#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 7.28 0.01 7.83 1.01 -1.26 -5.06 116.67 126.48 2glw s ASP 2 Ca 0.00 2.05 0.05 0.00 0.71 0.00 0.00 52.55 55.37 2glw s ASP 2 Cb 0.00 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 2glw s ASP 2 CO 0.00 -0.12 -0.16 0.54 0.21 0.00 0.00 175.17 175.64 2glw s VAL 3 N -1.36 1.31 -0.39 -1.27 0.11 -1.26 -4.68 120.40 112.86 2glw s VAL 3 Ca 0.47 -0.83 0.23 0.00 -2.93 0.00 0.00 61.98 58.93 2glw s VAL 3 Cb -0.26 -1.11 0.01 0.00 -1.53 0.00 0.00 36.38 33.50 2glw s VAL 3 CO 0.33 0.27 1.14 -0.07 -3.33 0.00 0.00 175.10 173.44 2glw h LEU 4 N 5.45 0.00 -7.00 2.54 3.38 -1.72 -3.48 115.31 114.48 2glw h LEU 4 Ca -0.37 -0.09 0.16 0.00 0.09 0.00 0.00 57.88 57.66 2glw h LEU 4 Cb 1.16 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.70 2glw h LEU 4 CO 0.47 0.05 0.67 0.00 0.09 0.00 0.00 178.44 179.72 2glw s ALA 5 N -3.29 -1.98 -0.06 1.53 0.00 -1.26 -4.93 121.76 111.78 2glw s ALA 5 Ca 0.02 1.51 0.01 0.00 0.00 0.00 0.00 51.96 53.50 2glw s ALA 5 Cb 0.11 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.83 2glw s ALA 5 CO 0.77 -0.46 -0.05 0.21 0.00 0.00 0.00 175.76 176.23 2glw s LYS 6 N -1.90 0.93 0.13 0.00 2.20 -1.26 -1.88 119.74 117.97 2glw s LYS 6 Ca 0.04 -0.11 -0.10 0.00 -0.36 0.00 0.00 55.97 55.44 2glw s LYS 6 Cb -0.01 -0.98 0.00 0.00 -1.51 0.00 0.00 37.83 35.34 2glw s LYS 6 CO -0.04 -0.13 0.28 -0.59 -0.36 0.00 0.00 175.35 174.52 2glw s PHE 7 N 1.15 0.19 -0.06 4.03 -0.71 -0.98 -5.00 117.98 116.59 2glw s PHE 7 Ca -0.07 -0.57 0.03 0.00 -1.04 0.00 0.00 56.93 55.27 2glw s PHE 7 Cb -0.14 0.02 -0.02 0.00 -1.21 0.00 0.00 43.02 41.66 2glw s PHE 7 CO -0.01 -0.67 -0.13 -1.01 -1.34 0.00 0.00 175.22 172.05 2glw s HIS 8 N -3.90 2.74 0.14 3.49 3.76 -1.26 -1.04 115.29 119.22 2glw s HIS 8 Ca 0.10 -0.22 -0.13 0.00 -0.15 0.00 0.00 55.06 54.67 2glw s HIS 8 Cb 0.03 -1.67 0.01 0.00 1.11 0.00 0.00 32.58 32.07 2glw s HIS 8 CO -0.06 0.14 0.35 -0.08 -0.85 0.00 0.00 174.74 174.24 2glw s THR 9 N -0.56 0.08 0.23 1.30 -1.32 -1.01 -4.93 115.64 109.43 2glw s THR 9 Ca 0.08 -0.95 0.08 0.00 -1.21 0.00 0.00 61.69 59.69 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 -0.35 0.08 0.28 -2.21 0.00 0.00 174.62 172.44 2glw s THR 10 N -3.87 3.96 0.16 5.08 -1.32 -1.26 -0.95 115.64 117.44 2glw s THR 10 Ca 0.08 -1.55 -0.30 0.00 -1.21 0.00 0.00 61.69 58.71 2glw s THR 10 Cb 0.02 -3.09 -0.07 0.00 -1.51 0.00 0.00 72.50 67.85 2glw s THR 10 CO -0.07 -0.29 0.98 -0.69 -2.21 0.00 0.00 174.62 172.34 2glw s VAL 11 N -2.08 4.26 0.44 5.08 1.01 -0.93 -4.77 120.40 123.40 2glw s VAL 11 Ca 0.31 2.00 0.06 0.00 0.00 0.00 0.00 61.98 64.35 2glw s VAL 11 Cb -0.08 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 2glw s VAL 11 CO 0.22 0.36 0.18 -1.00 0.00 0.00 0.00 175.10 174.86 2glw s HIS 12 N -0.39 2.41 0.66 5.22 3.76 -0.85 -1.55 115.29 124.54 2glw s HIS 12 Ca 0.46 -0.66 -0.17 0.00 -0.15 0.00 0.00 55.06 54.53 2glw s HIS 12 Cb -0.25 -1.91 -0.09 0.00 1.11 0.00 0.00 32.58 31.44 2glw s HIS 12 CO 0.31 0.13 0.24 0.54 -0.85 0.00 0.00 174.74 175.11 2glw n ARG 13 N -1.29 0.24 -0.91 1.40 1.74 -1.26 -1.36 116.66 115.22 2glw n ARG 13 Ca -0.03 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2glw n ARG 13 Cb 0.65 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 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 -2.03 0.00 -1.04 0.55 5.41 -1.26 -2.31 119.36 118.68 2glw n ILE 14 Ca 0.09 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.82 2glw n ILE 14 Cb 0.49 -0.78 -0.01 0.00 -0.71 0.00 0.00 39.64 38.63 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 -0.03 0.51 3.78 7.39 0.00 -0.47 -4.81 105.19 111.57 2glw n GLY 15 Ca 0.00 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.42 4.53 0.09 1.61 3.52 -0.98 -2.39 118.95 123.91 2glw s ARG 16 Ca 0.00 1.13 0.03 0.00 -0.13 0.00 0.00 55.73 56.77 2glw s ARG 16 Cb 0.00 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.20 2glw s ARG 16 CO 0.00 0.52 -0.09 0.96 -0.81 0.00 0.00 175.30 175.87 2glw s ILE 17 N -1.25 0.87 -0.12 4.11 -4.36 -0.92 -2.02 121.20 117.51 2glw s ILE 17 Ca 0.38 -1.65 0.02 0.00 -0.26 0.00 0.00 60.65 59.14 2glw s ILE 17 Cb -0.22 -1.36 -0.01 0.00 1.25 0.00 0.00 42.46 42.13 2glw s ILE 17 CO 0.25 -0.60 -0.19 -0.63 0.24 0.00 0.00 174.94 174.02 2glw s ILE 18 N -2.57 2.53 0.35 8.37 -1.09 -1.26 -1.86 121.20 125.68 2glw s ILE 18 Ca 0.05 -0.85 -0.25 0.00 -2.23 0.00 0.00 60.65 57.38 2glw s ILE 18 Cb -0.02 -2.02 -0.10 0.00 -1.58 0.00 0.00 42.46 38.74 2glw s ILE 18 CO -0.01 0.54 0.95 -0.63 -1.23 0.00 0.00 174.94 174.57 2glw s ILE 19 N 0.37 4.23 0.44 2.92 1.01 -1.16 -4.95 121.20 124.06 2glw s ILE 19 Ca -0.15 1.72 -0.25 0.00 0.00 0.00 0.00 60.65 61.97 2glw s ILE 19 Cb -0.17 -3.89 -0.08 0.00 0.01 0.00 0.00 42.46 38.33 2glw s ILE 19 CO 0.07 0.02 1.36 -2.16 0.00 0.00 0.00 174.94 174.22 2glw s PRO 20 N -2.37 3.76 0.58 2.79 0.04 -1.26 -4.87 135.00 133.67 2glw s PRO 20 Ca 0.54 2.26 0.27 0.00 0.04 0.00 0.00 61.00 64.11 2glw s PRO 20 Cb -0.16 -2.65 1.63 0.00 0.04 0.00 0.00 34.50 33.36 2glw s PRO 20 CO 0.21 -0.70 2.14 0.00 0.04 0.00 0.00 177.00 178.69 2glw h ALA 21 N 2.38 1.81 -0.43 8.56 0.00 -1.95 -1.92 119.26 127.72 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 -0.21 0.08 0.78 0.00 0.00 0.00 179.25 180.52 2glw h GLY 22 N 0.00 0.75 1.25 0.00 0.00 -2.00 -2.12 103.07 100.96 2glw h GLY 22 Ca 0.07 -0.49 -0.15 0.00 0.00 0.00 0.00 47.33 46.75 2glw h GLY 22 CO -0.00 0.45 -0.41 -0.84 0.00 0.00 0.00 176.54 175.74 2glw h THR 23 N 0.56 1.28 -0.74 4.70 2.02 -1.72 -2.34 112.91 116.67 2glw h THR 23 Ca 0.13 -1.59 0.07 0.00 0.77 0.00 0.00 66.41 65.80 2glw h THR 23 Cb 0.35 1.46 -0.06 0.00 -1.74 0.00 0.00 68.15 68.16 2glw h THR 23 CO 0.01 0.52 0.42 0.03 0.37 0.00 0.00 175.52 176.86 2glw h ARG 24 N 0.66 0.73 0.01 6.66 3.08 -1.36 -1.39 114.38 122.78 2glw h ARG 24 Ca 0.05 