#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 6.81 -0.03 7.83 1.01 -1.26 -5.05 116.67 125.98 2glw s ASP 2 Ca 0.00 2.18 0.04 0.00 0.71 0.00 0.00 52.55 55.48 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 -0.46 -0.15 0.54 0.21 0.00 0.00 175.17 175.31 2glw s VAL 3 N -1.47 1.21 -0.44 -1.27 0.11 -1.26 -4.68 120.40 112.60 2glw s VAL 3 Ca 0.54 -0.62 0.23 0.00 -2.93 0.00 0.00 61.98 59.21 2glw s VAL 3 Cb -0.27 -1.03 0.11 0.00 -1.53 0.00 0.00 36.38 33.65 2glw s VAL 3 CO 0.34 0.35 1.30 -0.07 -3.33 0.00 0.00 175.10 173.69 2glw h LEU 4 N 6.06 0.00 -7.00 2.54 3.38 -1.74 -3.48 115.31 115.07 2glw h LEU 4 Ca -0.34 -0.07 0.15 0.00 0.09 0.00 0.00 57.88 57.71 2glw h LEU 4 Cb 1.17 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.69 2glw h LEU 4 CO 0.48 0.03 0.67 0.00 0.09 0.00 0.00 178.44 179.72 2glw s ALA 5 N -3.25 -1.98 -0.06 1.53 0.00 -1.26 -4.95 121.76 111.78 2glw s ALA 5 Ca 0.04 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.59 2glw s ALA 5 Cb 0.10 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.58 2glw s ALA 5 CO 0.73 -0.38 -0.04 0.21 0.00 0.00 0.00 175.76 176.28 2glw s LYS 6 N -1.52 0.89 0.14 0.00 2.20 -1.26 -1.95 119.74 118.23 2glw s LYS 6 Ca 0.03 -0.07 -0.13 0.00 -0.36 0.00 0.00 55.97 55.44 2glw s LYS 6 Cb -0.01 -1.01 0.01 0.00 -1.51 0.00 0.00 37.83 35.32 2glw s LYS 6 CO -0.03 -0.17 0.35 -0.59 -0.36 0.00 0.00 175.35 174.55 2glw s PHE 7 N 1.36 0.05 -0.06 4.03 -0.71 -0.98 -5.01 117.98 116.66 2glw s PHE 7 Ca -0.04 -0.41 0.03 0.00 -1.04 0.00 0.00 56.93 55.47 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 -0.71 -0.13 -1.01 -1.34 0.00 0.00 175.22 172.00 2glw s HIS 8 N -3.87 2.76 0.14 3.49 3.76 -1.26 -1.00 115.29 119.30 2glw s HIS 8 Ca 0.08 -0.16 -0.12 0.00 -0.15 0.00 0.00 55.06 54.71 2glw s HIS 8 Cb 0.02 -1.66 0.01 0.00 1.11 0.00 0.00 32.58 32.06 2glw s HIS 8 CO -0.07 0.18 0.33 -0.08 -0.85 0.00 0.00 174.74 174.26 2glw s THR 9 N -0.65 0.08 0.23 1.30 -1.32 -1.01 -4.97 115.64 109.29 2glw s THR 9 Ca 0.10 -1.00 0.08 0.00 -1.21 0.00 0.00 61.69 59.66 2glw s THR 9 Cb -0.11 -1.47 -0.04 0.00 -1.51 0.00 0.00 72.50 69.37 2glw s THR 9 CO 0.01 -0.36 0.05 0.28 -2.21 0.00 0.00 174.62 172.39 2glw s THR 10 N -3.88 3.85 0.12 5.08 -1.32 -1.26 -1.12 115.64 117.12 2glw s THR 10 Ca 0.09 -1.58 -0.30 0.00 -1.21 0.00 0.00 61.69 58.69 2glw s THR 10 Cb 0.03 -3.02 -0.06 0.00 -1.51 0.00 0.00 72.50 67.94 2glw s THR 10 CO -0.07 -0.27 0.98 -0.69 -2.21 0.00 0.00 174.62 172.37 2glw s VAL 11 N -2.05 4.39 0.44 5.08 1.01 -0.94 -4.76 120.40 123.57 2glw s VAL 11 Ca 0.30 2.00 0.07 0.00 0.00 0.00 0.00 61.98 64.35 2glw s VAL 11 Cb -0.08 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 2glw s VAL 11 CO 0.21 0.32 0.21 -1.00 0.00 0.00 0.00 175.10 174.83 2glw s HIS 12 N -0.06 2.41 0.66 5.22 3.76 -0.83 -1.60 115.29 124.84 2glw s HIS 12 Ca 0.47 -0.65 -0.17 0.00 -0.15 0.00 