#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 6.53 -0.03 7.83 1.01 -1.26 -5.05 116.67 125.70 2glw s ASP 2 Ca 0.00 2.12 0.04 0.00 0.71 0.00 0.00 52.55 55.42 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 -0.66 -0.14 0.54 0.21 0.00 0.00 175.17 175.12 2glw s VAL 3 N -1.65 1.17 -0.29 -1.27 0.11 -1.26 -4.67 120.40 112.54 2glw s VAL 3 Ca 0.60 -0.59 0.21 0.00 -2.93 0.00 0.00 61.98 59.27 2glw s VAL 3 Cb -0.24 -1.01 0.13 0.00 -1.53 0.00 0.00 36.38 33.74 2glw s VAL 3 CO 0.29 0.34 1.32 -0.07 -3.33 0.00 0.00 175.10 173.66 2glw h LEU 4 N 6.16 0.00 -7.00 2.54 3.38 -1.70 -3.48 115.31 115.20 2glw h LEU 4 Ca -0.33 0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.81 2glw h LEU 4 Cb 1.17 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.71 2glw h LEU 4 CO 0.48 0.16 0.69 0.00 0.09 0.00 0.00 178.44 179.87 2glw s ALA 5 N -3.17 -1.99 -0.06 1.53 0.00 -1.26 -4.85 121.76 111.96 2glw s ALA 5 Ca 0.03 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.52 2glw s ALA 5 Cb 0.07 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.81 2glw s ALA 5 CO 0.74 -0.47 -0.04 0.21 0.00 0.00 0.00 175.76 176.19 2glw s LYS 6 N -1.95 0.95 0.15 0.00 2.20 -1.26 -1.93 119.74 117.89 2glw s LYS 6 Ca 0.05 -0.10 -0.13 0.00 -0.36 0.00 0.00 55.97 55.44 2glw s LYS 6 Cb -0.01 -1.04 0.01 0.00 -1.51 0.00 0.00 37.83 35.29 2glw s LYS 6 CO -0.04 -0.16 0.35 -0.59 -0.36 0.00 0.00 175.35 174.55 2glw s PHE 7 N 1.30 0.08 -0.06 4.03 -0.71 -0.97 -5.01 117.98 116.64 2glw s PHE 7 Ca -0.05 -0.44 0.03 0.00 -1.04 0.00 0.00 56.93 55.43 2glw s PHE 7 Cb -0.14 0.13 -0.03 0.00 -1.21 0.00 0.00 43.02 41.77 2glw s PHE 7 CO -0.02 -0.73 -0.12 -1.01 -1.34 0.00 0.00 175.22 172.00 2glw s HIS 8 N -3.88 2.77 0.14 3.49 3.76 -1.26 -0.96 115.29 119.34 2glw s HIS 8 Ca 0.09 -0.16 -0.13 0.00 -0.15 0.00 0.00 55.06 54.72 2glw s HIS 8 Cb 0.02 -1.67 0.01 0.00 1.11 0.00 0.00 32.58 32.06 2glw s HIS 8 CO -0.06 0.19 0.35 -0.08 -0.85 0.00 0.00 174.74 174.29 2glw s THR 9 N -0.65 0.08 0.24 1.30 -1.32 -1.01 -4.95 115.64 109.32 2glw s THR 9 Ca 0.10 -0.96 0.09 0.00 -1.21 0.00 0.00 61.69 59.70 2glw s THR 9 Cb -0.11 -1.46 -0.04 0.00 -1.51 0.00 0.00 72.50 69.37 2glw s THR 9 CO 0.01 -0.34 0.03 0.28 -2.21 0.00 0.00 174.62 172.39 2glw s THR 10 N -3.87 3.69 0.14 5.08 -1.32 -1.26 -1.11 115.64 116.99 2glw s THR 10 Ca 0.08 -1.70 -0.30 0.00 -1.21 0.00 0.00 61.69 58.56 2glw s THR 10 Cb 0.02 -2.95 -0.07 0.00 -1.51 0.00 0.00 72.50 68.00 2glw s THR 10 CO -0.07 -0.31 0.98 -0.69 -2.21 0.00 0.00 174.62 172.32 2glw s VAL 11 N -2.14 4.34 0.44 5.08 1.01 -0.93 -4.75 120.40 123.45 2glw s VAL 11 Ca 0.31 2.01 0.06 0.00 0.00 0.00 0.00 61.98 64.36 2glw s VAL 11 Cb -0.07 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 2glw s VAL 11 CO 0.20 0.34 0.17 -1.00 0.00 0.00 0.00 175.10 174.81 2glw s HIS 12 N -0.23 2.40 0.68 5.22 3.76 -0.78 -1.56 115.29 124.78 2glw s HIS 12 Ca 0.46 -0.67 -0.17 0.00 -0.15 0.00 0.00 55.06 54.54 2glw s HIS 12 Cb -0.25 -1.90 -0.09 0.00 1.11 0.00 0.00 32.58 31.46 2glw s HIS 12 CO 0.31 0.14 0.20 0.54 -0.85 0.00 0.00 174.74 175.08 2glw n ARG 13 N -1.27 0.21 -0.89 1.40 1.74 -1.26 -1.35 116.66 115.24 2glw n ARG 13 Ca -0.04 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2glw n ARG 13 Cb 0.65 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 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 -2.08 0.00 -1.04 0.55 5.41 -1.26 -2.32 119.36 118.62 2glw n ILE 14 Ca 0.08 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.82 2glw n ILE 14 Cb 0.50 -0.75 -0.01 0.00 -0.71 0.00 0.00 39.64 38.67 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 -0.20 0.51 3.79 7.39 0.00 -0.46 -4.80 105.19 111.42 2glw n GLY 15 Ca 0.00 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.41 4.44 0.10 1.61 3.52 -0.98 -2.37 118.95 123.85 2glw s ARG 16 Ca 0.00 1.07 0.04 0.00 -0.13 0.00 0.00 55.73 56.72 2glw s ARG 16 Cb 0.00 -2.98 -0.04 0.00 -1.56 0.00 0.00 34.95 30.37 2glw s ARG 16 CO 0.00 0.42 -0.11 0.96 -0.81 0.00 0.00 175.30 175.76 2glw s ILE 17 N -1.43 1.05 -0.12 4.11 -4.36 -0.81 -1.88 121.20 117.77 2glw s ILE 17 Ca 0.42 -1.63 0.01 0.00 -0.26 0.00 0.00 60.65 59.20 2glw s ILE 17 Cb -0.19 -1.37 -0.01 0.00 1.25 0.00 0.00 42.46 42.14 2glw s ILE 17 CO 0.23 -0.49 -0.17 -0.63 0.24 0.00 0.00 174.94 174.12 2glw s ILE 18 N -2.25 2.62 0.34 8.37 -1.09 -1.26 -1.72 121.20 126.20 2glw s ILE 18 Ca 0.06 -0.81 -0.25 0.00 -2.23 0.00 0.00 60.65 57.41 2glw s ILE 18 Cb -0.04 -2.07 -0.10 0.00 -1.58 0.00 0.00 42.46 38.67 2glw s ILE 18 CO 0.01 0.54 0.95 -0.63 -1.23 0.00 0.00 174.94 174.58 2glw s ILE 19 N 0.43 4.20 0.45 2.92 1.01 -1.16 -4.96 121.20 124.08 2glw s ILE 19 Ca -0.13 1.76 -0.25 0.00 0.00 0.00 0.00 60.65 62.04 2glw s ILE 19 Cb -0.17 -3.95 -0.08 0.00 0.01 0.00 0.00 42.46 38.28 2glw s ILE 19 CO 0.06 0.08 1.34 -2.16 0.00 0.00 0.00 174.94 174.26 2glw s PRO 20 N -2.20 3.71 0.58 2.79 0.04 -1.26 -4.87 135.00 133.79 2glw s PRO 20 Ca 0.52 2.22 0.27 0.00 0.04 0.00 0.00 61.00 64.06 2glw s PRO 20 Cb -0.18 -2.61 1.60 0.00 0.04 0.00 0.00 34.50 33.36 2glw s PRO 20 CO 0.23 -0.73 2.10 0.00 0.04 0.00 0.00 177.00 178.64 2glw h ALA 21 N 2.30 1.88 -0.35 8.56 0.00 -1.95 -1.75 119.26 127.95 2glw h ALA 21 Ca -0.50 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2glw h ALA 21 Cb 1.26 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2glw h ALA 21 CO 0.61 -0.29 0.10 0.78 0.00 0.00 0.00 179.25 180.45 2glw h GLY 22 N 0.00 0.60 1.39 0.00 0.00 -2.01 -2.58 103.07 100.48 2glw h GLY 22 Ca 0.09 -0.37 -0.14 0.00 0.00 0.00 0.00 47.33 46.92 2glw h GLY 22 CO -0.00 0.34 -0.38 -0.84 0.00 0.00 0.00 176.54 175.66 2glw h THR 23 N 0.42 1.29 -0.85 4.70 2.02 -1.69 -2.86 112.91 115.94 2glw h THR 23 Ca 0.11 -1.54 0.07 0.00 0.77 0.00 0.00 66.41 65.82 2glw h THR 23 Cb 0.28 1.48 -0.07 0.00 -1.74 0.00 0.00 68.15 68.10 2glw h THR 23 CO -0.00 0.50 0.51 0.03 0.37 0.00 0.00 175.52 176.93 2glw h ARG 24 N 0.56 0.88 0.01 6.66 3.08 -1.32 -2.00 114.38 122.25 2glw h ARG 24 Ca 0.05 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2glw h ARG 24 Cb 0.90 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2glw h ARG 24 CO 0.08 0.58 -0.00 -0.22 -1.07 0.00 0.00 179.97 179.34 2glw h LYS 25 N 0.91 -0.01 -0.88 0.04 1.63 -1.29 -0.59 116.57 116.38 2glw h LYS 25 Ca 0.39 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.26 2glw h LYS 25 Cb 0.25 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.82 2glw h LYS 25 CO -0.20 0.31 0.57 0.35 -3.45 0.00 0.00 179.45 177.03 2glw h PHE 26 N -0.33 0.99 0.00 1.91 3.57 -1.27 -1.89 116.94 119.92 2glw h PHE 26 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2glw h PHE 26 Cb 0.32 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2glw h PHE 26 CO 0.03 0.50 -0.50 0.98 -2.23 0.00 0.00 178.31 177.09 2glw n TYR 27 N -4.50 0.54 -2.61 0.41 4.19 -0.78 -4.96 117.16 109.46 2glw n TYR 27 Ca 0.14 0.16 -0.04 0.00 3.31 0.00 0.00 57.90 61.46 2glw n TYR 27 Cb 0.23 -0.66 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 1.35 0.55 3.70 2.98 0.00 -0.34 -5.01 105.19 108.42 2glw n GLY 28 Ca 0.04 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.07 5.05 0.14 -0.61 1.01 -0.55 -5.05 121.20 118.12 2glw s ILE 29 Ca 0.09 1.30 0.07 0.00 0.00 0.00 0.00 60.65 62.11 2glw s ILE 29 Cb -0.04 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 2glw s ILE 29 CO 0.15 0.20 -0.16 -0.70 0.00 0.00 0.00 174.94 174.43 2glw s GLU 30 N 1.22 1.13 0.33 2.79 2.12 -1.26 -4.87 118.70 120.15 2glw s GLU 30 Ca 0.33 -1.29 -0.28 0.00 0.36 0.00 0.00 54.97 54.09 2glw s GLU 30 Cb -0.17 -1.12 -0.13 0.00 0.26 0.00 0.00 34.13 32.98 2glw s GLU 30 CO 0.14 0.23 1.28 0.94 -0.54 0.00 0.00 175.26 177.31 2glw n GLN 31 N 0.52 2.06 0.00 4.30 7.27 -1.26 -1.88 117.38 128.38 2glw n GLN 31 Ca -0.15 0.72 0.00 0.00 0.07 0.00 0.00 57.00 57.64 2glw n GLN 31 Cb 0.57 -2.30 0.00 0.00 2.41 0.00 0.00 30.24 30.92 2glw n GLN 31 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2glw n GLY 32 N 0.96 2.31 3.83 1.69 0.00 -0.89 -5.01 105.19 108.07 2glw n GLY 32 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.68 5.72 -0.07 1.61 1.01 -0.79 -4.81 116.67 117.65 2glw s ASP 33 Ca 0.00 1.62 0.01 0.00 0.71 0.00 0.00 52.55 54.89 2glw s ASP 33 Cb 0.00 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 2glw s ASP 33 CO 0.00 -1.21 -0.09 -0.36 0.21 0.00 0.00 175.17 173.72 2glw s PHE 34 N -2.92 2.87 0.11 4.23 0.40 -1.02 -1.51 117.98 120.14 2glw s PHE 34 Ca 0.59 -0.09 0.05 0.00 -0.60 0.00 0.00 56.93 56.88 2glw s PHE 34 Cb -0.13 -1.71 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 2glw s PHE 34 CO 0.49 0.23 -0.13 0.14 0.70 0.00 0.00 175.22 176.66 2glw s VAL 35 N -0.63 1.19 -0.17 -0.44 -7.23 -0.67 -0.56 120.40 111.88 2glw s VAL 35 Ca 0.09 -1.68 -0.01 0.00 -1.81 0.00 0.00 61.98 58.58 2glw s VAL 35 Cb -0.11 -1.46 -0.00 0.00 0.56 0.00 0.00 36.38 35.37 2glw s VAL 35 CO 0.02 -0.46 -0.14 -0.70 -0.31 0.00 0.00 175.10 