#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dw6 s GLN 2 N 0.00 2.89 -0.27 0.54 0.74 -1.26 -5.11 119.66 117.20 1dw6 s GLN 2 Ca 0.00 -0.80 -0.07 0.00 0.05 0.00 0.00 55.36 54.55 1dw6 s GLN 2 Cb 0.00 -2.47 -0.01 0.00 1.10 0.00 0.00 33.01 31.62 1dw6 s GLN 2 CO 0.00 -0.17 0.07 0.42 -0.55 0.00 0.00 175.29 175.05 1dw6 s ILE 3 N 1.22 4.11 0.64 -2.34 1.01 -1.26 -5.10 121.20 119.48 1dw6 s ILE 3 Ca 0.03 -0.40 -0.11 0.00 0.00 0.00 0.00 60.65 60.16 1dw6 s ILE 3 Cb -0.13 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 1dw6 s ILE 3 CO -0.10 0.24 1.04 0.42 0.00 0.00 0.00 174.94 176.53 1dw6 s THR 4 N 1.56 4.55 -0.25 2.92 -4.23 -1.26 -5.00 115.64 113.93 1dw6 s THR 4 Ca 0.05 0.83 0.13 0.00 -1.18 0.00 0.00 61.69 61.52 1dw6 s THR 4 Cb -0.16 -3.78 0.72 0.00 1.34 0.00 0.00 72.50 70.62 1dw6 s THR 4 CO 0.03 -1.08 1.68 0.18 -0.54 0.00 0.00 174.62 174.88 1dw6 n LEU 5 N -2.82 5.33 0.06 4.79 4.77 -1.26 -4.47 117.00 123.40 1dw6 n LEU 5 Ca 0.06 -3.06 0.02 0.00 -0.03 0.00 0.00 56.01 53.00 1dw6 n LEU 5 Cb 0.54 -0.67 0.39 0.00 -2.33 0.00 0.00 43.42 41.35 1dw6 n LEU 5 CO 0.58 0.71 0.99 -0.50 -1.33 0.00 0.00 177.39 177.84 1dw6 h TRP 6 N 3.01 0.40 -2.67 -1.77 4.06 -2.06 -3.43 115.95 113.49 1dw6 h TRP 6 Ca 0.08 -0.02 -0.49 0.00 2.06 0.00 0.00 58.89 60.51 1dw6 h TRP 6 Cb 1.93 -0.12 -0.14 0.00 -1.00 0.00 0.00 29.16 29.83 1dw6 h TRP 6 CO 1.00 0.39 -0.64 0.15 -3.56 0.00 0.00 178.44 175.78 1dw6 s LYS 7 N -5.04 1.62 0.27 0.49 1.02 -1.26 -5.11 119.74 111.73 1dw6 s LYS 7 Ca -0.07 -1.86 -0.30 0.00 0.02 0.00 0.00 55.97 53.76 1dw6 s LYS 7 Cb 0.16 -1.05 -0.11 0.00 -0.52 0.00 0.00 37.83 36.31 1dw6 s LYS 7 CO 0.74 -0.07 1.55 1.03 -0.92 0.00 0.00 175.35 177.68 1dw6 s ARG 8 N -3.80 4.17 -1.22 1.68 0.52 -1.26 -4.88 118.95 114.16 1dw6 s ARG 8 Ca 0.33 2.49 -0.20 0.00 -0.52 0.00 0.00 55.73 57.82 1dw6 s ARG 8 Cb 0.07 -3.06 0.01 0.00 0.52 0.00 0.00 34.95 32.49 1dw6 s ARG 8 CO 0.14 -0.57 1.79 -1.25 0.02 0.00 0.00 175.30 175.42 1dw6 s PRO 9 N -0.31 3.41 -0.09 3.54 0.04 -1.26 -4.96 135.00 135.36 1dw6 s PRO 9 Ca 0.63 -1.58 -0.11 0.00 0.04 0.00 0.00 61.00 59.98 1dw6 s PRO 9 Cb -0.46 -5.41 -0.05 0.00 0.04 0.00 0.00 34.50 28.63 1dw6 s PRO 9 CO 0.45 -2.87 0.27 -0.51 0.04 0.00 0.00 177.00 174.38 1dw6 s LEU 10 N 6.76 4.38 0.17 -3.56 1.43 -1.26 -1.11 118.68 125.50 1dw6 s LEU 10 Ca 0.59 0.64 0.02 0.00 -1.03 0.00 0.00 54.13 54.35 1dw6 s LEU 10 Cb 0.02 -2.32 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 1dw6 s LEU 10 CO 0.08 0.30 -0.00 0.68 0.23 0.00 0.00 176.35 177.64 1dw6 s VAL 11 N -0.67 0.69 -0.07 -1.59 -7.23 0.22 -4.94 120.40 106.81 1dw6 s VAL 11 Ca 0.18 -1.98 -0.18 0.00 -1.81 0.00 0.00 61.98 58.19 1dw6 s VAL 11 Cb -0.14 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.64 1dw6 s VAL 11 CO 0.07 -0.48 0.49 -0.89 -0.31 0.00 0.00 175.10 173.98 1dw6 s THR 12 N -3.65 5.08 0.23 5.32 2.01 -1.26 -0.56 115.64 122.82 1dw6 s THR 12 Ca 0.24 1.01 0.09 0.00 0.31 0.00 0.00 61.69 63.33 1dw6 s THR 12 Cb 0.06 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1dw6 s THR 12 CO 0.04 0.40 -0.15 0.27 -0.69 0.00 0.00 174.62 174.48 1dw6 s ILE 13 N 0.08 1.96 -0.11 1.82 -4.36 0.86 -1.65 121.20 119.80 1dw6 s ILE 13 Ca 0.27 -2.27 0.01 0.00 -0.26 0.00 0.00 60.65 58.40 1dw6 s ILE 13 Cb -0.16 -2.16 0.02 0.00 1.25 0.00 0.00 42.46 41.41 