#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 6.88 -0.03 7.83 1.01 -1.26 -5.05 116.67 126.05 2glw s ASP 2 Ca 0.00 2.15 0.04 0.00 0.71 0.00 0.00 52.55 55.45 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 -0.41 -0.15 0.54 0.21 0.00 0.00 175.17 175.36 2glw s VAL 3 N -1.47 1.22 -0.36 -1.27 0.11 -1.26 -4.67 120.40 112.70 2glw s VAL 3 Ca 0.54 -0.62 0.23 0.00 -2.93 0.00 0.00 61.98 59.19 2glw s VAL 3 Cb -0.26 -1.04 0.20 0.00 -1.53 0.00 0.00 36.38 33.74 2glw s VAL 3 CO 0.33 0.35 1.38 -0.07 -3.33 0.00 0.00 175.10 173.76 2glw h LEU 4 N 6.09 0.00 -7.00 2.54 3.38 -1.75 -3.48 115.31 115.09 2glw h LEU 4 Ca -0.34 -0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.78 2glw h LEU 4 Cb 1.17 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.70 2glw h LEU 4 CO 0.48 0.00 0.65 0.00 0.09 0.00 0.00 178.44 179.67 2glw s ALA 5 N -3.27 -1.97 -0.06 1.53 0.00 -1.26 -4.80 121.76 111.93 2glw s ALA 5 Ca 0.04 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.53 2glw s ALA 5 Cb 0.07 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.71 2glw s ALA 5 CO 0.72 -0.43 -0.04 0.21 0.00 0.00 0.00 175.76 176.22 2glw s LYS 6 N -1.74 0.90 0.15 0.00 2.20 -1.26 -1.93 119.74 118.06 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 -1.02 0.01 0.00 -1.51 0.00 0.00 37.83 35.31 2glw s LYS 6 CO -0.03 -0.17 0.36 -0.59 -0.36 0.00 0.00 175.35 174.55 2glw s PHE 7 N 1.35 0.09 -0.06 4.03 -0.71 -0.98 -5.01 117.98 116.69 2glw s PHE 7 Ca -0.04 -0.45 0.03 0.00 -1.04 0.00 0.00 56.93 55.42 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 -0.74 -0.13 -1.01 -1.34 0.00 0.00 175.22 171.98 2glw s HIS 8 N -3.89 2.76 0.14 3.49 3.76 -1.26 -0.97 115.29 119.31 2glw s HIS 8 Ca 0.10 -0.17 -0.13 0.00 -0.15 0.00 0.00 55.06 54.71 2glw s HIS 8 Cb 0.02 -1.67 0.02 0.00 1.11 0.00 0.00 32.58 32.06 2glw s HIS 8 CO -0.05 0.17 0.36 -0.08 -0.85 0.00 0.00 174.74 174.29 2glw s THR 9 N -0.63 0.07 0.26 1.30 -1.32 -0.99 -4.96 115.64 109.38 2glw s THR 9 Ca 0.09 -0.94 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 -0.34 0.04 0.28 -2.21 0.00 0.00 174.62 172.40 2glw s THR 10 N -3.87 3.67 0.23 5.08 -1.32 -1.26 -1.03 115.64 117.14 2glw s THR 10 Ca 0.08 -1.78 -0.30 0.00 -1.21 0.00 0.00 61.69 58.48 2glw s THR 10 Cb 0.02 -2.96 -0.09 0.00 -1.51 0.00 0.00 72.50 67.96 2glw s THR 10 CO -0.07 -0.36 1.02 -0.69 -2.21 0.00 0.00 174.62 172.31 2glw s VAL 11 N -2.25 3.91 0.44 5.08 1.01 -0.93 -4.76 120.40 122.90 2glw s VAL 11 Ca 0.31 1.83 0.06 0.00 0.00 0.00 0.00 61.98 64.18 2glw s VAL 11 Cb -0.07 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 2glw s VAL 11 CO 0.21 0.40 0.06 -1.00 0.00 0.00 0.00 175.10 174.77 2glw s HIS 12 N -0.87 2.37 0.66 5.22 3.76 -0.76 -1.56 115.29 124.11 2glw s HIS 12 Ca 0.44 -0.72 -0.17 0.00 -0.15 0.00 0.00 55.06 54.46 2glw s HIS 12 Cb -0.28 -1.79 -0.09 0.00 1.11 0.00 0.00 32.58 31.53 2glw s HIS 12 CO 0.35 0.31 0.19 