173.51 2glw s GLU 36 N -2.69 3.22 0.05 4.82 2.12 -0.28 -1.66 118.70 124.28 2glw s GLU 36 Ca 0.07 -0.73 -0.01 0.00 0.36 0.00 0.00 54.97 54.66 2glw s GLU 36 Cb -0.04 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.61 2glw s GLU 36 CO 0.02 -0.06 -0.03 -1.50 -0.54 0.00 0.00 175.26 173.16 2glw s ILE 37 N 1.01 0.21 0.03 -3.70 2.07 -0.87 -0.09 121.20 119.86 2glw s ILE 37 Ca -0.01 -1.76 0.03 0.00 -1.41 0.00 0.00 60.65 57.50 2glw s ILE 37 Cb -0.15 -1.45 -0.02 0.00 0.13 0.00 0.00 42.46 40.97 2glw s ILE 37 CO -0.03 -0.97 -0.10 -0.75 -1.91 0.00 0.00 174.94 171.19 2glw s LYS 38 N -3.79 0.65 0.12 3.50 2.20 -0.15 -1.98 119.74 120.29 2glw s LYS 38 Ca 0.06 -0.62 0.08 0.00 -0.36 0.00 0.00 55.97 55.13 2glw s LYS 38 Cb 0.07 -0.56 -0.04 0.00 -1.51 0.00 0.00 37.83 35.79 2glw s LYS 38 CO -0.10 0.13 -0.14 0.96 -0.36 0.00 0.00 175.35 175.85 2glw s ILE 39 N -0.88 3.09 -0.04 5.43 -4.36 -0.08 -1.13 121.20 123.22 2glw s ILE 39 Ca -0.03 -1.43 -0.02 0.00 -0.26 0.00 0.00 60.65 58.92 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 0.08 0.07 -0.69 0.24 0.00 0.00 174.94 174.65 2glw s VAL 40 N -1.23 -0.11 0.06 8.37 1.01 -0.72 -1.73 120.40 126.06 2glw s VAL 40 Ca 0.20 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.54 2glw s VAL 40 Cb -0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 2glw s VAL 40 CO 0.12 0.13 -0.12 -0.75 0.00 0.00 0.00 175.10 174.48 2glw s LYS 41 N 1.71 0.74 -0.21 2.72 2.20 -0.44 -2.58 119.74 123.88 2glw s LYS 41 Ca -0.02 -0.90 -0.10 0.00 -0.36 0.00 0.00 55.97 54.60 2glw s LYS 41 Cb -0.12 -0.69 -0.05 0.00 -1.51 0.00 0.00 37.83 35.46 2glw s LYS 41 CO -0.04 0.15 0.13 -0.47 -0.36 0.00 0.00 175.35 174.76 2glw s TYR 42 N -1.29 3.38 -0.04 4.03 5.04 -1.26 -0.92 117.35 126.29 2glw s TYR 42 Ca -0.04 0.29 0.02 0.00 -2.44 0.00 0.00 57.07 54.90 2glw s TYR 42 Cb -0.10 -2.17 0.02 0.00 0.35 0.00 0.00 41.96 40.06 2glw s TYR 42 CO 0.02 0.24 -0.07 -1.21 -1.34 0.00 0.00 175.55 173.19 2glw s GLU 43 N 0.47 1.06 7.90 4.97 2.02 -1.04 -4.94 118.70 129.14 2glw s GLU 43 Ca 0.08 -0.22 0.00 0.00 0.02 0.00 0.00 54.97 54.84 2glw s GLU 43 Cb -0.12 -0.97 0.00 0.00 0.10 0.00 0.00 34.13 33.14 2glw s GLU 43 CO -0.01 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.67 2glw n GLY 44 N 3.80 3.75 1.03 -1.39 0.00 -1.26 -1.85 105.19 109.27 2glw n GLY 44 Ca -0.23 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 2.79 -4.50 1.61 0.28 -1.26 -4.96 120.64 128.59 2glw n GLU 45 Ca 0.00 -2.38 -0.21 0.00 -0.16 0.00 0.00 57.16 54.41 2glw n GLU 45 Cb 0.00 -1.43 -0.15 0.00 1.43 0.00 0.00 31.44 31.29 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 -1.00 0.99 0.27 3.44 -1.05 -0.77 -5.13 118.70 115.44 2glw s GLU 46 Ca 0.37 -0.40 -0.30 0.00 -0.15 0.00 0.00 54.97 54.50 2glw s GLU 46 Cb 0.19 -0.94 -0.09 0.00 -0.44 0.00 0.00 34.13 32.85 2glw s GLU 46 CO 0.25 0.22 1.07 -1.25 0.95 0.00 0.00 175.26 176.50 2glw s PRO 47 N -0.14 4.68 -0.08 -4.83 0.04 -1.26 -2.48 135.00 130.92 2glw s