#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 7.30 -0.01 7.83 1.01 -1.26 -5.06 116.67 126.48 2glw s ASP 2 Ca 0.00 1.99 0.05 0.00 0.71 0.00 0.00 52.55 55.30 2glw s ASP 2 Cb 0.00 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 2glw s ASP 2 CO 0.00 -0.10 -0.16 0.54 0.21 0.00 0.00 175.17 175.66 2glw s VAL 3 N -1.42 1.23 -0.27 -1.27 0.11 -1.26 -4.67 120.40 112.85 2glw s VAL 3 Ca 0.48 -0.68 0.22 0.00 -2.93 0.00 0.00 61.98 59.06 2glw s VAL 3 Cb -0.24 -1.03 0.08 0.00 -1.53 0.00 0.00 36.38 33.66 2glw s VAL 3 CO 0.30 0.33 1.19 -0.07 -3.33 0.00 0.00 175.10 173.52 2glw h LEU 4 N 5.71 0.00 -7.00 2.54 3.38 -1.66 -3.48 115.31 114.80 2glw h LEU 4 Ca -0.36 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.79 2glw h LEU 4 Cb 1.16 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.71 2glw h LEU 4 CO 0.48 0.09 0.68 0.00 0.09 0.00 0.00 178.44 179.79 2glw s ALA 5 N -3.26 -1.98 -0.06 1.53 0.00 -1.26 -4.83 121.76 111.90 2glw s ALA 5 Ca 0.01 1.46 0.01 0.00 0.00 0.00 0.00 51.96 53.44 2glw s ALA 5 Cb 0.08 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.02 2glw s ALA 5 CO 0.76 -0.54 -0.06 0.21 0.00 0.00 0.00 175.76 176.14 2glw s LYS 6 N -2.25 1.05 0.13 0.00 2.20 -1.26 -1.85 119.74 117.76 2glw s LYS 6 Ca 0.06 -0.15 -0.11 0.00 -0.36 0.00 0.00 55.97 55.42 2glw s LYS 6 Cb -0.01 -1.07 0.01 0.00 -1.51 0.00 0.00 37.83 35.25 2glw s LYS 6 CO -0.05 -0.13 0.30 -0.59 -0.36 0.00 0.00 175.35 174.52 2glw s PHE 7 N 1.16 0.15 -0.07 4.03 -0.71 -0.96 -5.00 117.98 116.58 2glw s PHE 7 Ca -0.07 -0.53 0.03 0.00 -1.04 0.00 0.00 56.93 55.32 2glw s PHE 7 Cb -0.14 0.04 -0.02 0.00 -1.21 0.00 0.00 43.02 41.69 2glw s PHE 7 CO -0.01 -0.68 -0.13 -1.01 -1.34 0.00 0.00 175.22 172.05 2glw s HIS 8 N -3.89 2.75 0.14 3.49 3.76 -1.26 -1.02 115.29 119.26 2glw s HIS 8 Ca 0.10 -0.22 -0.13 0.00 -0.15 0.00 0.00 55.06 54.66 2glw s HIS 8 Cb 0.03 -1.68 0.01 0.00 1.11 0.00 0.00 32.58 32.05 2glw s HIS 8 CO -0.06 0.14 0.35 -0.08 -0.85 0.00 0.00 174.74 174.23 2glw s THR 9 N -0.55 0.08 0.27 1.30 -1.32 -1.01 -4.94 115.64 109.47 2glw s THR 9 Ca 0.08 -0.97 0.09 0.00 -1.21 0.00 0.00 61.69 59.67 2glw s THR 9 Cb -0.12 -1.47 -0.04 0.00 -1.51 0.00 0.00 72.50 69.36 2glw s THR 9 CO 0.01 -0.35 0.06 0.28 -2.21 0.00 0.00 174.62 172.42 2glw s THR 10 N -3.88 3.68 0.15 5.08 -1.32 -1.26 -0.97 115.64 117.13 2glw s THR 10 Ca 0.08 -1.77 -0.30 0.00 -1.21 0.00 0.00 61.69 58.50 2glw s THR 10 Cb 0.02 -3.00 -0.07 0.00 -1.51 0.00 0.00 72.50 67.95 2glw s THR 10 CO -0.07 -0.36 0.99 -0.69 -2.21 0.00 0.00 174.62 172.28 2glw s VAL 11 N -2.28 4.27 0.44 5.08 1.01 -0.94 -4.74 120.40 123.23 2glw s VAL 11 Ca 0.32 1.98 0.06 0.00 0.00 0.00 0.00 61.98 64.34 2glw s VAL 11 Cb -0.07 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 2glw s VAL 11 CO 0.21 0.35 0.12 -1.00 0.00 0.00 0.00 175.10 174.79 2glw s HIS 12 N -0.33 2.38 0.65 5.22 3.76 -0.76 -1.68 115.29 124.54 2glw s HIS 12 Ca 0.46 -0.69 -0.17 0.00 -0.15 0.00 0.00 55.06 54.51 