0.54 -0.85 0.00 0.00 174.74 175.29 2glw n ARG 13 N -1.12 0.22 -0.89 1.40 1.74 -1.26 -1.35 116.66 115.41 2glw n ARG 13 Ca -0.07 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2glw n ARG 13 Cb 0.66 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 2glw n ARG 13 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2glw n ILE 14 N -2.00 0.00 -1.05 0.55 5.41 -1.26 -2.31 119.36 118.71 2glw n ILE 14 Ca 0.08 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.82 2glw n ILE 14 Cb 0.49 -0.75 -0.01 0.00 -0.71 0.00 0.00 39.64 38.66 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 0.53 3.82 7.39 0.00 -0.46 -4.82 105.19 111.48 2glw n GLY 15 Ca 0.00 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 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 4.23 0.09 1.61 3.52 -0.98 -2.50 118.95 123.46 2glw s ARG 16 Ca 0.00 0.88 0.04 0.00 -0.13 0.00 0.00 55.73 56.52 2glw s ARG 16 Cb 0.00 -2.74 -0.03 0.00 -1.56 0.00 0.00 34.95 30.61 2glw s ARG 16 CO 0.00 0.31 -0.10 0.96 -0.81 0.00 0.00 175.30 175.66 2glw s ILE 17 N -1.66 0.93 -0.14 4.11 -4.36 -0.73 -1.83 121.20 117.51 2glw s ILE 17 Ca 0.47 -1.60 0.00 0.00 -0.26 0.00 0.00 60.65 59.26 2glw s ILE 17 Cb -0.15 -1.31 -0.01 0.00 1.25 0.00 0.00 42.46 42.24 2glw s ILE 17 CO 0.20 -0.54 -0.14 -0.63 0.24 0.00 0.00 174.94 174.07 2glw s ILE 18 N -2.34 2.88 0.33 8.37 -1.09 -1.26 -1.75 121.20 126.33 2glw s ILE 18 Ca 0.04 -0.71 -0.26 0.00 -2.23 0.00 0.00 60.65 57.49 2glw s ILE 18 Cb -0.03 -2.21 -0.10 0.00 -1.58 0.00 0.00 42.46 38.54 2glw s ILE 18 CO 0.00 0.52 0.95 -0.63 -1.23 0.00 0.00 174.94 174.54 2glw s ILE 19 N 0.55 4.22 0.43 2.92 1.01 -1.16 -4.97 121.20 124.20 2glw s ILE 19 Ca -0.09 1.81 -0.26 0.00 0.00 0.00 0.00 60.65 62.11 2glw s ILE 19 Cb -0.16 -3.99 -0.09 0.00 0.01 0.00 0.00 42.46 38.24 2glw s ILE 19 CO 0.04 0.12 1.38 -2.16 0.00 0.00 0.00 174.94 174.31 2glw s PRO 20 N -2.11 3.83 0.56 2.79 0.04 -1.26 -4.86 135.00 134.00 2glw s PRO 20 Ca 0.51 2.31 0.25 0.00 0.04 0.00 0.00 61.00 64.11 2glw s PRO 20 Cb -0.18 -2.72 1.55 0.00 0.04 0.00 0.00 34.50 33.19 2glw s PRO 20 CO 0.23 -0.66 2.12 0.00 0.04 0.00 0.00 177.00 178.73 2glw h ALA 21 N 2.51 1.93 -0.43 8.56 0.00 -1.95 -1.68 119.26 128.21 2glw h ALA 21 Ca -0.50 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 2glw h ALA 21 Cb 1.26 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2glw h ALA 21 CO 0.62 -0.25 0.11 0.78 0.00 0.00 0.00 179.25 180.51 2glw h GLY 22 N 0.00 0.75 1.31 0.00 0.00 -2.00 -2.29 103.07 100.83 2glw h GLY 22 Ca 0.08 -0.47 -0.15 0.00 0.00 0.00 0.00 47.33 46.79 2glw h GLY 22 CO -0.00 0.43 -0.44 -0.84 0.00 0.00 0.00 176.54 175.69 2glw h THR 23 N 0.57 1.29 -0.93 4.70 2.02 -1.68 -2.59 112.91 116.28 2glw h THR 23 Ca 0.14 -1.63 0.09 0.00 0.77 0.00 0.00 66.41 65.78 2glw h THR 23 Cb 0.31 1.53 -0.07 0.00 -1.74 0.00 0.00 68.15 68.18 2glw h THR 23 CO 0.00 0.53 0.58 0.03 0.37 0.00 0.00 