0.00 55.06 54.56 2glw s HIS 12 Cb -0.24 -1.94 -0.09 0.00 1.11 0.00 0.00 32.58 31.42 2glw s HIS 12 CO 0.31 0.08 0.20 0.54 -0.85 0.00 0.00 174.74 175.01 2glw n ARG 13 N -1.33 0.23 -0.89 1.40 1.74 -1.26 -1.29 116.66 115.26 2glw n ARG 13 Ca -0.02 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2glw n ARG 13 Cb 0.65 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 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 -1.99 0.00 -1.05 0.55 5.41 -1.26 -2.35 119.36 118.67 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 -0.19 0.52 3.80 7.39 0.00 -0.41 -4.80 105.19 111.51 2glw n GLY 15 Ca 0.00 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.45 4.33 0.11 1.61 3.52 -0.99 -2.51 118.95 123.58 2glw s ARG 16 Ca 0.00 0.94 0.03 0.00 -0.13 0.00 0.00 55.73 56.57 2glw s ARG 16 Cb 0.00 -3.01 -0.04 0.00 -1.56 0.00 0.00 34.95 30.34 2glw s ARG 16 CO 0.00 0.46 -0.09 0.96 -0.81 0.00 0.00 175.30 175.82 2glw s ILE 17 N -1.39 0.96 -0.12 4.11 -4.36 -0.72 -1.97 121.20 117.70 2glw s ILE 17 Ca 0.40 -1.83 0.02 0.00 -0.26 0.00 0.00 60.65 58.98 2glw s ILE 17 Cb -0.19 -1.57 -0.01 0.00 1.25 0.00 0.00 42.46 41.94 2glw s ILE 17 CO 0.22 -0.68 -0.18 -0.63 0.24 0.00 0.00 174.94 173.90 2glw s ILE 18 N -2.96 2.55 0.37 8.37 -1.09 -1.26 -1.53 121.20 125.65 2glw s ILE 18 Ca 0.10 -0.84 -0.24 0.00 -2.23 0.00 0.00 60.65 57.45 2glw s ILE 18 Cb 0.01 -2.03 -0.10 0.00 -1.58 0.00 0.00 42.46 38.75 2glw s ILE 18 CO -0.01 0.54 0.95 -0.63 -1.23 0.00 0.00 174.94 174.56 2glw s ILE 19 N 0.39 4.29 0.44 2.92 1.01 -1.18 -4.97 121.20 124.10 2glw s ILE 19 Ca -0.14 1.67 -0.25 0.00 0.00 0.00 0.00 60.65 61.92 2glw s ILE 19 Cb -0.17 -3.82 -0.08 0.00 0.01 0.00 0.00 42.46 38.40 2glw s ILE 19 CO 0.07 -0.07 1.36 -2.16 0.00 0.00 0.00 174.94 174.13 2glw s PRO 20 N -2.58 3.76 0.57 2.79 0.04 -1.26 -4.87 135.00 133.45 2glw s PRO 20 Ca 0.56 2.27 0.27 0.00 0.04 0.00 0.00 61.00 64.14 2glw s PRO 20 Cb -0.14 -2.66 1.63 0.00 0.04 0.00 0.00 34.50 33.37 2glw s PRO 20 CO 0.19 -0.70 2.14 0.00 0.04 0.00 0.00 177.00 178.67 2glw h ALA 21 N 2.39 1.81 -0.44 8.56 0.00 -1.95 -1.93 119.26 127.70 2glw h ALA 21 Ca -0.50 -0.00 -0.05 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 -0.20 0.10 0.78 0.00 0.00 0.00 179.25 180.54 2glw h GLY 22 N 0.00 0.77 1.20 0.00 0.00 -2.00 -2.08 103.07 100.97 2glw h GLY 22 Ca 0.06 -0.49 -0.15 0.00 0.00 0.00 0.00 47.33 46.74 2glw h GLY 22 CO -0.00 0.46 -0.39 -0.84 0.00 0.00 0.00 176.54 175.77 2glw h THR 23 N 0.59 1.28 -0.80 4.70 2.02 -1.72 -2.38 112.91 116.60 2glw h THR 23 Ca 0.14 -1.56 0.07 0.00 0.77 0.00 0.00 66.41 65.83 2glw h THR 23 Cb 0.34 1.40 -0.06 0.00 -1.74 0.00 0.00 68.15 68.09 2glw h THR 23 CO 0.00 0.52 0.47 0.03 0.37 0.00 0.00 175.52 176.91 2glw h ARG 24 N 0.71 0.82 0.02 6.66 3.08 -1.35 -0.93 114.38 123.38 2glw h ARG 24 Ca 0.06 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2glw