1dw6 s ILE 13 CO 0.13 -0.51 -0.13 -0.75 0.24 0.00 0.00 174.94 173.91 1dw6 s LYS 14 N -3.61 2.02 -0.08 0.37 2.20 -0.37 -1.16 119.74 119.12 1dw6 s LYS 14 Ca 0.25 -0.48 -0.05 0.00 -0.36 0.00 0.00 55.97 55.34 1dw6 s LYS 14 Cb -0.02 -1.81 0.03 0.00 -1.51 0.00 0.00 37.83 34.52 1dw6 s LYS 14 CO 0.10 -0.13 0.19 -1.50 -0.36 0.00 0.00 175.35 173.64 1dw6 s ILE 15 N 1.21 -0.02 -1.22 5.43 2.07 0.51 -1.72 121.20 127.46 1dw6 s ILE 15 Ca -0.03 0.08 -0.00 0.00 -1.41 0.00 0.00 60.65 59.29 1dw6 s ILE 15 Cb -0.14 -0.28 0.00 0.00 0.13 0.00 0.00 42.46 42.17 1dw6 s ILE 15 CO -0.04 0.03 0.03 0.61 -1.91 0.00 0.00 174.94 173.66 1dw6 n GLY 16 N 3.61 -0.50 2.03 1.50 0.00 -1.26 -0.18 105.19 110.38 1dw6 n GLY 16 Ca -0.19 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1dw6 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dw6 n GLY 17 N -0.87 0.70 3.42 -0.02 0.00 -1.26 -5.04 105.19 102.12 1dw6 n GLY 17 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1dw6 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dw6 s GLN 18 N -0.14 1.97 -0.15 1.61 -0.21 0.74 -5.12 119.66 118.36 1dw6 s GLN 18 Ca 0.00 -1.03 -0.10 0.00 0.02 0.00 0.00 55.36 54.25 1dw6 s GLN 18 Cb 0.00 -2.12 -0.05 0.00 1.00 0.00 0.00 33.01 31.85 1dw6 s GLN 18 CO 0.00 0.53 0.17 -0.51 -2.12 0.00 0.00 175.29 173.36 1dw6 s LEU 19 N -1.39 4.30 0.26 2.90 1.02 -1.26 -0.36 118.68 124.15 1dw6 s LEU 19 Ca 0.14 0.40 -0.11 0.00 0.02 0.00 0.00 54.13 54.57 1dw6 s LEU 19 Cb -0.10 -2.15 -0.00 0.00 0.02 0.00 0.00 46.19 43.96 1dw6 s LEU 19 CO 0.04 0.27 0.47 -1.59 0.02 0.00 0.00 176.35 175.56 1dw6 s LYS 20 N -0.24 1.59 -0.12 1.70 -2.85 -0.31 -4.99 119.74 114.52 1dw6 s LYS 20 Ca 0.13 -1.34 -0.05 0.00 -1.00 0.00 0.00 55.97 53.71 1dw6 s LYS 20 Cb -0.12 0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 36.08 1dw6 s LYS 20 CO 0.02 -0.66 0.05 -1.21 0.10 0.00 0.00 175.35 173.65 1dw6 s GLU 21 N -3.86 3.37 0.07 1.78 0.41 -1.26 -0.10 118.70 119.12 1dw6 s GLU 21 Ca 0.24 -0.32 0.02 0.00 -0.41 0.00 0.00 54.97 54.50 1dw6 s GLU 21 Cb -0.00 -3.00 -0.03 0.00 -1.78 0.00 0.00 34.13 29.31 1dw6 s GLU 21 CO 0.11 0.60 -0.07 0.00 -0.49 0.00 0.00 175.26 175.41 1dw6 s ALA 22 N -0.57 0.78 -0.23 5.21 0.00 0.28 -4.46 121.76 122.77 1dw6 s ALA 22 Ca 0.10 -1.08 -0.12 0.00 0.00 0.00 0.00 51.96 50.87 1dw6 s ALA 22 Cb -0.12 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 1dw6 s ALA 22 CO 0.02 -0.14 0.21 -1.17 0.00 0.00 0.00 175.76 174.68 1dw6 s LEU 23 N -2.36 4.13 -0.43 0.00 2.96 0.16 -0.61 118.68 122.53 1dw6 s LEU 23 Ca 0.02 0.20 -0.29 0.00 -0.22 0.00 0.00 54.13 53.84 1dw6 s LEU 23 Cb -0.02 -2.19 0.02 0.00 0.50 0.00 0.00 46.19 44.50 1dw6 s LEU 23 CO -0.02 0.04 1.30 -0.76 -1.32 0.00 0.00 176.35 175.59 1dw6 s LEU 24 N 1.07 3.63 -0.34 -0.68 1.43 -0.27 -1.24 118.68 122.29 1dw6 s LEU 24 Ca 0.10 0.73 0.02 0.00 -1.03 0.00 0.00 54.13 53.95 1dw6 s LEU 24 Cb -0.14 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.63 1dw6 s LEU 24 CO 0.05 -1.34 0.06 -0.62 0.23 0.00 0.00 176.35 174.74 1dw6 s ASP 25 N 3.29 4.86 0.27 2.29 -1.08 -0.72 -4.78 116.67 120.79 1dw6 s ASP 25 Ca 0.56 -1.97 0.23 0.00 -0.52 0.00 0.00 52.55 50.85 1dw6 s ASP 25 Cb -0.11 -1.67 1.00 0.00 -1.46 0.00 0.00 42.92 40.67 1dw6 s ASP 25 CO 0.31 -0.39 1.71 0.35 0.52 0.00 0.00 175.17 177.67 1dw6 n THR 26 N 4.38 0.85 