175.52 177.02 2glw h ARG 24 N 0.60 0.95 0.01 6.66 3.08 -1.32 -1.83 114.38 122.53 2glw h ARG 24 Ca 0.04 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2glw h ARG 24 Cb 1.00 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2glw h ARG 24 CO 0.09 0.63 -0.00 -0.22 -1.07 0.00 0.00 179.97 179.40 2glw h LYS 25 N 0.98 -0.01 -0.89 0.04 3.64 -1.16 0.57 116.57 119.75 2glw h LYS 25 Ca 0.44 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.88 2glw h LYS 25 Cb 0.33 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.09 2glw h LYS 25 CO -0.22 0.26 0.58 0.35 -2.27 0.00 0.00 179.45 178.14 2glw h PHE 26 N -0.27 1.02 0.00 1.91 3.57 -1.08 -2.11 116.94 119.98 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 0.27 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2glw h PHE 26 CO 0.01 0.53 -0.53 0.98 -2.23 0.00 0.00 178.31 177.08 2glw n TYR 27 N -4.49 0.53 -2.60 0.41 4.19 -0.73 -4.96 117.16 109.50 2glw n TYR 27 Ca 0.13 0.15 -0.04 0.00 3.31 0.00 0.00 57.90 61.45 2glw n TYR 27 Cb 0.20 -0.64 0.02 0.00 0.49 0.00 0.00 39.34 39.41 2glw n TYR 27 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2glw n GLY 28 N 1.35 0.55 3.70 2.98 0.00 0.07 -5.01 105.19 108.84 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 5.05 0.17 -0.61 1.01 -0.45 -5.04 121.20 118.27 2glw s ILE 29 Ca 0.09 1.34 0.07 0.00 0.00 0.00 0.00 60.65 62.15 2glw s ILE 29 Cb -0.04 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 2glw s ILE 29 CO 0.15 0.22 -0.14 -1.61 0.00 0.00 0.00 174.94 173.56 2glw s GLU 30 N 1.06 1.21 0.36 2.79 2.02 -1.26 -4.87 118.70 120.01 2glw s GLU 30 Ca 0.34 -1.47 -0.28 0.00 0.02 0.00 0.00 54.97 53.58 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 0.15 0.17 1.37 0.94 0.02 0.00 0.00 175.26 177.91 2glw n GLN 31 N -0.08 2.33 0.00 1.61 7.27 -1.26 -2.03 117.38 125.21 2glw n GLN 31 Ca -0.10 0.82 0.00 0.00 0.07 0.00 0.00 57.00 57.78 2glw n GLN 31 Cb 0.59 -2.47 0.00 0.00 2.41 0.00 0.00 30.24 30.78 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 0.64 2.39 3.83 1.69 0.00 -0.98 -5.01 105.19 107.75 2glw n GLY 32 Ca 0.03 0.00 -0.32 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 -1.63 5.88 -0.07 1.61 1.01 -0.86 -4.83 116.67 117.78 2glw s ASP 33 Ca 0.00 1.62 0.01 0.00 0.71 0.00 0.00 52.55 54.89 2glw s ASP 33 Cb 0.00 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 2glw s ASP 33 CO 0.00 -1.10 -0.10 -0.36 0.21 0.00 0.00 175.17 173.82 2glw s PHE 34 N -2.85 2.85 0.11 4.23 0.40 -0.94 -1.56 117.98 120.22 2glw s PHE 34 Ca 0.59 -0.10 0.05 0.00 -0.60 0.00 0.00 56.93 56.87 2glw s PHE 34 Cb -0.13 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.66 2glw s PHE 34 CO 0.46 0.22 -0.13 0.14 0.70 0.00 0.00 175.22 176.62 2glw s VAL 35 N -0.64 1.19 -0.17 -0.44 -7.23 -0.72 -0.55 120.40 111.83 2glw s VAL 35 Ca 0.10 -1.68 -0.01 0.00 -1.81 0.00 0.00 61.98 58.58 2glw s VAL 35 Cb -0.11 -1.46 -0.00 0.00 