PRO 47 Ca 0.02 1.74 0.01 0.00 0.04 0.00 0.00 61.00 62.82 2glw s PRO 47 Cb -0.06 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.25 2glw s PRO 47 CO -0.00 0.26 -0.12 0.15 0.04 0.00 0.00 177.00 177.34 2glw s LYS 48 N -1.36 2.88 0.18 4.56 -0.14 -0.10 -4.93 119.74 120.84 2glw s LYS 48 Ca 0.44 -0.65 -0.00 0.00 -1.36 0.00 0.00 55.97 54.40 2glw s LYS 48 Cb -0.31 -2.53 -0.04 0.00 -1.68 0.00 0.00 37.83 33.27 2glw s LYS 48 CO 0.39 0.50 0.09 -1.83 -0.76 0.00 0.00 175.35 173.73 2glw s GLU 49 N -0.38 1.13 -0.27 1.68 -1.05 -1.26 -1.33 118.70 117.22 2glw s GLU 49 Ca 0.05 -1.58 -0.21 0.00 -0.15 0.00 0.00 54.97 53.08 2glw s GLU 49 Cb -0.12 0.12 0.07 0.00 -0.44 0.00 0.00 34.13 33.76 2glw s GLU 49 CO 0.02 -0.31 0.69 0.20 0.95 0.00 0.00 175.26 176.82 2glw s GLY 50 N -3.15 -0.57 -0.04 -3.83 0.00 -0.71 -4.80 107.32 94.23 2glw s GLY 50 Ca 0.32 2.16 0.06 0.00 0.00 0.00 0.00 44.72 47.27 2glw s GLY 50 CO 0.08 2.00 -0.22 -1.59 0.00 0.00 0.00 173.10 173.37 2glw s THR 51 N 0.91 1.77 0.31 0.90 2.01 -1.26 -0.91 115.64 119.37 2glw s THR 51 Ca -0.04 -0.93 -0.14 0.00 0.31 0.00 0.00 61.69 60.88 2glw s THR 51 Cb -0.05 -1.49 0.02 0.00 0.01 0.00 0.00 72.50 70.99 2glw s THR 51 CO -0.08 0.50 0.63 0.72 -0.69 0.00 0.00 174.62 175.70 2glw s PHE 52 N -0.26 0.24 -0.08 4.92 -0.71 -0.84 -5.01 117.98 116.24 2glw s PHE 52 Ca 0.01 -0.70 -0.02 0.00 -1.04 0.00 0.00 56.93 55.19 2glw s PHE 52 Cb -0.11 0.47 -0.03 0.00 -1.21 0.00 0.00 43.02 42.14 2glw s PHE 52 CO 0.01 -1.24 0.01 0.99 -1.34 0.00 0.00 175.22 173.65 2glw s THR 53 N -3.39 4.35 -0.00 -4.49 2.01 -1.26 -2.06 115.64 110.80 2glw s THR 53 Ca 0.18 -0.26 -0.03 0.00 0.31 0.00 0.00 61.69 61.90 2glw s THR 53 Cb -0.03 -2.84 -0.00 0.00 0.01 0.00 0.00 72.50 69.63 2glw s THR 53 CO 0.11 0.59 0.05 0.00 -0.69 0.00 0.00 174.62 174.67 2glw s ALA 54 N -0.91 -0.09 0.09 7.40 0.00 -0.66 -5.00 121.76 122.58 2glw s ALA 54 Ca 0.14 -0.18 -0.10 0.00 0.00 0.00 0.00 51.96 51.82 2glw s ALA 54 Cb -0.11 0.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.99 2glw s ALA 54 CO 0.03 -0.12 0.42 0.50 0.00 0.00 0.00 175.76 176.59 2glw s ARG 55 N -0.85 3.78 -0.07 0.00 3.52 -1.26 -1.66 118.95 122.41 2glw s ARG 55 Ca -0.09 0.21 -0.30 0.00 -0.13 0.00 0.00 55.73 55.42 2glw s ARG 55 Cb -0.06 -2.98 -0.02 0.00 -1.56 0.00 0.00 34.95 30.33 2glw s ARG 55 CO 0.00 0.54 1.05 0.08 -0.81 0.00 0.00 175.30 176.16 2glw s VAL 56 N -1.42 4.66 0.04 7.11 1.01 -0.57 -4.74 120.40 126.50 2glw s VAL 56 Ca 0.34 1.93 0.01 0.00 0.00 0.00 0.00 61.98 64.26 2glw s VAL 56 Cb -0.14 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.00 2glw s VAL 56 CO 0.18 0.04 0.04 0.61 0.00 0.00 0.00 175.10 175.98 2glw n GLY 57 N 3.11 2.23 3.71 4.51 0.00 -0.87 -2.11 105.19 115.77 2glw n GLY 57 Ca 0.09 -2.15 -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 -2.16 1.78 -1.52 1.61 2.12 -1.26 -2.28 118.70 116.99 2glw s GLU 58 Ca 0.03 1.69 0.00 0.00 0.36 0.00 0.00 54.97 57.06 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 