#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sh9 s GLN 2 N 0.00 3.93 -0.21 0.54 0.74 -1.26 -5.07 119.66 118.33 1sh9 s GLN 2 Ca 0.00 0.31 0.02 0.00 0.05 0.00 0.00 55.36 55.73 1sh9 s GLN 2 Cb 0.00 -3.26 0.04 0.00 1.10 0.00 0.00 33.01 30.89 1sh9 s GLN 2 CO 0.00 0.60 -0.15 0.42 -0.55 0.00 0.00 175.29 175.61 1sh9 s ILE 3 N -0.74 2.04 0.74 -2.34 -1.09 -1.26 -5.11 121.20 113.44 1sh9 s ILE 3 Ca 0.22 -1.22 -0.12 0.00 -2.23 0.00 0.00 60.65 57.30 1sh9 s ILE 3 Cb -0.15 -2.00 0.03 0.00 -1.58 0.00 0.00 42.46 38.75 1sh9 s ILE 3 CO 0.11 0.26 1.11 0.42 -1.23 0.00 0.00 174.94 175.61 1sh9 s THR 4 N 1.23 3.24 -0.25 2.92 -4.23 -1.26 -5.00 115.64 112.29 1sh9 s THR 4 Ca -0.01 0.40 0.10 0.00 -1.18 0.00 0.00 61.69 61.00 1sh9 s THR 4 Cb -0.16 -3.34 0.47 0.00 1.34 0.00 0.00 72.50 70.81 1sh9 s THR 4 CO -0.09 -0.53 1.38 0.18 -0.54 0.00 0.00 174.62 175.02 1sh9 n LEU 5 N -3.14 3.62 0.00 4.79 4.77 -1.26 -4.52 117.00 121.26 1sh9 n LEU 5 Ca 0.07 -3.73 0.14 0.00 -0.03 0.00 0.00 56.01 52.47 1sh9 n LEU 5 Cb 0.57 -0.59 0.71 0.00 -2.33 0.00 0.00 43.42 41.78 1sh9 n LEU 5 CO 0.57 1.23 1.00 0.79 -1.33 0.00 0.00 177.39 179.66 1sh9 n TRP 6 N -1.10 0.00 -4.15 -1.77 7.02 -1.26 -4.77 117.44 111.41 1sh9 n TRP 6 Ca 0.28 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.66 1sh9 n TRP 6 Cb 0.91 -0.37 -0.10 0.00 -2.42 0.00 0.00 31.31 29.33 1sh9 n TRP 6 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1sh9 s GLN 7 N -2.73 0.85 0.22 -0.99 -0.21 -1.26 -5.12 119.66 110.41 1sh9 s GLN 7 Ca 0.23 -1.37 -0.31 0.00 0.02 0.00 0.00 55.36 53.94 1sh9 s GLN 7 Cb 0.20 0.03 -0.10 0.00 1.00 0.00 0.00 33.01 34.14 1sh9 s GLN 7 CO 0.49 -0.14 1.52 1.03 -2.12 0.00 0.00 175.29 176.07 1sh9 s ARG 8 N -3.94 4.22 -1.20 2.91 0.52 -1.26 -4.87 118.95 115.33 1sh9 s ARG 8 Ca 0.16 2.37 -0.21 0.00 -0.52 0.00 0.00 55.73 57.53 1sh9 s ARG 8 Cb 0.07 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.38 1sh9 s ARG 8 CO -0.03 -0.53 1.88 -0.35 0.02 0.00 0.00 175.30 176.29 1sh9 n PRO 9 N 3.02 2.12 -3.55 3.54 -0.04 -1.26 -4.94 135.00 133.90 1sh9 n PRO 9 Ca 0.10 -2.68 -0.37 0.00 -0.04 0.00 0.00 63.50 60.51 1sh9 n PRO 9 Cb 0.39 -3.60 -0.06 0.00 -0.04 0.00 0.00 33.50 30.19 1sh9 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1sh9 s LEU 10 N 8.10 4.38 0.11 1.53 1.43 -1.26 -0.70 118.68 132.27 1sh9 s LEU 10 Ca 0.63 0.75 0.06 0.00 -1.03 0.00 0.00 54.13 54.53 1sh9 s LEU 10 Cb 0.02 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 1sh9 s LEU 10 CO 0.11 0.24 -0.14 0.68 0.23 0.00 0.00 176.35 177.47 1sh9 s VAL 11 N -0.46 1.30 -0.03 -1.59 -7.23 -0.07 -4.96 120.40 107.36 1sh9 s VAL 11 Ca 0.21 -1.63 -0.21 0.00 -1.81 0.00 0.00 61.98 58.54 1sh9 s VAL 11 Cb -0.15 -1.44 -0.05 0.00 0.56 0.00 0.00 36.38 35.30 1sh9 s VAL 11 CO 0.09 -0.37 0.61 -0.89 -0.31 0.00 0.00 175.10 174.23 1sh9 s THR 12 N -1.94 4.96 0.09 5.32 2.01 -1.26 -1.09 115.64 123.73 1sh9 s THR 12 Ca 0.07 1.27 0.09 0.00 0.31 0.00 0.00 61.69 63.42 1sh9 s THR 12 Cb -0.06 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1sh9 s THR 12 CO 0.03 0.37 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.50 1sh9 s ILE 13 N 0.12 2.67 -0.25 1.82 1.09 0.34 -2.70 121.20 124.29 1sh9 s ILE 13 Ca 0.32 -1.44 0.01 0.00 -1.10 0.00 