#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 7.39 -0.03 7.83 1.01 -1.26 -5.06 116.67 126.55 2glw s ASP 2 Ca 0.00 2.06 0.04 0.00 0.71 0.00 0.00 52.55 55.35 2glw s ASP 2 Cb 0.00 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.32 2glw s ASP 2 CO 0.00 -0.04 -0.13 0.54 0.21 0.00 0.00 175.17 175.75 2glw s VAL 3 N -1.28 1.12 -0.35 -1.27 0.11 -1.26 -4.67 120.40 112.81 2glw s VAL 3 Ca 0.45 -0.55 0.22 0.00 -2.93 0.00 0.00 61.98 59.17 2glw s VAL 3 Cb -0.27 -0.98 0.21 0.00 -1.53 0.00 0.00 36.38 33.81 2glw s VAL 3 CO 0.34 0.33 1.42 -0.07 -3.33 0.00 0.00 175.10 173.79 2glw h LEU 4 N 6.28 0.00 -7.00 2.54 3.38 -1.77 -3.48 115.31 115.27 2glw h LEU 4 Ca -0.33 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.79 2glw h LEU 4 Cb 1.17 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.71 2glw h LEU 4 CO 0.48 0.08 0.66 0.00 0.09 0.00 0.00 178.44 179.75 2glw s ALA 5 N -3.21 -1.97 -0.06 1.53 0.00 -1.26 -4.82 121.76 111.97 2glw s ALA 5 Ca 0.04 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.55 2glw s ALA 5 Cb 0.07 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.67 2glw s ALA 5 CO 0.71 -0.42 -0.04 0.21 0.00 0.00 0.00 175.76 176.23 2glw s LYS 6 N -1.69 0.86 0.16 0.00 2.20 -1.26 -1.89 119.74 118.11 2glw s LYS 6 Ca 0.03 -0.07 -0.12 0.00 -0.36 0.00 0.00 55.97 55.45 2glw s LYS 6 Cb -0.01 -0.97 0.01 0.00 -1.51 0.00 0.00 37.83 35.35 2glw s LYS 6 CO -0.03 -0.16 0.35 -0.59 -0.36 0.00 0.00 175.35 174.57 2glw s PHE 7 N 1.28 0.13 -0.07 4.03 -0.71 -0.98 -5.01 117.98 116.65 2glw s PHE 7 Ca -0.05 -0.49 0.02 0.00 -1.04 0.00 0.00 56.93 55.37 2glw s PHE 7 Cb -0.14 0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.76 2glw s PHE 7 CO -0.02 -0.75 -0.12 -1.01 -1.34 0.00 0.00 175.22 171.98 2glw s HIS 8 N -3.90 2.79 0.14 3.49 3.76 -1.26 -1.07 115.29 119.23 2glw s HIS 8 Ca 0.11 -0.17 -0.13 0.00 -0.15 0.00 0.00 55.06 54.72 2glw s HIS 8 Cb 0.02 -1.68 0.02 0.00 1.11 0.00 0.00 32.58 32.04 2glw s HIS 8 CO -0.04 0.18 0.36 -0.08 -0.85 0.00 0.00 174.74 174.30 2glw s THR 9 N -0.60 0.07 0.26 1.30 -1.32 -1.00 -4.97 115.64 109.38 2glw s THR 9 Ca 0.09 -0.93 0.09 0.00 -1.21 0.00 0.00 61.69 59.72 2glw s THR 9 Cb -0.11 -1.45 -0.04 0.00 -1.51 0.00 0.00 72.50 69.38 2glw s THR 9 CO 0.01 -0.33 0.04 0.28 -2.21 0.00 0.00 174.62 172.41 2glw s THR 10 N -3.87 3.69 0.11 5.08 -1.32 -1.26 -0.84 115.64 117.23 2glw s THR 10 Ca 0.08 -1.77 -0.30 0.00 -1.21 0.00 0.00 61.69 58.49 2glw s THR 10 Cb 0.02 -2.97 -0.06 0.00 -1.51 0.00 0.00 72.50 67.98 2glw s THR 10 CO -0.07 -0.36 1.00 -0.69 -2.21 0.00 0.00 174.62 172.30 2glw s VAL 11 N -2.25 4.39 0.44 5.08 1.01 -0.95 -4.77 120.40 123.34 2glw s VAL 11 Ca 0.32 1.95 0.07 0.00 0.00 0.00 0.00 61.98 64.31 2glw s VAL 11 Cb -0.07 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 2glw s