#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmp s SER 2 N 0.00 0.62 0.20 1.61 0.15 -1.26 -5.15 113.70 109.87 2dmp s SER 2 Ca 0.00 0.37 -0.12 0.00 0.70 0.00 0.00 55.95 56.90 2dmp s SER 2 Cb 0.00 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2dmp s SER 2 CO 0.00 -0.24 0.40 -0.55 1.20 0.00 0.00 173.24 174.05 2dmp s SER 3 N 2.21 -0.07 -0.25 5.45 0.15 -1.26 -5.18 113.70 114.75 2dmp s SER 3 Ca 0.02 -0.82 -0.25 0.00 0.70 0.00 0.00 55.95 55.60 2dmp s SER 3 Cb -0.12 0.52 0.07 0.00 -1.71 0.00 0.00 66.02 64.78 2dmp s SER 3 CO -0.06 -1.01 0.73 -0.83 1.20 0.00 0.00 173.24 173.27 2dmp s GLY 4 N -2.97 -0.53 0.04 9.45 0.00 -1.26 -5.18 107.32 106.88 2dmp s GLY 4 Ca 0.18 2.00 -0.00 0.00 0.00 0.00 0.00 44.72 46.89 2dmp s GLY 4 CO 0.03 1.69 -0.04 -0.45 0.00 0.00 0.00 173.10 174.34 2dmp s SER 5 N 0.26 0.47 -0.14 1.64 0.15 -1.26 -5.15 113.70 109.68 2dmp s SER 5 Ca -0.01 -0.79 -0.04 0.00 0.70 0.00 0.00 55.95 55.82 2dmp s SER 5 Cb -0.05 0.14 0.06 0.00 -1.71 0.00 0.00 66.02 64.47 2dmp s SER 5 CO 0.01 -0.45 0.14 -0.44 1.20 0.00 0.00 173.24 173.70 2dmp s SER 6 N -2.31 1.48 -0.05 5.45 0.01 -1.26 -5.14 113.70 111.88 2dmp s SER 6 Ca -0.02 -0.15 0.04 0.00 1.31 0.00 0.00 55.95 57.13 2dmp s SER 6 Cb 0.00 0.07 -0.00 0.00 0.21 0.00 0.00 66.02 66.30 2dmp s SER 6 CO -0.06 -0.30 -0.18 -0.83 0.41 0.00 0.00 173.24 172.28 2dmp s GLY 7 N 2.23 0.99 -0.29 3.44 0.00 -1.26 -5.12 107.32 107.32 2dmp s GLY 7 Ca 0.04 -0.72 -0.12 0.00 0.00 0.00 0.00 44.72 43.92 2dmp s GLY 7 CO -0.08 -0.31 0.24 0.00 0.00 0.00 0.00 173.10 172.96 2dmp s ALA 8 N 0.15 3.53 0.00 3.20 0.00 -1.26 -5.08 121.76 122.31 2dmp s ALA 8 Ca -0.07 -1.08 -0.08 0.00 0.00 0.00 0.00 51.96 50.73 2dmp s ALA 8 Cb -0.13 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.37 2dmp s ALA 8 CO 0.03 -0.65 0.28 0.71 0.00 0.00 0.00 175.76 176.13 2dmp s TYR 9 N 1.83 3.59 0.34 0.00 1.51 -1.26 -5.07 117.35 118.30 2dmp s TYR 9 Ca 0.09 0.63 -0.28 0.00 -1.01 0.00 0.00 57.07 56.50 2dmp s TYR 9 Cb -0.16 -2.03 -0.09 0.00 -0.11 0.00 0.00 41.96 39.57 2dmp s TYR 9 CO 0.11 0.62 1.21 -1.25 -1.11 0.00 0.00 175.55 175.13 2dmp s PRO 10 N -1.63 4.32 0.25 -1.71 0.04 -1.26 -5.05 135.00 129.95 2dmp s PRO 10 Ca 0.26 1.99 0.01 0.00 0.04 0.00 0.00 61.00 63.31 2dmp s PRO 10 Cb -0.13 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 2dmp s PRO 10 CO 0.15 -0.14 0.14 -0.51 0.04 0.00 0.00 177.00 176.68 2dmp s ASP 11 N -0.80 