2glw s HIS 12 Cb -0.25 -1.85 -0.09 0.00 1.11 0.00 0.00 32.58 31.49 2glw s HIS 12 CO 0.31 0.21 0.19 0.54 -0.85 0.00 0.00 174.74 175.14 2glw n ARG 13 N -1.21 0.23 -0.88 1.40 1.74 -1.26 -1.31 116.66 115.36 2glw n ARG 13 Ca -0.05 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2glw n ARG 13 Cb 0.66 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 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 -1.98 0.00 -1.05 0.55 5.41 -1.26 -2.33 119.36 118.71 2glw n ILE 14 Ca 0.08 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.82 2glw n ILE 14 Cb 0.49 -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 -0.21 0.52 3.81 7.39 0.00 -0.43 -4.82 105.19 111.46 2glw n GLY 15 Ca 0.00 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.44 4.29 0.10 1.61 3.52 -0.98 -2.49 118.95 123.55 2glw s ARG 16 Ca 0.00 0.93 0.04 0.00 -0.13 0.00 0.00 55.73 56.57 2glw s ARG 16 Cb 0.00 -2.81 -0.04 0.00 -1.56 0.00 0.00 34.95 30.54 2glw s ARG 16 CO 0.00 0.35 -0.10 0.96 -0.81 0.00 0.00 175.30 175.69 2glw s ILE 17 N -1.59 0.99 -0.14 4.11 -4.36 -0.72 -1.83 121.20 117.67 2glw s ILE 17 Ca 0.45 -1.69 0.01 0.00 -0.26 0.00 0.00 60.65 59.16 2glw s ILE 17 Cb -0.16 -1.43 -0.01 0.00 1.25 0.00 0.00 42.46 42.11 2glw s ILE 17 CO 0.21 -0.57 -0.15 -0.63 0.24 0.00 0.00 174.94 174.04 2glw s ILE 18 N -2.52 2.76 0.32 8.37 -1.09 -1.26 -1.73 121.20 126.04 2glw s ILE 18 Ca 0.07 -0.76 -0.27 0.00 -2.23 0.00 0.00 60.65 57.47 2glw s ILE 18 Cb -0.02 -2.15 -0.10 0.00 -1.58 0.00 0.00 42.46 38.61 2glw s ILE 18 CO 0.00 0.52 0.95 -0.63 -1.23 0.00 0.00 174.94 174.56 2glw s ILE 19 N 0.53 4.15 0.44 2.92 1.01 -1.16 -4.95 121.20 124.13 2glw s ILE 19 Ca -0.10 1.82 -0.25 0.00 0.00 0.00 0.00 60.65 62.12 2glw s ILE 19 Cb -0.16 -4.03 -0.08 0.00 0.01 0.00 0.00 42.46 38.20 2glw s ILE 19 CO 0.04 0.18 1.36 -2.16 0.00 0.00 0.00 174.94 174.36 2glw s PRO 20 N -1.96 3.77 0.57 2.79 0.04 -1.26 -4.86 135.00 134.09 2glw s PRO 20 Ca 0.49 2.28 0.26 0.00 0.04 0.00 0.00 61.00 64.07 2glw s PRO 20 Cb -0.20 -2.67 1.58 0.00 0.04 0.00 0.00 34.50 33.26 2glw s PRO 20 CO 0.25 -0.70 2.12 0.00 0.04 0.00 0.00 177.00 178.72 2glw h ALA 21 N 2.41 1.88 -0.43 8.56 0.00 -1.95 -1.73 119.26 128.01 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 19.04 2glw h ALA 21 CO 0.61 -0.24 0.10 0.78 0.00 0.00 0.00 179.25 180.51 2glw h GLY 22 N 0.00 0.74 1.27 0.00 0.00 -2.00 -2.21 103.07 100.87 2glw h GLY 22 Ca 0.08 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.79 2glw h GLY 22 CO -0.00 0.43 -0.42 -0.84 0.00 0.00 0.00 176.54 175.71 2glw h THR 23 N 0.55 1.28 -0.94 4.70 2.02 -1.69 -2.63 112.91 116.21 2glw h THR 23 Ca 0.13 -1.60 0.09 0.00 0.77 0.00 0.00 66.41 65.81 2glw h THR 23 Cb 0.32 1.48 -0.07 0.00 -1.74 0.00 0.00 68.15 68.14 2glw h THR 23 CO 0.00 0.52 0.59 0.03 0.37 0.00 0.00 175.52 177.03 2glw h ARG 24 N 0.64 0.97 0.01 6.66 3.08 -1.33 -1.90 114.38 122.50 2glw h ARG 24 Ca 0.05 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2glw h