VAL 11 CO 0.21 0.28 0.20 -1.00 0.00 0.00 0.00 175.10 174.79 2glw s HIS 12 N 0.12 2.41 0.67 5.22 3.76 -0.90 -1.52 115.29 125.05 2glw s HIS 12 Ca 0.49 -0.65 -0.17 0.00 -0.15 0.00 0.00 55.06 54.57 2glw s HIS 12 Cb -0.25 -1.93 -0.09 0.00 1.11 0.00 0.00 32.58 31.43 2glw s HIS 12 CO 0.31 0.09 0.20 0.54 -0.85 0.00 0.00 174.74 175.03 2glw n ARG 13 N -1.32 0.22 -0.89 1.40 1.74 -1.26 -1.36 116.66 115.20 2glw n ARG 13 Ca -0.03 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2glw n ARG 13 Cb 0.65 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 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 -2.05 0.00 -1.05 0.55 5.41 -1.26 -2.29 119.36 118.67 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 -0.21 0.53 3.81 7.39 0.00 -0.46 -4.81 105.19 111.44 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 -1.46 4.28 0.09 1.61 3.52 -0.97 -2.48 118.95 123.54 2glw s ARG 16 Ca 0.00 0.90 0.03 0.00 -0.13 0.00 0.00 55.73 56.53 2glw s ARG 16 Cb 0.00 -2.92 -0.03 0.00 -1.56 0.00 0.00 34.95 30.43 2glw s ARG 16 CO 0.00 0.42 -0.10 0.96 -0.81 0.00 0.00 175.30 175.77 2glw s ILE 17 N -1.48 0.85 -0.13 4.11 -4.36 -0.81 -2.11 121.20 117.27 2glw s ILE 17 Ca 0.42 -1.55 0.01 0.00 -0.26 0.00 0.00 60.65 59.28 2glw s ILE 17 Cb -0.17 -1.24 -0.00 0.00 1.25 0.00 0.00 42.46 42.29 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 -2.29 2.59 0.33 8.37 -1.09 -1.26 -1.70 121.20 126.14 2glw s ILE 18 Ca 0.03 -0.82 -0.26 0.00 -2.23 0.00 0.00 60.65 57.38 2glw s ILE 18 Cb -0.04 -2.06 -0.10 0.00 -1.58 0.00 0.00 42.46 38.68 2glw s ILE 18 CO -0.00 0.53 0.94 -0.63 -1.23 0.00 0.00 174.94 174.55 2glw s ILE 19 N 0.54 4.23 0.44 2.92 1.01 -1.16 -4.98 121.20 124.19 2glw s ILE 19 Ca -0.11 1.79 -0.25 0.00 0.00 0.00 0.00 60.65 62.08 2glw s ILE 19 Cb -0.16 -3.97 -0.08 0.00 0.01 0.00 0.00 42.46 38.25 2glw s ILE 19 CO 0.04 0.10 1.35 -2.16 0.00 0.00 0.00 174.94 174.27 2glw s PRO 20 N -2.15 3.75 0.58 2.79 0.04 -1.26 -4.86 135.00 133.88 2glw s PRO 20 Ca 0.51 2.25 0.27 0.00 0.04 0.00 0.00 61.00 64.07 2glw s PRO 20 Cb -0.18 -2.64 1.62 0.00 0.04 0.00 0.00 34.50 33.34 2glw s PRO 20 CO 0.23 -0.70 2.13 0.00 0.04 0.00 0.00 177.00 178.69 2glw h ALA 21 N 2.36 1.84 -0.40 8.56 0.00 -1.95 -1.77 119.26 127.90 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 -0.23 0.10 0.78 0.00 0.00 0.00 179.25 180.51 2glw h GLY 22 N 0.00 0.69 1.30 0.00 0.00 -2.00 -2.20 103.07 100.85 2glw h GLY 22 Ca 0.07 -0.43 -0.15 0.00 0.00 0.00 0.00 47.33 46.82 2glw h GLY 22 CO -0.00 0.40 -0.42 -0.84 0.00 0.00 0.00 176.54 175.67 2glw h THR 23 N 0.51 1.29 -0.93 4.70 2.02 -1.70 -2.61 112.91 116.18 2glw h THR 23 Ca 0.13 -1.61 0.09 0.00 0.77 0.00 0.00 66.41 65.79 2glw h THR 23 Cb 0.30 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 0.58 0.03 0.37 0.00 0.00 175.52 177.02 