#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 6.97 -0.02 6.12 1.01 -1.26 -5.06 116.67 124.43 2glw s ASP 2 Ca 0.00 2.06 0.04 0.00 0.71 0.00 0.00 52.55 55.36 2glw s ASP 2 Cb 0.00 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 2glw s ASP 2 CO 0.00 -0.34 -0.15 0.54 0.21 0.00 0.00 175.17 175.42 2glw s VAL 3 N -1.53 1.25 -0.41 -1.27 0.11 -1.26 -4.65 120.40 112.64 2glw s VAL 3 Ca 0.53 -0.65 0.23 0.00 -2.93 0.00 0.00 61.98 59.17 2glw s VAL 3 Cb -0.24 -1.06 0.11 0.00 -1.53 0.00 0.00 36.38 33.66 2glw s VAL 3 CO 0.30 0.36 1.29 -0.07 -3.33 0.00 0.00 175.10 173.65 2glw h LEU 4 N 6.01 0.00 -7.00 2.54 3.38 -1.65 -3.48 115.31 115.10 2glw h LEU 4 Ca -0.34 -0.05 0.18 0.00 0.09 0.00 0.00 57.88 57.76 2glw h LEU 4 Cb 1.16 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.71 2glw h LEU 4 CO 0.48 0.02 0.71 0.00 0.09 0.00 0.00 178.44 179.75 2glw s ALA 5 N -3.27 -2.00 -0.06 1.53 0.00 -1.26 -4.76 121.76 111.95 2glw s ALA 5 Ca 0.03 1.54 -0.00 0.00 0.00 0.00 0.00 51.96 53.53 2glw s ALA 5 Cb 0.09 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.83 2glw s ALA 5 CO 0.73 -0.48 -0.02 0.21 0.00 0.00 0.00 175.76 176.20 2glw s LYS 6 N -1.96 0.75 0.16 0.00 2.20 -1.26 -1.84 119.74 117.78 2glw s LYS 6 Ca 0.06 -0.01 -0.13 0.00 -0.36 0.00 0.00 55.97 55.53 2glw s LYS 6 Cb -0.01 -0.93 0.01 0.00 -1.51 0.00 0.00 37.83 35.39 2glw s LYS 6 CO -0.04 -0.20 0.36 -0.59 -0.36 0.00 0.00 175.35 174.52 2glw s PHE 7 N 1.45 0.12 -0.07 4.03 -0.71 -0.97 -5.01 117.98 116.82 2glw s PHE 7 Ca -0.03 -0.48 0.03 0.00 -1.04 0.00 0.00 56.93 55.41 2glw s PHE 7 Cb -0.13 0.13 -0.02 0.00 -1.21 0.00 0.00 43.02 41.78 2glw s PHE 7 CO -0.03 -0.76 -0.14 -1.01 -1.34 0.00 0.00 175.22 171.95 2glw s HIS 8 N -3.90 2.73 0.14 3.49 3.76 -1.26 -1.00 115.29 119.25 2glw s HIS 8 Ca 0.11 -0.25 -0.13 0.00 -0.15 0.00 0.00 55.06 54.64 2glw s HIS 8 Cb 0.02 -1.67 0.02 0.00 1.11 0.00 0.00 32.58 32.05 2glw s HIS 8 CO -0.04 0.11 0.36 -0.08 -0.85 0.00 0.00 174.74 174.24 2glw s THR 9 N -0.52 0.07 0.27 1.30 -1.32 -1.01 -4.97 115.64 109.46 2glw s THR 9 Ca 0.07 -0.93 0.08 0.00 -1.21 0.00 0.00 61.69 59.70 2glw s THR 9 Cb -0.12 -1.45 -0.04 0.00 -1.51 0.00 0.00 72.50 69.38 2glw s THR 9 CO 0.02 -0.33 0.10 0.28 -2.21 0.00 0.00 174.62 172.47 2glw s THR 10 N -3.87 3.86 0.19 5.08 -1.32 -1.26 -0.95 115.64 117.36 2glw s THR 10 Ca 0.08 -1.67 -0.30 0.00 -1.21 0.00 0.00 61.69 58.60 2glw s THR 10 Cb 0.02 -3.10 -0.08 0.00 -1.51 0.00 0.00 72.50 67.83 2glw s THR 10 CO -0.07 -0.35 0.98 -0.69 -2.21 0.00 0.00 174.62 172.29 2glw s VAL 11 N -2.25 4.16 0.44 5.08 1.01 -0.95 -4.76 120.40 123.12 2glw s VAL 11 Ca 0.33 1.97 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 32.01 2glw s VAL 11 CO 0.22 0.39 0.11 -1.00 0.00 0.00 0.00 175.10 174.82 2glw s HIS 12 N -0.60 2.39 0.66 5.22 3.76 -0.79 -1.71 115.29 124.20 2glw s HIS 