.07 56.63 2glw s TYR 88 Cb 0.05 -0.09 -0.05 0.00 -0.40 0.00 0.00 41.96 41.47 2glw s TYR 88 CO -0.09 -0.18 -0.18 -1.59 -1.57 0.00 0.00 175.55 171.93 2glw s LYS 89 N -1.05 1.73 0.41 -0.62 -2.85 -1.26 -2.34 119.74 113.76 2glw s LYS 89 Ca -0.11 -1.75 -0.25 0.00 -1.00 0.00 0.00 55.97 52.86 2glw s LYS 89 Cb -0.07 -1.80 -0.10 0.00 -2.06 0.00 0.00 37.83 33.80 2glw s LYS 89 CO 0.00 0.33 1.15 -2.30 0.10 0.00 0.00 175.35 174.63 2glw n PRO 90 N -0.64 1.66 -4.69 1.78 -0.02 -1.26 -5.00 135.00 126.82 2glw n PRO 90 Ca -0.05 0.59 -0.23 0.00 -2.02 0.00 0.00 63.50 61.78 2glw n PRO 90 Cb 0.60 -2.20 -0.15 0.00 -0.02 0.00 0.00 33.50 31.73 2glw n PRO 90 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2glw s ARG 91 N -2.07 1.27 0.00 -0.52 6.06 -1.26 -5.21 118.95 117.22 2glw s ARG 91 Ca 0.62 -0.65 0.00 0.00 -2.50 0.00 0.00 55.73 53.19 2glw s ARG 91 Cb -0.54 -1.25 0.00 0.00 0.06 0.00 0.00 34.95 33.21 2glw s ARG 91 CO 0.58 0.34 0.00 -1.71 -2.50 0.00 0.00 175.30 172.00