1.15 1.71 -2.24 -1.26 -2.32 114.28 116.54 1dw6 n THR 26 Ca -0.01 0.28 0.12 0.00 -2.27 0.00 0.00 64.05 62.17 1dw6 n THR 26 Cb 0.42 -1.22 0.36 0.00 -2.10 0.00 0.00 70.33 67.79 1dw6 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dw6 n GLY 27 N -0.12 0.52 3.55 3.38 0.00 -1.26 -4.83 105.19 106.44 1dw6 n GLY 27 Ca 0.02 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 1dw6 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dw6 s ALA 28 N -1.85 3.25 0.12 4.61 0.00 -0.98 -4.98 121.76 121.92 1dw6 s ALA 28 Ca 0.34 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.47 1dw6 s ALA 28 Cb 0.20 -1.89 -0.18 0.00 0.00 0.00 0.00 23.12 21.25 1dw6 s ALA 28 CO 0.30 -0.00 1.27 -0.44 0.00 0.00 0.00 175.76 176.89 1dw6 h ASP 29 N 7.14 0.13 -1.30 0.00 3.32 -1.88 -0.84 116.42 122.98 1dw6 h ASP 29 Ca -0.36 -0.13 -0.59 0.00 0.02 0.00 0.00 57.03 55.97 1dw6 h ASP 29 Cb 1.18 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 40.59 1dw6 h ASP 29 CO 0.65 1.07 -0.49 -1.81 -1.72 0.00 0.00 179.24 176.94 1dw6 s ASP 30 N -6.84 4.34 -0.19 6.45 1.01 -1.26 -3.10 116.67 117.08 1dw6 s ASP 30 Ca -0.01 -1.22 -0.04 0.00 0.71 0.00 0.00 52.55 51.99 1dw6 s ASP 30 Cb 0.09 -0.22 -0.02 0.00 1.01 0.00 0.00 42.92 43.79 1dw6 s ASP 30 CO 0.83 -0.65 -0.02 -0.89 0.21 0.00 0.00 175.17 174.66 1dw6 s THR 31 N -2.67 3.84 -0.17 -1.27 2.01 -1.26 -3.04 115.64 113.07 1dw6 s THR 31 Ca 0.35 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 62.00 1dw6 s THR 31 Cb 0.04 -2.72 0.02 0.00 0.01 0.00 0.00 72.50 69.84 1dw6 s THR 31 CO 0.19 0.45 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.68 1dw6 s VAL 32 N 0.88 1.98 0.02 3.82 1.01 -0.31 -0.94 120.40 126.87 1dw6 s VAL 32 Ca 0.00 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1dw6 s VAL 32 Cb -0.14 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1dw6 s VAL 32 CO 0.02 0.53 -0.09 -0.63 0.00 0.00 0.00 175.10 174.92 1dw6 s ILE 33 N 1.28 3.44 0.65 2.22 -1.09 0.30 -0.33 121.20 127.68 1dw6 s ILE 33 Ca 0.04 -0.89 -0.18 0.00 -2.23 0.00 0.00 60.65 57.39 1dw6 s ILE 33 Cb -0.13 -2.49 -0.02 0.00 -1.58 0.00 0.00 42.46 38.24 1dw6 s ILE 33 CO -0.12 0.36 1.16 -1.84 -1.23 0.00 0.00 174.94 173.28 1dw6 n GLU 34 N 1.50 0.96 -1.71 2.79 0.28 -1.26 -1.98 120.64 121.22 1dw6 n GLU 34 Ca -0.15 0.38 -0.63 0.00 -0.16 0.00 0.00 57.16 56.60 1dw6 n GLU 34 Cb 0.52 -2.39 -0.09 0.00 1.43 0.00 0.00 31.44 30.91 1dw6 n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1dw6 n GLU 35 N -1.70 0.44 -3.65 3.44 4.07 -0.95 -4.63 120.64 117.66 1dw6 n GLU 35 Ca 0.15 0.16 -0.15 0.00 -0.06 0.00 0.00 57.16 57.27 1dw6 n GLU 35 Cb 0.48 -1.73 -0.08 0.00 -0.06 0.00 0.00 31.44 30.05 1dw6 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1dw6 s MET 36 N 2.82 0.77 -1.10 5.31 0.23 -1.26 -5.03 119.30 121.04 1dw6 s MET 36 Ca 1.01 0.47 -0.22 0.00 -1.03 0.00 0.00 55.69 55.91 1dw6 s MET 36 Cb -1.31 0.36 0.02 0.00 -1.53 0.00 0.00 34.83 32.37 1dw6 s MET 36 CO 0.73 -0.16 1.69 -1.12 -2.03 0.00 0.00 175.02 174.12 1dw6 s SER 37 N -0.40 6.14 -0.06 -1.18 0.01 -1.26 -4.97 113.70 111.97 1dw6 s SER 37 Ca -0.05 -1.60 -0.15 0.00 1.31 0.00 0.00 55.95 55.45 1dw6 s SER 37 Cb -0.03 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 1dw6 s SER 37 CO 0.04 -1.86 0.40 -0.76 0.41 0.00 0.00 173.24 171.46 1dw6 s LEU 38 N 6.56 4.38 