12 Ca 0.45 -0.70 -0.17 0.00 -0.15 0.00 0.00 55.06 54.49 2glw s HIS 12 Cb -0.26 -1.84 -0.09 0.00 1.11 0.00 0.00 32.58 31.50 2glw s HIS 12 CO 0.32 0.24 0.20 0.54 -0.85 0.00 0.00 174.74 175.20 2glw n ARG 13 N -1.18 0.23 -0.89 1.40 1.74 -1.26 -1.33 116.66 115.37 2glw n ARG 13 Ca -0.05 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2glw n ARG 13 Cb 0.66 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 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 -2.00 0.00 -1.04 0.55 5.41 -1.26 -2.32 119.36 118.71 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 0.49 -0.76 -0.01 0.00 -0.71 0.00 0.00 39.64 38.66 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 -0.17 0.51 3.81 7.39 0.00 -0.44 -4.81 105.19 111.49 2glw n GLY 15 Ca 0.00 -0.60 -0.36 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 -1.43 4.27 0.09 1.61 3.52 -0.98 -2.54 118.95 123.49 2glw s ARG 16 Ca 0.00 0.90 0.04 0.00 -0.13 0.00 0.00 55.73 56.54 2glw s ARG 16 Cb 0.00 -2.84 -0.03 0.00 -1.56 0.00 0.00 34.95 30.51 2glw s ARG 16 CO 0.00 0.37 -0.10 0.96 -0.81 0.00 0.00 175.30 175.72 2glw s ILE 17 N -1.56 0.90 -0.13 4.11 -4.36 -0.76 -1.89 121.20 117.51 2glw s ILE 17 Ca 0.44 -1.58 0.01 0.00 -0.26 0.00 0.00 60.65 59.26 2glw s ILE 17 Cb -0.16 -1.29 -0.00 0.00 1.25 0.00 0.00 42.46 42.25 2glw s ILE 17 CO 0.21 -0.54 -0.17 -0.63 0.24 0.00 0.00 174.94 174.05 2glw s ILE 18 N -2.34 2.61 0.32 8.37 -1.09 -1.26 -1.72 121.20 126.09 2glw s ILE 18 Ca 0.04 -0.81 -0.26 0.00 -2.23 0.00 0.00 60.65 57.39 2glw s ILE 18 Cb -0.04 -2.08 -0.10 0.00 -1.58 0.00 0.00 42.46 38.67 2glw s ILE 18 CO -0.00 0.53 0.95 -0.63 -1.23 0.00 0.00 174.94 174.56 2glw s ILE 19 N 0.57 4.19 0.45 2.92 1.01 -1.16 -4.98 121.20 124.20 2glw s ILE 19 Ca -0.10 1.83 -0.25 0.00 0.00 0.00 0.00 60.65 62.13 2glw s ILE 19 Cb -0.16 -4.02 -0.08 0.00 0.01 0.00 0.00 42.46 38.21 2glw s ILE 19 CO 0.04 0.16 1.35 -2.16 0.00 0.00 0.00 174.94 174.32 2glw s PRO 20 N -2.02 3.73 0.57 2.79 0.04 -1.26 -4.86 135.00 133.99 2glw s PRO 20 Ca 0.50 2.24 0.27 0.00 0.04 0.00 0.00 61.00 64.05 2glw s PRO 20 Cb -0.19 -2.62 1.61 0.00 0.04 0.00 0.00 34.50 33.34 2glw s PRO 20 CO 0.24 -0.72 2.12 0.00 0.04 0.00 0.00 177.00 178.68 2glw h ALA 21 N 2.32 1.86 -0.40 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 0.10 0.78 0.00 0.00 0.00 179.25 180.48 2glw h GLY 22 N 0.00 0.68 1.30 0.00 0.00 -2.00 -2.21 103.07 100.84 2glw h GLY 22 Ca 0.08 -0.43 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 2glw h GLY 22 CO -0.00 0.40 -0.42 -0.84 0.00 0.00 0.00 176.54 175.68 2glw h THR 23 N 0.50 1.29 -0.96 4.70 2.02 -1.68 -2.66 112.91 116.11 2glw h THR 23 Ca 0.12 -1.60 0.09 0.00 0.77 0.00 0.00 66.41 65.79 2glw h THR 23 Cb 0.31 1.50 -0.07 0.00 -1.74 0.00 0.00 68.15 68.14 2glw h THR 23 CO 0.00 0.52 0.60 0.03 0.37 0.00 0.00 175.52 177.04 2glw h ARG 24 