ARG 24 Cb 0.98 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.81 2glw h ARG 24 CO 0.09 0.64 -0.00 -0.22 -1.07 0.00 0.00 179.97 179.41 2glw h LYS 25 N 1.00 -0.01 -0.98 0.04 3.64 -1.15 0.15 116.57 119.26 2glw h LYS 25 Ca 0.44 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.88 2glw h LYS 25 Cb 0.32 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 2glw h LYS 25 CO -0.22 0.28 0.64 0.35 -2.27 0.00 0.00 179.45 178.23 2glw h PHE 26 N -0.29 1.18 0.00 1.91 3.57 -1.11 -2.26 116.94 119.93 2glw h PHE 26 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2glw h PHE 26 Cb 0.29 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.64 2glw h PHE 26 CO 0.02 0.62 -0.55 0.98 -2.23 0.00 0.00 178.31 177.16 2glw n TYR 27 N -4.49 0.52 -2.62 0.41 4.19 -0.75 -4.97 117.16 109.46 2glw n TYR 27 Ca 0.15 0.15 -0.05 0.00 3.31 0.00 0.00 57.90 61.46 2glw n TYR 27 Cb 0.17 -0.64 0.02 0.00 0.49 0.00 0.00 39.34 39.38 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 3.68 2.98 0.00 0.37 -5.00 105.19 109.12 2glw n GLY 28 Ca 0.04 -0.45 -0.40 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 -3.07 5.01 0.19 -0.61 1.01 -0.33 -5.04 121.20 118.37 2glw s ILE 29 Ca 0.09 1.32 0.07 0.00 0.00 0.00 0.00 60.65 62.14 2glw s ILE 29 Cb -0.04 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 2glw s ILE 29 CO 0.15 0.14 -0.14 -1.61 0.00 0.00 0.00 174.94 173.49 2glw s GLU 30 N 1.60 1.27 0.32 2.79 2.02 -1.26 -4.86 118.70 120.58 2glw s GLU 30 Ca 0.33 -1.56 -0.29 0.00 0.02 0.00 0.00 54.97 53.47 2glw s GLU 30 Cb -0.16 -1.02 -0.12 0.00 0.10 0.00 0.00 34.13 32.92 2glw s GLU 30 CO 0.13 0.16 1.42 1.04 0.02 0.00 0.00 175.26 178.03 2glw n GLN 31 N -0.34 2.35 0.00 1.61 6.02 -1.26 -2.03 117.38 123.73 2glw n GLN 31 Ca -0.08 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.73 2glw n GLN 31 Cb 0.60 -2.50 0.00 0.00 1.02 0.00 0.00 30.24 29.37 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 1.19 2.36 3.83 1.08 0.00 -1.00 -5.00 105.19 107.64 2glw n GLY 32 Ca 0.06 0.00 -0.32 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 -1.59 6.10 -0.07 1.61 1.01 -0.86 -4.81 116.67 118.05 2glw s ASP 33 Ca 0.00 1.65 0.01 0.00 0.71 0.00 0.00 52.55 54.92 2glw s ASP 33 Cb 0.00 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 2glw s ASP 33 CO 0.00 -0.95 -0.08 -0.36 0.21 0.00 0.00 175.17 173.99 2glw s PHE 34 N -2.69 2.89 0.12 4.23 0.40 -0.93 -1.62 117.98 120.38 2glw s PHE 34 Ca 0.60 -0.07 0.06 0.00 -0.60 0.00 0.00 56.93 56.92 2glw s PHE 34 Cb -0.13 -1.72 -0.04 0.00 0.51 0.00 0.00 43.02 41.65 2glw s PHE 34 CO 0.39 0.25 -0.13 0.14 0.70 0.00 0.00 175.22 176.57 2glw s VAL 35 N -0.65 1.27 -0.18 -0.44 -7.23 -0.76 -0.66 120.40 111.75 2glw s VAL 35 Ca 0.10 -1.73 -0.01 0.00 -1.81 0.00 0.00 61.98 58.53 2glw s VAL 35 Cb -0.11 -1.53 0.00 0.00 0.56 0.00 0.00 36.38 35.30 2glw s VAL 35 CO 0.02 -0.45 -0.13 -0.70 -0.31 0.00 0.00 175.10 173.52 2glw s GLU 36 N -2.75 3.21 0.05 4.82 2.12 -0.41 -1.82 118.70 