0.56 0.00 0.00 36.38 35.37 2glw s VAL 35 CO 0.01 -0.46 -0.13 -0.70 -0.31 0.00 0.00 175.10 173.51 2glw s GLU 36 N -2.68 3.24 0.05 4.82 2.12 -0.40 -1.75 118.70 124.10 2glw s GLU 36 Ca 0.07 -0.72 -0.01 0.00 0.36 0.00 0.00 54.97 54.67 2glw s GLU 36 Cb -0.04 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 2glw s GLU 36 CO 0.02 -0.05 -0.03 -1.50 -0.54 0.00 0.00 175.26 173.16 2glw s ILE 37 N 1.00 0.22 0.03 -3.70 2.07 -0.91 -0.22 121.20 119.69 2glw s ILE 37 Ca -0.01 -1.70 0.03 0.00 -1.41 0.00 0.00 60.65 57.55 2glw s ILE 37 Cb -0.15 -1.37 -0.02 0.00 0.13 0.00 0.00 42.46 41.05 2glw s ILE 37 CO -0.02 -0.94 -0.10 -0.75 -1.91 0.00 0.00 174.94 171.22 2glw s LYS 38 N -3.62 0.69 0.13 3.50 2.20 -0.12 -2.09 119.74 120.42 2glw s LYS 38 Ca 0.04 -0.65 0.08 0.00 -0.36 0.00 0.00 55.97 55.09 2glw s LYS 38 Cb 0.06 -0.61 -0.04 0.00 -1.51 0.00 0.00 37.83 35.73 2glw s LYS 38 CO -0.09 0.14 -0.14 0.96 -0.36 0.00 0.00 175.35 175.87 2glw s ILE 39 N -0.90 3.08 -0.04 5.43 -4.36 -0.16 -1.15 121.20 123.10 2glw s ILE 39 Ca -0.02 -1.46 -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 41.22 2glw s ILE 39 CO 0.01 0.06 0.04 -0.69 0.24 0.00 0.00 174.94 174.59 2glw s VAL 40 N -1.29 0.02 0.04 8.37 1.01 -0.76 -2.08 120.40 125.70 2glw s VAL 40 Ca 0.21 0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.50 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 0.17 -0.11 -0.75 0.00 0.00 0.00 175.10 174.53 2glw s LYS 41 N 1.71 0.72 -0.19 2.72 2.20 -0.69 -2.70 119.74 123.51 2glw s LYS 41 Ca -0.01 -0.71 -0.09 0.00 -0.36 0.00 0.00 55.97 54.80 2glw s LYS 41 Cb -0.13 -0.65 -0.04 0.00 -1.51 0.00 0.00 37.83 35.50 2glw s LYS 41 CO -0.03 0.15 0.09 -0.47 -0.36 0.00 0.00 175.35 174.73 2glw s TYR 42 N -0.98 3.32 -0.02 4.03 5.04 -1.26 -0.73 117.35 126.74 2glw s TYR 42 Ca -0.02 0.18 0.01 0.00 -2.44 0.00 0.00 57.07 54.80 2glw s TYR 42 Cb -0.08 -2.12 0.01 0.00 0.35 0.00 0.00 41.96 40.12 2glw s TYR 42 CO 0.01 0.20 -0.05 -1.21 -1.34 0.00 0.00 175.55 173.17 2glw s GLU 43 N 0.39 0.61 7.96 4.97 2.02 -1.04 -4.95 118.70 128.67 2glw s GLU 43 Ca 0.05 -0.14 0.00 0.00 0.02 0.00 0.00 54.97 54.91 2glw s GLU 43 Cb -0.12 -0.63 0.00 0.00 0.10 0.00 0.00 34.13 33.48 2glw s GLU 43 CO -0.01 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.70 2glw n GLY 44 N 3.54 3.76 1.02 -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 2.77 -4.49 1.61 0.28 -1.26 -4.97 120.64 128.59 2glw n GLU 45 Ca 0.00 -2.37 -0.21 0.00 -0.16 0.00 0.00 57.16 54.43 2glw n GLU 45 Cb 0.00 -1.43 -0.15 0.00 1.43 0.00 0.00 31.44 31.29 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 -1.01 1.00 0.24 3.44 -1.05 -0.81 -5.13 118.70 115.39 2glw s GLU 46 Ca 0.37 -0.39 -0.30 0.00 -0.15 0.00 0.00 54.97 54.50 2glw s GLU 46 Cb 0.19 -0.94 -0.09 0.00 -0.44 0.00 0.00 34.13 32.85 2glw s GLU 46 CO 0.25 0.21 1.09 -2.14 0.95 0.00 0.00 175.26 175.61 2glw s PRO 47 N -0.11 4.65 -0.09 -4.83 