N 0.62 0.99 -0.02 6.66 3.08 -1.34 -1.99 114.38 122.38 2glw h ARG 24 Ca 0.05 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 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 0.66 0.00 -0.22 -1.07 0.00 0.00 179.97 179.43 2glw h LYS 25 N 1.02 0.03 -0.89 0.04 3.64 -1.13 0.15 116.57 119.42 2glw h LYS 25 Ca 0.45 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.89 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 0.26 0.58 0.35 -2.27 0.00 0.00 179.45 178.15 2glw h PHE 26 N -0.22 1.02 0.00 1.91 3.57 -1.12 -2.06 116.94 120.04 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 0.25 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.66 2glw h PHE 26 CO 0.01 0.53 -0.58 0.98 -2.23 0.00 0.00 178.31 177.01 2glw n TYR 27 N -4.49 0.52 -2.61 0.41 4.19 -0.79 -4.97 117.16 109.42 2glw n TYR 27 Ca 0.14 0.15 -0.05 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 39.43 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 0.54 3.70 2.98 0.00 0.39 -5.01 105.19 109.14 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 5.04 0.18 -0.61 1.01 -0.41 -5.04 121.20 118.30 2glw s ILE 29 Ca 0.09 1.38 0.07 0.00 0.00 0.00 0.00 60.65 62.19 2glw s ILE 29 Cb -0.04 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 2glw s ILE 29 CO 0.15 0.21 -0.14 -1.61 0.00 0.00 0.00 174.94 173.56 2glw s GLU 30 N 1.09 1.23 0.33 2.79 2.02 -1.26 -4.87 118.70 120.03 2glw s GLU 30 Ca 0.35 -1.50 -0.29 0.00 0.02 0.00 0.00 54.97 53.56 2glw s GLU 30 Cb -0.17 -1.01 -0.12 0.00 0.10 0.00 0.00 34.13 32.93 2glw s GLU 30 CO 0.16 0.17 1.41 1.04 0.02 0.00 0.00 175.26 178.05 2glw n GLN 31 N -0.16 2.36 0.00 1.61 6.02 -1.26 -2.02 117.38 123.93 2glw n GLN 31 Ca -0.10 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 2glw n GLN 31 Cb 0.60 -2.49 0.00 0.00 1.02 0.00 0.00 30.24 29.36 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 1.09 2.30 3.82 1.08 0.00 -0.99 -5.02 105.19 107.48 2glw n GLY 32 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.62 6.09 -0.08 1.61 1.01 -0.85 -4.80 116.67 118.03 2glw s ASP 33 Ca 0.00 1.67 0.01 0.00 0.71 0.00 0.00 52.55 54.94 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 -0.07 -0.36 0.21 0.00 0.00 175.17 173.99 2glw s PHE 34 N -2.64 2.92 0.11 4.23 0.40 -1.04 -1.57 117.98 120.39 2glw s PHE 34 Ca 0.61 -0.04 0.05 0.00 -0.60 0.00 0.00 56.93 56.95 2glw s PHE 34 Cb -0.13 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.63 2glw s PHE 34 CO 0.38 0.27 -0.13 0.14 0.70 0.00 0.00 175.22 176.59 2glw s VAL 35 N -0.67 1.19 -0.18 -0.44 -7.23 -0.69 -0.54 120.40 111.85 2glw s VAL 35 Ca 0.10 -1.63 -0.01 0.00 -1.81 0.00 0.00 61.98 58.63 2glw s VAL 35 Cb -0.11 -1.41 -0.00 0.00 0.56 0.00 0.00 36.38 35.42 2glw s VAL 35 CO 0.02 -0.42 -0.13 -0.70 -0.31 0.00 0.00 175.10 173.56 2glw s GLU 36 N -2.55 3.24 0.05 4.82 2.12 -0.44 -1.66 118.70 