0.80 -0.13 6.66 1.11 -1.26 -5.15 116.67 117.90 2dmp s ASP 11 Ca 0.51 -1.45 -0.01 0.00 0.18 0.00 0.00 52.55 51.77 2dmp s ASP 11 Cb -0.35 0.34 0.04 0.00 1.07 0.00 0.00 42.92 44.02 2dmp s ASP 11 CO 0.45 -0.84 -0.03 0.72 1.18 0.00 0.00 175.17 176.65 2dmp s PHE 12 N -3.89 1.26 0.13 4.23 -0.71 -1.26 -5.14 117.98 112.60 2dmp s PHE 12 Ca 0.38 -0.71 0.07 0.00 -1.04 0.00 0.00 56.93 55.64 2dmp s PHE 12 Cb 0.06 -1.11 -0.04 0.00 -1.21 0.00 0.00 43.02 40.73 2dmp s PHE 12 CO 0.15 -0.51 -0.16 0.00 -1.34 0.00 0.00 175.22 173.36 2dmp s ALA 13 N 1.78 1.70 0.09 1.99 0.00 -1.26 -5.06 121.76 121.00 2dmp s ALA 13 Ca 0.03 -1.34 -0.16 0.00 0.00 0.00 0.00 51.96 50.49 2dmp s ALA 13 Cb -0.14 -0.14 -0.10 0.00 0.00 0.00 0.00 23.12 22.75 2dmp s ALA 13 CO -0.07 0.19 1.40 -1.00 0.00 0.00 0.00 175.76 176.28 2dmp h PRO 14 N 3.53 0.62 -3.45 0.00 0.13 -2.09 -3.42 132.00 127.33 2dmp h PRO 14 Ca -0.42 -0.33 -0.50 0.00 -0.87 0.00 0.00 66.00 63.89 2dmp h PRO 14 Cb 1.20 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.94 2dmp h PRO 14 CO 0.49 0.93 -0.76 -0.65 -0.23 0.00 0.00 178.00 177.77 2dmp s GLN 15 N -4.35 0.51 -0.20 0.86 -1.52 -1.26 -5.12 119.66 108.58 2dmp s GLN 15 Ca -0.13 -0.30 -0.03 0.00 -1.95 0.00 0.00 55.36 52.95 2dmp s GLN 15 Cb 0.08 -1.95 -0.01 0.00 -0.22 0.00 0.00 33.01 30.91 2dmp s GLN 15 CO 0.81 -0.62 -0.05 -1.59 -0.25 0.00 0.00 175.29 173.59 2dmp s LYS 16 N 1.93 3.44 -0.04 2.91 0.00 -1.26 -5.10 119.74 121.62 2dmp s LYS 16 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 55.97 55.37 2dmp s LYS 16 Cb -0.16 -2.95 0.02 0.00 0.00 0.00 0.00 37.83 34.73 2dmp s LYS 16 CO -0.08 -0.07 -0.05 -0.06 0.00 0.00 0.00 175.35 175.09 2dmp s PHE 17 N 1.14 0.74 -0.12 1.78 0.08 -1.26 -5.04 117.98 115.30 2dmp s PHE 17 Ca 0.02 -0.19 -0.09 0.00 0.12 0.00 0.00 56.93 56.79 2dmp s PHE 17 Cb -0.15 -0.63 -0.26 0.00 -0.57 0.00 0.00 43.02 41.42 2dmp s PHE 17 CO -0.01 -0.16 0.38 -0.22 -0.10 0.00 0.00 175.22 175.11 2dmp h LYS 18 N 6.97 0.25 -3.62 0.44 3.64 -1.98 -3.49 116.57 118.79 2dmp h LYS 18 Ca -0.37 -0.43 -0.08 0.00 -1.27 0.00 0.00 60.65 58.50 2dmp h LYS 18 Cb 1.16 0.16 -0.14 0.00 -0.41 0.00 0.00 32.23 32.99 2dmp h LYS 18 CO 0.48 1.21 -0.29 -1.83 -2.27 0.00 0.00 179.45 176.75 2dmp s GLU 19 N -2.54 0.87 0.92 1.90 -1.05 -1.26 -5.16 118.70 112.38 2dmp s GLU 19 Ca -0.22 -0.81 -0.11 0.00 -0.15 0.00 0.00 54.97 53.68 2dmp s GLU 19 Cb 0.06 0.37 0.15 0.00 -0.44 0.00 