h ARG 24 Cb 0.96 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2glw h ARG 24 CO 0.09 0.54 -0.01 -0.22 -1.07 0.00 0.00 179.97 179.30 2glw h LYS 25 N 0.84 -0.02 -0.69 0.04 3.64 -1.19 -0.55 116.57 118.64 2glw h LYS 25 Ca 0.36 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.79 2glw h LYS 25 Cb 0.23 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 2glw h LYS 25 CO -0.20 0.35 0.46 0.35 -2.27 0.00 0.00 179.45 178.14 2glw h PHE 26 N -0.39 0.76 0.00 1.91 3.57 -1.21 -2.36 116.94 119.22 2glw h PHE 26 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2glw h PHE 26 Cb 0.38 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.87 2glw h PHE 26 CO 0.05 0.42 -0.48 0.98 -2.23 0.00 0.00 178.31 177.05 2glw n TYR 27 N -4.47 0.56 -2.76 0.41 4.19 -0.37 -4.96 117.16 109.75 2glw n TYR 27 Ca 0.10 0.16 -0.06 0.00 3.31 0.00 0.00 57.90 61.41 2glw n TYR 27 Cb 0.19 -0.67 0.02 0.00 0.49 0.00 0.00 39.34 39.37 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 0.60 3.75 2.98 0.00 -0.29 -5.01 105.19 108.57 2glw n GLY 28 Ca 0.04 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 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 5.18 0.20 -0.61 1.01 -0.76 -5.06 121.20 118.09 2glw s ILE 29 Ca 0.14 0.83 0.06 0.00 0.00 0.00 0.00 60.65 61.68 2glw s ILE 29 Cb -0.06 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 2glw s ILE 29 CO 0.17 0.40 -0.09 -1.61 0.00 0.00 0.00 174.94 173.81 2glw s GLU 30 N 0.19 1.26 0.34 2.79 2.02 -1.26 -4.87 118.70 119.17 2glw s GLU 30 Ca 0.23 -1.58 -0.29 0.00 0.02 0.00 0.00 54.97 53.36 2glw s GLU 30 Cb -0.15 -0.85 -0.12 0.00 0.10 0.00 0.00 34.13 33.11 2glw s GLU 30 CO 0.09 0.07 1.42 1.04 0.02 0.00 0.00 175.26 177.91 2glw n GLN 31 N -0.35 2.42 0.00 1.61 6.02 -1.26 -2.01 117.38 123.81 2glw n GLN 31 Ca -0.08 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.76 2glw n GLN 31 Cb 0.61 -2.53 0.00 0.00 1.02 0.00 0.00 30.24 29.35 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 1.00 2.38 3.85 1.08 0.00 -0.96 -5.00 105.19 107.53 2glw n GLY 32 Ca 0.05 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 -1.60 5.65 -0.06 1.61 1.01 -0.85 -4.83 116.67 117.59 2glw s ASP 33 Ca 0.00 1.46 0.02 0.00 0.71 0.00 0.00 52.55 54.74 2glw s ASP 33 Cb 0.00 -2.39 -0.03 0.00 1.01 0.00 0.00 42.92 41.52 2glw s ASP 33 CO 0.00 -1.25 -0.11 -0.36 0.21 0.00 0.00 175.17 173.66 2glw s PHE 34 N -3.14 2.80 0.13 4.23 0.08 -0.96 -1.75 117.98 119.37 2glw s PHE 34 Ca 0.57 -0.12 0.05 0.00 0.12 0.00 0.00 56.93 57.56 2glw s PHE 34 Cb -0.13 -1.68 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 2glw s PHE 34 CO 0.54 0.22 -0.13 0.14 -0.10 0.00 0.00 175.22 175.89 2glw s VAL 35 N -0.68 1.26 -0.16 -0.44 -7.23 -0.71 -0.66 120.40 111.78 2glw s VAL 35 Ca 0.10 -1.78 0.01 0.00 -1.81 0.00 0.00 61.98 58.51 2glw s VAL 35 Cb -0.11 -1.57 0.01 0.00 0.56 0.00 0.00 36.38 35.27 2glw