124.27 2glw s GLU 36 Ca 0.06 -0.72 -0.01 0.00 0.36 0.00 0.00 54.97 54.66 2glw s GLU 36 Cb -0.05 -2.73 -0.04 0.00 0.26 0.00 0.00 34.13 31.57 2glw s GLU 36 CO 0.02 -0.06 -0.03 -1.50 -0.54 0.00 0.00 175.26 173.15 2glw s ILE 37 N 1.04 0.22 0.03 -3.70 2.07 -0.86 0.03 121.20 120.03 2glw s ILE 37 Ca -0.01 -1.67 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 -0.03 -0.92 -0.10 -0.75 -1.91 0.00 0.00 174.94 171.23 2glw s LYS 38 N -3.54 0.71 0.13 3.50 2.20 -0.15 -1.98 119.74 120.61 2glw s LYS 38 Ca 0.04 -0.65 0.08 0.00 -0.36 0.00 0.00 55.97 55.08 2glw s LYS 38 Cb 0.05 -0.64 -0.04 0.00 -1.51 0.00 0.00 37.83 35.69 2glw s LYS 38 CO -0.08 0.15 -0.14 0.96 -0.36 0.00 0.00 175.35 175.88 2glw s ILE 39 N -0.88 3.08 -0.04 5.43 -4.36 -0.12 -1.13 121.20 123.18 2glw s ILE 39 Ca -0.02 -1.48 -0.01 0.00 -0.26 0.00 0.00 60.65 58.88 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 0.03 -0.69 0.24 0.00 0.00 174.94 174.58 2glw s VAL 40 N -1.30 0.03 0.03 8.37 1.01 -0.79 -1.87 120.40 125.89 2glw s VAL 40 Ca 0.21 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.46 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 0.16 -0.08 -0.75 0.00 0.00 0.00 175.10 174.55 2glw s LYS 41 N 1.58 0.56 -0.17 2.72 2.47 -0.57 -2.73 119.74 123.59 2glw s LYS 41 Ca -0.02 -0.65 -0.06 0.00 -1.56 0.00 0.00 55.97 53.68 2glw s LYS 41 Cb -0.13 -0.40 -0.03 0.00 -1.46 0.00 0.00 37.83 35.80 2glw s LYS 41 CO -0.03 0.09 0.02 -0.47 0.16 0.00 0.00 175.35 175.11 2glw s TYR 42 N -1.07 3.15 -0.01 4.03 5.04 -1.26 -0.79 117.35 126.44 2glw s TYR 42 Ca -0.06 -0.10 0.01 0.00 -2.44 0.00 0.00 57.07 54.48 2glw s TYR 42 Cb -0.08 -2.02 0.00 0.00 0.35 0.00 0.00 41.96 40.21 2glw s TYR 42 CO 0.00 0.07 -0.02 -1.83 -1.34 0.00 0.00 175.55 172.43 2glw s GLU 43 N 0.37 0.19 7.90 4.97 -1.05 -1.10 -4.97 118.70 125.01 2glw s GLU 43 Ca -0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 54.97 54.77 2glw s GLU 43 Cb -0.13 -0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.33 2glw s GLU 43 CO 0.01 0.01 0.00 0.41 0.95 0.00 0.00 175.26 176.65 2glw n GLY 44 N 3.23 3.75 0.93 -3.83 0.00 -1.26 -2.13 105.19 105.88 2glw n GLY 44 Ca -0.15 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 2.42 -4.48 1.61 0.28 -1.26 -4.97 120.64 128.24 2glw n GLU 45 Ca 0.00 -2.15 -0.21 0.00 -0.16 0.00 0.00 57.16 54.65 2glw n GLU 45 Cb 0.00 -1.40 -0.15 0.00 1.43 0.00 0.00 31.44 31.32 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 -1.13 0.98 0.32 3.44 -1.05 -0.91 -5.13 118.70 115.22 2glw s GLU 46 Ca 0.32 -0.39 -0.27 0.00 -0.15 0.00 0.00 54.97 54.48 2glw s GLU 46 Cb 0.18 -0.93 -0.09 0.00 -0.44 0.00 0.00 34.13 32.85 2glw s GLU 46 CO 0.24 0.21 1.06 -2.14 0.95 0.00 0.00 175.26 175.58 2glw s PRO 47 N -0.12 4.48 -0.05 -4.83 0.02 -1.26 -2.71 135.00 130.52 2glw s PRO 47 Ca 0.02 1.64 0.05 0.00 0.02 0.00 0.00 61.00 