0.02 -1.26 -2.49 135.00 130.89 2glw s PRO 47 Ca 0.02 1.75 -0.01 0.00 0.02 0.00 0.00 61.00 62.78 2glw s PRO 47 Cb -0.06 -3.22 -0.03 0.00 0.02 0.00 0.00 34.50 31.20 2glw s PRO 47 CO -0.00 0.20 -0.05 0.15 -0.33 0.00 0.00 177.00 176.97 2glw s LYS 48 N -1.09 3.00 0.15 5.54 -0.14 0.09 -4.94 119.74 122.36 2glw s LYS 48 Ca 0.46 -0.51 0.02 0.00 -1.36 0.00 0.00 55.97 54.57 2glw s LYS 48 Cb -0.31 -2.70 -0.04 0.00 -1.68 0.00 0.00 37.83 33.10 2glw s LYS 48 CO 0.38 0.58 -0.01 -1.21 -0.76 0.00 0.00 175.35 174.33 2glw s GLU 49 N -0.56 1.01 -0.26 1.68 2.02 -1.26 -1.70 118.70 119.63 2glw s GLU 49 Ca 0.09 -1.47 -0.20 0.00 0.02 0.00 0.00 54.97 53.40 2glw s GLU 49 Cb -0.12 -0.20 0.07 0.00 0.10 0.00 0.00 34.13 33.98 2glw s GLU 49 CO 0.02 -0.11 0.68 0.20 0.02 0.00 0.00 175.26 176.07 2glw s GLY 50 N -3.12 -0.55 -0.03 -1.39 0.00 -0.88 -4.82 107.32 96.52 2glw s GLY 50 Ca 0.20 2.10 0.06 0.00 0.00 0.00 0.00 44.72 47.08 2glw s GLY 50 CO 0.01 1.94 -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 -1.44 0.02 0.00 0.01 0.00 0.00 72.50 71.04 2glw s THR 51 CO -0.07 0.49 0.64 0.72 -0.69 0.00 0.00 174.62 175.70 2glw s PHE 52 N -0.34 0.20 -0.06 4.92 -0.71 -0.89 -5.02 117.98 116.08 2glw s PHE 52 Ca 0.04 -0.66 -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 42.17 2glw s PHE 52 CO 0.01 -1.24 -0.00 0.99 -1.34 0.00 0.00 175.22 173.64 2glw s THR 53 N -3.45 4.24 0.00 -4.49 2.01 -1.26 -2.15 115.64 110.54 2glw s THR 53 Ca 0.18 -0.35 -0.02 0.00 0.31 0.00 0.00 61.69 61.81 2glw s THR 53 Cb -0.04 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 69.66 2glw s THR 53 CO 0.10 0.54 0.02 0.00 -0.69 0.00 0.00 174.62 174.60 2glw s ALA 54 N -0.93 -0.03 0.10 7.40 0.00 -0.72 -5.01 121.76 122.57 2glw s ALA 54 Ca 0.15 -0.25 -0.11 0.00 0.00 0.00 0.00 51.96 51.75 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 0.04 -0.11 0.44 0.50 0.00 0.00 0.00 175.76 176.63 2glw s ARG 55 N -0.89 3.82 -0.09 0.00 3.52 -1.26 -1.75 118.95 122.30 2glw s ARG 55 Ca -0.10 0.27 -0.30 0.00 -0.13 0.00 0.00 55.73 55.47 2glw s ARG 55 Cb -0.06 -2.97 -0.02 0.00 -1.56 0.00 0.00 34.95 30.34 2glw s ARG 55 CO -0.00 0.53 1.03 0.08 -0.81 0.00 0.00 175.30 176.13 2glw s VAL 56 N -1.42 4.73 0.02 7.11 1.01 -0.60 -4.72 120.40 126.53 2glw s VAL 56 Ca 0.35 1.99 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 0.03 0.61 0.00 0.00 0.00 175.10 175.94 2glw n GLY 57 N 3.11 2.17 3.71 4.51 0.00 -0.89 -2.33 105.19 115.47 2glw n GLY 57 Ca 0.09 -2.14 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 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 -2.10 1.83 -1.60 1.61 2.56 -1.26 -2.33 118.70 117.41 2glw s GLU 58 Ca 0.02 1.71 0.00 0.00 0.00 0.00 0.00 54.97 56.70 2glw s GLU 58 Cb -0.00 -1.80 0.00 0.00 2.00 0.00 0.00 34.13 34.33 2glw s GLU 58 CO 0.01 -2.06 0.00 1.04 -0.56 0.00 0.00 175.26 173.70 2glw n GLN 59 N -3.14 -1.37 -1.26 4.30 1.13 -1.26 -2.19 117.38 