123.92 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 -0.04 -2.72 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 2glw s GLU 36 CO 0.03 -0.10 -0.04 -1.50 -0.54 0.00 0.00 175.26 173.11 2glw s ILE 37 N 1.12 0.30 0.03 -3.70 2.07 -0.93 -0.14 121.20 119.95 2glw s ILE 37 Ca 0.01 -1.68 0.03 0.00 -1.41 0.00 0.00 60.65 57.60 2glw s ILE 37 Cb -0.14 -1.34 -0.02 0.00 0.13 0.00 0.00 42.46 41.09 2glw s ILE 37 CO -0.04 -0.89 -0.10 -0.75 -1.91 0.00 0.00 174.94 171.25 2glw s LYS 38 N -3.47 0.70 0.13 3.50 2.20 -0.13 -2.14 119.74 120.54 2glw s LYS 38 Ca 0.04 -0.62 0.08 0.00 -0.36 0.00 0.00 55.97 55.11 2glw s LYS 38 Cb 0.04 -0.63 -0.04 0.00 -1.51 0.00 0.00 37.83 35.69 2glw s LYS 38 CO -0.07 0.15 -0.14 0.96 -0.36 0.00 0.00 175.35 175.89 2glw s ILE 39 N -0.83 3.07 -0.03 5.43 -4.36 -0.11 -1.12 121.20 123.24 2glw s ILE 39 Ca -0.02 -1.48 -0.00 0.00 -0.26 0.00 0.00 60.65 58.89 2glw s ILE 39 Cb -0.07 -2.45 0.03 0.00 1.25 0.00 0.00 42.46 41.22 2glw s ILE 39 CO 0.01 0.05 0.02 -0.69 0.24 0.00 0.00 174.94 174.56 2glw s VAL 40 N -1.31 0.07 0.02 8.37 1.01 -0.79 -1.74 120.40 126.04 2glw s VAL 40 Ca 0.21 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.38 2glw s VAL 40 Cb -0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 2glw s VAL 40 CO 0.12 0.14 -0.05 -0.75 0.00 0.00 0.00 175.10 174.56 2glw s LYS 41 N 1.25 0.37 -0.20 2.72 2.47 -0.71 -2.63 119.74 123.02 2glw s LYS 41 Ca -0.07 -0.52 -0.09 0.00 -1.56 0.00 0.00 55.97 53.73 2glw s LYS 41 Cb -0.13 -0.14 -0.04 0.00 -1.46 0.00 0.00 37.83 36.05 2glw s LYS 41 CO -0.03 0.02 0.10 -0.47 0.16 0.00 0.00 175.35 175.14 2glw s TYR 42 N -1.03 3.31 -0.04 4.03 5.04 -1.26 -1.20 117.35 126.20 2glw s TYR 42 Ca -0.09 0.17 0.02 0.00 -2.44 0.00 0.00 57.07 54.73 2glw s TYR 42 Cb -0.07 -2.14 0.01 0.00 0.35 0.00 0.00 41.96 40.11 2glw s TYR 42 CO -0.00 0.17 -0.09 -1.21 -1.34 0.00 0.00 175.55 173.08 2glw s GLU 43 N 0.51 1.11 7.96 4.97 2.02 -1.09 -4.98 118.70 129.20 2glw s GLU 43 Ca 0.05 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 54.76 2glw s GLU 43 Cb -0.12 -1.01 0.00 0.00 0.10 0.00 0.00 34.13 33.10 2glw s GLU 43 CO 0.00 0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.74 2glw n GLY 44 N 3.61 3.75 1.13 -1.39 0.00 -1.26 -1.82 105.19 109.21 2glw n GLY 44 Ca -0.21 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 3.11 -4.28 1.61 0.28 -1.26 -4.94 120.64 129.15 2glw n GLU 45 Ca 0.00 -2.55 -0.23 0.00 -0.16 0.00 0.00 57.16 54.22 2glw n GLU 45 Cb 0.00 -1.60 -0.17 0.00 1.43 0.00 0.00 31.44 31.11 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 -1.46 1.31 0.26 3.44 -1.05 -0.76 -5.13 118.70 115.32 2glw s GLU 46 Ca 0.40 -0.25 -0.30 0.00 -0.15 0.00 0.00 54.97 54.67 2glw s GLU 46 Cb 0.24 -1.22 -0.09 0.00 -0.44 0.00 0.00 34.13 32.62 2glw s GLU 46 CO 0.22 -0.08 1.08 -2.14 0.95 0.00 0.00 175.26 175.29 2glw s PRO 47 N 1.00 4.67 0.15 -4.83 0.02 -1.26 -2.65 135.00 132.09 2glw s PRO 47 Ca -0.09 1.75 0.11 0.00 0.02 0.00 0.00 61.00 62.78 2glw s PRO 47 Cb -0.15 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.12 2glw s PRO 47 CO -0.00 0.24 -0.23 0.15 -0.33 0.00 0.00 177.00 176.83 2glw s LYS 48 N -1.26 1.58 0.19 5.54 1.02 -0.34 -4.95 119.74 121.51 2glw s LYS 48 Ca 0.45 -1.36 -0.01 0.00 0.02 0.00 0.00 55.97 55.06 2glw s LYS 48 Cb -0.31 -1.