0.00 60.65 58.44 1sh9 s ILE 13 Cb -0.18 -2.18 0.07 0.00 -1.06 0.00 0.00 42.46 39.11 1sh9 s ILE 13 CO 0.17 0.19 -0.02 -0.75 -0.10 0.00 0.00 174.94 174.43 1sh9 s LYS 14 N -1.84 1.47 -0.03 2.79 2.36 -0.96 -1.12 119.74 122.41 1sh9 s LYS 14 Ca 0.16 -1.07 -0.00 0.00 -2.55 0.00 0.00 55.97 52.50 1sh9 s LYS 14 Cb -0.10 -2.57 0.03 0.00 -1.05 0.00 0.00 37.83 34.13 1sh9 s LYS 14 CO 0.07 -0.68 0.02 -1.50 1.55 0.00 0.00 175.35 174.81 1sh9 s ILE 15 N 1.39 0.08 -1.46 5.43 2.07 0.18 -0.75 121.20 128.13 1sh9 s ILE 15 Ca -0.02 0.19 -0.09 0.00 -1.41 0.00 0.00 60.65 59.33 1sh9 s ILE 15 Cb -0.19 -0.23 0.03 0.00 0.13 0.00 0.00 42.46 42.21 1sh9 s ILE 15 CO -0.09 0.15 0.87 0.61 -1.91 0.00 0.00 174.94 174.58 1sh9 n GLY 16 N 4.50 -0.52 2.68 1.50 0.00 -1.26 -0.54 105.19 111.54 1sh9 n GLY 16 Ca -0.20 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1sh9 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sh9 n GLY 17 N -1.69 0.29 3.47 -0.02 0.00 -1.26 -4.99 105.19 100.99 1sh9 n GLY 17 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1sh9 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sh9 s GLN 18 N -0.93 2.97 -0.03 1.61 -0.21 0.30 -5.11 119.66 118.25 1sh9 s GLN 18 Ca 0.00 -0.64 -0.13 0.00 0.02 0.00 0.00 55.36 54.61 1sh9 s GLN 18 Cb 0.00 -2.57 -0.05 0.00 1.00 0.00 0.00 33.01 31.39 1sh9 s GLN 18 CO 0.00 0.46 0.35 -0.51 -2.12 0.00 0.00 175.29 173.47 1sh9 s LEU 19 N -0.29 4.44 0.12 2.90 1.43 -1.26 -0.65 118.68 125.38 1sh9 s LEU 19 Ca 0.03 0.84 -0.25 0.00 -1.03 0.00 0.00 54.13 53.72 1sh9 s LEU 19 Cb -0.13 -2.47 0.07 0.00 0.03 0.00 0.00 46.19 43.69 1sh9 s LEU 19 CO 0.03 0.33 0.77 -0.13 0.23 0.00 0.00 176.35 177.57 1sh9 s ARG 20 N -0.97 1.18 -0.09 1.70 0.52 -0.27 -5.00 118.95 116.02 1sh9 s ARG 20 Ca 0.22 -0.51 -0.03 0.00 -0.52 0.00 0.00 55.73 54.88 1sh9 s ARG 20 Cb -0.16 0.49 -0.04 0.00 0.52 0.00 0.00 34.95 35.77 1sh9 s ARG 20 CO 0.11 -0.53 0.05 -1.21 0.02 0.00 0.00 175.30 173.74 1sh9 s GLU 21 N -3.49 3.12 0.18 3.54 2.02 -1.26 0.13 118.70 122.94 1sh9 s GLU 21 Ca 0.05 -0.33 0.05 0.00 0.02 0.00 0.00 54.97 54.76 1sh9 s GLU 21 Cb -0.02 -2.91 -0.05 0.00 0.10 0.00 0.00 34.13 31.25 1sh9 s GLU 21 CO -0.06 0.72 -0.08 0.00 0.02 0.00 0.00 175.26 175.85 1sh9 s ALA 22 N -0.95 1.63 -0.25 5.21 0.00 -0.25 -4.58 121.76 122.57 1sh9 s ALA 22 Ca 0.14 -1.58 -0.08 0.00 0.00 0.00 0.00 51.96 50.44 1sh9 s ALA 22 Cb -0.12 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1sh9 s ALA 22 CO 0.03 -0.11 0.10 -1.17 0.00 0.00 0.00 175.76 174.62 1sh9 s LEU 23 N -3.22 3.66 -0.45 0.00 2.96 -0.12 -0.89 118.68 120.61 1sh9 s LEU 23 Ca 0.20 -0.10 -0.27 0.00 -0.22 0.00 0.00 54.13 53.73 1sh9 s LEU 23 Cb 0.03 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 1sh9 s LEU 23 CO 0.03 -0.00 1.85 -0.76 -1.32 0.00 0.00 176.35 176.15 1sh9 s LEU 24 N 1.45 3.42 -0.39 -0.68 1.43 0.13 -1.54 118.68 122.50 1sh9 s LEU 24 Ca 0.06 0.90 -0.03 0.00 -1.03 0.00 0.00 54.13 54.03 1sh9 s LEU 24 Cb -0.15 -3.06 0.10 0.00 0.03 0.00 0.00 46.19 43.10 1sh9 s LEU 24 CO 0.05 -2.04 0.16 -0.62 0.23 0.00 0.00 176.35 174.14 1sh9 s ASP 25 N 7.20 5.20 0.48 2.29 2.15 -0.65 -4.79 116.67 128.54 1sh9 s ASP 25 Ca 0.75 -1.86 0.27 0.00 0.43 0.00 0.00 52.55 52.15 1sh9 s ASP 25 Cb -0.18 -1.81 