0.74 2.44 1.43 -1.26 -5.07 118.68 127.90 1dw6 s LEU 38 Ca 0.56 0.83 -0.11 0.00 -1.03 0.00 0.00 54.13 54.38 1dw6 s LEU 38 Cb -0.00 -2.56 0.04 0.00 0.03 0.00 0.00 46.19 43.69 1dw6 s LEU 38 CO -0.00 0.20 1.08 -2.16 0.23 0.00 0.00 176.35 175.70 1dw6 s PRO 39 N -0.35 2.55 0.00 1.29 0.04 -1.26 -4.94 135.00 132.32 1dw6 s PRO 39 Ca 0.23 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1dw6 s PRO 39 Cb -0.15 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1dw6 s PRO 39 CO 0.11 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 176.17 1dw6 n GLY 40 N -1.73 1.77 3.81 0.56 0.00 -1.26 -5.03 105.19 103.32 1dw6 n GLY 40 Ca 0.08 -2.12 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 1dw6 n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dw6 s ARG 41 N -1.78 4.26 0.24 1.61 6.06 -1.26 -5.08 118.95 122.99 1dw6 s ARG 41 Ca 0.00 0.84 0.00 0.00 -2.50 0.00 0.00 55.73 54.07 1dw6 s ARG 41 Cb 0.00 -3.07 -0.05 0.00 0.06 0.00 0.00 34.95 31.90 1dw6 s ARG 41 CO 0.00 0.51 0.12 1.67 -2.50 0.00 0.00 175.30 175.10 1dw6 s TRP 42 N -1.32 1.38 -0.01 5.12 1.48 -1.26 -4.58 118.94 119.75 1dw6 s TRP 42 Ca 0.37 -1.28 0.01 0.00 -1.06 0.00 0.00 56.10 54.14 1dw6 s TRP 42 Cb -0.19 -0.75 -0.00 0.00 -1.16 0.00 0.00 33.47 31.37 1dw6 s TRP 42 CO 0.21 -0.48 -0.05 0.21 -4.06 0.00 0.00 176.95 172.78 1dw6 s LYS 43 N -4.07 0.41 0.45 3.25 2.47 -0.81 -4.92 119.74 116.52 1dw6 s LYS 43 Ca 0.38 -0.16 -0.24 0.00 -1.56 0.00 0.00 55.97 54.39 1dw6 s LYS 43 Cb 0.07 -0.41 -0.08 0.00 -1.46 0.00 0.00 37.83 35.95 1dw6 s LYS 43 CO 0.13 0.08 1.27 -1.25 0.16 0.00 0.00 175.35 175.75 1dw6 s PRO 44 N -0.00 3.75 0.06 4.03 0.04 -1.26 -0.28 135.00 141.34 1dw6 s PRO 44 Ca 0.01 2.06 -0.21 0.00 0.04 0.00 0.00 61.00 62.89 1dw6 s PRO 44 Cb -0.03 -2.56 0.05 0.00 0.04 0.00 0.00 34.50 31.99 1dw6 s PRO 44 CO -0.00 -0.64 0.50 0.21 0.04 0.00 0.00 177.00 177.11 1dw6 s LYS 45 N -2.49 1.04 -0.11 4.56 2.20 -0.75 -4.85 119.74 119.34 1dw6 s LYS 45 Ca 0.61 -0.31 0.02 0.00 -0.36 0.00 0.00 55.97 55.94 1dw6 s LYS 45 Cb -0.36 0.47 0.01 0.00 -1.51 0.00 0.00 37.83 36.45 1dw6 s LYS 45 CO 0.45 -0.38 -0.17 -1.64 -0.36 0.00 0.00 175.35 173.25 1dw6 s MET 46 N -2.66 2.39 0.02 4.03 -1.94 -1.26 -0.64 119.30 119.23 1dw6 s MET 46 Ca -0.04 -0.62 0.06 0.00 -1.71 0.00 0.00 55.69 53.37 1dw6 s MET 46 Cb -0.00 -2.00 -0.03 0.00 2.01 0.00 0.00 34.83 34.80 1dw6 s MET 46 CO -0.03 -0.05 -0.15 0.96 -0.01 0.00 0.00 175.02 175.73 1dw6 s ILE 47 N 0.95 2.99 0.29 2.53 -5.25 -0.75 -4.94 121.20 117.02 1dw6 s ILE 47 Ca -0.07 -1.04 0.11 0.00 -0.99 0.00 0.00 60.65 58.66 1dw6 s ILE 47 Cb -0.15 -2.26 -0.05 0.00 2.95 0.00 0.00 42.46 42.95 1dw6 s ILE 47 CO -0.02 0.39 -0.09 -0.83 -1.79 0.00 0.00 174.94 172.60 1dw6 s GLY 48 N -1.33 1.89 0.00 6.27 0.00 -1.26 -0.95 107.32 111.93 1dw6 s GLY 48 Ca 0.15 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 43.02 1dw6 s GLY 48 CO 0.05 -1.89 0.00 0.61 0.00 0.00 0.00 173.10 171.87 1dw6 n GLY 49 N -0.78 3.35 3.71 0.20 0.00 -0.11 -4.98 105.19 106.58 1dw6 n GLY 49 Ca -0.05 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 1dw6 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dw6 s ILE 50 N -2.00 3.58 0.00 -0.61 1.01 -1.26 -2.87 121.20 119.04 1dw6 s ILE 50 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 60.65 61.74 1dw6 s ILE 50 Cb 