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.01 2glw s LYS 48 CO 0.39 0.44 0.12 -1.83 -0.92 0.00 0.00 175.35 173.54 2glw s GLU 49 N -2.34 1.15 -0.26 1.68 -1.05 -1.26 -1.74 118.70 114.88 2glw s GLU 49 Ca 0.18 -1.59 -0.20 0.00 -0.15 0.00 0.00 54.97 53.21 2glw s GLU 49 Cb -0.09 0.27 0.07 0.00 -0.44 0.00 0.00 34.13 33.93 2glw s GLU 49 CO 0.09 -0.37 0.66 0.20 0.95 0.00 0.00 175.26 176.79 2glw s GLY 50 N -3.14 -0.54 -0.04 -3.83 0.00 -0.71 -4.88 107.32 94.19 2glw s GLY 50 Ca 0.36 2.05 0.06 0.00 0.00 0.00 0.00 44.72 47.19 2glw s GLY 50 CO 0.10 1.90 -0.22 -1.59 0.00 0.00 0.00 173.10 173.29 2glw s THR 51 N 0.87 1.78 0.30 0.90 2.01 -1.26 -0.93 115.64 119.30 2glw s THR 51 Ca -0.04 -0.94 -0.15 0.00 0.31 0.00 0.00 61.69 60.87 2glw s THR 51 Cb -0.05 -1.50 0.02 0.00 0.01 0.00 0.00 72.50 70.98 2glw s THR 51 CO -0.07 0.50 0.64 0.72 -0.69 0.00 0.00 174.62 175.72 2glw s PHE 52 N -0.29 0.20 -0.06 4.92 -0.71 -0.91 -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 0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 42.16 2glw s PHE 52 CO 0.01 -1.23 0.00 0.99 -1.34 0.00 0.00 175.22 173.65 2glw s THR 53 N -3.46 4.29 -0.00 -4.49 2.01 -1.26 -2.19 115.64 110.54 2glw s THR 53 Ca 0.18 -0.34 -0.02 0.00 0.31 0.00 0.00 61.69 61.82 2glw s THR 53 Cb -0.04 -2.83 -0.00 0.00 0.01 0.00 0.00 72.50 69.64 2glw s THR 53 CO 0.10 0.54 0.04 0.00 -0.69 0.00 0.00 174.62 174.61 2glw s ALA 54 N -0.94 -0.08 0.10 7.40 0.00 -0.76 -5.01 121.76 122.48 2glw s ALA 54 Ca 0.15 -0.17 -0.10 0.00 0.00 0.00 0.00 51.96 51.84 2glw s ALA 54 Cb -0.11 0.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 2glw s ALA 54 CO 0.05 -0.11 0.42 0.50 0.00 0.00 0.00 175.76 176.62 2glw s ARG 55 N -0.78 3.77 -0.09 0.00 3.52 -1.26 -1.82 118.95 122.28 2glw s ARG 55 Ca -0.09 0.18 -0.30 0.00 -0.13 0.00 0.00 55.73 55.40 2glw s ARG 55 Cb -0.05 -2.95 -0.02 0.00 -1.56 0.00 0.00 34.95 30.37 2glw s ARG 55 CO -0.00 0.52 1.04 0.08 -0.81 0.00 0.00 175.30 176.14 2glw s VAL 56 N -1.46 4.68 0.00 7.11 1.01 -0.64 -4.74 120.40 126.37 2glw s VAL 56 Ca 0.35 1.96 0.00 0.00 0.00 0.00 0.00 61.98 64.29 2glw s VAL 56 Cb -0.14 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.98 2glw s VAL 56 CO 0.19 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.91 2glw n GLY 57 N 3.14 2.48 3.72 4.51 0.00 -0.95 -2.37 105.19 115.73 2glw n GLY 57 Ca 0.09 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.64 2.24 -1.44 1.61 2.12 -1.26 -2.36 118.70 118.97 2glw s GLU 58 Ca 0.00 1.85 0.00 0.00 0.36 0.00 0.00 54.97 57.18 2glw s GLU 58 Cb 0.00 -1.83 0.00 0.00 0.26 0.00 0.00 34.13 32.56 2glw s GLU 58 CO 0.00 -1.78 0.00 1.04 -0.54 