113.59 2glw n GLN 59 Ca 0.13 0.90 -0.07 0.00 -1.94 0.00 0.00 57.00 56.02 2glw n GLN 59 Cb 0.51 -5.18 -0.03 0.00 0.11 0.00 0.00 30.24 25.65 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 -0.25 0.89 3.78 1.08 0.00 -0.98 -4.66 105.19 105.03 2glw n GLY 60 Ca -0.15 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 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 7.18 0.02 1.61 0.01 -0.93 -2.96 113.70 115.71 2glw s SER 61 Ca 0.00 1.96 0.01 0.00 1.31 0.00 0.00 55.95 59.22 2glw s SER 61 Cb 0.00 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 2glw s SER 61 CO 0.00 -0.19 -0.04 0.54 0.41 0.00 0.00 173.24 173.96 2glw s VAL 62 N -1.55 0.25 -0.20 3.43 0.11 -0.72 -2.08 120.40 119.65 2glw s VAL 62 Ca 0.51 -0.63 -0.03 0.00 -2.93 0.00 0.00 61.98 58.90 2glw s VAL 62 Cb -0.22 -0.31 -0.01 0.00 -1.53 0.00 0.00 36.38 34.31 2glw s VAL 62 CO 0.27 -0.24 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.12 2glw s ILE 63 N -0.87 3.47 0.33 7.04 -1.09 -1.26 -1.77 121.20 127.05 2glw s ILE 63 Ca -0.08 -0.47 -0.26 0.00 -2.23 0.00 0.00 60.65 57.61 2glw s ILE 63 Cb -0.06 -2.56 -0.10 0.00 -1.58 0.00 0.00 42.46 38.17 2glw s ILE 63 CO -0.00 0.44 0.98 -0.63 -1.23 0.00 0.00 174.94 174.50 2glw s ILE 64 N 1.13 4.04 0.28 2.92 1.01 -1.04 -4.92 121.20 124.63 2glw s ILE 64 Ca 0.02 1.73 -0.29 0.00 0.00 0.00 0.00 60.65 62.10 2glw s ILE 64 Cb -0.15 -3.98 -0.10 0.00 0.01 0.00 0.00 42.46 38.25 2glw s ILE 64 CO -0.00 0.17 1.42 -2.16 0.00 0.00 0.00 174.94 174.36 2glw s PRO 65 N -2.00 4.27 0.43 2.79 0.04 -1.26 -4.84 135.00 134.42 2glw s PRO 65 Ca 0.50 2.32 0.15 0.00 0.04 0.00 0.00 61.00 64.00 2glw s PRO 65 Cb -0.21 -3.08 1.03 0.00 0.04 0.00 0.00 34.50 32.28 2glw s PRO 65 CO 0.27 -0.38 1.94 -0.22 0.04 0.00 0.00 177.00 178.64 2glw h LYS 66 N 4.44 0.42 -0.84 4.56 3.64 -1.94 -1.23 116.57 125.63 2glw h LYS 66 Ca -0.47 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 58.91 2glw h LYS 66 Cb 1.22 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.90 2glw h LYS 66 CO 0.74 0.28 0.55 0.00 -2.27 0.00 0.00 179.45 178.74 2glw h ALA 67 N 1.66 1.47 0.02 5.00 0.00 -2.01 -1.93 119.26 123.47 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 0.73 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2glw h ALA 67 CO -0.11 0.45 -0.95 -0.07 0.00 0.00 0.00 179.25 178.58 2glw h LEU 68 N 1.05 0.25 -0.51 0.00 3.38 -1.61 -2.99 115.31 114.89 2glw h LEU 68 Ca 0.33 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.11 2glw h LEU 68 Cb 0.01 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 2glw h LEU 68 CO -0.09 1.06 0.29 0.03 0.09 0.00 0.00 178.44 179.81 2glw h ARG 69 N 0.09 0.55 -0.13 1.13 3.08 -1.00 -1.98 114.38 116.12 2glw h ARG 69 Ca -0.05 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 2glw h ARG 69 Cb 1.61 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.53 2glw h ARG 69 CO 0.14 0.37 -0.14 -0.44 -1.07 