0.00 34.13 34.27 2dmp s GLU 19 CO 0.76 -0.29 1.11 0.15 0.95 0.00 0.00 175.26 177.93 2dmp s LYS 20 N -3.53 1.01 0.87 -4.83 3.01 -1.26 -4.99 119.74 110.01 2dmp s LYS 20 Ca 0.02 1.24 -0.11 0.00 -1.01 0.00 0.00 55.97 56.11 2dmp s LYS 20 Cb 0.03 -1.75 0.11 0.00 -1.01 0.00 0.00 37.83 35.21 2dmp s LYS 20 CO -0.09 -2.53 1.10 -0.08 0.51 0.00 0.00 175.35 174.25 2dmp s THR 21 N -2.72 2.75 0.17 2.17 -1.32 -1.26 -4.71 115.64 110.72 2dmp s THR 21 Ca 0.65 0.24 -0.23 0.00 -1.21 0.00 0.00 61.69 61.15 2dmp s THR 21 Cb -0.21 -2.58 0.07 0.00 -1.51 0.00 0.00 72.50 68.27 2dmp s THR 21 CO 0.58 -0.32 1.60 1.56 -2.21 0.00 0.00 174.62 175.83 2dmp h GLN 22 N -1.53 -0.22 -0.11 7.08 4.20 -1.99 -1.12 115.11 121.42 2dmp h GLN 22 Ca -0.46 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.28 2dmp h GLN 22 Cb 1.26 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 29.06 2dmp h GLN 22 CO 0.50 -0.15 -0.27 0.78 -0.67 0.00 0.00 178.83 179.02 2dmp h GLY 23 N -0.23 -1.39 -0.29 3.46 0.00 -1.99 0.26 103.07 102.89 2dmp h GLY 23 Ca 0.18 0.71 0.10 0.00 0.00 0.00 0.00 47.33 48.32 2dmp h GLY 23 CO -0.57 -0.41 -0.31 1.46 0.00 0.00 0.00 176.54 176.71 2dmp h GLN 24 N -0.26 -0.18 -0.72 4.80 4.20 -1.83 0.49 115.11 121.62 2dmp h GLN 24 Ca 0.02 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.85 2dmp h GLN 24 Cb 0.32 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.06 2dmp h GLN 24 CO -0.24 -0.12 0.33 0.28 -0.67 0.00 0.00 178.83 178.41 2dmp h VAL 25 N -0.19 0.78 -0.92 -0.54 2.07 -0.70 -0.73 116.25 116.02 2dmp h VAL 25 Ca 0.21 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.59 2dmp h VAL 25 Cb 0.53 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 2dmp h VAL 25 CO -0.61 0.10 0.60 0.50 0.02 0.00 0.00 177.57 178.17 2dmp h LYS 26 N 0.54 1.12 -0.49 1.57 1.63 0.16 0.36 116.57 121.46 2dmp h LYS 26 Ca 0.37 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 60.04 2dmp h LYS 26 Cb 0.46 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 2dmp h LYS 26 CO -0.32 0.74 0.05 0.82 -3.45 0.00 0.00 179.45 177.29 2dmp h ILE 27 N 1.15 1.23 0.10 2.00 2.04 0.07 -2.21 117.51 121.89 2dmp h ILE 27 Ca 0.37 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 2dmp h ILE 27 Cb 0.03 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2dmp h ILE 27 CO -0.13 0.33 -0.05 -0.07 0.00 0.00 0.00 178.15 178.23 2dmp h LEU 28 N 0.74 -0.11 -0.90 1.44 3.38 -0.49 -3.28 115.31 116.09 