0.00 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1dw6 s ILE 50 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.61 1dw6 n GLY 51 N 3.49 2.78 0.00 6.18 0.00 -1.26 -4.97 105.19 111.41 1dw6 n GLY 51 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1dw6 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dw6 n GLY 52 N -0.26 0.54 3.62 -0.02 0.00 -1.14 -5.13 105.19 102.82 1dw6 n GLY 52 Ca 0.00 -1.61 -0.28 0.00 0.00 0.00 0.00 46.02 44.12 1dw6 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dw6 s PHE 53 N -3.20 2.80 0.08 1.61 0.40 -1.26 -0.93 117.98 117.48 1dw6 s PHE 53 Ca 0.00 -0.14 0.05 0.00 -0.60 0.00 0.00 56.93 56.24 1dw6 s PHE 53 Cb 0.00 -1.41 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 1dw6 s PHE 53 CO 0.00 0.48 -0.13 0.96 0.70 0.00 0.00 175.22 177.22 1dw6 s ILE 54 N -1.46 1.07 -0.01 0.64 -4.36 -0.13 -4.97 121.20 111.99 1dw6 s ILE 54 Ca 0.24 -1.38 -0.22 0.00 -0.26 0.00 0.00 60.65 59.04 1dw6 s ILE 54 Cb -0.10 -1.12 -0.05 0.00 1.25 0.00 0.00 42.46 42.43 1dw6 s ILE 54 CO 0.16 -0.30 0.64 -0.54 0.24 0.00 0.00 174.94 175.14 1dw6 s LYS 55 N -1.97 4.38 0.19 0.37 1.02 -1.26 -1.81 119.74 120.66 1dw6 s LYS 55 Ca -0.00 0.82 0.01 0.00 0.02 0.00 0.00 55.97 56.81 1dw6 s LYS 55 Cb -0.09 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.81 1dw6 s LYS 55 CO 0.02 0.29 0.05 0.14 -0.92 0.00 0.00 175.35 174.93 1dw6 s VAL 56 N 0.04 0.47 -0.20 3.17 -7.23 0.18 -4.52 120.40 112.30 1dw6 s VAL 56 Ca 0.33 -1.98 -0.04 0.00 -1.81 0.00 0.00 61.98 58.49 1dw6 s VAL 56 Cb -0.18 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.44 1dw6 s VAL 56 CO 0.18 -0.28 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.54 1dw6 s ARG 57 N -4.00 3.51 -0.27 4.82 0.52 0.13 -1.81 118.95 121.86 1dw6 s ARG 57 Ca 0.30 -0.57 -0.20 0.00 -0.52 0.00 0.00 55.73 54.74 1dw6 s ARG 57 Cb 0.07 -3.02 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 1dw6 s ARG 57 CO 0.07 -0.05 0.61 -1.14 0.02 0.00 0.00 175.30 174.82 1dw6 s GLN 58 N 1.12 4.05 -0.16 3.54 0.74 0.62 -0.81 119.66 128.76 1dw6 s GLN 58 Ca 0.02 0.45 -0.03 0.00 0.05 0.00 0.00 55.36 55.85 1dw6 s GLN 58 Cb -0.15 -3.67 -0.02 0.00 1.10 0.00 0.00 33.01 30.28 1dw6 s GLN 58 CO 0.00 -0.44 -0.07 0.71 -0.55 0.00 0.00 175.29 174.95 1dw6 s TYR 59 N 2.50 2.94 0.31 1.67 1.51 -0.22 -1.93 117.35 124.14 1dw6 s TYR 59 Ca 0.25 -0.53 0.04 0.00 -1.01 0.00 0.00 57.07 55.83 1dw6 s TYR 59 Cb -0.15 -1.95 -0.02 0.00 -0.11 0.00 0.00 41.96 39.72 1dw6 s TYR 59 CO 0.09 -0.19 0.46 -0.51 -1.11 0.00 0.00 175.55 174.30 1dw6 s ASP 60 N 0.59 6.13 -1.57 2.29 1.11 -1.26 -0.84 116.67 123.11 1dw6 s ASP 60 Ca -0.04 0.06 -0.12 0.00 0.18 0.00 0.00 52.55 52.63 1dw6 s ASP 60 Cb -0.15 -1.62 0.10 0.00 1.07 0.00 0.00 42.92 42.31 1dw6 s ASP 60 CO 0.03 -0.31 0.75 0.00 1.18 0.00 0.00 175.17 176.82 1dw6 n GLN 61 N -1.63 -3.89 -3.08 8.23 1.13 -1.19 -4.90 117.38 112.05 1dw6 n GLN 61 Ca -0.04 0.45 -0.39 0.00 -1.94 0.00 0.00 57.00 55.07 1dw6 n GLN 61 Cb 0.57 -5.07 -0.05 0.00 0.11 0.00 0.00 30.24 25.81 1dw6 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1dw6 s ILE 62 N -3.47 4.91 -0.14 5.09 -1.09 0.04 -4.75 121.20 121.78 1dw6 s ILE 62 Ca 0.51 1.44 -0.21 0.00 -2.23 0.00 0.00 60.65 60.16 1dw6 s ILE 62 Cb -0.27 -4.03 -0.03 0.00 -1.58 0.00 0.00 42.46 36.55 1dw6 s ILE 62 CO 0.89 