62.73 2glw s PRO 47 Cb -0.06 -2.94 -0.02 0.00 0.02 0.00 0.00 34.50 31.50 2glw s PRO 47 CO -0.00 0.11 -0.21 0.15 -0.33 0.00 0.00 177.00 176.72 2glw s LYS 48 N -1.84 2.52 0.20 5.54 -0.14 0.03 -4.95 119.74 121.09 2glw s LYS 48 Ca 0.49 -0.83 0.01 0.00 -1.36 0.00 0.00 55.97 54.29 2glw s LYS 48 Cb -0.27 -2.25 -0.05 0.00 -1.68 0.00 0.00 37.83 33.59 2glw s LYS 48 CO 0.34 0.48 0.04 -1.21 -0.76 0.00 0.00 175.35 174.24 2glw s GLU 49 N -0.39 1.20 -0.26 1.68 2.02 -1.26 -1.52 118.70 120.18 2glw s GLU 49 Ca 0.04 -1.61 -0.20 0.00 0.02 0.00 0.00 54.97 53.22 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 -0.20 0.66 0.20 0.02 0.00 0.00 175.26 175.96 2glw s GLY 50 N -3.21 -0.54 -0.04 -1.39 0.00 -0.78 -4.82 107.32 96.54 2glw s GLY 50 Ca 0.29 2.06 0.06 0.00 0.00 0.00 0.00 44.72 47.13 2glw s GLY 50 CO 0.07 1.92 -0.21 -1.59 0.00 0.00 0.00 173.10 173.29 2glw s THR 51 N 0.90 1.74 0.30 0.90 2.01 -1.26 -0.95 115.64 119.28 2glw s THR 51 Ca -0.04 -0.90 -0.14 0.00 0.31 0.00 0.00 61.69 60.91 2glw s THR 51 Cb -0.05 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 71.01 2glw s THR 51 CO -0.08 0.49 0.62 0.72 -0.69 0.00 0.00 174.62 175.68 2glw s PHE 52 N -0.17 0.26 -0.08 4.92 -0.71 -0.84 -5.01 117.98 116.35 2glw s PHE 52 Ca -0.01 -0.70 -0.01 0.00 -1.04 0.00 0.00 56.93 55.17 2glw s PHE 52 Cb -0.12 0.45 -0.03 0.00 -1.21 0.00 0.00 43.02 42.11 2glw s PHE 52 CO 0.02 -1.22 0.00 0.99 -1.34 0.00 0.00 175.22 173.67 2glw s THR 53 N -3.45 4.30 0.00 -4.49 2.01 -1.26 -2.02 115.64 110.73 2glw s THR 53 Ca 0.19 -0.29 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 2glw s THR 53 Cb -0.03 -2.82 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 2glw s THR 53 CO 0.11 0.58 0.05 0.00 -0.69 0.00 0.00 174.62 174.66 2glw s ALA 54 N -0.91 -0.09 0.09 7.40 0.00 -0.67 -5.00 121.76 122.58 2glw s ALA 54 Ca 0.14 -0.20 -0.11 0.00 0.00 0.00 0.00 51.96 51.79 2glw s ALA 54 Cb -0.11 0.05 -0.06 0.00 0.00 0.00 0.00 23.12 23.00 2glw s ALA 54 CO 0.03 -0.13 0.43 0.50 0.00 0.00 0.00 175.76 176.59 2glw s ARG 55 N -0.92 3.80 -0.09 0.00 3.52 -1.26 -1.70 118.95 122.30 2glw s ARG 55 Ca -0.10 0.23 -0.30 0.00 -0.13 0.00 0.00 55.73 55.43 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 1.02 0.08 -0.81 0.00 0.00 175.30 176.14 2glw s VAL 56 N -1.42 4.73 0.00 7.11 1.01 -0.61 -4.73 120.40 126.50 2glw s VAL 56 Ca 0.34 2.00 0.00 0.00 0.00 0.00 0.00 61.98 64.32 2glw s VAL 56 Cb -0.14 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.96 2glw s VAL 56 CO 0.18 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.91 2glw n GLY 57 N 3.10 2.42 3.72 4.51 0.00 -0.91 -2.35 105.19 115.68 2glw n GLY 57 Ca 0.09 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.77 2.16 -1.50 1.61 2.12 -1.26 -2.34 118.70 118.72 2glw s GLU 58 Ca 0.00 1.83 0.00 0.00 0.36 0.00 0.00 54.97 57.16 