0.00 0.00 175.26 173.98 2glw n GLN 59 N -2.50 -1.42 -1.24 4.30 6.02 -1.26 -2.07 117.38 119.21 2glw n GLN 59 Ca 0.14 0.80 -0.06 0.00 -0.01 0.00 0.00 57.00 57.87 2glw n GLN 59 Cb 0.50 -5.11 -0.03 0.00 1.02 0.00 0.00 30.24 26.62 2glw n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2glw n GLY 60 N -0.34 0.81 3.78 1.08 0.00 -0.99 -4.68 105.19 104.85 2glw n GLY 60 Ca -0.14 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 2glw n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2glw s SER 61 N -2.92 7.14 0.02 1.61 0.01 -0.88 -3.01 113.70 115.67 2glw s SER 61 Ca 0.00 1.94 0.01 0.00 1.31 0.00 0.00 55.95 59.20 2glw s SER 61 Cb 0.00 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 2glw s SER 61 CO 0.00 -0.21 -0.04 0.54 0.41 0.00 0.00 173.24 173.94 2glw s VAL 62 N -1.60 0.22 -0.20 3.43 0.11 -0.70 -2.24 120.40 119.42 2glw s VAL 62 Ca 0.52 -0.66 -0.04 0.00 -2.93 0.00 0.00 61.98 58.88 2glw s VAL 62 Cb -0.21 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.34 2glw s VAL 62 CO 0.26 -0.29 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.09 2glw s ILE 63 N -0.95 3.61 0.34 7.04 -1.09 -1.26 -1.75 121.20 127.14 2glw s ILE 63 Ca -0.09 -0.42 -0.26 0.00 -2.23 0.00 0.00 60.65 57.65 2glw s ILE 63 Cb -0.07 -2.63 -0.10 0.00 -1.58 0.00 0.00 42.46 38.09 2glw s ILE 63 CO -0.00 0.43 0.98 -0.63 -1.23 0.00 0.00 174.94 174.50 2glw s ILE 64 N 1.14 4.02 0.24 2.92 1.01 -1.04 -4.92 121.20 124.56 2glw s ILE 64 Ca 0.02 1.67 -0.30 0.00 0.00 0.00 0.00 60.65 62.04 2glw s ILE 64 Cb -0.15 -3.92 -0.10 0.00 0.01 0.00 0.00 42.46 38.30 2glw s ILE 64 CO 0.00 0.13 1.50 -2.16 0.00 0.00 0.00 174.94 174.41 2glw s PRO 65 N -2.11 4.23 0.42 2.79 0.04 -1.26 -4.85 135.00 134.26 2glw s PRO 65 Ca 0.52 2.37 0.14 0.00 0.04 0.00 0.00 61.00 64.07 2glw s PRO 65 Cb -0.21 -3.10 1.02 0.00 0.04 0.00 0.00 34.50 32.25 2glw s PRO 65 CO 0.26 -0.51 1.94 -0.22 0.04 0.00 0.00 177.00 178.52 2glw h LYS 66 N 5.43 0.43 -0.83 4.56 3.64 -1.94 -1.33 116.57 126.53 2glw h LYS 66 Ca -0.45 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 58.93 2glw h LYS 66 Cb 1.21 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.89 2glw h LYS 66 CO 0.81 0.28 0.55 0.00 -2.27 0.00 0.00 179.45 178.82 2glw h ALA 67 N 1.66 1.49 0.02 5.00 0.00 -2.01 -1.86 119.26 123.56 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 0.70 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2glw h ALA 67 CO -0.11 0.43 -0.94 -0.07 0.00 0.00 0.00 179.25 178.56 2glw h LEU 68 N 1.03 0.24 -0.43 0.00 3.38 -1.63 -2.98 115.31 114.92 2glw h LEU 68 Ca 0.33 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2glw h LEU 68 Cb 0.03 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2glw h LEU 68 CO -0.10 1.05 0.23 0.03 0.09 0.00 0.00 178.44 179.74 2glw h ARG 69 N 0.09 0.44 -0.13 1.13 3.08 -1.00 -1.71 114.38 116.26 2glw h ARG 69 Ca -0.05 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 2glw h ARG 69 Cb 1.60 