0.34 0.60 -0.63 -1.23 0.00 0.00 174.94 174.91 1dw6 s ILE 63 N 0.22 5.08 0.03 2.92 1.01 -1.26 -1.37 121.20 127.82 1dw6 s ILE 63 Ca 0.36 1.18 0.01 0.00 0.00 0.00 0.00 60.65 62.20 1dw6 s ILE 63 Cb -0.19 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 1dw6 s ILE 63 CO 0.19 0.21 -0.05 -0.51 0.00 0.00 0.00 174.94 174.78 1dw6 s ILE 64 N 1.28 0.31 -0.16 2.92 2.07 -0.52 -4.47 121.20 122.62 1dw6 s ILE 64 Ca 0.30 -1.07 0.01 0.00 -1.41 0.00 0.00 60.65 58.49 1dw6 s ILE 64 Cb -0.16 -0.52 0.01 0.00 0.13 0.00 0.00 42.46 41.92 1dw6 s ILE 64 CO 0.12 -0.50 -0.20 -0.70 -1.91 0.00 0.00 174.94 171.76 1dw6 s GLU 65 N -1.73 3.02 -0.32 3.50 2.12 -0.70 -0.58 118.70 124.01 1dw6 s GLU 65 Ca -0.11 -0.83 -0.04 0.00 0.36 0.00 0.00 54.97 54.35 1dw6 s GLU 65 Cb -0.08 -2.53 0.05 0.00 0.26 0.00 0.00 34.13 31.82 1dw6 s GLU 65 CO -0.01 -0.12 0.05 0.42 -0.54 0.00 0.00 175.26 175.06 1dw6 s ILE 66 N 1.09 3.35 -1.49 -3.70 1.01 0.12 -1.23 121.20 120.36 1dw6 s ILE 66 Ca -0.00 -1.30 -0.12 0.00 0.00 0.00 0.00 60.65 59.23 1dw6 s ILE 66 Cb -0.14 -2.93 0.07 0.00 0.01 0.00 0.00 42.46 39.47 1dw6 s ILE 66 CO -0.08 -0.16 0.89 0.00 0.00 0.00 0.00 174.94 175.59 1dw6 n ALA 67 N 4.71 -1.22 -0.49 9.38 0.00 -0.66 -1.02 120.51 131.21 1dw6 n ALA 67 Ca -0.12 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1dw6 n ALA 67 Cb 0.44 -4.29 0.00 0.00 0.00 0.00 0.00 19.45 15.60 1dw6 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dw6 n GLY 68 N -1.63 0.75 3.41 0.00 0.00 -1.26 -5.05 105.19 101.42 1dw6 n GLY 68 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1dw6 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1dw6 s HIS 69 N -2.98 3.00 0.27 1.61 4.02 -0.19 -5.10 115.29 115.92 1dw6 s HIS 69 Ca 0.00 -0.56 -0.29 0.00 1.02 0.00 0.00 55.06 55.22 1dw6 s HIS 69 Cb 0.00 -2.06 -0.09 0.00 -1.02 0.00 0.00 32.58 29.41 1dw6 s HIS 69 CO 0.00 -0.29 0.98 0.15 1.02 0.00 0.00 174.74 176.60 1dw6 s LYS 70 N 1.00 4.74 0.15 1.40 1.02 -1.26 0.15 119.74 126.95 1dw6 s LYS 70 Ca 0.01 1.54 -0.09 0.00 0.02 0.00 0.00 55.97 57.45 1dw6 s LYS 70 Cb -0.14 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 1dw6 s LYS 70 CO 0.01 0.39 0.27 0.00 -0.92 0.00 0.00 175.35 175.10 1dw6 s ALA 71 N -1.26 -0.01 -0.13 5.17 0.00 0.25 -4.85 121.76 120.93 1dw6 s ALA 71 Ca 0.44 -0.86 -0.07 0.00 0.00 0.00 0.00 51.96 51.47 1dw6 s ALA 71 Cb -0.26 0.81 0.05 0.00 0.00 0.00 0.00 23.12 23.73 1dw6 s ALA 71 CO 0.33 -0.63 0.31 -1.50 0.00 0.00 0.00 175.76 174.27 1dw6 s ILE 72 N -3.95 -0.08 -0.14 0.00 2.07 -1.26 -1.44 121.20 116.40 1dw6 s ILE 72 Ca 0.16 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.54 1dw6 s ILE 72 Cb 0.04 -0.47 0.00 0.00 0.13 0.00 0.00 42.46 42.15 1dw6 s ILE 72 CO -0.01 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.68 1dw6 n GLY 73 N 4.36 -0.85 3.73 1.50 0.00 -0.47 -4.89 105.19 108.56 1dw6 n GLY 73 Ca -0.23 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 1dw6 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dw6 s THR 74 N -3.00 4.27 -0.05 2.61 2.01 -1.26 -0.78 115.64 119.44 1dw6 s THR 74 Ca 0.00 1.89 0.02 0.00 0.31 0.00 0.00 61.69 63.91 1dw6 s THR 74 Cb 0.00 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.32 1dw6 s THR 74 CO 0.00 0.29 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.43 1dw6 s VAL 75 N 0.01 0.93 -0.16 3.82 1.01 -0.02 -4.50 120.40 121.49 1dw6 s VAL 75 Ca 0.49 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 62.00 1dw6 s VAL 75 Cb -0.26 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 1dw6 s VAL 75 CO 0.31 0.31 0.15 -0.76 0.00 0.00 0.00 175.10 175.11 1dw6 s LEU 76 N 0.63 4.28 -0.15 3.92 1.43 -0.11 -1.06 118.68 127.62 1dw6 s LEU 76 Ca -0.12 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1dw6 s LEU 76 Cb -0.14 -2.