0.00 0.00 179.97 178.83 2glw h ASP 70 N 0.57 0.35 -0.83 7.04 3.32 -1.46 -1.47 116.42 123.94 2glw h ASP 70 Ca 0.21 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2glw h ASP 70 Cb 0.05 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 2glw h ASP 70 CO -0.11 0.77 0.52 0.58 -1.72 0.00 0.00 179.24 179.29 2glw h VAL 71 N -0.06 1.22 0.00 -1.35 2.07 -1.43 -2.24 116.25 114.46 2glw h VAL 71 Ca 0.02 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2glw h VAL 71 Cb 0.68 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2glw h VAL 71 CO 0.03 0.23 -0.22 0.40 0.02 0.00 0.00 177.57 178.03 2glw h ILE 72 N 1.14 0.00 -1.17 4.57 2.04 -1.35 -3.48 117.51 119.26 2glw h ILE 72 Ca 0.30 -0.75 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 2glw h ILE 72 Cb -0.09 1.62 0.01 0.00 -0.74 0.00 0.00 36.82 37.63 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 1.22 0.47 3.85 5.37 0.00 -0.60 -4.87 105.19 110.63 2glw n GLY 73 Ca 0.04 -0.63 -0.37 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 -2.62 5.03 0.18 -0.61 -1.09 -0.93 -5.06 121.20 116.09 2glw s ILE 74 Ca 0.05 0.71 0.04 0.00 -2.23 0.00 0.00 60.65 59.22 2glw s ILE 74 Cb -0.02 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 2glw s ILE 74 CO 0.06 0.44 -0.06 -1.59 -1.23 0.00 0.00 174.94 172.56 2glw s LYS 75 N -1.47 1.16 0.32 2.79 -2.85 -1.26 -4.87 119.74 113.57 2glw s LYS 75 Ca 0.29 -1.54 -0.29 0.00 -1.00 0.00 0.00 55.97 53.43 2glw s LYS 75 Cb -0.16 -0.61 -0.12 0.00 -2.06 0.00 0.00 37.83 34.88 2glw s LYS 75 CO 0.16 0.01 1.38 -0.35 0.10 0.00 0.00 175.35 176.65 2glw n PRO 76 N -0.28 2.25 -0.25 1.78 -0.04 -1.26 -2.43 135.00 134.77 2glw n PRO 76 Ca -0.08 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 2glw n PRO 76 Cb 0.62 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 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 1.24 0.76 3.75 0.55 0.00 -0.60 -4.95 105.19 105.95 2glw n GLY 77 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.66 4.14 -0.08 1.61 2.02 -1.02 -4.87 118.70 119.85 2glw s GLU 78 Ca 0.00 0.07 -0.17 0.00 0.02 0.00 0.00 54.97 54.89 2glw s GLU 78 Cb 0.00 -3.38 -0.05 0.00 0.10 0.00 0.00 34.13 30.80 2glw s GLU 78 CO 0.00 0.33 0.45 0.54 0.02 0.00 0.00 175.26 176.60 2glw s VAL 79 N 0.18 5.12 0.22 2.63 0.11 -1.26 -2.18 120.40 125.22 2glw s VAL 79 Ca 0.16 0.91 0.09 0.00 -2.93 0.00 0.00 61.98 60.21 2glw s VAL 79 Cb -0.13 -3.78 -0.05 0.00 -1.53 0.00 0.00 36.38 30.89 2glw s VAL 79 CO 0.04 0.42 -0.16 0.27 -3.33 0.00 0.00 175.10 172.33 2glw s ILE 80 N 0.02 1.95 -0.17 7.04 -4.36 -0.20 -4.92 121.20 120.56 2glw s ILE 80 Ca 0.25 -2.24 -0.10 0.00 -0.26 0.00 0.00 60.65 58.30 2glw s ILE 80 Cb -0.16 -2.09 -0.05 0.00 1.25 0.00 0.00 42.46 41.41 2glw s ILE 80 CO 0.11 -0.51 0.18 -0.70 0.24 0.00 0.00 174.94 174.26 2glw s GLU 81 N -3.52 4.06 -0.11 0.37 2.12 -1.10 -2.33 118.70 118.19 2glw s GLU 81 Ca 0.24 -0.11 0.02 0.00 