2glw h ARG 24 N 0.62 0.96 -0.00 6.66 3.08 -1.35 -1.93 114.38 122.42 2glw h ARG 24 Ca 0.04 -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 30.82 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 0.99 0.00 -0.84 0.04 3.64 -1.14 0.39 116.57 119.65 2glw h LYS 25 Ca 0.43 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.88 2glw h LYS 25 Cb 0.31 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 2glw h LYS 25 CO -0.22 0.28 0.55 0.35 -2.27 0.00 0.00 179.45 178.14 2glw h PHE 26 N -0.28 0.94 0.00 1.91 3.57 -1.10 -2.08 116.94 119.90 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 0.28 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.71 2glw h PHE 26 CO 0.02 0.49 -0.54 0.98 -2.23 0.00 0.00 178.31 177.03 2glw n TYR 27 N -4.48 0.51 -2.60 0.41 4.19 -0.76 -4.97 117.16 109.46 2glw n TYR 27 Ca 0.12 0.15 -0.04 0.00 3.31 0.00 0.00 57.90 61.44 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 1.36 0.54 3.72 2.98 0.00 0.01 -5.01 105.19 108.78 2glw n GLY 28 Ca 0.04 -0.45 -0.39 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 5.08 0.18 -0.61 1.01 -0.48 -5.04 121.20 118.27 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 0.27 -0.14 -1.61 0.00 0.00 0.00 174.94 173.61 2glw s GLU 30 N 0.80 1.22 0.32 2.79 2.02 -1.26 -4.87 118.70 119.71 2glw s GLU 30 Ca 0.34 -1.49 -0.29 0.00 0.02 0.00 0.00 54.97 53.55 2glw s GLU 30 Cb -0.17 -1.00 -0.12 0.00 0.10 0.00 0.00 34.13 32.94 2glw s GLU 30 CO 0.16 0.17 1.43 1.04 0.02 0.00 0.00 175.26 178.08 2glw n GLN 31 N -0.14 2.37 0.00 1.61 6.02 -1.26 -2.03 117.38 123.95 2glw n GLN 31 Ca -0.10 0.84 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 2glw n GLN 31 Cb 0.60 -2.51 0.00 0.00 1.02 0.00 0.00 30.24 29.34 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 1.34 1.96 3.82 1.08 0.00 -0.85 -5.01 105.19 107.53 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 -1.85 5.86 -0.08 1.61 1.01 -0.86 -4.79 116.67 117.57 2glw s ASP 33 Ca 0.00 1.66 0.00 0.00 0.71 0.00 0.00 52.55 54.93 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 -1.11 -0.07 -0.36 0.21 0.00 0.00 175.17 173.84 2glw s PHE 34 N -2.75 2.93 0.11 4.23 0.40 -0.93 -1.51 117.98 120.46 2glw s PHE 34 Ca 0.60 -0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.92 2glw s PHE 34 Cb -0.14 -1.75 -0.04 0.00 0.51 0.00 0.00 43.02 41.61 2glw s PHE 34 CO 0.43 0.25 -0.13 0.14 0.70 0.00 0.00 175.22 176.61 2glw s VAL 35 N -0.59 1.19 -0.17 -0.44 -7.23 -0.71 -0.53 120.40 111.91 2glw s VAL 35 Ca 0.09 -1.64 -0.01 0.00 -1.81 0.00 0.00 61.98 58.61 2glw s VAL 35 Cb -0.12 -1.42 -0.00 0.00 0.56 0.00 0.00 36.38 35.40 2glw s VAL 35 CO 0.02 -0.43 -0.13 -0.70 -0.31 0.00 0.00 175.10 173.55 2glw s GLU 36 N -2.59 3.24 0.04 4.82 2.12 -0.34 -1.84 118.70 124.16 2glw s GLU 36 Ca 0.06 -0.72 -0.01 0.00 0.36 