0.02 -2.09 0.00 1.04 -0.54 0.00 0.00 175.26 173.69 2glw n GLN 59 N -3.21 -1.41 -1.27 4.30 1.13 -1.26 -2.23 117.38 113.43 2glw n GLN 59 Ca 0.13 0.88 -0.08 0.00 -1.94 0.00 0.00 57.00 55.99 2glw n GLN 59 Cb 0.51 -5.15 -0.03 0.00 0.11 0.00 0.00 30.24 25.68 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 -0.19 0.95 3.79 1.08 0.00 -0.97 -4.69 105.19 105.16 2glw n GLY 60 Ca -0.14 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 2glw n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2glw s SER 61 N -2.90 7.03 0.02 1.61 1.04 -0.95 -3.01 113.70 116.54 2glw s SER 61 Ca 0.00 1.84 0.01 0.00 0.48 0.00 0.00 55.95 58.28 2glw s SER 61 Cb 0.00 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 2glw s SER 61 CO 0.00 -0.29 -0.03 0.54 0.98 0.00 0.00 173.24 174.44 2glw s VAL 62 N -1.82 0.19 -0.22 5.02 0.11 -0.70 -2.04 120.40 120.94 2glw s VAL 62 Ca 0.56 -0.64 -0.05 0.00 -2.93 0.00 0.00 61.98 58.92 2glw s VAL 62 Cb -0.16 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.40 2glw s VAL 62 CO 0.21 -0.29 0.00 -0.63 -3.33 0.00 0.00 175.10 171.06 2glw s ILE 63 N -0.94 3.85 0.29 7.04 -1.09 -1.26 -1.92 121.20 127.18 2glw s ILE 63 Ca -0.09 -0.34 -0.28 0.00 -2.23 0.00 0.00 60.65 57.71 2glw s ILE 63 Cb -0.07 -2.76 -0.09 0.00 -1.58 0.00 0.00 42.46 37.96 2glw s ILE 63 CO -0.00 0.41 0.97 -0.63 -1.23 0.00 0.00 174.94 174.45 2glw s ILE 64 N 1.29 4.02 0.25 2.92 1.01 -1.00 -4.93 121.20 124.76 2glw s ILE 64 Ca 0.04 1.84 -0.30 0.00 0.00 0.00 0.00 60.65 62.23 2glw s ILE 64 Cb -0.15 -4.10 -0.10 0.00 0.01 0.00 0.00 42.46 38.12 2glw s ILE 64 CO 0.01 0.30 1.46 -2.16 0.00 0.00 0.00 174.94 174.54 2glw s PRO 65 N -1.68 4.25 0.42 2.79 0.04 -1.26 -4.82 135.00 134.75 2glw s PRO 65 Ca 0.47 2.33 0.14 0.00 0.04 0.00 0.00 61.00 63.98 2glw s PRO 65 Cb -0.23 -3.10 1.02 0.00 0.04 0.00 0.00 34.50 32.23 2glw s PRO 65 CO 0.30 -0.44 1.94 -0.22 0.04 0.00 0.00 177.00 178.61 2glw h LYS 66 N 5.03 0.42 -0.81 4.56 3.64 -1.94 -1.17 116.57 126.30 2glw h LYS 66 Ca -0.46 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 58.93 2glw h LYS 66 Cb 1.22 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.90 2glw h LYS 66 CO 0.78 0.28 0.53 0.00 -2.27 0.00 0.00 179.45 178.77 2glw h ALA 67 N 1.66 1.52 0.02 5.00 0.00 -2.01 -1.67 119.26 123.78 2glw h ALA 67 Ca 0.34 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 55.00 2glw h ALA 67 Cb 0.72 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2glw h ALA 67 CO -0.11 0.40 -0.94 -0.07 0.00 0.00 0.00 179.25 178.53 2glw h LEU 68 N 0.99 0.26 -0.49 0.00 3.38 -1.60 -2.99 115.31 114.86 2glw h LEU 68 Ca 0.32 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.11 2glw h LEU 68 Cb 0.05 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2glw h LEU 68 CO -0.10 1.06 0.26 0.03 0.09 0.00 0.00 178.44 179.78 2glw h ARG 69 N 0.09 0.49 -0.10 1.13 3.08 -0.93 -1.60 114.38 116.55 2glw h ARG 69 Ca -0.05 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 