s VAL 35 CO 0.01 -0.50 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.41 2glw s GLU 36 N -2.90 3.08 0.05 4.82 2.12 -0.10 -1.74 118.70 124.02 2glw s GLU 36 Ca 0.10 -0.81 -0.01 0.00 0.36 0.00 0.00 54.97 54.60 2glw s GLU 36 Cb -0.03 -2.54 -0.04 0.00 0.26 0.00 0.00 34.13 31.79 2glw s GLU 36 CO 0.02 -0.06 -0.02 -1.50 -0.54 0.00 0.00 175.26 173.17 2glw s ILE 37 N 0.94 0.20 0.03 -3.70 2.07 -0.94 -0.22 121.20 119.59 2glw s ILE 37 Ca -0.03 -1.65 0.03 0.00 -1.41 0.00 0.00 60.65 57.59 2glw s ILE 37 Cb -0.15 -1.33 -0.02 0.00 0.13 0.00 0.00 42.46 41.09 2glw s ILE 37 CO -0.04 -0.91 -0.11 -0.75 -1.91 0.00 0.00 174.94 171.22 2glw s LYS 38 N -3.56 0.72 0.13 3.50 2.20 -0.07 -2.09 119.74 120.56 2glw s LYS 38 Ca 0.04 -0.66 0.08 0.00 -0.36 0.00 0.00 55.97 55.07 2glw s LYS 38 Cb 0.05 -0.65 -0.04 0.00 -1.51 0.00 0.00 37.83 35.68 2glw s LYS 38 CO -0.09 0.15 -0.14 0.96 -0.36 0.00 0.00 175.35 175.88 2glw s ILE 39 N -0.89 3.08 -0.04 5.43 -4.36 -0.15 -1.14 121.20 123.14 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 -2.45 0.03 0.00 1.25 0.00 0.00 42.46 41.21 2glw s ILE 39 CO 0.01 0.05 0.02 -0.69 0.24 0.00 0.00 174.94 174.58 2glw s VAL 40 N -1.30 0.09 0.03 8.37 1.01 -0.75 -2.10 120.40 125.75 2glw s VAL 40 Ca 0.21 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.44 2glw s VAL 40 Cb -0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 2glw s VAL 40 CO 0.12 0.17 -0.10 -0.75 0.00 0.00 0.00 175.10 174.54 2glw s LYS 41 N 1.59 0.73 -0.18 2.72 2.20 -0.71 -2.66 119.74 123.42 2glw s LYS 41 Ca -0.02 -0.60 -0.08 0.00 -0.36 0.00 0.00 55.97 54.91 2glw s LYS 41 Cb -0.13 -0.67 -0.04 0.00 -1.51 0.00 0.00 37.83 35.48 2glw s LYS 41 CO -0.03 0.17 0.07 -0.47 -0.36 0.00 0.00 175.35 174.73 2glw s TYR 42 N -0.75 3.28 -0.05 4.03 5.04 -1.26 -0.86 117.35 126.77 2glw s TYR 42 Ca -0.01 0.11 0.02 0.00 -2.44 0.00 0.00 57.07 54.75 2glw s TYR 42 Cb -0.07 -2.09 0.02 0.00 0.35 0.00 0.00 41.96 40.17 2glw s TYR 42 CO 0.01 0.18 -0.08 -1.21 -1.34 0.00 0.00 175.55 173.10 2glw s GLU 43 N 0.36 1.23 7.92 4.97 2.02 -1.06 -4.96 118.70 129.16 2glw s GLU 43 Ca 0.04 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 54.78 2glw s GLU 43 Cb -0.12 -1.10 0.00 0.00 0.10 0.00 0.00 34.13 33.01 2glw s GLU 43 CO -0.00 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.65 2glw n GLY 44 N 3.95 3.74 1.19 -1.39 0.00 -1.26 -1.81 105.19 109.62 2glw n GLY 44 Ca -0.24 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 45.81 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 3.28 -4.36 1.61 0.28 -1.26 -4.95 120.64 129.24 2glw n GLU 45 Ca 0.00 -2.64 -0.23 0.00 -0.16 0.00 0.00 57.16 54.13 2glw n GLU 45 Cb 0.00 -1.69 -0.17 0.00 1.43 0.00 0.00 31.44 31.02 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 -1.70 1.33 0.27 3.44 -1.05 -0.75 -5.13 118.70 115.10 2glw s GLU 46 Ca 0.42 -0.27 -0.30 0.00 -0.15 0.00 0.00 