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 1dw6 s LEU 76 CO 0.02 0.26 -0.14 -0.69 0.23 0.00 0.00 176.35 176.03 1dw6 s VAL 77 N -0.17 2.78 0.10 -1.59 1.01 0.01 -0.54 120.40 122.01 1dw6 s VAL 77 Ca 0.11 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.19 1dw6 s VAL 77 Cb -0.12 -2.17 0.06 0.00 0.00 0.00 0.00 36.38 34.15 1dw6 s VAL 77 CO 0.01 0.51 0.79 0.61 0.00 0.00 0.00 175.10 177.03 1dw6 n GLY 78 N 3.93 0.69 2.82 4.51 0.00 -0.84 -0.69 105.19 115.62 1dw6 n GLY 78 Ca -0.19 -1.07 -0.37 0.00 0.00 0.00 0.00 46.02 44.39 1dw6 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dw6 n PRO 79 N -0.56 2.13 -3.30 1.61 -0.04 -1.26 -2.24 135.00 131.34 1dw6 n PRO 79 Ca -0.01 -1.93 -0.37 0.00 -0.04 0.00 0.00 63.50 61.16 1dw6 n PRO 79 Cb 0.43 -2.86 -0.06 0.00 -0.04 0.00 0.00 33.50 30.97 1dw6 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1dw6 s THR 80 N 3.96 4.78 -0.14 0.52 -1.32 -1.26 -4.97 115.64 117.21 1dw6 s THR 80 Ca 0.52 1.03 0.29 0.00 -1.21 0.00 0.00 61.69 62.32 1dw6 s THR 80 Cb 0.14 -3.81 0.32 0.00 -1.51 0.00 0.00 72.50 67.64 1dw6 s THR 80 CO 0.02 0.36 1.87 1.55 -2.21 0.00 0.00 174.62 176.21 1dw6 h PRO 81 N 3.93 0.00 -2.15 7.08 0.13 -1.98 -3.45 132.00 135.57 1dw6 h PRO 81 Ca -0.49 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 1dw6 h PRO 81 Cb 1.20 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 1dw6 h PRO 81 CO 0.65 0.00 0.11 0.54 -0.23 0.00 0.00 178.00 179.07 1dw6 s VAL 82 N -3.53 0.01 0.08 1.56 0.11 -1.26 -5.12 120.40 112.25 1dw6 s VAL 82 Ca 0.02 -0.06 -0.31 0.00 -2.93 0.00 0.00 61.98 58.71 1dw6 s VAL 82 Cb 0.09 -0.94 -0.07 0.00 -1.53 0.00 0.00 36.38 33.93 1dw6 s VAL 82 CO 0.45 -0.03 1.41 0.20 -3.33 0.00 0.00 175.10 173.79 1dw6 s ASN 83 N -0.89 6.82 -0.18 3.54 0.01 -1.26 -4.77 114.94 118.22 1dw6 s ASN 83 Ca -0.09 2.28 0.01 0.00 -0.71 0.00 0.00 52.86 54.35 1dw6 s ASN 83 Cb -0.02 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.08 1dw6 s ASN 83 CO 0.07 -0.68 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.17 1dw6 s ILE 84 N 1.51 2.24 -0.30 0.60 1.01 0.56 -0.67 121.20 126.14 1dw6 s ILE 84 Ca 0.65 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 60.27 1dw6 s ILE 84 Cb -0.36 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 1dw6 s ILE 84 CO 0.29 0.53 0.33 -0.63 0.00 0.00 0.00 174.94 175.46 1dw6 s ILE 85 N 1.21 5.20 0.27 2.92 -1.09 -0.37 -1.16 121.20 128.19 1dw6 s ILE 85 Ca 0.03 0.27 0.01 0.00 -2.23 0.00 0.00 60.65 58.72 1dw6 s ILE 85 Cb -0.14 -3.72 0.05 0.00 -1.58 0.00 0.00 42.46 37.08 1dw6 s ILE 85 CO -0.09 0.07 0.38 0.61 -1.23 0.00 0.00 174.94 174.67 1dw6 n GLY 86 N 4.88 0.93 0.26 6.18 0.00 -1.17 -1.76 105.19 114.51 1dw6 n GLY 86 Ca -0.10 -2.02 0.03 0.00 0.00 0.00 0.00 46.02 43.94 1dw6 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1dw6 h ARG 87 N 0.00 0.33 -0.64 1.61 3.08 -1.25 -1.54 114.38 