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 -1.84 0.00 1.04 -0.54 0.00 0.00 175.26 173.92 2glw n GLN 59 N -2.62 -1.40 -1.26 4.30 6.02 -1.26 -2.14 117.38 119.02 2glw n GLN 59 Ca 0.14 0.83 -0.07 0.00 -0.01 0.00 0.00 57.00 57.89 2glw n GLN 59 Cb 0.50 -5.14 -0.03 0.00 1.02 0.00 0.00 30.24 26.59 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 0.89 3.78 1.08 0.00 -0.99 -4.67 105.19 104.95 2glw n GLY 60 Ca -0.15 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.91 7.20 0.02 1.61 0.15 -0.91 -3.00 113.70 115.86 2glw s SER 61 Ca 0.00 1.90 0.01 0.00 0.70 0.00 0.00 55.95 58.56 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 -0.17 -0.04 0.54 1.20 0.00 0.00 173.24 174.77 2glw s VAL 62 N -1.62 0.23 -0.19 4.45 0.11 -0.70 -2.13 120.40 120.55 2glw s VAL 62 Ca 0.52 -0.60 -0.03 0.00 -2.93 0.00 0.00 61.98 58.93 2glw s VAL 62 Cb -0.20 -0.29 -0.01 0.00 -1.53 0.00 0.00 36.38 34.35 2glw s VAL 62 CO 0.25 -0.24 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.10 2glw s ILE 63 N -0.85 3.48 0.35 7.04 -1.09 -1.26 -1.82 121.20 127.05 2glw s ILE 63 Ca -0.08 -0.48 -0.25 0.00 -2.23 0.00 0.00 60.65 57.62 2glw s ILE 63 Cb -0.06 -2.55 -0.10 0.00 -1.58 0.00 0.00 42.46 38.17 2glw s ILE 63 CO -0.00 0.45 0.99 -0.63 -1.23 0.00 0.00 174.94 174.51 2glw s ILE 64 N 1.05 4.03 0.25 2.92 1.01 -1.05 -4.93 121.20 124.48 2glw s ILE 64 Ca 0.01 1.63 -0.30 0.00 0.00 0.00 0.00 60.65 61.98 2glw s ILE 64 Cb -0.15 -3.88 -0.10 0.00 0.01 0.00 0.00 42.46 38.34 2glw s ILE 64 CO -0.00 0.08 1.49 -2.16 0.00 0.00 0.00 174.94 174.35 2glw s PRO 65 N -2.23 4.23 0.42 2.79 0.04 -1.26 -4.85 135.00 134.14 2glw s PRO 65 Ca 0.53 2.37 0.14 0.00 0.04 0.00 0.00 61.00 64.08 2glw s PRO 65 Cb -0.20 -3.10 1.02 0.00 0.04 0.00 0.00 34.50 32.26 2glw s PRO 65 CO 0.25 -0.49 1.94 -0.22 0.04 0.00 0.00 177.00 178.52 2glw h LYS 66 N 5.20 0.43 -0.81 4.56 3.64 -1.94 -1.27 116.57 126.38 2glw h LYS 66 Ca -0.46 -0.03 0.03 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 32.89 2glw h LYS 66 CO 0.80 0.29 0.53 0.00 -2.27 0.00 0.00 179.45 178.80 2glw h ALA 67 N 1.66 1.50 0.02 5.00 0.00 -2.01 -1.84 119.26 123.58 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 0.42 -0.94 -0.07 0.00 0.00 0.00 179.25 178.55 2glw h LEU 68 N 1.01 0.24 -0.46 0.00 3.38 -1.62 -2.98 115.31 114.89 2glw h LEU 68 Ca 0.32 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.11 2glw h LEU 68 Cb 0.03 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2glw h LEU 68 CO -0.09 1.06 0.24 0.03 0.09 0.00 0.00 178.44 179.76 2glw h ARG 69 N 0.09 0.47 -0.11 1.13 3.08 -0.99 -1.59 114.38 116.46 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 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.55 2glw h ARG 69 CO 0.14 0.31 -0.13 -0.44 -1.07 0.00 0.00 179.97 178.78 2glw h ASP 70 N 0.48 0.30 -0.79 7.04 3.32 -1.50 -1.75 116.42 