0.00 0.00 54.97 54.67 2glw s GLU 36 Cb -0.05 -2.72 -0.03 0.00 0.26 0.00 0.00 34.13 31.59 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 1.02 0.19 0.03 -3.70 2.07 -0.96 -0.24 121.20 119.62 2glw s ILE 37 Ca -0.01 -1.55 0.04 0.00 -1.41 0.00 0.00 60.65 57.72 2glw s ILE 37 Cb -0.15 -1.16 -0.02 0.00 0.13 0.00 0.00 42.46 41.26 2glw s ILE 37 CO -0.03 -0.85 -0.11 -0.75 -1.91 0.00 0.00 174.94 171.28 2glw s LYS 38 N -3.22 0.77 0.13 3.50 2.20 -0.17 -2.18 119.74 120.77 2glw s LYS 38 Ca 0.00 -0.68 0.09 0.00 -0.36 0.00 0.00 55.97 55.02 2glw s LYS 38 Cb 0.03 -0.72 -0.04 0.00 -1.51 0.00 0.00 37.83 35.59 2glw s LYS 38 CO -0.07 0.17 -0.15 0.96 -0.36 0.00 0.00 175.35 175.90 2glw s ILE 39 N -0.88 3.01 -0.04 5.43 -4.36 -0.16 -1.20 121.20 123.01 2glw s ILE 39 Ca -0.01 -1.51 -0.01 0.00 -0.26 0.00 0.00 60.65 58.86 2glw s ILE 39 Cb -0.08 -2.42 0.03 0.00 1.25 0.00 0.00 42.46 41.25 2glw s ILE 39 CO 0.01 0.05 0.02 -0.69 0.24 0.00 0.00 174.94 174.57 2glw s VAL 40 N -1.31 0.08 0.04 8.37 1.01 -0.83 -2.01 120.40 125.76 2glw s VAL 40 Ca 0.20 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.44 2glw s VAL 40 Cb -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 2glw s VAL 40 CO 0.12 0.16 -0.13 -0.75 0.00 0.00 0.00 175.10 174.50 2glw s LYS 41 N 1.48 0.87 -0.16 2.72 2.47 -0.66 -2.76 119.74 123.71 2glw s LYS 41 Ca -0.03 -0.77 -0.04 0.00 -1.56 0.00 0.00 55.97 53.56 2glw s LYS 41 Cb -0.13 -0.86 -0.03 0.00 -1.46 0.00 0.00 37.83 35.35 2glw s LYS 41 CO -0.03 0.21 -0.02 -0.47 0.16 0.00 0.00 175.35 175.20 2glw s TYR 42 N -0.93 3.07 -0.04 4.03 5.04 -1.26 -0.80 117.35 126.46 2glw s TYR 42 Ca 0.00 -0.21 0.01 0.00 -2.44 0.00 0.00 57.07 54.43 2glw s TYR 42 Cb -0.08 -1.98 0.02 0.00 0.35 0.00 0.00 41.96 40.27 2glw s TYR 42 CO 0.01 0.01 -0.05 -1.83 -1.34 0.00 0.00 175.55 172.36 2glw s GLU 43 N 0.34 0.90 7.95 4.97 -1.05 -1.10 -4.98 118.70 125.74 2glw s GLU 43 Ca -0.02 -0.13 0.00 0.00 -0.15 0.00 0.00 54.97 54.66 2glw s GLU 43 Cb -0.14 -0.88 0.00 0.00 -0.44 0.00 0.00 34.13 32.67 2glw s GLU 43 CO 0.02 -0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.58 2glw n GLY 44 N 4.00 3.75 1.22 -3.83 0.00 -1.26 -1.95 105.19 107.13 2glw n GLY 44 Ca -0.25 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 3.36 -4.23 1.61 0.28 -1.26 -4.94 120.64 129.46 2glw n GLU 45 Ca 0.00 -2.68 -0.24 0.00 -0.16 0.00 0.00 57.16 54.08 2glw n GLU 45 Cb 0.00 -1.73 -0.17 0.00 1.43 0.00 0.00 31.44 30.97 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 -1.83 1.31 0.28 3.44 -1.05 -0.82 -5.13 118.70 114.90 2glw s GLU 46 Ca 0.43 -0.24 -0.29 0.00 -0.15 0.00 0.00 54.97 54.71 2glw s GLU 46 Cb 0.28 -1.25 -0.09 0.00 -0.44 0.00 0.00 34.13 32.63 2glw s GLU 46 CO 0.19 -0.10 1.07 -2.14 0.95 0.00 0.00 175.26 175.24 2glw s PRO 47 N 1.09 4.66 -0.06 -4.83 0.02 -1.26 -2.69 135.00 131.92 2glw s PRO 47 Ca -0.07 1.75 0.03 0.00 0.02 0.00 0.00 61.00 62.73 2glw s PRO 47 Cb -0.14 -3.18 -0.02 0.00 0.02 0.00 0.00 34.50 31.17 2glw s PRO 47 CO -0.01 0.25 -0.15 0.15 -0.33 0.00 0.00 177.00 176.91 2glw s LYS 48 N -1.44 2.67 0.17 5.54 -0.14 0.02 -4.96 119.74 121.60 2glw s LYS 48 Ca 0.44 -0.71 0.02 0.00 -1.36 0.00 0.00 55.97 54.36 2glw s LYS 48 Cb -0.31 -2.40 -0.05 0.00 -1.68 0.00 0.00 37.83 33.39 2glw s LYS 48 CO 0.39 0.53 -0.00 -1.21 -0.76 0.00 0.00 175.35 174.30 2glw s GLU 49 N -0.48 1.11 -0.26 1.68 2.02 -1.26 -1.65 118.70 119.86 2glw s GLU 49 Ca 0.06 -1.53 -0.20 0.00 0.02 0.00 0.00 54.97 53.32 2glw s GLU 49 Cb -0.12 -0.29 0.07 0.00 0.10 0.00 0.00 34.13 33.90 2glw s GLU 49 CO 0.02 -0.12 0.67 0.20 0.02 0.00 0.00 175.26 176.04 2glw s GLY 50 N -3.17 -0.54 -0.03 -1.39 0.00 -0.85 -4.80 107.32 96.53 2glw s GLY 50 Ca 0.24 2.07 0.06 0.00 0.00 0.00 0.00 44.72 47.08 2glw s GLY 50 CO 0.04 1.91 -0.21 -1.59 0.00 0.00 0.00 173.10 173.25 2glw s THR 51 N 0.87 1.72 0.30 0.90 2.01 -1.26 -0.99 115.64 119.19 2glw s THR 51 Ca -0.04 -0.91 -0.15 0.00 0.31 0.00 0.00 61.69 60.90 2glw s THR 51 Cb -0.05 -1.45 0.02 0.00 0.01 0.00 0.00 72.50 71.03 2glw s THR 51 CO -0.07 0.49 0.63 0.72 -0.69 0.00 0.00 174.62 175.70 2glw s PHE 52 N -0.29 0.19 -0.07 4.92 -0.71 -0.93 -5.02 117.98 116.07 2glw s PHE 52 Ca 0.02 -0.64 -0.01 0.00 -1.04 0.00 0.00 56.93 55.26 2glw s PHE 52 Cb -0.10 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 -3.50 4.24 -0.00 -4.49 2.01 -1.26 -2.26 115.64 110.39 2glw s THR 53 Ca 0.18 -0.32 -0.02 0.00 0.31 0.00 0.00 61.69 61.83 2glw s THR 53 Cb -0.04 -2.80 -0.00 0.00 0.01 0.00 0.00 72.50 69.67 2glw s THR 53 CO 0.10 0.57 0.05 0.00 -0.69 0.00 0.00 174.62 174.65 2glw s ALA 54 N -0.91 -0.09 0.07 7.40 0.00 -0.77 -5.01 121.76 122.45 2glw s ALA 54 Ca 0.14 -0.14 -0.10 0.00 0.00 0.00 0.00 51.96 51.86 2glw s ALA 54 Cb -0.11 0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.97 2glw s ALA 54 CO 0.03 -0.11 0.40 0.50 0.00 0.00 0.00 175.76 176.59 2glw s ARG 55 N -0.73 3.77 -0.07 0.00 3.52 -1.26 -1.74 118.95 122.43 2glw s ARG 55 Ca -0.08 0.19 -0.30 0.00 -0.13 0.00 0.00 55.73 55.41 2glw s ARG 55 Cb -0.05 -3.01 -0.02 0.00 -1.56 0.00 0.00 34.95 30.31 2glw s ARG 55 CO 0.00 0.57 1.05 0.08 -0.81 0.00 0.00 175.30 176.19 2glw s VAL 56 N -1.38 4.65 0.00 7.11 1.01 -0.57 -4.74 120.40 126.48 2glw s VAL 56 Ca 0.33 1.93 0.00 0.00 0.00 0.00 0.00 61.98 64.23 2glw s VAL 56 Cb -0.14 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.00 2glw s VAL 56 CO 0.18 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.92 2glw n GLY 57 N 3.12 2.65 3.73 4.51 0.00 -0.91 -2.01 105.19 116.27 2glw n GLY 57 Ca 0.09 -2.10 -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 -0.13 2.36 -1.44 1.61 2.12 -1.26 -2.33 118.70 119.63 2glw s GLU 58 Ca 0.00 1.90 0.00 0.00 0.36 0.00 0.00 54.97 57.23 2glw s GLU 58 Cb 0.00 -1.84 0.00 0.00 0.26 0.00 0.00 34.13 32.55 2glw s GLU 58 CO 0.00 -1.70 0.00 1.04 -0.54 0.00 0.00 175.26 174.06 2glw n GLN 59 N -2.29 -1.43 -1.24 4.30 6.02 -1.26 -2.12 117.38 119.35 2glw n GLN 59 Ca 0.14 0.81 -0.07 0.00 -0.01 0.00 0.00 57.00 57.87 2glw n GLN 59 Cb 0.49 -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 -0.35 0.86 3.78 1.08 0.00 -0.98 -4.68 105.19 104.90 2glw n GLY 60 Ca -0.14 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.92 7.17 0.02 1.61 0.15 -0.90 -3.01 113.70 115.82 2glw s SER 61 Ca 0.00 1.92 0.01 0.00 0.70 0.00 0.00 55.95 58.57 2glw s SER 61 Cb 0.00 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 2glw s SER 61 CO 0.00 -0.19 -0.04 0.54 1.20 0.00 0.00 173.24 174.75 2glw s VAL 62 N -1.61 0.24 -0.20 4.45 0.11 -0.69 -2.15 120.40 120.55 2glw s VAL 62 Ca 0.52 -0.65 -0.04 0.00 -2.93 0.00 0.00 61.98 58.88 2glw s VAL 62 Cb -0.20 -0.31 -0.02 0.00 -1.53 0.00 0.00 36.38 34.32 2glw s VAL 62 CO 0.26 -0.27 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.10 2glw s ILE 63 N -0.91 3.59 0.30 7.04 -1.09 -1.26 -1.92 121.20 126.94 2glw s ILE 63 Ca -0.08 -0.43 -0.28 0.00 -2.23 0.00 0.00 60.65 57.63 2glw s ILE 63 Cb -0.07 -2.62 -0.09 0.00 -1.58 0.00 0.00 42.46 38.10 2glw s ILE 63 CO -0.00 0.43 0.98 -0.63 -1.23 0.00 0.00 174.94 174.48 2glw s ILE 64 N 1.19 4.02 0.24 2.92 1.01 -1.03 -4.93 121.20 124.60 2glw s ILE 64 Ca 0.03 1.81 -0.30 0.00 0.00 0.00 0.00 60.65 62.18 2glw s ILE 64 Cb -0.14 -4.07 -0.10 0.00 0.01 0.00 0.00 42.46 38.16 2glw s ILE 64 CO -0.00 0.27 1.49 -2.16 0.00 0.00 0.00 174.94 174.54 2glw s PRO 65 N -1.75 4.23 0.42 2.79 0.04 -1.26 -4.84 135.00 134.64 2glw s PRO 65 Ca 0.47 2.36 0.14 0.00 0.04 0.00 0.00 61.00 64.02 2glw s PRO 65 Cb -0.23 -3.11 1.02 0.00 0.04 0.00 0.00 34.50 32.22 2glw s PRO 65 CO 0.29 -0.50 1.94 -0.22 0.04 0.00 0.00 177.00 178.56 2glw h LYS 66 N 5.40 0.43 -0.81 4.56 3.64 -1.94 -1.25 116.57 126.60 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 0.81 0.28 0.53 0.00 -2.27 0.00 0.00 179.45 178.80 2glw h ALA 67 N 1.66 1.52 0.02 5.00 0.00 -2.01 -1.72 119.26 123.73 2glw h ALA 67 Ca 0.33 -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 0.40 -0.94 -0.07 0.00 0.00 0.00 179.25 178.54 2glw h LEU 68 N 0.99 0.25 -0.46 0.00 3.38 -1.61 -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 40.68 2glw h LEU 68 CO -0.10 1.06 0.24 0.03 0.09 0.00 0.00 178.44 179.76 2glw h ARG 69 N 0.09 0.46 -0.10 1.13 3.08 -0.95 -1.60 114.38 116.49 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 0.30 -0.12 -0.44 -1.07 0.00 0.00 179.97 178.78 2glw h ASP 70 N 0.47 0.28 -0.80 7.04 3.32 -1.49 -1.60 116.42 123.65 2glw h ASP 70 Ca 0.20 