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2glw h ARG 24 Cb 0.98 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.86 2glw h ARG 24 CO 0.09 0.48 -0.01 -0.22 -1.07 0.00 0.00 179.97 179.25 2glw h LYS 25 N 0.75 -0.02 -0.73 0.04 3.64 -1.19 -0.78 116.57 118.28 2glw h LYS 25 Ca 0.34 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.78 2glw h LYS 25 Cb 0.24 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 2glw h LYS 25 CO -0.20 0.34 0.48 0.35 -2.27 0.00 0.00 179.45 178.14 2glw h PHE 26 N -0.38 0.77 0.00 1.91 3.57 -1.21 -2.36 116.94 119.25 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 0.36 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.85 2glw h PHE 26 CO 0.05 0.41 -0.57 0.98 -2.23 0.00 0.00 178.31 176.95 2glw n TYR 27 N -4.48 0.47 -2.71 0.41 4.19 -0.54 -4.97 117.16 109.54 2glw n TYR 27 Ca 0.11 0.14 -0.06 0.00 3.31 0.00 0.00 57.90 61.40 2glw n TYR 27 Cb 0.22 -0.60 0.02 0.00 0.49 0.00 0.00 39.34 39.47 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 0.52 3.75 2.98 0.00 -0.37 -5.01 105.19 108.42 2glw n GLY 28 Ca 0.04 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.08 5.08 0.17 -0.61 1.01 -0.75 -5.06 121.20 117.95 2glw s ILE 29 Ca 0.12 1.05 0.06 0.00 0.00 0.00 0.00 60.65 61.88 2glw s ILE 29 Cb -0.05 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 2glw s ILE 29 CO 0.19 0.38 -0.12 -1.61 0.00 0.00 0.00 174.94 173.77 2glw s GLU 30 N 0.17 1.17 0.37 2.79 2.02 -1.26 -4.88 118.70 119.07 2glw s GLU 30 Ca 0.28 -1.48 -0.28 0.00 0.02 0.00 0.00 54.97 53.51 2glw s GLU 30 Cb -0.16 -0.87 -0.11 0.00 0.10 0.00 0.00 34.13 33.08 2glw s GLU 30 CO 0.13 0.13 1.39 0.94 0.02 0.00 0.00 175.26 177.88 2glw n GLN 31 N -0.18 2.40 0.00 1.61 7.27 -1.26 -2.02 117.38 125.21 2glw n GLN 31 Ca -0.10 0.84 0.00 0.00 0.07 0.00 0.00 57.00 57.81 2glw n GLN 31 Cb 0.60 -2.51 0.00 0.00 2.41 0.00 0.00 30.24 30.74 2glw n GLN 31 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2glw n GLY 32 N 0.60 2.38 3.84 1.69 0.00 -0.96 -5.02 105.19 107.72 2glw n GLY 32 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.65 5.86 -0.06 1.61 1.01 -0.85 -4.81 116.67 117.77 2glw s ASP 33 Ca 0.00 1.58 0.02 0.00 0.71 0.00 0.00 52.55 54.86 2glw s ASP 33 Cb 0.00 -2.49 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 2glw s ASP 33 CO 0.00 -1.12 -0.10 -0.36 0.21 0.00 0.00 175.17 173.80 2glw s PHE 34 N -2.94 2.85 0.12 4.23 0.40 -0.97 -1.60 117.98 120.07 2glw s PHE 34 Ca 0.58 -0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.91 2glw s PHE 34 Cb -0.13 -1.69 -0.04 0.00 0.51 0.00 0.00 43.02 41.68 2glw s PHE 34 CO 0.49 0.26 -0.13 0.14 0.70 0.00 0.00 175.22 176.68 2glw s VAL 35 N -0.74 1.26 -0.17 -0.44 -7.23 -0.68 -0.54 120.40 111.86 2glw s VAL 35 Ca 0.11 -1.72 -0.00 0.00 -1.81 0.00 0.00 61.98 58.56 2glw s VAL 35 Cb -0.11 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.32 2glw s VAL 35 CO 0.01 -0.46 -0.14 -0.70 -0.31 0.00 0.00 175.10 173.50 2glw