54.97 54.67 2glw s GLU 46 Cb 0.27 -1.18 -0.09 0.00 -0.44 0.00 0.00 34.13 32.68 2glw s GLU 46 CO 0.20 -0.04 1.08 -2.14 0.95 0.00 0.00 175.26 175.31 2glw s PRO 47 N 0.85 4.67 -0.09 -4.83 0.02 -1.26 -2.57 135.00 131.78 2glw s PRO 47 Ca -0.12 1.76 -0.00 0.00 0.02 0.00 0.00 61.00 62.66 2glw s PRO 47 Cb -0.15 -3.21 -0.03 0.00 0.02 0.00 0.00 34.50 31.14 2glw s PRO 47 CO 0.01 0.24 -0.07 0.15 -0.33 0.00 0.00 177.00 177.01 2glw s LYS 48 N -1.34 2.96 0.15 5.54 -0.14 -0.04 -4.95 119.74 121.93 2glw s LYS 48 Ca 0.44 -0.55 0.02 0.00 -1.36 0.00 0.00 55.97 54.53 2glw s LYS 48 Cb -0.31 -2.66 -0.04 0.00 -1.68 0.00 0.00 37.83 33.14 2glw s LYS 48 CO 0.39 0.56 -0.03 -1.21 -0.76 0.00 0.00 175.35 174.30 2glw s GLU 49 N -0.52 1.02 -0.26 1.68 2.02 -1.26 -1.74 118.70 119.64 2glw s GLU 49 Ca 0.08 -1.46 -0.20 0.00 0.02 0.00 0.00 54.97 53.40 2glw s GLU 49 Cb -0.12 -0.30 0.07 0.00 0.10 0.00 0.00 34.13 33.88 2glw s GLU 49 CO 0.02 -0.07 0.67 0.20 0.02 0.00 0.00 175.26 176.10 2glw s GLY 50 N -3.13 -0.55 -0.03 -1.39 0.00 -0.89 -4.86 107.32 96.47 2glw s GLY 50 Ca 0.19 2.08 0.06 0.00 0.00 0.00 0.00 44.72 47.05 2glw s GLY 50 CO 0.01 1.92 -0.20 -1.59 0.00 0.00 0.00 173.10 173.24 2glw s THR 51 N 0.87 1.63 0.31 0.90 2.01 -1.26 -0.98 115.64 119.12 2glw s THR 51 Ca -0.04 -0.86 -0.15 0.00 0.31 0.00 0.00 61.69 60.95 2glw s THR 51 Cb -0.05 -1.37 0.02 0.00 0.01 0.00 0.00 72.50 71.11 2glw s THR 51 CO -0.07 0.46 0.63 0.72 -0.69 0.00 0.00 174.62 175.67 2glw s PHE 52 N -0.30 0.22 -0.05 4.92 -0.71 -0.89 -5.02 117.98 116.16 2glw s PHE 52 Ca 0.03 -0.68 -0.01 0.00 -1.04 0.00 0.00 56.93 55.23 2glw s PHE 52 Cb -0.10 0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 42.16 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 -3.41 4.31 0.00 -4.49 2.01 -1.26 -2.20 115.64 110.61 2glw s THR 53 Ca 0.18 -0.37 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 2glw s THR 53 Cb -0.03 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.60 2glw s THR 53 CO 0.11 0.51 0.02 0.00 -0.69 0.00 0.00 174.62 174.56 2glw s ALA 54 N -0.98 -0.02 0.10 7.40 0.00 -0.71 -5.01 121.76 122.54 2glw s ALA 54 Ca 0.16 -0.26 -0.10 0.00 0.00 0.00 0.00 51.96 51.77 2glw s ALA 54 Cb -0.11 0.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.01 2glw s ALA 54 CO 0.06 -0.11 0.42 0.50 0.00 0.00 0.00 175.76 176.63 2glw s ARG 55 N -0.88 3.77 -0.11 0.00 3.52 -1.26 -1.73 118.95 122.25 2glw s ARG 55 Ca -0.10 0.19 -0.30 0.00 -0.13 0.00 0.00 55.73 55.39 2glw s ARG 55 Cb -0.06 -2.95 -0.01 0.00 -1.56 0.00 0.00 34.95 30.37 2glw s ARG 55 CO -0.00 0.52 1.05 0.08 -0.81 0.00 0.00 175.30 176.14 2glw s VAL 56 N -1.46 4.66 0.00 7.11 1.01 -0.72 -4.73 120.40 126.27 2glw s VAL 56 Ca 0.35 1.94 0.00 0.00 0.00 0.00 0.00 61.98 64.28 2glw s VAL 56 Cb -0.14 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 31.99 2glw s VAL 56 CO 0.19 