123.53 2glw h ASP 70 Ca 0.19 -0.50 -0.00 0.00 0.02 0.00 0.00 57.03 56.74 2glw h ASP 70 Cb 0.08 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 2glw h ASP 70 CO -0.12 0.74 0.49 0.58 -1.72 0.00 0.00 179.24 179.21 2glw h VAL 71 N -0.14 1.22 0.00 -1.35 2.07 -1.42 -2.31 116.25 114.32 2glw h VAL 71 Ca 0.01 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2glw h VAL 71 Cb 0.67 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2glw h VAL 71 CO 0.03 0.22 -0.20 0.40 0.02 0.00 0.00 177.57 178.04 2glw h ILE 72 N 1.09 0.00 -1.11 4.57 2.04 -1.29 -3.48 117.51 119.33 2glw h ILE 72 Ca 0.29 -0.81 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 2glw h ILE 72 Cb -0.07 1.70 0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2glw h ILE 72 CO -0.06 0.00 -0.09 0.61 0.00 0.00 0.00 178.15 178.61 2glw n GLY 73 N 1.19 0.48 3.84 5.37 0.00 -0.69 -4.80 105.19 110.58 2glw n GLY 73 Ca 0.04 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 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 4.93 0.18 -0.61 -1.09 -0.98 -5.06 121.20 115.95 2glw s ILE 74 Ca 0.05 0.84 0.05 0.00 -2.23 0.00 0.00 60.65 59.35 2glw s ILE 74 Cb -0.02 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 37.07 2glw s ILE 74 CO 0.06 0.41 -0.08 -1.59 -1.23 0.00 0.00 174.94 172.50 2glw s LYS 75 N -1.53 1.17 0.32 2.79 -2.85 -1.26 -4.88 119.74 113.50 2glw s LYS 75 Ca 0.31 -1.53 -0.29 0.00 -1.00 0.00 0.00 55.97 53.46 2glw s LYS 75 Cb -0.16 -0.70 -0.12 0.00 -2.06 0.00 0.00 37.83 34.79 2glw s LYS 75 CO 0.17 0.05 1.49 -0.35 0.10 0.00 0.00 175.35 176.82 2glw n PRO 76 N -0.28 2.53 -0.29 1.78 -0.04 -1.26 -2.43 135.00 135.01 2glw n PRO 76 Ca -0.09 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 2glw n PRO 76 Cb 0.61 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 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 1.42 0.76 3.73 0.55 0.00 -0.70 -4.95 105.19 106.00 2glw n GLY 77 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.64 4.29 -0.13 1.61 2.02 -1.02 -4.87 118.70 119.96 2glw s GLU 78 Ca 0.00 0.26 -0.18 0.00 0.02 0.00 0.00 54.97 55.07 2glw s GLU 78 Cb 0.00 -3.43 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 2glw s GLU 78 CO 0.00 0.21 0.49 0.54 0.02 0.00 0.00 175.26 176.51 2glw s VAL 79 N 0.52 5.17 0.27 2.63 0.11 -1.26 -2.25 120.40 125.59 2glw s VAL 79 Ca 0.21 0.96 0.11 0.00 -2.93 0.00 0.00 61.98 60.33 2glw s VAL 79 Cb -0.14 -3.82 -0.05 0.00 -1.53 0.00 0.00 36.38 30.84 2glw s VAL 79 CO 0.07 0.30 -0.16 0.27 -3.33 0.00 0.00 175.10 172.25 2glw s ILE 80 N 0.83 2.71 -0.18 7.04 -4.36 -0.13 -4.93 121.20 122.18 2glw s ILE 80 Ca 0.26 -2.25 -0.12 0.00 -0.26 0.00 0.00 60.65 58.27 2glw s ILE 80 Cb -0.15 -2.42 -0.05 0.00 1.25 0.00 0.00 42.46 41.09 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 -3.47 4.23 -0.13 0.37 2.12 -1.11 -2.40 118.70 118.31 