s GLU 36 N -2.74 3.19 0.05 4.82 2.12 -0.24 -1.83 118.70 124.08 2glw s GLU 36 Ca 0.09 -0.74 -0.01 0.00 0.36 0.00 0.00 54.97 54.66 2glw s GLU 36 Cb -0.04 -2.68 -0.03 0.00 0.26 0.00 0.00 34.13 31.63 2glw s GLU 36 CO 0.02 -0.07 -0.01 -1.50 -0.54 0.00 0.00 175.26 173.16 2glw s ILE 37 N 1.04 0.19 0.03 -3.70 2.07 -0.94 -0.13 121.20 119.77 2glw s ILE 37 Ca -0.01 -1.59 0.04 0.00 -1.41 0.00 0.00 60.65 57.67 2glw s ILE 37 Cb -0.15 -1.27 -0.02 0.00 0.13 0.00 0.00 42.46 41.16 2glw s ILE 37 CO -0.04 -0.88 -0.11 -0.75 -1.91 0.00 0.00 174.94 171.26 2glw s LYS 38 N -3.44 0.75 0.13 3.50 2.20 -0.05 -2.04 119.74 120.78 2glw s LYS 38 Ca 0.02 -0.65 0.08 0.00 -0.36 0.00 0.00 55.97 55.07 2glw s LYS 38 Cb 0.04 -0.69 -0.04 0.00 -1.51 0.00 0.00 37.83 35.63 2glw s LYS 38 CO -0.08 0.17 -0.14 0.96 -0.36 0.00 0.00 175.35 175.89 2glw s ILE 39 N -0.83 3.05 -0.03 5.43 -4.36 -0.16 -1.11 121.20 123.18 2glw s ILE 39 Ca -0.01 -1.49 -0.01 0.00 -0.26 0.00 0.00 60.65 58.88 2glw s ILE 39 Cb -0.07 -2.43 0.03 0.00 1.25 0.00 0.00 42.46 41.23 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 0.01 0.05 8.37 1.01 -0.83 -1.83 120.40 125.88 2glw s VAL 40 Ca 0.20 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.48 2glw s VAL 40 Cb -0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 2glw s VAL 40 CO 0.12 0.14 -0.12 -0.75 0.00 0.00 0.00 175.10 174.50 2glw s LYS 41 N 1.48 0.72 -0.20 2.72 2.47 -0.50 -2.72 119.74 123.71 2glw s LYS 41 Ca -0.04 -0.81 -0.08 0.00 -1.56 0.00 0.00 55.97 53.48 2glw s LYS 41 Cb -0.13 -0.65 -0.04 0.00 -1.46 0.00 0.00 37.83 35.55 2glw s LYS 41 CO -0.03 0.14 0.09 -0.47 0.16 0.00 0.00 175.35 175.25 2glw s TYR 42 N -1.17 3.27 -0.03 4.03 5.04 -1.26 -0.76 117.35 126.47 2glw s TYR 42 Ca -0.04 0.09 0.01 0.00 -2.44 0.00 0.00 57.07 54.70 2glw s TYR 42 Cb -0.09 -2.14 0.01 0.00 0.35 0.00 0.00 41.96 40.09 2glw s TYR 42 CO 0.01 0.11 -0.05 -1.21 -1.34 0.00 0.00 175.55 173.07 2glw s GLU 43 N 0.60 0.67 7.93 4.97 2.02 -1.04 -4.96 118.70 128.89 2glw s GLU 43 Ca 0.05 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 54.88 2glw s GLU 43 Cb -0.13 -0.67 0.00 0.00 0.10 0.00 0.00 34.13 33.43 2glw s GLU 43 CO 0.01 0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.72 2glw n GLY 44 N 3.53 3.75 1.04 -1.39 0.00 -1.26 -1.92 105.19 108.94 2glw n GLY 44 Ca -0.20 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 2.83 -4.49 1.61 0.28 -1.26 -4.97 120.64 128.64 2glw n GLU 45 Ca 0.00 -2.40 -0.21 0.00 -0.16 0.00 0.00 57.16 54.39 2glw n GLU 45 Cb 0.00 -1.45 -0.15 0.00 1.43 0.00 0.00 31.44 31.27 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 -1.04 1.01 0.26 3.44 -1.05 -0.81 -5.13 118.70 115.37 2glw s GLU 46 Ca 0.38 -0.39 -0.30 0.00 -0.15 0.00 0.00 54.97 54.51 2glw s GLU 46 Cb 0.20 -0.95 -0.09 0.00 -0.44 0.00 0.00 34.13 32.85 2glw s GLU 46 CO 0.25 0.20 1.08 -2.14 0.95 0.00 0.00 175.26 175.60 2glw s PRO 47 N -0.08 4.65 -0.07 -4.83 0.02 -1.26 -2.50 