2dmp h LEU 28 Ca 0.15 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.30 2dmp h LEU 28 Cb 0.38 0.03 -0.17 0.00 0.09 0.00 0.00 40.66 40.99 2dmp h LEU 28 CO 0.01 0.28 -0.24 -0.33 0.09 0.00 0.00 178.44 178.25 2dmp h GLU 29 N -0.84 -0.01 -0.97 1.13 5.08 -0.39 0.80 114.58 119.38 2dmp h GLU 29 Ca -0.01 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.58 2dmp h GLU 29 Cb 0.10 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.23 2dmp h GLU 29 CO 0.02 -0.00 0.54 0.22 -1.00 0.00 0.00 179.01 178.79 2dmp h ASP 30 N -0.01 0.60 0.26 1.42 3.58 -1.54 0.40 116.42 121.14 2dmp h ASP 30 Ca 0.42 0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.99 2dmp h ASP 30 Cb 0.65 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.75 2dmp h ASP 30 CO -0.92 0.10 -0.13 0.28 -2.88 0.00 0.00 179.24 175.69 2dmp h SER 31 N 0.56 -0.30 -0.03 2.28 0.02 0.47 -3.28 113.55 113.27 2dmp h SER 31 Ca 0.61 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.60 2dmp h SER 31 Cb 1.14 0.08 -0.06 0.00 0.14 0.00 0.00 62.40 63.70 2dmp h SER 31 CO -0.48 0.16 -0.52 0.15 -1.14 0.00 0.00 176.83 175.01 2dmp h PHE 32 N -1.09 -1.52 -0.86 3.45 3.04 -0.67 0.22 116.94 119.51 2dmp h PHE 32 Ca -0.04 0.05 0.33 0.00 3.98 0.00 0.00 57.97 62.30 2dmp h PHE 32 Cb 0.27 0.67 -0.16 0.00 2.56 0.00 0.00 35.95 39.29 2dmp h PHE 32 CO 0.00 -0.56 0.37 1.28 -2.02 0.00 0.00 178.31 177.38 2dmp n LEU 33 N -5.46 0.22 -0.05 0.59 4.77 0.14 -0.84 117.00 116.37 2dmp n LEU 33 Ca -0.07 1.43 -0.02 0.00 -0.03 0.00 0.00 56.01 57.32 2dmp n LEU 33 Cb 0.39 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 2dmp n LEU 33 CO 0.12 -1.57 0.04 0.11 -1.33 0.00 0.00 177.39 174.76 2dmp h LYS 34 N 0.00 0.00 -3.62 3.23 1.57 -1.20 -3.45 116.57 113.10 2dmp h LYS 34 Ca 0.68 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.91 2dmp h LYS 34 Cb 1.75 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.66 2dmp h LYS 34 CO -0.69 0.13 -0.76 0.45 -0.57 0.00 0.00 179.45 178.01 2dmp s SER 35 N -5.65 3.41 0.25 0.86 0.15 0.61 -5.01 113.70 108.33 2dmp s SER 35 Ca -0.03 -1.15 -0.06 0.00 0.70 0.00 0.00 55.95 55.42 2dmp s SER 35 Cb -0.00 -0.75 0.48 0.00 -1.71 0.00 0.00 66.02 64.04 2dmp s SER 35 CO 0.10 -0.34 1.63 0.77 1.20 0.00 0.00 173.24 176.60 2dmp h SER 36 N 8.16 -0.32 -3.22 5.45 4.64 -1.71 -3.30 113.55 123.27 2dmp h SER 36 Ca -0.16 0.20 -0.74 0.00 -0.47 0.00 0.00 61.79 60.62 2dmp h SER 36 Cb 1.08 0.34 -0.25 0.00 -0.31 0.00 0.00 62.40 63.26 2dmp h SER 36 CO 0.39 -0.18 -0.30 -0.36 -0.87 0.00 0.00 176.83 175.51 2dmp s PHE 37 N -6.09 3.29 0.41 4.77 0.40 -1.26 -4.80 117.98 114.69 2dmp s PHE 37 Ca -0.13 -1.31 -0.07 0.00 -0.60 0.00 0.00 56.93 54.81 2dmp s PHE 37 Cb 0.23 -3.49 0.10 0.00 0.51 0.00 0.00 43.02 40.37 2dmp s PHE 37 CO 0.76 -0.94 0.36 -0.35 0.70 0.00 0.00 175.22 175.75 2dmp n PRO 38 N 5.15 -1.74 -4.35 0.24 -0.04 -1.24 -5.09 135.00 127.93 2dmp n PRO 38 Ca -0.12 -0.58 -0.22 0.00 -0.04 0.00 0.00 63.50 62.54 2dmp n PRO 38 Cb 0.41 -0.54 -0.11 0.00 -0.04 0.00 0.00 33.50 33.22 2dmp n PRO 38 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2dmp s THR 39 N -1.65 1.89 0.34 0.52 -1.32 -1.26 -4.94 115.64 109.21 2dmp s THR 39 Ca 0.24 -1.97 0.15 0.00 -1.21 0.00 0.00 61.69 58.89 2dmp s THR 39 Cb -0.02 -1.90 0.36 0.00 -1.51 0.00 0.00 72.50 69.42 2dmp s THR 39 CO 0.18 -0.32 1.51 0.00 -2.21 0.00 0.00 174.62 173.78 2dmp n GLN 40 N 0.20 -0.06 0.37 7.08 1.13 -1.26 -0.05 117.38 124.79 2dmp n GLN 40 Ca -0.12 1.35 -0.18 0.00 -1.94 0.00 0.00 57.00 56.12 2dmp n GLN 40 Cb 0.57 -2.34 -0.09 0.00 0.11 0.00 0.00 30.24 28.49 2dmp n GLN 40 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dmp h ALA 41 N 1.91 -0.92 0.40 -1.58 0.00 -1.99 -1.60 119.26 115.48 2dmp h ALA 41 Ca 0.74 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 2dmp h ALA 41 Cb 1.86 0.36 0.00 0.00 0.00 0.00 0.00 17.79 20.01 2dmp h ALA 41 CO -0.79 -0.99 -0.22 1.49 0.00 0.00 0.00 179.25 178.74 2dmp h GLU 42 N -0.98 -0.55 -0.99 0.00 4.57 -0.86 -3.06 114.58 112.71 2dmp h GLU 42 Ca -0.09 0.04 0.13 0.00 -1.18 0.00 0.00 59.36 58.26 2dmp h GLU 42 Cb 0.72 0.13 -0.15 0.00 -0.16 0.00 0.00 28.75 29.29 2dmp h GLU 42 CO 0.15 -0.37 -0.45 1.28 -1.18 0.00 0.00 179.01 178.45 2dmp n LEU 43 N -3.69 -0.77 -0.38 1.64 4.77 0.00 0.13 117.00 118.70 2dmp n LEU 43 Ca -0.07 1.73 0.32 0.00 -0.03 0.00 0.00 56.01 57.96 2dmp n LEU 43 Cb 0.24 -0.34 0.59 0.00 -2.33 0.00 0.00 43.42 41.57 2dmp n LEU 43 CO 0.17 -1.51 1.16 -0.78 -1.33 0.00 0.00 177.39 175.09 2dmp h ASP 44 N 0.00 0.34 0.32 -1.43 1.82 -1.24 0.68 116.42 116.91 2dmp h ASP 44 Ca 0.28 0.18 -0.33 0.00 -0.39 0.00 0.00 57.03 56.78 2dmp h ASP 44 Cb 0.53 0.17 0.02 0.00 0.68 0.00 0.00 39.33 40.73 2dmp h ASP 44 CO -0.96 -0.24 -1.54 -0.09 -1.61 0.00 0.00 179.24 174.80 2dmp h ARG 45 N 0.12 0.43 -0.37 0.28 2.43 0.11 -3.24 114.38 114.14 2dmp h ARG 45 Ca 0.81 -0.73 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2dmp h ARG 45 Cb 2.25 0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 32.05 2dmp h ARG 45 CO -0.56 1.34 0.20 -0.07 -1.51 0.00 0.00 179.97 179.37 2dmp h LEU 46 N 0.12 0.32 0.38 3.80 3.38 0.24 0.31 115.31 123.85 2dmp h LEU 46 Ca -0.26 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 2dmp h LEU 46 Cb 2.11 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.80 2dmp h LEU 46 CO 0.23 0.23 -0.25 0.03 0.09 0.00 0.00 178.44 178.77 2dmp h ARG 47 N 0.42 -0.57 -0.65 1.13 3.08 -0.88 0.25 114.38 117.16 2dmp h ARG 47 Ca 0.15 0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.33 2dmp h ARG 47 Cb 0.03 0.13 -0.07 0.00 0.08 0.00 0.00 29.97 30.14 2dmp h ARG 47 CO -0.09 -0.38 0.28 -0.24 -1.07 0.00 0.00 179.97 178.47 2dmp h VAL 48 N -0.60 0.81 0.51 2.04 3.04 -1.57 1.29 116.25 121.77 2dmp h VAL 48 Ca -0.05 -0.17 -0.02 0.00 -1.01 0.00 0.00 66.70 65.45 2dmp h VAL 48 Cb 0.48 0.28 -0.00 0.00 -2.01 0.00 0.00 31.29 30.04 2dmp h VAL 48 CO 0.04 0.09 -0.32 -0.33 -1.01 0.00 0.00 177.57 176.05 2dmp h GLU 49 N 0.49 -0.74 0.00 4.17 4.39 -0.28 -2.31 114.58 120.30 2dmp h GLU 49 Ca 0.32 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.07 2dmp h GLU 49 Cb 0.37 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2dmp h GLU 49 CO -0.28 -0.50 0.00 0.25 -1.16 0.00 0.00 179.01 177.32 2dmp n THR 50 N -4.33 0.42 -3.37 1.13 -2.24 0.87 -4.87 114.28 101.89 2dmp n THR 50 Ca -0.09 0.10 -0.18 0.00 -2.27 0.00 0.00 64.05 61.61 2dmp n THR 50 Cb 0.32 -0.81 0.07 0.00 -2.10 0.00 0.00 70.33 67.82 2dmp n THR 50 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2dmp n LYS 51 N -1.26 -6.46 -4.40 -0.78 4.76 0.40 -4.91 118.16 105.51 2dmp n LYS 51 Ca 0.09 0.73 -0.20 0.00 -2.87 0.00 0.00 58.31 56.06 2dmp n LYS 51 Cb 0.13 -5.44 -0.10 0.00 -1.84 0.00 0.00 35.03 27.78 2dmp n LYS 51 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dmp s LEU 52 N -6.20 2.48 0.45 -0.35 1.43 0.13 -4.98 118.68 111.64 2dmp s LEU 52 Ca 0.29 -1.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.27 2dmp s LEU 52 Cb -0.13 -0.63 0.01 0.00 0.03 0.00 0.00 46.19 45.47 2dmp s LEU 52 CO 0.64 -0.31 0.65 -0.44 0.23 0.00 0.00 176.35 177.11 2dmp s SER 53 N -3.40 5.68 0.26 2.29 0.01 -1.26 -4.25 113.70 113.03 2dmp s SER 53 Ca 0.28 0.03 -0.02 0.00 1.31 0.00 0.00 55.95 57.54 2dmp s SER 53 Cb 0.03 -1.19 0.55 0.00 0.21 0.00 0.00 66.02 