1.03 0.00 -0.30 0.00 0.00 42.92 41.66 1sh9 s ASP 25 CO 0.28 -0.48 1.86 0.71 -0.17 0.00 0.00 175.17 177.37 1sh9 h THR 26 N 6.37 0.32 -0.18 1.71 1.35 -1.92 -2.67 112.91 117.89 1sh9 h THR 26 Ca -0.15 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1sh9 h THR 26 Cb 1.05 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1sh9 h THR 26 CO 0.66 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 1sh9 n GLY 27 N 0.19 0.51 3.21 5.82 0.00 -1.26 -4.77 105.19 108.88 1sh9 n GLY 27 Ca 0.01 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 1sh9 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sh9 s ALA 28 N -1.66 2.06 0.13 4.61 0.00 -1.01 -5.02 121.76 120.88 1sh9 s ALA 28 Ca 0.13 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1sh9 s ALA 28 Cb 0.08 -0.75 -0.13 0.00 0.00 0.00 0.00 23.12 22.32 1sh9 s ALA 28 CO 0.07 0.29 1.29 -0.44 0.00 0.00 0.00 175.76 176.98 1sh9 h ASP 29 N 6.61 0.26 -1.88 0.00 3.32 -1.86 -1.22 116.42 121.65 1sh9 h ASP 29 Ca -0.23 -0.24 -0.60 0.00 0.02 0.00 0.00 57.03 55.98 1sh9 h ASP 29 Cb 1.22 -0.08 -0.13 0.00 0.22 0.00 0.00 39.33 40.56 1sh9 h ASP 29 CO 0.47 1.11 -0.57 -1.81 -1.72 0.00 0.00 179.24 176.72 1sh9 s ASP 30 N -6.95 3.46 -0.12 6.45 1.01 -1.26 -2.94 116.67 116.32 1sh9 s ASP 30 Ca -0.02 -1.48 -0.05 0.00 0.71 0.00 0.00 52.55 51.70 1sh9 s ASP 30 Cb 0.09 0.03 -0.04 0.00 1.01 0.00 0.00 42.92 44.01 1sh9 s ASP 30 CO 0.84 -0.65 0.08 -0.89 0.21 0.00 0.00 175.17 174.76 1sh9 s THR 31 N -2.95 4.98 -0.07 -1.27 2.01 -1.26 -2.89 115.64 114.18 1sh9 s THR 31 Ca 0.26 0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.23 1sh9 s THR 31 Cb 0.07 -3.15 0.03 0.00 0.01 0.00 0.00 72.50 69.45 1sh9 s THR 31 CO 0.13 0.59 0.17 -0.51 -0.69 0.00 0.00 174.62 174.31 1sh9 s ILE 32 N -0.77 -0.02 0.07 1.82 -1.16 -0.11 -1.29 121.20 119.73 1sh9 s ILE 32 Ca 0.13 0.08 0.09 0.00 -0.51 0.00 0.00 60.65 60.44 1sh9 s ILE 32 Cb -0.12 -0.26 -0.03 0.00 0.61 0.00 0.00 42.46 42.66 1sh9 s ILE 32 CO 0.03 0.03 -0.25 -0.36 -2.81 0.00 0.00 174.94 171.58 1sh9 s PHE 33 N 0.59 2.16 -0.01 3.50 0.40 0.11 -1.11 117.98 123.62 1sh9 s PHE 33 Ca -0.04 -0.40 -0.20 0.00 -0.60 0.00 0.00 56.93 55.69 1sh9 s PHE 33 Cb -0.06 -1.25 -0.31 0.00 0.51 0.00 0.00 43.02 41.91 1sh9 s PHE 33 CO -0.03 0.17 0.96 1.05 0.70 0.00 0.00 175.22 178.08 1sh9 h GLU 34 N 4.54 0.40 -1.71 0.44 4.11 -1.80 -0.22 114.58 120.35 1sh9 h GLU 34 Ca -0.47 -0.63 -0.29 0.00 0.07 0.00 0.00 59.36 58.05 1sh9 h GLU 34 Cb 1.16 0.23 -0.28 0.00 0.50 0.00 0.00 28.75 30.35 1sh9 h GLU 34 CO 0.42 1.29 -0.62 -2.00 0.07 0.00 0.00 179.01 178.17 1sh9 s GLU 35 N -2.62 0.67 -0.02 1.06 2.56 -1.26 -4.38 118.70 114.71 1sh9 s GLU 35 Ca -0.12 -0.67 -0.07 0.00 0.00 0.00 0.00 54.97 54.11 1sh9 s GLU 35 Cb 0.02 -0.51 0.01 0.00 2.00 0.00 0.00 34.13 35.65 1sh9 s GLU 35 CO 0.87 -1.19 0.15 0.96 -0.56 0.00 0.00 175.26 175.50 1sh9 s ILE 36 N 1.58 0.05 -0.23 -3.70 -4.36 -1.26 -5.14 121.20 108.14 1sh9 s ILE 36 Ca 0.16 -0.41 -0.13 0.00 -0.26 0.00 0.00 60.65 60.01 1sh9 s ILE 36 Cb -0.12 -0.36 -0.04 0.00 1.25 0.00 0.00 42.46 43.18 1sh9 s ILE 36 CO -0.05 -0.23 0.27 -0.94 0.24 0.00 0.00 174.94 174.23 1sh9 s SER 37 N -0.80 6.24 -0.01 4.36 1.04 -1.26 -5.04 113.70 118.23 1sh9 s SER 37 Ca -0.09 0.27 