135.00 130.93 2glw s PRO 47 Ca 0.01 1.76 0.02 0.00 0.02 0.00 0.00 61.00 62.81 2glw s PRO 47 Cb -0.06 -3.22 -0.02 0.00 0.02 0.00 0.00 34.50 31.22 2glw s PRO 47 CO 0.00 0.22 -0.13 0.15 -0.33 0.00 0.00 177.00 176.91 2glw s LYS 48 N -1.21 2.77 0.17 5.54 -0.14 0.06 -4.94 119.74 121.98 2glw s LYS 48 Ca 0.45 -0.67 0.00 0.00 -1.36 0.00 0.00 55.97 54.39 2glw s LYS 48 Cb -0.31 -2.47 -0.04 0.00 -1.68 0.00 0.00 37.83 33.32 2glw s LYS 48 CO 0.39 0.52 0.06 -1.83 -0.76 0.00 0.00 175.35 173.73 2glw s GLU 49 N -0.45 1.07 -0.27 1.68 -1.05 -1.26 -1.41 118.70 117.00 2glw s GLU 49 Ca 0.06 -1.53 -0.21 0.00 -0.15 0.00 0.00 54.97 53.14 2glw s GLU 49 Cb -0.12 0.05 0.07 0.00 -0.44 0.00 0.00 34.13 33.69 2glw s GLU 49 CO 0.02 -0.25 0.70 0.20 0.95 0.00 0.00 175.26 176.88 2glw s GLY 50 N -3.13 -0.58 -0.04 -3.83 0.00 -0.76 -4.85 107.32 94.14 2glw s GLY 50 Ca 0.28 2.18 0.07 0.00 0.00 0.00 0.00 44.72 47.24 2glw s GLY 50 CO 0.05 2.00 -0.25 -1.59 0.00 0.00 0.00 173.10 173.31 2glw s THR 51 N 0.89 2.06 0.31 0.90 2.01 -1.26 -0.99 115.64 119.56 2glw s THR 51 Ca -0.04 -1.09 -0.14 0.00 0.31 0.00 0.00 61.69 60.73 2glw s THR 51 Cb -0.05 -1.72 0.02 0.00 0.01 0.00 0.00 72.50 70.76 2glw s THR 51 CO -0.07 0.58 0.64 0.72 -0.69 0.00 0.00 174.62 175.79 2glw s PHE 52 N -0.42 0.24 -0.07 4.92 -0.71 -0.87 -5.02 117.98 116.05 2glw s PHE 52 Ca 0.04 -0.70 -0.02 0.00 -1.04 0.00 0.00 56.93 55.21 2glw s PHE 52 Cb -0.12 0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 42.15 2glw s PHE 52 CO 0.01 -1.26 0.02 0.99 -1.34 0.00 0.00 175.22 173.64 2glw s THR 53 N -3.34 4.42 0.00 -4.49 2.01 -1.26 -2.22 115.64 110.76 2glw s THR 53 Ca 0.18 -0.26 -0.01 0.00 0.31 0.00 0.00 61.69 61.91 2glw s THR 53 Cb -0.04 -2.89 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 2glw s THR 53 CO 0.11 0.56 0.02 0.00 -0.69 0.00 0.00 174.62 174.62 2glw s ALA 54 N -0.94 -0.03 0.09 7.40 0.00 -0.76 -5.01 121.76 122.51 2glw s ALA 54 Ca 0.15 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.81 2glw s ALA 54 Cb -0.11 0.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.99 2glw s ALA 54 CO 0.04 -0.09 0.43 0.50 0.00 0.00 0.00 175.76 176.63 2glw s ARG 55 N -0.70 3.79 -0.09 0.00 3.52 -1.26 -1.68 118.95 122.53 2glw s ARG 55 Ca -0.08 0.23 -0.30 0.00 -0.13 0.00 0.00 55.73 55.45 2glw s ARG 55 Cb -0.05 -2.98 -0.02 0.00 -1.56 0.00 0.00 34.95 30.35 2glw s ARG 55 CO -0.00 0.54 1.03 0.08 -0.81 0.00 0.00 175.30 176.14 2glw s VAL 56 N -1.41 4.73 0.08 7.11 1.01 -0.63 -4.69 120.40 126.59 2glw s VAL 56 Ca 0.34 1.99 0.01 0.00 0.00 0.00 0.00 61.98 64.32 2glw s VAL 56 Cb -0.14 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.97 2glw s VAL 56 CO 0.18 0.01 0.10 0.61 0.00 0.00 0.00 175.10 176.00 2glw n GLY 57 N 3.11 2.16 3.71 4.51 0.00 -0.70 -2.27 105.19 115.72 2glw n GLY 57 Ca 0.09 -2.15 -0.33 0.00 0.00 0.00 0.00 46.02 43.62 2glw n GLY 57 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2glw s GLU 58 N -2.34 1.78 -1.57 1.61 2.12 -1.26 -2.28 118.70 116.76 2glw s GLU 58 Ca 0.07 1.69 0.00 0.00 0.36 0.00 0.00 54.97 57.09 2glw s GLU 58 Cb -0.01 -1.80 0.00 0.00 0.26 0.00 0.00 34.13 32.58 2glw s GLU 58 CO 0.05 -2.09 0.00 1.04 -0.54 0.00 0.00 175.26 173.72 2glw n GLN 59 N -3.22 -1.38 -1.25 4.30 1.13 -1.26 -2.17 117.38 113.53 2glw n GLN 59 Ca 0.13 0.90 -0.07 0.00 -1.94 0.00 0.00 57.00 56.01 2glw n GLN 59 Cb 0.51 -5.17 -0.03 0.00 0.11 0.00 0.00 30.24 25.66 2glw n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2glw n GLY 60 N -0.23 0.89 3.79 1.08 0.00 -0.97 -4.71 105.19 105.04 2glw n GLY 60 Ca -0.15 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.91 7.03 0.02 1.61 0.01 -0.92 -2.98 113.70 115.55 2glw s SER 61 Ca 0.00 1.90 0.01 0.00 1.31 0.00 0.00 55.95 59.16 2glw s SER 61 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 2glw s SER 61 CO 0.00 -0.30 -0.04 0.54 0.41 0.00 0.00 173.24 173.86 2glw s VAL 62 N -1.73 0.23 -0.22 3.43 0.11 -0.78 -1.72 120.40 119.72 2glw s VAL 62 Ca 0.55 -0.66 -0.05 0.00 -2.93 0.00 0.00 61.98 58.89 2glw s VAL 62 Cb -0.18 -0.30 -0.02 0.00 -1.53 0.00 0.00 36.38 34.34 2glw s VAL 62 CO 0.23 -0.28 0.01 -0.63 -3.33 0.00 0.00 175.10 171.10 2glw s ILE 63 N -0.95 3.88 0.29 7.04 -1.09 -1.26 -2.17 121.20 126.94 2glw s ILE 63 Ca -0.09 -0.33 -0.28 0.00 -2.23 0.00 0.00 60.65 57.72 2glw s ILE 63 Cb -0.07 -2.77 -0.09 0.00 -1.58 0.00 0.00 42.46 37.95 2glw s ILE 63 CO -0.00 0.40 0.97 -0.63 -1.23 0.00 0.00 174.94 174.45 2glw s ILE 64 N 1.29 4.03 0.19 2.92 1.01 -1.00 -4.93 121.20 124.71 2glw s ILE 64 Ca 0.04 1.87 -0.31 0.00 0.00 0.00 0.00 60.65 62.25 2glw s ILE 64 Cb -0.15 -4.12 -0.10 0.00 0.01 0.00 0.00 42.46 38.11 2glw s ILE 64 CO 0.01 0.31 1.51 -2.16 0.00 0.00 0.00 174.94 174.61 2glw s PRO 65 N -1.63 4.24 0.45 2.79 0.04 -1.26 -4.82 135.00 134.81 2glw s PRO 65 Ca 0.46 2.31 0.17 0.00 0.04 0.00 0.00 61.00 63.99 2glw s PRO 65 Cb -0.24 -3.15 1.12 0.00 0.04 0.00 0.00 34.50 32.28 2glw s PRO 65 CO 0.30 -0.52 1.96 1.57 0.04 0.00 0.00 177.00 180.34 2glw h LYS 66 N 6.15 0.31 -0.83 4.56 2.10 -1.94 -1.24 116.57 125.68 2glw h LYS 66 Ca -0.44 -0.02 0.03 0.00 -2.00 0.00 0.00 60.65 58.23 2glw h LYS 66 Cb 1.21 -0.07 -0.05 0.00 -0.90 0.00 0.00 32.23 32.42 2glw h LYS 66 CO 0.86 0.20 0.55 0.00 -2.00 0.00 0.00 179.45 179.06 2glw h ALA 67 N 1.69 1.49 0.02 0.07 0.00 -2.01 -1.47 119.26 119.04 2glw h ALA 67 Ca 0.31 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.97 2glw h ALA 67 Cb 0.77 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2glw h ALA 67 CO -0.08 0.43 -0.94 -0.07 0.00 0.00 0.00 179.25 178.59 2glw h LEU 68 N 1.03 0.25 -0.46 0.00 3.38 -1.62 -2.98 115.31 114.91 2glw h LEU 68 Ca 0.33 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.12 2glw h LEU 68 Cb 0.03 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2glw h LEU 68 CO -0.10 1.05 0.24 0.03 0.09 0.00 0.00 178.44 179.76 2glw h ARG 69 N 0.09 0.46 -0.08 