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.89 2glw n GLY 57 N 3.18 2.62 3.72 4.51 0.00 -0.96 -2.26 105.19 116.00 2glw n GLY 57 Ca 0.10 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.41 2.24 -1.47 1.61 2.12 -1.26 -2.35 118.70 119.17 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 -1.40 -1.24 4.30 6.02 -1.26 -2.14 117.38 119.16 2glw n GLN 59 Ca 0.14 0.82 -0.07 0.00 -0.01 0.00 0.00 57.00 57.89 2glw n GLN 59 Cb 0.50 -5.12 -0.03 0.00 1.02 0.00 0.00 30.24 26.61 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 -0.33 0.86 3.80 1.08 0.00 -0.99 -4.71 105.19 104.90 2glw n GLY 60 Ca -0.14 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.92 6.85 0.02 1.61 1.04 -0.91 -3.09 113.70 116.30 2glw s SER 61 Ca 0.00 1.84 0.01 0.00 0.48 0.00 0.00 55.95 58.27 2glw s SER 61 Cb 0.00 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.55 2glw s SER 61 CO 0.00 -0.42 -0.03 0.54 0.98 0.00 0.00 173.24 174.30 2glw s VAL 62 N -1.93 0.20 -0.20 5.02 0.11 -0.58 -2.26 120.40 120.75 2glw s VAL 62 Ca 0.60 -0.60 -0.04 0.00 -2.93 0.00 0.00 61.98 59.01 2glw s VAL 62 Cb -0.15 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 2glw s VAL 62 CO 0.19 -0.26 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.04 2glw s ILE 63 N -0.87 3.57 0.34 7.04 -1.09 -1.26 -1.76 121.20 127.16 2glw s ILE 63 Ca -0.08 -0.44 -0.26 0.00 -2.23 0.00 0.00 60.65 57.64 2glw s ILE 63 Cb -0.06 -2.61 -0.10 0.00 -1.58 0.00 0.00 42.46 38.11 2glw s ILE 63 CO -0.00 0.43 0.98 -0.63 -1.23 0.00 0.00 174.94 174.49 2glw s ILE 64 N 1.19 4.04 0.23 2.92 1.01 -1.04 -4.92 121.20 124.63 2glw s ILE 64 Ca 0.03 1.67 -0.31 0.00 0.00 0.00 0.00 60.65 62.04 2glw s ILE 64 Cb -0.14 -3.91 -0.10 0.00 0.01 0.00 0.00 42.46 38.31 2glw s ILE 64 CO -0.00 0.11 1.51 -2.16 0.00 0.00 0.00 174.94 174.40 2glw s PRO 65 N -2.15 4.23 0.42 2.79 0.04 -1.26 -4.84 135.00 134.23 2glw s PRO 65 Ca 0.52 2.36 0.14 0.00 0.04 0.00 0.00 61.00 64.07 2glw s PRO 65 Cb -0.20 -3.11 1.02 0.00 0.04 0.00 0.00 34.50 32.25 2glw s PRO 65 CO 0.26 -0.52 1.94 -0.22 0.04 0.00 0.00 177.00 178.50 2glw h LYS 66 N 5.63 0.43 -0.82 4.56 3.64 -1.94 -1.29 116.57 126.78 2glw h LYS 66 Ca -0.45 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 58.94 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 0.83 0.28 0.54 0.00 -2.27 0.00 0.00 179.45 178.83 2glw h ALA 67 N 1.66 1.50 0.02 5.00 0.00 -2.01 -1.72 119.26 123.71 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 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2glw h ALA 67 CO -0.10 0.41 -0.94 -0.07 0.00 0.00 0.00 179.25 178.55 2glw h LEU 68 N 1.01 0.25 -0.52 0.00 3.38 -1.62 -3.03 115.31 114.78 2glw h LEU 68 Ca 0.33 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.12 2glw h LEU 68 Cb 0.05 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2glw h LEU 68 CO -0.10 1.05 0.28 0.03 0.09 0.00 0.00 178.44 179.80 2glw h ARG 