0.08 0.00 0.48 0.00 0.00 55.95 56.69 1sh9 s SER 37 Cb -0.05 -2.16 -0.02 0.00 0.10 0.00 0.00 66.02 63.89 1sh9 s SER 37 CO 0.01 -0.01 -0.25 -0.76 0.98 0.00 0.00 173.24 173.21 1sh9 s LEU 38 N 1.26 2.07 0.66 2.42 1.43 -1.26 -4.89 118.68 120.37 1sh9 s LEU 38 Ca 0.12 -0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 52.67 1sh9 s LEU 38 Cb -0.14 -1.29 0.03 0.00 0.03 0.00 0.00 46.19 44.82 1sh9 s LEU 38 CO 0.06 0.30 0.99 -2.16 0.23 0.00 0.00 176.35 175.77 1sh9 s PRO 39 N -0.71 2.68 0.00 1.29 0.04 -1.26 -4.98 135.00 132.05 1sh9 s PRO 39 Ca 0.10 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.19 1sh9 s PRO 39 Cb -0.10 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1sh9 s PRO 39 CO -0.00 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.49 1sh9 n GLY 40 N -2.80 -0.33 3.81 0.56 0.00 -1.26 -4.98 105.19 100.19 1sh9 n GLY 40 Ca 0.06 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 1sh9 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sh9 s ARG 41 N -1.10 3.46 0.05 1.61 0.52 -1.26 -5.08 118.95 117.15 1sh9 s ARG 41 Ca 0.00 1.17 -0.03 0.00 -0.52 0.00 0.00 55.73 56.35 1sh9 s ARG 41 Cb 0.00 -2.05 -0.03 0.00 0.52 0.00 0.00 34.95 33.39 1sh9 s ARG 41 CO 0.00 -0.69 0.02 1.67 0.02 0.00 0.00 175.30 176.32 1sh9 s TRP 42 N -2.46 0.41 -0.10 -0.53 1.48 -1.26 -4.73 118.94 111.74 1sh9 s TRP 42 Ca 0.63 -0.90 0.02 0.00 -1.06 0.00 0.00 56.10 54.79 1sh9 s TRP 42 Cb -0.15 -0.30 -0.01 0.00 -1.16 0.00 0.00 33.47 31.85 1sh9 s TRP 42 CO 0.35 -0.40 -0.16 0.15 -4.06 0.00 0.00 176.95 172.83 1sh9 s LYS 43 N -3.63 3.08 0.45 3.25 1.02 -0.43 -4.86 119.74 118.62 1sh9 s LYS 43 Ca 0.04 -0.75 -0.25 0.00 0.02 0.00 0.00 55.97 55.04 1sh9 s LYS 43 Cb 0.05 -2.48 -0.08 0.00 -0.52 0.00 0.00 37.83 34.81 1sh9 s LYS 43 CO -0.09 0.30 1.39 -1.25 -0.92 0.00 0.00 175.35 174.78 1sh9 s PRO 44 N 0.10 3.67 0.07 -1.68 0.04 -1.26 -0.84 135.00 135.10 1sh9 s PRO 44 Ca -0.08 2.33 -0.21 0.00 0.04 0.00 0.00 61.00 63.08 1sh9 s PRO 44 Cb -0.15 -2.62 0.05 0.00 0.04 0.00 0.00 34.50 31.82 1sh9 s PRO 44 CO 0.05 -0.80 0.50 0.21 0.04 0.00 0.00 177.00 177.00 1sh9 s LYS 45 N -2.48 1.06 -0.05 4.56 2.20 -0.48 -4.85 119.74 119.70 1sh9 s LYS 45 Ca 0.62 -0.36 0.03 0.00 -0.36 0.00 0.00 55.97 55.90 1sh9 s LYS 45 Cb -0.42 0.48 0.01 0.00 -1.51 0.00 0.00 37.83 36.39 1sh9 s LYS 45 CO 0.53 -0.40 -0.13 -1.64 -0.36 0.00 0.00 175.35 173.35 1sh9 s MET 46 N -2.84 1.58 0.20 4.03 -1.94 -1.26 0.84 119.30 119.91 1sh9 s MET 46 Ca -0.03 -0.46 0.11 0.00 -1.71 0.00 0.00 55.69 53.60 1sh9 s MET 46 Cb -0.00 -1.35 -0.04 0.00 2.01 0.00 0.00 34.83 35.44 1sh9 s MET 46 CO -0.05 0.12 -0.21 0.96 -0.01 0.00 0.00 175.02 175.83 1sh9 s ILE 47 N 0.34 2.21 0.17 2.53 -4.36 -0.39 -4.91 121.20 116.79 1sh9 s ILE 47 Ca -0.08 -2.08 0.11 0.00 -0.26 0.00 0.00 60.65 58.33 1sh9 s ILE 47 Cb -0.13 -2.08 -0.04 0.00 1.25 0.00 0.00 42.46 41.46 1sh9 s ILE 47 CO 0.03 -0.24 -0.22 -0.83 0.24 0.00 0.00 174.94 173.91 1sh9 s GLY 48 N -2.85 1.68 0.00 6.27 0.00 -1.26 -0.65 107.32 110.51 1sh9 s GLY 48 Ca 0.21 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.39 1sh9 s GLY 48 CO 0.10 -1.55 0.00 0.61 0.00 0.00 0.00 173.10 172.26 1sh9 n GLY 49 N 0.48 5.27 0.18 0.20 0.00 0.28 -4.99 105.19 106.61 1sh9 n GLY 49 