1.13 3.08 -0.91 -1.59 114.38 116.56 2glw h ARG 69 Ca -0.05 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 2glw h ARG 69 Cb 1.59 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.54 2glw h ARG 69 CO 0.14 0.31 -0.09 0.22 -1.07 0.00 0.00 179.97 179.48 2glw h ASP 70 N 0.48 0.21 -0.78 7.04 3.58 -1.43 -1.68 116.42 123.84 2glw h ASP 70 Ca 0.20 -0.50 -0.00 0.00 0.42 0.00 0.00 57.03 57.15 2glw h ASP 70 Cb 0.09 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.05 2glw h ASP 70 CO -0.13 0.67 0.49 0.58 -2.88 0.00 0.00 179.24 177.96 2glw h VAL 71 N -0.24 1.21 0.00 2.25 2.07 -1.44 -2.41 116.25 117.71 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 0.61 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2glw h VAL 71 CO 0.02 0.22 -0.24 0.40 0.02 0.00 0.00 177.57 177.99 2glw h ILE 72 N 1.08 0.00 -1.13 4.57 2.04 -1.29 -3.48 117.51 119.31 2glw h ILE 72 Ca 0.28 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 65.32 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 -0.09 0.61 0.00 0.00 0.00 178.15 178.61 2glw n GLY 73 N 1.21 0.50 3.83 5.37 0.00 -0.67 -4.82 105.19 110.61 2glw n GLY 73 Ca 0.04 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 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 4.80 0.15 -0.61 -1.09 -0.97 -5.06 121.20 115.78 2glw s ILE 74 Ca 0.05 0.96 0.06 0.00 -2.23 0.00 0.00 60.65 59.49 2glw s ILE 74 Cb -0.02 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 2glw s ILE 74 CO 0.06 0.31 -0.13 -0.54 -1.23 0.00 0.00 174.94 173.40 2glw s LYS 75 N -1.78 1.10 0.23 2.79 1.02 -1.26 -4.90 119.74 116.94 2glw s LYS 75 Ca 0.36 -1.36 -0.31 0.00 0.02 0.00 0.00 55.97 54.68 2glw s LYS 75 Cb -0.16 -0.89 -0.13 0.00 -0.52 0.00 0.00 37.83 36.12 2glw s LYS 75 CO 0.19 0.16 1.45 -2.30 -0.92 0.00 0.00 175.35 173.93 2glw n PRO 76 N 0.18 2.11 -0.38 -1.68 -0.02 -1.26 -2.25 135.00 131.70 2glw n PRO 76 Ca -0.13 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2glw n PRO 76 Cb 0.58 -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 2.33 0.70 3.76 -1.23 0.00 -0.60 -4.96 105.19 105.18 2glw n GLY 77 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.62 4.13 -0.11 1.61 2.02 -0.95 -4.88 118.70 119.90 2glw s GLU 78 Ca 0.00 0.11 -0.19 0.00 0.02 0.00 0.00 54.97 54.91 2glw s GLU 78 Cb 0.00 -3.37 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 2glw s GLU 78 CO 0.00 0.35 0.51 0.54 0.02 0.00 0.00 175.26 176.68 2glw s VAL 79 N 0.11 5.17 0.27 2.63 0.11 -1.26 -2.19 120.40 125.23 2glw s VAL 79 Ca 0.17 1.03 0.11 0.00 -2.93 0.00 0.00 61.98 60.36 2glw s VAL 79 Cb -0.13 -3.85 -0.05 0.00 -1.53 0.00 0.00 36.38 30.82 2glw s VAL 79 CO 0.05 0.32 -0.14 0.27 -3.33 0.00 0.00 175.10 172.27 2glw s ILE 80 N 0.64 2.79 -0.18 7.04 -4.36 -0.13 -4.92 121.20 122.09 2glw s ILE 80 Ca 0.28 -2.20 -0.11 0.00 -0.26 0.00 0.00 60.65 58.35 2glw s ILE 80 Cb -0.15 -2.46 -0.05 0.00 1.25 0.00 0.00 42.46 41.04 2glw s ILE 80 CO 0.11 -0.36 