69 N 0.09 0.53 -0.10 1.13 3.08 -0.96 -1.76 114.38 116.39 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 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.53 2glw h ARG 69 CO 0.14 0.35 -0.12 -0.44 -1.07 0.00 0.00 179.97 178.83 2glw h ASP 70 N 0.55 0.29 -0.80 7.04 3.32 -1.48 -1.54 116.42 123.80 2glw h ASP 70 Ca 0.22 -0.50 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 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 -0.14 0.73 0.50 0.58 -1.72 0.00 0.00 179.24 179.19 2glw h VAL 71 N -0.15 1.22 0.00 -1.35 2.07 -1.43 -2.31 116.25 114.30 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 0.07 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 1.10 0.00 -1.01 4.57 2.04 -1.32 -3.48 117.51 119.42 2glw h ILE 72 Ca 0.29 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 2glw h ILE 72 Cb -0.07 1.63 0.01 0.00 -0.74 0.00 0.00 36.82 37.65 2glw h ILE 72 CO -0.06 0.00 -0.07 0.61 0.00 0.00 0.00 178.15 178.63 2glw n GLY 73 N 1.21 0.54 3.83 5.37 0.00 -0.63 -4.85 105.19 110.66 2glw n GLY 73 Ca 0.04 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.61 4.78 0.15 -0.61 -1.09 -0.92 -5.06 121.20 115.84 2glw s ILE 74 Ca 0.04 1.04 0.06 0.00 -2.23 0.00 0.00 60.65 59.55 2glw s ILE 74 Cb -0.02 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 2glw s ILE 74 CO 0.05 0.38 -0.13 -0.54 -1.23 0.00 0.00 174.94 173.46 2glw s LYS 75 N -1.59 1.12 0.23 2.79 1.02 -1.26 -4.89 119.74 117.16 2glw s LYS 75 Ca 0.34 -1.39 -0.32 0.00 0.02 0.00 0.00 55.97 54.63 2glw s LYS 75 Cb -0.17 -0.90 -0.13 0.00 -0.52 0.00 0.00 37.83 36.11 2glw s LYS 75 CO 0.19 0.15 1.45 -2.30 -0.92 0.00 0.00 175.35 173.93 2glw n PRO 76 N 0.09 2.12 -0.40 -1.68 -0.02 -1.26 -2.23 135.00 131.62 2glw n PRO 76 Ca -0.12 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2glw n PRO 76 Cb 0.59 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 2.37 0.70 3.79 -1.23 0.00 -0.62 -4.96 105.19 105.23 2glw n GLY 77 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.60 3.96 -0.08 1.61 2.02 -0.95 -4.88 118.70 119.79 2glw s GLU 78 Ca 0.00 0.02 -0.18 0.00 0.02 0.00 0.00 54.97 54.84 2glw s GLU 78 Cb 0.00 -3.33 -0.05 0.00 0.10 0.00 0.00 34.13 30.86 2glw s GLU 78 CO 0.00 0.47 0.47 0.54 0.02 0.00 0.00 175.26 176.76 2glw s VAL 79 N -0.22 5.12 0.25 2.63 0.11 -1.26 -2.21 120.40 124.83 2glw s VAL 79 Ca 0.16 0.95 0.11 0.00 -2.93 0.00 0.00 61.98 60.26 2glw s VAL 79 Cb -0.13 -3.80 -0.05 0.00 -1.53 0.00 0.00 36.38 30.87 2glw s VAL 79 CO 0.04 0.40 -0.19 0.27 -3.33 0.00 0.00 175.10 172.29 2glw s ILE 80 N 0.14 2.26 -0.16 7.04 -4.36 -0.27 -4.93 121.20 120.91 2glw s ILE 80 Ca 0.26 -2.32 -0.12 0.00 -0.26 0.00 0.00 60.65 58.21 2glw s ILE 80 Cb -0.16 -2.21 -0.05 0.00 1.25 0.00 0.00 42.46 41.30 2glw s ILE 80 CO 0.12 -0.43 0.23 -0.70 0.24 0.00 0.00 174.94 174.39 2glw s GLU 81 N -3.47 4.13 -0.12 0.37 2.12 -1.09 -2.42 118.70 