Ca -0.14 -1.48 0.03 0.00 0.00 0.00 0.00 46.02 44.43 1sh9 n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1sh9 h ILE 50 N 0.07 1.10 0.23 -0.61 3.07 -2.02 -3.23 117.51 116.13 1sh9 h ILE 50 Ca 0.00 -1.62 -0.33 0.00 1.55 0.00 0.00 64.86 64.46 1sh9 h ILE 50 Cb 0.00 1.93 0.03 0.00 -0.27 0.00 0.00 36.82 38.51 1sh9 h ILE 50 CO 0.00 0.43 -1.49 1.23 -1.05 0.00 0.00 178.15 177.27 1sh9 h GLY 51 N 1.79 0.55 0.00 0.16 0.00 -2.02 -3.50 103.07 100.04 1sh9 h GLY 51 Ca -0.00 -1.41 0.00 0.00 0.00 0.00 0.00 47.33 45.92 1sh9 h GLY 51 CO 0.06 1.23 0.00 0.61 0.00 0.00 0.00 176.54 178.44 1sh9 n GLY 52 N 1.71 -0.50 3.97 4.60 0.00 -1.22 -5.15 105.19 108.60 1sh9 n GLY 52 Ca -0.17 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 44.91 1sh9 n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sh9 s PHE 53 N -4.00 2.89 -0.27 1.61 -0.00 -1.26 -0.55 117.98 116.39 1sh9 s PHE 53 Ca 0.00 -0.01 -0.15 0.00 -0.00 0.00 0.00 56.93 56.77 1sh9 s PHE 53 Cb 0.00 -2.70 0.08 0.00 -0.00 0.00 0.00 43.02 40.40 1sh9 s PHE 53 CO 0.00 -0.81 0.65 0.08 -0.00 0.00 0.00 175.22 175.15 1sh9 s VAL 54 N -2.72 -0.09 -0.17 -2.49 1.01 0.18 -4.94 120.40 111.17 1sh9 s VAL 54 Ca 0.56 0.01 -0.28 0.00 0.00 0.00 0.00 61.98 62.28 1sh9 s VAL 54 Cb -0.10 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 1sh9 s VAL 54 CO 0.38 0.01 0.95 -0.54 0.00 0.00 0.00 175.10 175.90 1sh9 s LYS 55 N 1.73 4.31 0.35 2.72 -0.14 -1.26 -1.26 119.74 126.19 1sh9 s LYS 55 Ca -0.10 1.23 0.03 0.00 -1.36 0.00 0.00 55.97 55.78 1sh9 s LYS 55 Cb -0.06 -3.59 -0.05 0.00 -1.68 0.00 0.00 37.83 32.45 1sh9 s LYS 55 CO -0.19 -0.43 0.08 0.14 -0.76 0.00 0.00 175.35 174.19 1sh9 s VAL 56 N 2.49 0.93 -0.12 3.17 -7.23 0.25 -4.52 120.40 115.37 1sh9 s VAL 56 Ca 0.43 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.59 1sh9 s VAL 56 Cb -0.16 -2.63 -0.02 0.00 0.56 0.00 0.00 36.38 34.12 1sh9 s VAL 56 CO 0.12 0.00 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.70 1sh9 s ARG 57 N -3.85 3.30 -0.21 4.82 0.52 -0.18 -1.38 118.95 121.97 1sh9 s ARG 57 Ca 0.32 -0.59 -0.10 0.00 -0.52 0.00 0.00 55.73 54.85 1sh9 s ARG 57 Cb 0.07 -2.72 -0.05 0.00 0.52 0.00 0.00 34.95 32.77 1sh9 s ARG 57 CO 0.15 0.36 0.12 -1.14 0.02 0.00 0.00 175.30 174.80 1sh9 s GLN 58 N 0.02 4.11 -0.07 3.54 0.74 -0.02 -1.35 119.66 126.62 1sh9 s GLN 58 Ca -0.02 -0.26 0.03 0.00 0.05 0.00 0.00 55.36 55.17 1sh9 s GLN 58 Cb -0.14 -3.40 0.01 0.00 1.10 0.00 0.00 33.01 30.58 1sh9 s GLN 58 CO 0.03 0.23 -0.17 0.71 -0.55 0.00 0.00 175.29 175.54 1sh9 s TYR 59 N 0.53 1.90 0.39 1.67 1.51 -0.42 -1.32 117.35 121.61 1sh9 s TYR 59 Ca 0.07 -0.72 0.08 0.00 -1.01 0.00 0.00 57.07 55.49 1sh9 s TYR 59 Cb -0.12 -1.32 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 1sh9 s TYR 59 CO -0.00 -0.31 0.30 -0.51 -1.11 0.00 0.00 175.55 173.92 1sh9 s ASP 60 N 0.45 5.00 -1.36 2.29 1.01 -1.26 0.18 116.67 122.98 1sh9 s ASP 60 Ca -0.14 -0.72 -0.03 0.00 0.71 0.00 0.00 52.55 52.37 1sh9 s ASP 60 Cb -0.16 -0.69 -0.00 0.00 1.01 0.00 0.00 42.92 43.08 1sh9 s ASP 60 CO 0.05 -0.52 0.51 0.00 0.21 0.00 0.00 175.17 175.42 1sh9 n GLN 61 N -1.42 -3.31 -3.78 8.23 6.02 -1.25 -4.90 117.38 116.98 1sh9 n GLN 61 Ca 0.01 0.44 -0.36 0.00 -0.01 0.00 0.00 57.00 57.08 1sh9 n GLN 61 Cb 