0.19 -0.70 0.24 0.00 0.00 174.94 174.43 2glw s GLU 81 N -3.47 4.16 -0.14 0.37 2.12 -1.10 -2.40 118.70 118.24 2glw s GLU 81 Ca 0.30 -0.09 -0.00 0.00 0.36 0.00 0.00 54.97 55.54 2glw s GLU 81 Cb -0.06 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.92 2glw s GLU 81 CO 0.16 0.32 -0.13 0.08 -0.54 0.00 0.00 175.26 175.14 2glw s VAL 82 N 0.28 2.96 -0.13 3.70 1.01 -0.20 -1.97 120.40 126.06 2glw s VAL 82 Ca 0.12 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.42 2glw s VAL 82 Cb -0.12 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 2glw s VAL 82 CO 0.01 0.52 -0.15 -0.76 0.00 0.00 0.00 175.10 174.72 2glw s LEU 83 N 0.50 2.62 0.27 3.92 1.43 -0.26 -2.32 118.68 124.84 2glw s LEU 83 Ca -0.09 -0.36 -0.28 0.00 -1.03 0.00 0.00 54.13 52.36 2glw s LEU 83 Cb -0.16 -1.58 -0.09 0.00 0.03 0.00 0.00 46.19 44.39 2glw s LEU 83 CO 0.04 0.16 0.93 -0.76 0.23 0.00 0.00 176.35 176.96 2glw s LEU 84 N 0.37 4.54 -0.09 1.79 1.43 -0.79 -0.87 118.68 125.05 2glw s LEU 84 Ca -0.12 1.89 0.06 0.00 -1.03 0.00 0.00 54.13 54.94 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 0.71 0.00 1.79 4.77 0.82 -2.11 117.00 124.15 2glw n LEU 85 Ca -0.01 -0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 55.95 2glw n LEU 85 Cb 0.48 0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.65 2glw n LEU 85 CO 0.48 0.33 0.38 0.61 -1.33 0.00 0.00 177.39 177.85 2glw n GLY 86 N 2.59 0.95 3.17 -0.72 0.00 -0.97 -4.75 105.19 105.45 2glw n GLY 86 Ca -0.15 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 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 -4.12 0.05 0.00 1.61 -3.43 -1.26 -1.07 115.29 107.06 2glw s HIS 87 Ca 0.11 -0.23 0.02 0.00 -0.80 0.00 0.00 55.06 54.15 2glw s HIS 87 Cb -0.01 -0.03 -0.01 0.00 -1.43 0.00 0.00 32.58 31.10 2glw s HIS 87 CO 0.02 -0.40 -0.06 0.71 -2.00 0.00 0.00 174.74 173.01 2glw s TYR 88 N -2.30 0.54 0.26 0.38 2.02 0.30 -4.93 117.35 113.61 2glw s TYR 88 Ca -0.07 -0.15 0.08 0.00 -0.37 0.00 0.00 57.07 56.55 2glw s TYR 88 Cb -0.02 -0.34 -0.04 0.00 -0.40 0.00 0.00 41.96 41.16 2glw s TYR 88 CO -0.02 -0.02 0.13 -1.59 -1.57 0.00 0.00 175.55 172.48 2glw s LYS 89 N -0.34 2.72 0.45 -0.62 -2.85 -1.26 -2.28 119.74 115.57 2glw s LYS 89 Ca 0.01 -1.17 -0.24 0.00 -1.00 0.00 0.00 55.97 53.57 2glw s LYS 89 Cb -0.03 -2.44 -0.09 0.00 -2.06 0.00 0.00 37.83 33.21 2glw s LYS 89 CO -0.00 0.39 1.11 -2.30 0.10 0.00 0.00 175.35 174.64 2glw n PRO 90 N -1.09 1.49 -4.48 1.78 -0.02 -1.26 -4.97 135.00 126.45 2glw n PRO 90 Ca -0.07 0.54 -0.26 0.00 -2.02 0.00 0.00 63.50 61.68 2glw n PRO 90 Cb 0.58 -2.20 -0.13 0.00 -0.02 0.00 0.00 33.50 31.73 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 -2.23 1.33 0.00 -0.52 0.52 -1.26 -5.19 118.95 111.60 2glw s ARG 91 Ca 0.65 -1.12 0.02 0.00 -0.52 0.00 0.00 55.73 54.75 2glw s ARG 91 Cb -0.51 -1.58 0.11 0.00 0.52 0.00 0.00 34.95 33.48 2glw s ARG 91 CO 0.55 0.39 0.60 -1.71 0.02 0.00 0.00 175.30 175.15