2glw h ARG 69 Cb 1.60 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.54 2glw h ARG 69 CO 0.14 0.32 -0.12 -0.44 -1.07 0.00 0.00 179.97 178.81 2glw h ASP 70 N 0.50 0.27 -0.80 7.04 3.32 -1.48 -1.66 116.42 123.61 2glw h ASP 70 Ca 0.21 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2glw h ASP 70 Cb 0.10 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 2glw h ASP 70 CO -0.13 0.73 0.51 0.58 -1.72 0.00 0.00 179.24 179.20 2glw h VAL 71 N -0.18 1.22 0.00 -1.35 2.07 -1.42 -2.34 116.25 114.25 2glw h VAL 71 Ca 0.01 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2glw h VAL 71 Cb 0.66 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2glw h VAL 71 CO 0.03 0.22 -0.22 0.40 0.02 0.00 0.00 177.57 178.02 2glw h ILE 72 N 1.11 0.00 -1.24 4.57 2.04 -1.29 -3.48 117.51 119.21 2glw h ILE 72 Ca 0.29 -0.80 -0.07 0.00 1.00 0.00 0.00 64.86 65.28 2glw h ILE 72 Cb -0.08 1.68 0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2glw h ILE 72 CO -0.06 0.00 -0.11 0.61 0.00 0.00 0.00 178.15 178.59 2glw n GLY 73 N 1.20 0.46 3.85 5.37 0.00 -0.67 -4.83 105.19 110.56 2glw n GLY 73 Ca 0.04 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.64 4.99 0.21 -0.61 -1.09 -0.95 -5.06 121.20 116.05 2glw s ILE 74 Ca 0.06 0.75 0.05 0.00 -2.23 0.00 0.00 60.65 59.27 2glw s ILE 74 Cb -0.02 -3.71 -0.05 0.00 -1.58 0.00 0.00 42.46 37.09 2glw s ILE 74 CO 0.07 0.42 -0.05 -0.54 -1.23 0.00 0.00 174.94 173.61 2glw s LYS 75 N -1.51 1.27 0.30 2.79 1.02 -1.26 -4.87 119.74 117.49 2glw s LYS 75 Ca 0.30 -1.61 -0.30 0.00 0.02 0.00 0.00 55.97 54.38 2glw s LYS 75 Cb -0.16 -0.73 -0.12 0.00 -0.52 0.00 0.00 37.83 36.31 2glw s LYS 75 CO 0.16 -0.00 1.60 -0.35 -0.92 0.00 0.00 175.35 175.84 2glw n PRO 76 N -0.36 2.72 -0.41 -1.68 -0.04 -1.26 -2.42 135.00 131.55 2glw n PRO 76 Ca -0.07 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 2glw n PRO 76 Cb 0.62 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 2glw n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2glw n GLY 77 N 2.06 0.71 3.77 0.55 0.00 -0.60 -4.96 105.19 106.72 2glw n GLY 77 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.59 4.04 -0.07 1.61 2.02 -1.02 -4.87 118.70 119.83 2glw s GLU 78 Ca 0.00 0.01 -0.17 0.00 0.02 0.00 0.00 54.97 54.83 2glw s GLU 78 Cb 0.00 -3.36 -0.05 0.00 0.10 0.00 0.00 34.13 30.83 2glw s GLU 78 CO 0.00 0.41 0.47 0.54 0.02 0.00 0.00 175.26 176.69 2glw s VAL 79 N -0.02 5.11 0.23 2.63 0.11 -1.26 -2.19 120.40 125.00 2glw s VAL 79 Ca 0.15 0.94 0.10 0.00 -2.93 0.00 0.00 61.98 60.24 2glw s VAL 79 Cb -0.13 -3.80 -0.05 0.00 -1.53 0.00 0.00 36.38 30.88 2glw s VAL 79 CO 0.04 0.41 -0.17 0.27 -3.33 0.00 0.00 175.10 172.31 2glw s ILE 80 N 0.04 2.08 -0.17 7.04 -4.36 -0.27 -4.92 121.20 120.64 2glw s ILE 80 Ca 0.25 -2.27 -0.11 0.00 -0.26 0.00 0.00 60.65 58.26 2glw s ILE 80 Cb -0.16 -2.14 -0.05 0.00 1.25 0.00 0.00 42.46 41.36 2glw s ILE 80 CO 0.12 -0.48 0.20 -0.70 0.24 0.00 0.00 174.94 174.31 