2glw s GLU 81 Ca 0.30 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.58 2glw s GLU 81 Cb -0.06 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 2glw s GLU 81 CO 0.16 0.26 -0.15 0.08 -0.54 0.00 0.00 175.26 175.07 2glw s VAL 82 N 0.43 2.87 -0.13 3.70 1.01 -0.17 -1.89 120.40 126.21 2glw s VAL 82 Ca 0.12 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2glw s VAL 82 Cb -0.12 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 2glw s VAL 82 CO 0.01 0.53 -0.15 -0.76 0.00 0.00 0.00 175.10 174.73 2glw s LEU 83 N 0.42 2.55 0.21 3.92 1.43 -0.28 -2.30 118.68 124.63 2glw s LEU 83 Ca -0.11 -0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 2glw s LEU 83 Cb -0.16 -1.57 -0.08 0.00 0.03 0.00 0.00 46.19 44.41 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 0.51 4.60 -0.10 1.79 1.43 -0.77 -0.98 118.68 125.16 2glw s LEU 84 Ca -0.10 1.92 0.08 0.00 -1.03 0.00 0.00 54.13 55.00 2glw s LEU 84 Cb -0.16 -3.60 -0.12 0.00 0.03 0.00 0.00 46.19 42.33 2glw s LEU 84 CO 0.04 0.09 0.02 0.18 0.23 0.00 0.00 176.35 176.91 2glw n LEU 85 N 1.84 0.38 0.00 1.79 4.77 0.10 -1.83 117.00 124.06 2glw n LEU 85 Ca -0.01 -0.01 -0.02 0.00 -0.03 0.00 0.00 56.01 55.94 2glw n LEU 85 Cb 0.47 0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.74 2glw n LEU 85 CO 0.50 0.31 0.60 0.61 -1.33 0.00 0.00 177.39 178.08 2glw n GLY 86 N 2.43 0.80 3.09 -0.72 0.00 -0.98 -4.73 105.19 105.09 2glw n GLY 86 Ca -0.17 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.15 0.15 -0.01 1.61 -3.43 -1.26 -1.33 115.29 107.87 2glw s HIS 87 Ca 0.17 -0.38 0.02 0.00 -0.80 0.00 0.00 55.06 54.07 2glw s HIS 87 Cb -0.02 -0.12 -0.00 0.00 -1.43 0.00 0.00 32.58 31.01 2glw s HIS 87 CO 0.04 -0.31 -0.08 0.71 -2.00 0.00 0.00 174.74 173.10 2glw s TYR 88 N -2.01 0.74 -0.29 0.38 2.02 0.30 -4.94 117.35 113.54 2glw s TYR 88 Ca -0.10 -0.15 -0.01 0.00 -0.37 0.00 0.00 57.07 56.44 2glw s TYR 88 Cb -0.05 -0.49 0.05 0.00 -0.40 0.00 0.00 41.96 41.07 2glw s TYR 88 CO -0.02 -0.03 -0.02 0.15 -1.57 0.00 0.00 175.55 174.06 2glw s LYS 89 N -0.07 2.40 0.52 -0.62 1.02 -1.26 -2.49 119.74 119.24 2glw s LYS 89 Ca 0.01 -1.27 -0.21 0.00 0.02 0.00 0.00 55.97 54.52 2glw s LYS 89 Cb -0.04 -3.12 -0.07 0.00 -0.52 0.00 0.00 37.83 34.07 2glw s LYS 89 CO -0.00 -0.60 1.00 -2.30 -0.92 0.00 0.00 175.35 172.52 2glw n PRO 90 N 4.59 1.16 -4.92 -1.68 -0.02 -1.26 -5.01 135.00 127.86 2glw n PRO 90 Ca -0.13 0.43 -0.27 0.00 -2.02 0.00 0.00 63.50 61.50 2glw n PRO 90 Cb 0.43 -2.14 -0.15 0.00 -0.02 0.00 0.00 33.50 31.62 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 -2.42 1.64 0.00 -0.52 3.52 -1.26 -5.16 118.95 114.75 2glw s ARG 91 Ca 0.69 -0.86 0.00 0.00 -0.13 0.00 0.00 55.73 55.44 2glw s ARG 91 Cb -0.47 -1.66 0.00 0.00 -1.56 0.00 0.00 34.95 31.26 2glw s ARG 91 CO 0.52 0.44 0.00 -1.71 -0.81 0.00 0.00 175.30 173.74