0.61 -4.58 -0.13 0.00 1.02 0.00 0.00 30.24 27.17 1sh9 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1sh9 s ILE 62 N -3.86 4.10 -0.04 5.09 1.01 -0.91 -4.83 121.20 121.76 1sh9 s ILE 62 Ca 0.06 -0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 1sh9 s ILE 62 Cb -0.02 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 1sh9 s ILE 62 CO 0.87 0.31 1.30 -2.16 0.00 0.00 0.00 174.94 175.27 1sh9 s PRO 63 N 1.57 4.31 -0.02 2.79 0.04 -1.26 -2.20 135.00 140.24 1sh9 s PRO 63 Ca 0.06 1.81 0.04 0.00 0.04 0.00 0.00 61.00 62.95 1sh9 s PRO 63 Cb -0.15 -3.58 -0.01 0.00 0.04 0.00 0.00 34.50 30.80 1sh9 s PRO 63 CO 0.02 -0.53 -0.14 -1.50 0.04 0.00 0.00 177.00 174.90 1sh9 s ILE 64 N 2.40 1.13 -0.50 0.56 2.07 0.28 -4.35 121.20 122.79 1sh9 s ILE 64 Ca 0.60 -0.59 -0.14 0.00 -1.41 0.00 0.00 60.65 59.11 1sh9 s ILE 64 Cb -0.28 -0.96 0.10 0.00 0.13 0.00 0.00 42.46 41.46 1sh9 s ILE 64 CO 0.24 0.33 0.42 -0.70 -1.91 0.00 0.00 174.94 173.31 1sh9 s GLU 65 N -0.15 2.87 -0.25 3.50 2.12 0.07 -0.56 118.70 126.30 1sh9 s GLU 65 Ca 0.02 -1.58 -0.18 0.00 0.36 0.00 0.00 54.97 53.59 1sh9 s GLU 65 Cb -0.07 -4.14 -0.03 0.00 0.26 0.00 0.00 34.13 30.15 1sh9 s GLU 65 CO 0.00 -1.17 0.53 0.42 -0.54 0.00 0.00 175.26 174.50 1sh9 s ILE 66 N 1.56 5.06 -1.39 -3.70 -1.09 0.26 -2.26 121.20 119.65 1sh9 s ILE 66 Ca 0.04 0.93 -0.13 0.00 -2.23 0.00 0.00 60.65 59.26 1sh9 s ILE 66 Cb -0.27 -3.85 0.13 0.00 -1.58 0.00 0.00 42.46 36.89 1sh9 s ILE 66 CO 0.04 0.09 0.32 0.00 -1.23 0.00 0.00 174.94 174.16 1sh9 n GLY 68 N -1.34 0.77 3.40 0.00 0.00 -1.26 -5.06 105.19 101.69 1sh9 n GLY 68 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1sh9 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sh9 s HIS 69 N -2.20 2.64 -0.32 1.61 3.76 0.50 -5.10 115.29 116.17 1sh9 s HIS 69 Ca 0.00 -0.41 -0.18 0.00 -0.15 0.00 0.00 55.06 54.32 1sh9 s HIS 69 Cb 0.00 -1.66 -0.01 0.00 1.11 0.00 0.00 32.58 32.02 1sh9 s HIS 69 CO 0.00 -0.01 0.53 0.15 -0.85 0.00 0.00 174.74 174.56 1sh9 s LYS 70 N -0.36 3.78 0.09 1.40 1.02 -1.26 0.89 119.74 125.30 1sh9 s LYS 70 Ca 0.03 0.03 0.05 0.00 0.02 0.00 0.00 55.97 56.10 1sh9 s LYS 70 Cb -0.12 -3.75 -0.03 0.00 -0.52 0.00 0.00 37.83 33.40 1sh9 s LYS 70 CO 0.02 -0.55 -0.13 0.08 -0.92 0.00 0.00 175.35 173.85 1sh9 s VAL 71 N 2.41 1.07 -0.03 3.17 1.01 0.28 -4.99 120.40 123.32 1sh9 s VAL 71 Ca 0.20 -1.46 0.04 0.00 0.00 0.00 0.00 61.98 60.76 1sh9 s VAL 71 Cb -0.15 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1sh9 s VAL 71 CO 0.12 -0.36 -0.15 -0.51 0.00 0.00 0.00 175.10 174.19 1sh9 s ILE 72 N -1.77 1.25 -0.05 2.22 2.07 -1.26 0.98 121.20 124.65 1sh9 s ILE 72 Ca 0.02 -0.64 -0.29 0.00 -1.41 0.00 0.00 60.65 58.32 1sh9 s ILE 72 Cb -0.07 -1.07 0.10 0.00 0.13 0.00 0.00 42.46 41.55 1sh9 s ILE 72 CO 0.02 0.36 1.32 -0.83 -1.91 0.00 0.00 174.94 173.90 1sh9 s GLY 73 N -0.10 -0.17 0.06 1.50 0.00 -0.93 -4.87 107.32 102.81 1sh9 s GLY 73 Ca 0.00 0.10 -0.31 0.00 0.00 0.00 0.00 44.72 44.51 1sh9 s GLY 73 CO 0.01 6.05 1.33 -1.59 0.00 0.00 0.00 173.10 178.90 1sh9 s THR 74 N -2.02 3.66 -0.07 0.90 2.01 -1.26 -2.14 115.64 116.73 1sh9 s THR 74 Ca 0.30 1.15 0.05 0.00 0.31 0.00 0.00 61.69 63.50 1sh9 s THR 74 Cb -0.00 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 