0.36 0.00 0.00 54.97 55.48 2glw s GLU 81 Cb -0.02 -3.37 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 2glw s GLU 81 CO 0.09 0.39 -0.17 0.08 -0.54 0.00 0.00 175.26 175.11 2glw s VAL 82 N 0.08 2.75 -0.11 3.70 1.01 -0.15 -1.84 120.40 125.84 2glw s VAL 82 Ca 0.12 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.34 2glw s VAL 82 Cb -0.12 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.14 2glw s VAL 82 CO 0.01 0.54 -0.20 -0.76 0.00 0.00 0.00 175.10 174.69 2glw s LEU 83 N 0.18 2.31 0.28 3.92 1.43 -0.30 -2.32 118.68 124.18 2glw s LEU 83 Ca -0.10 -0.48 -0.28 0.00 -1.03 0.00 0.00 54.13 52.24 2glw s LEU 83 Cb -0.16 -1.48 -0.09 0.00 0.03 0.00 0.00 46.19 44.49 2glw s LEU 83 CO 0.06 0.15 0.94 -0.76 0.23 0.00 0.00 176.35 176.97 2glw s LEU 84 N 0.39 4.49 -0.01 1.79 1.43 -0.81 -0.95 118.68 125.00 2glw s LEU 84 Ca -0.15 1.89 0.02 0.00 -1.03 0.00 0.00 54.13 54.85 2glw s LEU 84 Cb -0.17 -3.82 -0.03 0.00 0.03 0.00 0.00 46.19 42.20 2glw s LEU 84 CO 0.07 0.04 0.02 0.18 0.23 0.00 0.00 176.35 176.89 2glw n LEU 85 N 1.01 0.00 -3.89 1.79 4.77 0.69 -2.18 117.00 119.19 2glw n LEU 85 Ca -0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 2glw n LEU 85 Cb 0.49 0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.63 2glw n LEU 85 CO 0.47 0.03 0.78 -0.83 -1.33 0.00 0.00 177.39 176.51 2glw s GLY 86 N -2.93 0.19 0.00 -0.72 0.00 -0.96 -4.81 107.32 98.09 2glw s GLY 86 Ca -0.01 -0.45 -0.10 0.00 0.00 0.00 0.00 44.72 44.16 2glw s GLY 86 CO 0.09 2.27 0.20 -2.38 0.00 0.00 0.00 173.10 173.28 2glw s HIS 87 N -2.08 -0.02 -0.01 1.90 -3.43 -1.26 -1.27 115.29 109.12 2glw s HIS 87 Ca 0.22 -0.04 0.02 0.00 -0.80 0.00 0.00 55.06 54.45 2glw s HIS 87 Cb -0.03 -0.00 -0.00 0.00 -1.43 0.00 0.00 32.58 31.11 2glw s HIS 87 CO 0.07 -0.34 -0.05 0.71 -2.00 0.00 0.00 174.74 173.12 2glw s TYR 88 N -1.56 0.50 0.20 0.38 2.02 0.28 -4.94 117.35 114.23 2glw s TYR 88 Ca -0.13 -0.10 0.09 0.00 -0.37 0.00 0.00 57.07 56.57 2glw s TYR 88 Cb -0.06 -0.34 -0.04 0.00 -0.40 0.00 0.00 41.96 41.11 2glw s TYR 88 CO 0.02 -0.02 -0.18 0.15 -1.57 0.00 0.00 175.55 173.94 2glw s LYS 89 N -0.03 1.39 0.48 -0.62 1.02 -1.26 -2.21 119.74 118.50 2glw s LYS 89 Ca 0.01 -1.54 -0.23 0.00 0.02 0.00 0.00 55.97 54.23 2glw s LYS 89 Cb -0.03 -1.40 -0.08 0.00 -0.52 0.00 0.00 37.83 35.79 2glw s LYS 89 CO -0.00 0.27 1.17 -2.30 -0.92 0.00 0.00 175.35 173.57 2glw n PRO 90 N -0.08 1.57 -4.79 -1.68 -0.02 -1.26 -5.02 135.00 123.72 2glw n PRO 90 Ca -0.10 0.57 -0.24 0.00 -2.02 0.00 0.00 63.50 61.71 2glw n PRO 90 Cb 0.58 -2.30 -0.15 0.00 -0.02 0.00 0.00 33.50 31.61 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 -2.39 1.37 0.00 -0.52 3.52 -1.26 -5.22 118.95 114.46 2glw s ARG 91 Ca 0.66 -0.60 0.00 0.00 -0.13 0.00 0.00 55.73 55.66 2glw s ARG 91 Cb -0.49 -1.32 0.00 0.00 -1.56 0.00 0.00 34.95 31.59 2glw s ARG 91 CO 0.54 0.35 0.00 -1.71 -0.81 0.00 0.00 175.30 173.67