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.55 2glw h ARG 69 CO 0.14 0.29 -0.14 -0.44 -1.07 0.00 0.00 179.97 178.75 2glw h ASP 70 N 0.45 0.35 -0.85 7.04 3.32 -1.48 -1.60 116.42 123.65 2glw h ASP 70 Ca 0.18 -0.49 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 2glw h ASP 70 Cb 0.08 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 2glw h ASP 70 CO -0.12 0.77 0.53 0.58 -1.72 0.00 0.00 179.24 179.28 2glw h VAL 71 N -0.05 1.23 0.00 -1.35 2.07 -1.43 -2.36 116.25 114.36 2glw h VAL 71 Ca 0.02 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2glw h VAL 71 Cb 0.67 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2glw h VAL 71 CO 0.03 0.24 -0.22 0.40 0.02 0.00 0.00 177.57 178.04 2glw h ILE 72 N 1.18 0.00 -1.26 4.57 2.04 -1.30 -3.48 117.51 119.26 2glw h ILE 72 Ca 0.31 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 2glw h ILE 72 Cb -0.08 1.53 0.01 0.00 -0.74 0.00 0.00 36.82 37.55 2glw h ILE 72 CO -0.06 0.00 -0.12 0.61 0.00 0.00 0.00 178.15 178.58 2glw n GLY 73 N 1.25 0.45 3.83 5.37 0.00 -0.64 -4.91 105.19 110.54 2glw n GLY 73 Ca 0.04 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 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 4.86 0.19 -0.61 -1.09 -0.94 -5.06 121.20 115.91 2glw s ILE 74 Ca 0.06 0.92 0.05 0.00 -2.23 0.00 0.00 60.65 59.45 2glw s ILE 74 Cb -0.03 -3.77 -0.05 0.00 -1.58 0.00 0.00 42.46 37.03 2glw s ILE 74 CO 0.07 0.38 -0.07 -1.59 -1.23 0.00 0.00 174.94 172.50 2glw s LYS 75 N -1.59 1.23 0.29 2.79 -2.85 -1.26 -4.88 119.74 113.47 2glw s LYS 75 Ca 0.33 -1.58 -0.30 0.00 -1.00 0.00 0.00 55.97 53.42 2glw s LYS 75 Cb -0.16 -0.73 -0.12 0.00 -2.06 0.00 0.00 37.83 34.76 2glw s LYS 75 CO 0.18 0.03 1.54 -0.35 0.10 0.00 0.00 175.35 176.85 2glw n PRO 76 N -0.33 2.54 -0.36 1.78 -0.04 -1.26 -2.37 135.00 134.97 2glw n PRO 76 Ca -0.08 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 2glw n PRO 76 Cb 0.62 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 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 2.00 0.70 3.73 0.55 0.00 -0.68 -4.96 105.19 106.53 2glw n GLY 77 Ca 0.09 0.00 -0.37 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 -0.63 4.27 -0.12 1.61 2.02 -1.00 -4.87 118.70 119.99 2glw s GLU 78 Ca 0.00 0.21 -0.18 0.00 0.02 0.00 0.00 54.97 55.02 2glw s GLU 78 Cb 0.00 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 2glw s GLU 78 CO 0.00 0.22 0.47 0.54 0.02 0.00 0.00 175.26 176.52 2glw s VAL 79 N 0.48 5.19 0.27 2.63 0.11 -1.26 -2.21 120.40 125.61 2glw s VAL 79 Ca 0.20 0.95 0.12 0.00 -2.93 0.00 0.00 61.98 60.31 2glw s VAL 79 Cb -0.14 -3.81 -0.05 0.00 -1.53 0.00 0.00 36.38 30.85 2glw s VAL 79 CO 0.06 0.32 -0.17 0.27 -3.33 0.00 0.00 175.10 172.25 2glw s ILE 80 N 0.64 2.64 -0.16 7.04 -4.36 -0.14 -4.93 121.20 121.92 2glw s ILE 80 Ca 0.26 -2.28 -0.12 0.00 -0.26 0.00 0.00 60.65 58.25 2glw s ILE 80 Cb -0.15 -2.38 -0.05 0.00 1.25 0.00 0.00 42.46 41.14 2glw s ILE 80 CO 0.10 -0.37 0.22 -0.70 0.24 0.00 0.00 174.94 174.43 2glw s