1sh9 s THR 74 CO -0.02 0.06 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.05 1sh9 s VAL 75 N 1.52 1.91 -0.17 3.82 1.01 0.13 -4.54 120.40 124.08 1sh9 s VAL 75 Ca 0.62 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 1sh9 s VAL 75 Cb -0.33 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1sh9 s VAL 75 CO 0.28 0.53 0.06 -0.76 0.00 0.00 0.00 175.10 175.21 1sh9 s LEU 76 N 0.06 3.81 -0.17 3.92 1.43 -0.42 -1.30 118.68 126.01 1sh9 s LEU 76 Ca -0.09 0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1sh9 s LEU 76 Cb -0.15 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.14 1sh9 s LEU 76 CO 0.05 0.21 -0.19 -0.69 0.23 0.00 0.00 176.35 175.96 1sh9 s VAL 77 N 0.17 1.98 0.06 -1.59 1.01 -0.46 0.10 120.40 121.67 1sh9 s VAL 77 Ca 0.04 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 60.87 1sh9 s VAL 77 Cb -0.12 -1.79 0.09 0.00 0.00 0.00 0.00 36.38 34.55 1sh9 s VAL 77 CO 0.01 0.53 1.18 -0.83 0.00 0.00 0.00 175.10 175.99 1sh9 s GLY 78 N 1.32 -0.07 -0.13 4.51 0.00 -0.09 -1.01 107.32 111.85 1sh9 s GLY 78 Ca 0.05 -0.04 -0.31 0.00 0.00 0.00 0.00 44.72 44.43 1sh9 s GLY 78 CO -0.12 3.72 2.08 -1.55 0.00 0.00 0.00 173.10 177.23 1sh9 n PRO 79 N -0.77 2.19 -3.67 2.90 -0.04 -1.26 -3.69 135.00 130.65 1sh9 n PRO 79 Ca -0.00 0.72 -0.10 0.00 -0.04 0.00 0.00 63.50 64.07 1sh9 n PRO 79 Cb 0.59 -2.97 -0.09 0.00 -0.04 0.00 0.00 33.50 30.99 1sh9 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1sh9 s THR 80 N 6.24 -0.01 -2.00 0.52 -1.32 -1.26 -5.01 115.64 112.80 1sh9 s THR 80 Ca 0.97 0.04 0.13 0.00 -1.21 0.00 0.00 61.69 61.61 1sh9 s THR 80 Cb -0.49 -0.79 0.38 0.00 -1.51 0.00 0.00 72.50 70.09 1sh9 s THR 80 CO 0.42 0.01 1.44 -0.81 -2.21 0.00 0.00 174.62 173.48 1sh9 n PRO 81 N 3.86 0.92 -3.66 7.08 -0.04 -1.26 -4.54 135.00 137.35 1sh9 n PRO 81 Ca -0.19 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.15 1sh9 n PRO 81 Cb 0.57 -1.23 -0.08 0.00 -0.04 0.00 0.00 33.50 32.72 1sh9 n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sh9 s ALA 82 N -2.00 -1.54 0.12 0.55 0.00 -1.26 -5.13 121.76 112.50 1sh9 s ALA 82 Ca 0.20 1.90 -0.30 0.00 0.00 0.00 0.00 51.96 53.76 1sh9 s ALA 82 Cb 0.09 -1.12 -0.06 0.00 0.00 0.00 0.00 23.12 22.03 1sh9 s ALA 82 CO 0.15 -0.31 1.04 -0.80 0.00 0.00 0.00 175.76 175.84 1sh9 s ASN 83 N 0.89 7.35 -0.04 0.00 0.01 -1.26 -4.80 114.94 117.10 1sh9 s ASN 83 Ca -0.05 1.92 0.03 0.00 -0.71 0.00 0.00 52.86 54.06 1sh9 s ASN 83 Cb -0.05 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.02 1sh9 s ASN 83 CO -0.08 -0.19 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.51 1sh9 s VAL 84 N 0.11 1.08 -0.29 1.60 1.01 -0.27 -0.95 120.40 122.69 1sh9 s VAL 84 Ca 0.50 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 1sh9 s VAL 84 Cb -0.26 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.19 1sh9 s VAL 84 CO 0.32 0.32 0.07 -0.63 0.00 0.00 0.00 175.10 175.18 1sh9 s ILE 85 N 0.17 3.87 0.26 2.22 1.01 -0.59 -0.93 121.20 127.21 1sh9 s ILE 85 Ca -0.04 -0.74 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 1sh9 s ILE 85 Cb -0.10 -3.01 0.05 0.00 0.01 0.00 0.00 42.46 39.41 1sh9 s ILE 85 CO 0.01 0.07 0.35 0.61 0.00 0.00 0.00 174.94 175.99 1sh9 n GLY 86 N 4.85 0.12 0.22 6.18 0.00 -1.14 -1.64 105.19 113.79 1sh9 n GLY 86 Ca -0.15 -1.89 0.16 0.00 0.00 0.00 0.00 46.02 44.14 1sh9 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sh9 h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -1.29 -1.26 114.38 116.53 1sh9 h ARG 87 Ca -0.12 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 1sh9 h ARG 87 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1sh9 h ARG 87 CO 0.11 0.00 -0.26 -2.95 -1.07 0.00 0.00 179.97 175.80 1sh9 h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.80 -2.86 115.58 116.89 1sh9 h ASN 88 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 56.30 56.12 1sh9 h ASN 88 Cb 0.30 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.50 1sh9 h ASN 88 CO 0.00 0.26 -1.93 0.18 0.07 0.00 0.00 177.43 176.01 1sh9 n LEU 89 N -3.71 0.55 0.27 6.14 4.77 -0.94 -4.50 117.00 119.58 1sh9 n LEU 89 Ca -0.01 -0.02 0.12 0.00 -0.03 0.00 0.00 56.01 56.08 1sh9 n LEU 89 Cb 0.37 0.16 0.78 0.00 -2.33 0.00 0.00 43.42 42.40 1sh9 n LEU 89 CO 0.34 0.42 1.04 0.24 -1.33 0.00 0.00 177.39 178.10 1sh9 h MET 90 N 0.00 0.00 0.00 3.23 2.86 -1.25 -1.11 114.93 118.66 1sh9 h MET 90 Ca -0.37 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.19 1sh9 h MET 90 Cb 1.79 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.43 1sh9 h MET 90 CO 0.01 0.06 -0.39 1.79 1.06 0.00 0.00 176.91 179.44 1sh9 h THR 91 N 0.00 0.78 0.00 2.22 1.35 -1.73 -0.97 112.91 114.55 1sh9 h THR 91 Ca -0.00 -1.74 -0.04 0.00 -0.55 0.00 0.00 66.41 64.08 1sh9 h THR 91 Cb 0.15 2.12 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 1sh9 h THR 91 CO 0.01 0.38 -0.20 1.56 -0.25 0.00 0.00 175.52 177.02 1sh9 h GLN 92 N 0.00 0.00 -0.54 4.72 4.20 -1.43 -3.06 115.11 119.00 1sh9 h GLN 92 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1sh9 h GLN 92 Cb 1.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.87 1sh9 h GLN 92 CO 0.05 0.20 0.00 0.44 -0.67 0.00 0.00 178.83 178.85 1sh9 n ILE 93 N -3.23 1.26 -2.16 2.54 -5.35 -1.18 -4.98 119.36 106.27 1sh9 n ILE 93 Ca 0.02 -1.11 -0.11 0.00 -0.27 0.00 0.00 62.75 61.28 1sh9 n ILE 93 Cb 0.51 0.37 -0.01 0.00 -1.74 0.00 0.00 39.64 38.77 1sh9 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sh9 n GLY 94 N 0.95 -0.01 3.74 3.28 0.00 -1.15 -5.00 105.19 107.01 1sh9 n GLY 94 Ca 0.20 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1sh9 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sh9 s THR 96 N -0.20 0.10 0.27 0.00 -4.23 -1.26 -4.77 115.64 105.55 1sh9 s THR 96 Ca 0.54 -0.79 -0.10 0.00 -1.18 0.00 0.00 61.69 60.16 1sh9 s THR 96 Cb -0.35 -0.23 -0.07 0.00 1.34 0.00 0.00 72.50 73.18 1sh9 s THR 96 CO 0.40 -0.43 0.60 -0.76 -0.54 0.00 0.00 174.62 173.89 1sh9 s LEU 97 N -1.26 4.09 -0.10 4.79 1.43 -1.26 -5.09 118.68 121.28 1sh9 s LEU 97 Ca -0.14 0.96 -0.08 0.00 -1.03 0.00 0.00 54.13 53.85 1sh9 s LEU 97 Cb -0.09 -3.76 0.03 0.00 0.03 0.00 0.00 46.19 42.41 1sh9 s LEU 97 CO -0.01 -0.15 0.26 0.20 0.23 0.00 0.00 176.35 176.88 1sh9 s ASN 98 N -2.58 -0.27 0.00 2.29 0.01 -1.26 -5.27 114.94 107.85 1sh9 s ASN 98 Ca 0.48 0.53 0.00 0.00 -0.71 0.00 0.00 52.86 53.16 1sh9 s ASN 98 Cb -0.11 0.49 0.00 0.00 0.41 0.00 0.00 41.25 42.05 1sh9 s ASN 98 CO 0.23 -0.12 0.00 2.22 -1.51 0.00 0.00 177.10 177.93