115.95 1dw6 h ARG 87 Ca -0.12 -0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.00 1dw6 h ARG 87 Cb 0.48 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 1dw6 h ARG 87 CO 0.14 0.35 0.44 -2.95 -1.07 0.00 0.00 179.97 176.88 1dw6 h ASN 88 N 0.32 0.31 0.01 7.04 -1.07 -1.81 -1.90 115.58 118.48 1dw6 h ASN 88 Ca 0.07 0.01 -0.37 0.00 0.07 0.00 0.00 56.30 56.08 1dw6 h ASN 88 Cb 0.22 -0.05 -0.07 0.00 -2.07 0.00 0.00 38.32 36.35 1dw6 h ASN 88 CO 0.00 0.17 -2.40 0.18 0.07 0.00 0.00 177.43 175.46 1dw6 n LEU 89 N -4.46 0.80 0.08 6.14 4.77 -1.07 -4.45 117.00 118.81 1dw6 n LEU 89 Ca 0.12 -0.03 0.03 0.00 -0.03 0.00 0.00 56.01 56.10 1dw6 n LEU 89 Cb 0.48 0.12 0.40 0.00 -2.33 0.00 0.00 43.42 42.09 1dw6 n LEU 89 CO 0.34 0.61 0.99 0.24 -1.33 0.00 0.00 177.39 178.24 1dw6 h MET 90 N 0.00 0.35 0.00 3.23 2.86 -0.99 -1.56 114.93 118.83 1dw6 h MET 90 Ca -0.55 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 56.99 1dw6 h MET 90 Cb 2.15 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.75 1dw6 h MET 90 CO 0.00 0.37 -0.21 1.79 1.06 0.00 0.00 176.91 179.93 1dw6 h THR 91 N 0.35 0.78 0.00 2.22 1.35 -1.57 -2.35 112.91 113.69 1dw6 h THR 91 Ca 0.08 -0.83 -0.09 0.00 -0.55 0.00 0.00 66.41 65.02 1dw6 h THR 91 Cb 0.22 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 1dw6 h THR 91 CO 0.00 0.20 -0.43 1.56 -0.25 0.00 0.00 175.52 176.61 1dw6 h GLN 92 N 0.00 0.00 -0.42 4.72 4.20 -1.50 -3.06 115.11 119.05 1dw6 h GLN 92 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1dw6 h GLN 92 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1dw6 h GLN 92 CO 0.03 0.43 0.00 0.44 -0.67 0.00 0.00 178.83 179.05 1dw6 n ILE 93 N -3.36 0.54 -2.89 2.54 -5.35 -1.08 -4.96 119.36 104.79 1dw6 n ILE 93 Ca 0.01 -0.70 -0.14 0.00 -0.27 0.00 0.00 62.75 61.65 1dw6 n ILE 93 Cb 0.61 0.73 0.03 0.00 -1.74 0.00 0.00 39.64 39.28 1dw6 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dw6 n GLY 94 N 1.44 -0.00 3.76 3.28 0.00 -1.15 -5.01 105.19 107.52 1dw6 n GLY 94 Ca 0.19 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1dw6 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dw6 s ALA 95 N -3.03 3.39 0.09 4.61 0.00 -0.90 -5.05 121.76 120.87 1dw6 s ALA 95 Ca 0.25 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.67 1dw6 s ALA 95 Cb -0.11 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1dw6 s ALA 95 CO 0.31 0.21 -0.07 0.95 0.00 0.00 0.00 175.76 177.16 1dw6 s THR 96 N -0.91 0.68 -0.15 0.00 -4.23 -1.26 -4.75 115.64 105.01 1dw6 s THR 96 Ca 0.39 -1.82 -0.07 0.00 -1.18 0.00 0.00 61.69 59.00 1dw6 s THR 96 Cb -0.24 -1.54 -0.04 0.00 1.34 0.00 0.00 72.50 72.02 1dw6 s THR 96 CO 0.28 -0.81 0.10 -0.76 -0.54 0.00 0.00 174.62 172.89 1dw6 s LEU 97 N -2.85 4.11 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.78 1dw6 s LEU 97 Ca 0.09 0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1dw6 s LEU 97 Cb 0.03 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.24 1dw6 s LEU 97 CO -0.04 0.28 -0.03 0.20 0.23 0.00 0.00 176.35 176.99 1dw6 s ASN 98 N -0.28 0.61 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.13 1dw6 s ASN 98 Ca 0.10 -0.08 0.00 0.00 -1.57 0.00 0.00 52.86 51.31 1dw6 s ASN 98 Cb -0.12 -0.23 0.00 0.00 -0.02 0.00 0.00 41.25 40.88 1dw6 s ASN 98 CO 0.01 -0.03 0.00 2.22 -2.57 0.00 0.00 177.10 176.73