GLU 81 N -3.45 4.11 -0.12 0.37 2.12 -1.08 -2.39 118.70 118.25 2glw s GLU 81 Ca 0.29 -0.03 0.01 0.00 0.36 0.00 0.00 54.97 55.60 2glw s GLU 81 Cb -0.06 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.94 2glw s GLU 81 CO 0.15 0.36 -0.17 0.08 -0.54 0.00 0.00 175.26 175.14 2glw s VAL 82 N 0.15 2.70 -0.12 3.70 1.01 -0.19 -1.88 120.40 125.76 2glw s VAL 82 Ca 0.14 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2glw s VAL 82 Cb -0.12 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 2glw s VAL 82 CO 0.02 0.54 -0.16 -0.76 0.00 0.00 0.00 175.10 174.73 2glw s LEU 83 N 0.37 2.53 0.25 3.92 1.43 -0.28 -2.27 118.68 124.63 2glw s LEU 83 Ca -0.13 -0.39 -0.29 0.00 -1.03 0.00 0.00 54.13 52.28 2glw s LEU 83 Cb -0.17 -1.55 -0.09 0.00 0.03 0.00 0.00 46.19 44.41 2glw s LEU 83 CO 0.06 0.17 0.93 -0.76 0.23 0.00 0.00 176.35 176.98 2glw s LEU 84 N 0.33 4.61 -0.09 1.79 1.43 -0.77 -0.95 118.68 125.02 2glw s LEU 84 Ca -0.13 1.91 0.06 0.00 -1.03 0.00 0.00 54.13 54.94 2glw s LEU 84 Cb -0.16 -3.64 -0.10 0.00 0.03 0.00 0.00 46.19 42.32 2glw s LEU 84 CO 0.07 0.14 -0.01 0.18 0.23 0.00 0.00 176.35 176.95 2glw n LEU 85 N 1.38 0.93 0.00 1.79 4.77 0.80 -1.85 117.00 124.82 2glw n LEU 85 Ca -0.02 -0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 55.92 2glw n LEU 85 Cb 0.47 0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 2glw n LEU 85 CO 0.49 0.36 0.47 0.61 -1.33 0.00 0.00 177.39 178.00 2glw n GLY 86 N 2.62 0.91 3.12 -0.72 0.00 -0.97 -4.74 105.19 105.41 2glw n GLY 86 Ca -0.16 -1.06 -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 -3.77 0.16 0.01 1.61 -3.43 -1.26 -1.28 115.29 107.33 2glw s HIS 87 Ca 0.13 -0.43 -0.02 0.00 -0.80 0.00 0.00 55.06 53.95 2glw s HIS 87 Cb -0.02 -0.12 -0.01 0.00 -1.43 0.00 0.00 32.58 31.01 2glw s HIS 87 CO 0.03 -0.36 0.01 0.71 -2.00 0.00 0.00 174.74 173.13 2glw s TYR 88 N -2.46 0.16 0.17 0.38 2.02 0.16 -4.93 117.35 112.85 2glw s TYR 88 Ca -0.06 -0.33 0.09 0.00 -0.37 0.00 0.00 57.07 56.40 2glw s TYR 88 Cb -0.02 -0.12 -0.04 0.00 -0.40 0.00 0.00 41.96 41.38 2glw s TYR 88 CO -0.04 -0.17 -0.20 -1.59 -1.57 0.00 0.00 175.55 171.98 2glw s LYS 89 N -1.15 1.33 0.37 -0.62 -2.85 -1.26 -2.19 119.74 113.37 2glw s LYS 89 Ca -0.13 -1.43 -0.27 0.00 -1.00 0.00 0.00 55.97 53.14 2glw s LYS 89 Cb -0.08 -1.46 -0.11 0.00 -2.06 0.00 0.00 37.83 34.12 2glw s LYS 89 CO -0.00 0.30 1.30 -2.30 0.10 0.00 0.00 175.35 174.75 2glw n PRO 90 N 0.30 2.12 -2.45 1.78 -0.02 -1.26 -4.95 135.00 130.52 2glw n PRO 90 Ca -0.13 0.74 -0.36 0.00 -2.02 0.00 0.00 63.50 61.73 2glw n PRO 90 Cb 0.57 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 2glw n PRO 90 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2glw s ARG 91 N -2.00 3.97 0.00 -0.52 0.52 -1.26 -5.20 118.95 114.45 2glw s ARG 91 Ca 0.57 1.58 0.14 0.00 -0.52 0.00 0.00 55.73 57.50 2glw s ARG 91 Cb -0.54 -2.42 0.11 0.00 0.52 0.00 0.00 34.95 32.62 2glw s ARG 91 CO 0.61 -0.33 0.96 0.27 0.02 0.00 0.00 175.30 176.83