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2glw h ASP 70 Cb 0.09 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 2glw h ASP 70 CO -0.13 0.73 0.50 0.58 -1.72 0.00 0.00 179.24 179.20 2glw h VAL 71 N -0.16 1.22 0.00 -1.35 2.07 -1.43 -2.32 116.25 114.28 2glw h VAL 71 Ca 0.01 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.09 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 -0.23 0.40 0.02 0.00 0.00 177.57 178.01 2glw h ILE 72 N 1.10 0.00 -1.18 4.57 2.04 -1.29 -3.48 117.51 119.28 2glw h ILE 72 Ca 0.29 -0.78 -0.07 0.00 1.00 0.00 0.00 64.86 65.31 2glw h ILE 72 Cb -0.08 1.65 0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2glw h ILE 72 CO -0.06 0.00 -0.10 0.61 0.00 0.00 0.00 178.15 178.60 2glw n GLY 73 N 1.21 0.47 3.82 5.37 0.00 -0.64 -4.79 105.19 110.62 2glw n GLY 73 Ca 0.04 -0.63 -0.38 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 -2.63 4.97 0.25 -0.61 -1.09 -0.95 -5.06 121.20 116.09 2glw s ILE 74 Ca 0.05 0.94 0.09 0.00 -2.23 0.00 0.00 60.65 59.50 2glw s ILE 74 Cb -0.02 -3.77 -0.05 0.00 -1.58 0.00 0.00 42.46 37.04 2glw s ILE 74 CO 0.06 0.55 -0.14 -0.54 -1.23 0.00 0.00 174.94 173.64 2glw s LYS 75 N -0.91 1.52 0.30 2.79 -0.14 -1.26 -4.87 119.74 117.17 2glw s LYS 75 Ca 0.25 -1.71 -0.30 0.00 -1.36 0.00 0.00 55.97 52.85 2glw s LYS 75 Cb -0.17 -1.38 -0.11 0.00 -1.68 0.00 0.00 37.83 34.48 2glw s LYS 75 CO 0.14 0.20 1.59 -1.25 -0.76 0.00 0.00 175.35 175.28 2glw s PRO 76 N -3.61 4.12 0.00 -1.68 0.04 -1.26 -2.42 135.00 130.19 2glw s PRO 76 Ca 0.27 2.59 0.00 0.00 0.04 0.00 0.00 61.00 63.90 2glw s PRO 76 Cb -0.01 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.51 2glw s PRO 76 CO 0.11 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.93 2glw n GLY 77 N 1.99 0.73 3.77 0.56 0.00 -0.58 -4.95 105.19 106.71 2glw n GLY 77 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 4.06 -0.08 1.61 2.02 -1.01 -4.87 118.70 119.83 2glw s GLU 78 Ca 0.00 0.04 -0.18 0.00 0.02 0.00 0.00 54.97 54.85 2glw s GLU 78 Cb 0.00 -3.36 -0.05 0.00 0.10 0.00 0.00 34.13 30.82 2glw s GLU 78 CO 0.00 0.40 0.48 0.54 0.02 0.00 0.00 175.26 176.69 2glw s VAL 79 N 0.01 5.13 0.27 2.63 0.11 -1.26 -2.25 120.40 125.04 2glw s VAL 79 Ca 0.16 0.96 0.12 0.00 -2.93 0.00 0.00 61.98 60.29 2glw s VAL 79 Cb -0.13 -3.81 -0.05 0.00 -1.53 0.00 0.00 36.38 30.86 2glw s VAL 79 CO 0.04 0.38 -0.19 0.27 -3.33 0.00 0.00 175.10 172.27 2glw s ILE 80 N 0.24 2.52 -0.18 7.04 -4.36 -0.02 -4.92 121.20 121.52 2glw s ILE 80 Ca 0.26 -2.34 -0.12 0.00 -0.26 0.00 0.00 60.65 58.19 2glw s ILE 80 Cb -0.16 -2.31 -0.05 0.00 1.25 0.00 0.00 42.46 41.19 2glw s ILE 80 CO 0.12 -0.37 0.20 -0.70 0.24 0.00 0.00 174.94 174.43 2glw s GLU 81 N -3.44 4.21 -0.12 0.37 2.12 -1.11 -2.37 118.70 118.36 2glw s GLU 81 Ca 0.29 -0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.55 