2glw s GLU 81 N -3.50 4.15 -0.12 0.37 2.12 -1.07 -2.41 118.70 118.23 2glw s GLU 81 Ca 0.25 -0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.50 2glw s GLU 81 Cb -0.03 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.95 2glw s GLU 81 CO 0.10 0.33 -0.15 0.08 -0.54 0.00 0.00 175.26 175.08 2glw s VAL 82 N 0.25 2.91 -0.11 3.70 1.01 -0.14 -1.76 120.40 126.26 2glw s VAL 82 Ca 0.12 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.40 2glw s VAL 82 Cb -0.12 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 2glw s VAL 82 CO 0.01 0.53 -0.17 -0.76 0.00 0.00 0.00 175.10 174.71 2glw s LEU 83 N 0.32 2.48 0.25 3.92 1.43 -0.29 -2.30 118.68 124.49 2glw s LEU 83 Ca -0.12 -0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 52.29 2glw s LEU 83 Cb -0.16 -1.53 -0.09 0.00 0.03 0.00 0.00 46.19 44.44 2glw s LEU 83 CO 0.06 0.18 0.92 -0.76 0.23 0.00 0.00 176.35 176.98 2glw s LEU 84 N 0.27 4.58 -0.07 1.79 1.43 -0.81 -0.98 118.68 124.89 2glw s LEU 84 Ca -0.12 1.89 0.06 0.00 -1.03 0.00 0.00 54.13 54.92 2glw s LEU 84 Cb -0.16 -3.65 -0.08 0.00 0.03 0.00 0.00 46.19 42.33 2glw s LEU 84 CO 0.06 0.12 0.01 0.18 0.23 0.00 0.00 176.35 176.96 2glw n LEU 85 N 1.32 0.30 0.00 1.79 4.77 0.87 -1.99 117.00 124.06 2glw n LEU 85 Ca -0.02 -0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.93 2glw n LEU 85 Cb 0.48 0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.71 2glw n LEU 85 CO 0.48 0.22 0.63 0.61 -1.33 0.00 0.00 177.39 178.01 2glw n GLY 86 N 2.62 0.76 3.13 -0.72 0.00 -0.96 -4.78 105.19 105.25 2glw n GLY 86 Ca -0.12 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.96 0.11 -0.01 1.61 -3.43 -1.26 -1.13 115.29 108.22 2glw s HIS 87 Ca 0.18 -0.33 0.02 0.00 -0.80 0.00 0.00 55.06 54.12 2glw s HIS 87 Cb -0.02 -0.08 -0.00 0.00 -1.43 0.00 0.00 32.58 31.04 2glw s HIS 87 CO 0.05 -0.37 -0.05 0.71 -2.00 0.00 0.00 174.74 173.08 2glw s TYR 88 N -2.27 0.48 -0.27 0.38 2.02 0.27 -4.93 117.35 113.03 2glw s TYR 88 Ca -0.08 -0.09 0.01 0.00 -0.37 0.00 0.00 57.07 56.54 2glw s TYR 88 Cb -0.03 -0.33 0.05 0.00 -0.40 0.00 0.00 41.96 41.25 2glw s TYR 88 CO -0.03 -0.03 -0.07 0.15 -1.57 0.00 0.00 175.55 174.01 2glw s LYS 89 N 0.01 2.37 0.53 -0.62 1.02 -1.26 -2.45 119.74 119.34 2glw s LYS 89 Ca 0.00 -1.28 -0.21 0.00 0.02 0.00 0.00 55.97 54.50 2glw s LYS 89 Cb -0.04 -3.00 -0.07 0.00 -0.52 0.00 0.00 37.83 34.20 2glw s LYS 89 CO -0.00 -0.57 0.98 -2.30 -0.92 0.00 0.00 175.35 172.54 2glw n PRO 90 N 4.52 1.11 -4.91 -1.68 -0.02 -1.26 -5.01 135.00 127.74 2glw n PRO 90 Ca -0.14 0.41 -0.30 0.00 -2.02 0.00 0.00 63.50 61.45 2glw n PRO 90 Cb 0.43 -2.12 -0.15 0.00 -0.02 0.00 0.00 33.50 31.64 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 -2.45 1.79 0.00 -0.52 6.06 -1.26 -5.16 118.95 117.41 2glw s ARG 91 Ca 0.70 -1.08 0.29 0.00 -2.50 0.00 0.00 55.73 53.14 2glw s ARG 91 Cb -0.47 -1.94 1.73 0.00 0.06 0.00 0.00 34.95 34.33 2glw s ARG 91 CO 0.51 0.50 2.07 0.09 -2.50 0.00 0.00 175.30 175.98