118.23 2glw s GLU 81 Ca 0.27 -0.02 0.01 0.00 0.36 0.00 0.00 54.97 55.59 2glw s GLU 81 Cb -0.04 -3.39 -0.01 0.00 0.26 0.00 0.00 34.13 30.95 2glw s GLU 81 CO 0.12 0.34 -0.16 0.08 -0.54 0.00 0.00 175.26 175.10 2glw s VAL 82 N 0.20 2.77 -0.11 3.70 1.01 -0.17 -1.81 120.40 125.98 2glw s VAL 82 Ca 0.14 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.37 2glw s VAL 82 Cb -0.12 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 2glw s VAL 82 CO 0.02 0.54 -0.18 -0.76 0.00 0.00 0.00 175.10 174.72 2glw s LEU 83 N 0.32 2.46 0.27 3.92 1.43 -0.29 -2.32 118.68 124.46 2glw s LEU 83 Ca -0.13 -0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 52.28 2glw s LEU 83 Cb -0.16 -1.52 -0.09 0.00 0.03 0.00 0.00 46.19 44.44 2glw s LEU 83 CO 0.07 0.18 0.93 -0.76 0.23 0.00 0.00 176.35 177.00 2glw s LEU 84 N 0.24 4.53 -0.09 1.79 1.43 -0.82 -0.90 118.68 124.86 2glw s LEU 84 Ca -0.12 1.89 0.06 0.00 -1.03 0.00 0.00 54.13 54.93 2glw s LEU 84 Cb -0.16 -3.74 -0.10 0.00 0.03 0.00 0.00 46.19 42.22 2glw s LEU 84 CO 0.06 0.08 -0.00 0.18 0.23 0.00 0.00 176.35 176.90 2glw n LEU 85 N 1.16 0.75 0.00 1.79 4.77 0.69 -2.19 117.00 123.98 2glw n LEU 85 Ca -0.01 -0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 55.93 2glw n LEU 85 Cb 0.48 0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.65 2glw n LEU 85 CO 0.48 0.33 0.69 0.61 -1.33 0.00 0.00 177.39 178.17 2glw n GLY 86 N 2.59 0.69 3.22 -0.72 0.00 -0.98 -4.78 105.19 105.22 2glw n GLY 86 Ca -0.15 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.70 -0.12 -0.01 1.61 -3.43 -1.26 -0.93 115.29 108.44 2glw s HIS 87 Ca 0.20 0.12 0.03 0.00 -0.80 0.00 0.00 55.06 54.60 2glw s HIS 87 Cb -0.02 0.07 -0.00 0.00 -1.43 0.00 0.00 32.58 31.19 2glw s HIS 87 CO 0.04 -0.40 -0.09 0.71 -2.00 0.00 0.00 174.74 173.01 2glw s TYR 88 N -1.65 0.80 0.11 0.38 2.02 0.16 -4.96 117.35 114.21 2glw s TYR 88 Ca -0.12 -0.16 0.09 0.00 -0.37 0.00 0.00 57.07 56.52 2glw s TYR 88 Cb -0.04 -0.53 -0.04 0.00 -0.40 0.00 0.00 41.96 40.95 2glw s TYR 88 CO 0.02 -0.03 -0.23 0.21 -1.57 0.00 0.00 175.55 173.95 2glw s LYS 89 N -0.12 1.24 0.58 -0.62 2.20 -1.26 -2.27 119.74 119.48 2glw s LYS 89 Ca 0.02 -1.23 -0.19 0.00 -0.36 0.00 0.00 55.97 54.20 2glw s LYS 89 Cb -0.04 -1.59 -0.05 0.00 -1.51 0.00 0.00 37.83 34.63 2glw s LYS 89 CO -0.00 0.37 1.08 -2.30 -0.36 0.00 0.00 175.35 174.14 2glw n PRO 90 N 1.03 1.10 -5.08 4.03 -0.02 -1.26 -5.02 135.00 129.78 2glw n PRO 90 Ca -0.19 0.42 -0.29 0.00 -2.02 0.00 0.00 63.50 61.42 2glw n PRO 90 Cb 0.53 -2.27 -0.15 0.00 -0.02 0.00 0.00 33.50 31.59 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 -2.78 1.84 0.00 -0.52 3.52 -1.26 -5.21 118.95 114.54 2glw s ARG 91 Ca 0.75 -0.89 0.00 0.00 -0.13 0.00 0.00 55.73 55.46 2glw s ARG 91 Cb -0.43 -1.83 0.00 0.00 -1.56 0.00 0.00 34.95 31.14 2glw s ARG 91 CO 0.47 0.49 0.42 -1.71 -0.81 0.00 0.00 175.30 174.17