2glw s GLU 81 Cb -0.05 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 2glw s GLU 81 CO 0.15 0.28 -0.15 0.08 -0.54 0.00 0.00 175.26 175.07 2glw s VAL 82 N 0.39 2.84 -0.12 3.70 1.01 -0.23 -1.96 120.40 126.03 2glw s VAL 82 Ca 0.12 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2glw s VAL 82 Cb -0.12 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 2glw s VAL 82 CO 0.01 0.53 -0.18 -0.76 0.00 0.00 0.00 175.10 174.70 2glw s LEU 83 N 0.32 2.44 0.28 3.92 1.43 -0.34 -2.33 118.68 124.40 2glw s LEU 83 Ca -0.12 -0.44 -0.28 0.00 -1.03 0.00 0.00 54.13 52.27 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 0.06 0.16 0.94 -0.76 0.23 0.00 0.00 176.35 176.97 2glw s LEU 84 N 0.39 4.47 -0.00 1.79 1.43 -0.79 -1.00 118.68 124.97 2glw s LEU 84 Ca -0.14 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.84 2glw s LEU 84 Cb -0.17 -3.83 -0.01 0.00 0.03 0.00 0.00 46.19 42.22 2glw s LEU 84 CO 0.06 0.03 0.01 0.18 0.23 0.00 0.00 176.35 176.87 2glw n LEU 85 N 0.97 0.00 0.00 1.79 4.77 0.67 -2.23 117.00 122.97 2glw n LEU 85 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.95 2glw n LEU 85 Cb 0.49 0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.61 2glw n LEU 85 CO 0.47 0.01 0.73 0.61 -1.33 0.00 0.00 177.39 177.87 2glw n GLY 86 N 2.75 0.70 3.18 -0.72 0.00 -0.95 -4.82 105.19 105.32 2glw n GLY 86 Ca -0.01 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.40 0.00 0.01 1.61 -3.43 -1.26 -1.20 115.29 108.63 2glw s HIS 87 Ca 0.21 -0.14 0.00 0.00 -0.80 0.00 0.00 55.06 54.33 2glw s HIS 87 Cb -0.03 -0.00 -0.01 0.00 -1.43 0.00 0.00 32.58 31.11 2glw s HIS 87 CO 0.06 -0.40 -0.02 0.71 -2.00 0.00 0.00 174.74 173.09 2glw s TYR 88 N -2.09 0.18 0.19 0.38 2.02 0.31 -4.93 117.35 113.41 2glw s TYR 88 Ca -0.09 -0.24 0.09 0.00 -0.37 0.00 0.00 57.07 56.46 2glw s TYR 88 Cb -0.03 -0.12 -0.04 0.00 -0.40 0.00 0.00 41.96 41.36 2glw s TYR 88 CO -0.01 -0.08 -0.09 0.15 -1.57 0.00 0.00 175.55 173.95 2glw s LYS 89 N -0.66 2.08 0.41 -0.62 1.02 -1.26 -2.19 119.74 118.52 2glw s LYS 89 Ca -0.06 -1.29 -0.26 0.00 0.02 0.00 0.00 55.97 54.38 2glw s LYS 89 Cb -0.05 -2.16 -0.10 0.00 -0.52 0.00 0.00 37.83 35.01 2glw s LYS 89 CO -0.00 0.43 1.23 -2.30 -0.92 0.00 0.00 175.35 173.79 2glw n PRO 90 N -0.05 1.86 -4.15 -1.68 -0.02 -1.26 -4.99 135.00 124.71 2glw n PRO 90 Ca -0.10 0.66 -0.11 0.00 -2.02 0.00 0.00 63.50 61.93 2glw n PRO 90 Cb 0.56 -2.33 -0.10 0.00 -0.02 0.00 0.00 33.50 31.61 2glw n PRO 90 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2glw s ARG 91 N -2.15 0.77 0.00 -0.52 1.70 -1.26 -5.19 118.95 112.29 2glw s ARG 91 Ca 0.61 -1.23 0.00 0.00 -0.47 0.00 0.00 55.73 54.64 2glw s ARG 91 Cb -0.52 -0.20 0.00 0.00 -0.57 0.00 0.00 34.95 33.66 2glw s ARG 91 CO 0.58 -0.01 0.00 0.09 -1.08 0.00 0.00 175.30 174.88