65.62 2dmp s SER 53 CO 0.10 -0.78 1.67 0.03 0.41 0.00 0.00 173.24 174.68 2dmp h ARG 54 N 0.43 0.26 -0.18 12.44 2.47 -1.98 -0.54 114.38 127.27 2dmp h ARG 54 Ca -0.44 -0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 58.19 2dmp h ARG 54 Cb 1.27 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.53 2dmp h ARG 54 CO 0.54 0.17 -0.17 0.07 0.56 0.00 0.00 179.97 181.13 2dmp h ARG 55 N 0.26 0.44 -0.75 0.04 0.11 -1.98 -1.83 114.38 110.68 2dmp h ARG 55 Ca 0.47 -0.23 0.14 0.00 0.10 0.00 0.00 59.98 60.46 2dmp h ARG 55 Cb 0.84 0.01 -0.14 0.00 1.11 0.00 0.00 29.97 31.79 2dmp h ARG 55 CO -0.56 0.79 -0.25 0.93 0.10 0.00 0.00 179.97 180.99 2dmp h GLU 56 N 0.10 -0.04 0.15 0.08 4.39 -1.49 -1.69 114.58 116.08 2dmp h GLU 56 Ca 0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2dmp h GLU 56 Cb 0.71 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2dmp h GLU 56 CO 0.04 -0.03 -0.07 0.82 -1.16 0.00 0.00 179.01 178.62 2dmp h ILE 57 N -0.04 0.95 -0.77 3.13 2.04 -1.43 -3.23 117.51 118.15 2dmp h ILE 57 Ca 0.34 -1.09 0.31 0.00 1.00 0.00 0.00 64.86 65.41 2dmp h ILE 57 Cb 0.57 1.55 -0.14 0.00 -0.74 0.00 0.00 36.82 38.06 2dmp h ILE 57 CO -0.79 0.23 0.36 -0.67 0.00 0.00 0.00 178.15 177.29 2dmp n ASP 58 N -4.93 0.22 0.14 1.72 2.03 -0.69 0.12 116.55 115.17 2dmp n ASP 58 Ca -0.08 1.29 -0.14 0.00 0.52 0.00 0.00 54.79 56.38 2dmp n ASP 58 Cb 0.27 -0.61 -0.08 0.00 -0.72 0.00 0.00 41.12 39.98 2dmp n ASP 58 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2dmp h SER 59 N 0.00 -0.28 0.15 1.67 0.02 -1.35 -0.33 113.55 113.43 2dmp h SER 59 Ca 0.63 -0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.49 2dmp h SER 59 Cb 1.63 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 64.20 2dmp h SER 59 CO -0.61 -0.06 -0.39 -0.25 -1.14 0.00 0.00 176.83 174.38 2dmp h TRP 60 N -0.49 -1.08 0.40 3.45 7.01 0.93 -2.23 115.95 123.94 2dmp h TRP 60 Ca -0.03 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 2dmp h TRP 60 Cb 0.37 0.46 -0.03 0.00 -2.10 0.00 0.00 29.16 27.86 2dmp h TRP 60 CO -0.02 -0.50 -0.44 0.74 -2.79 0.00 0.00 178.44 175.44 2dmp h PHE 61 N -0.64 -1.22 -0.98 2.65 -1.00 -1.35 0.67 116.94 115.08 2dmp h PHE 61 Ca 0.02 0.01 0.33 0.00 2.81 0.00 0.00 57.97 61.14 2dmp h PHE 61 Cb 0.66 0.48 -0.18 0.00 3.61 0.00 0.00 35.95 40.52 2dmp h PHE 61 CO -0.33 -0.59 0.26 0.45 -1.61 0.00 0.00 178.31 176.48 2dmp n SER 62 N -5.52 0.10 -0.01 2.17 2.88 -0.14 0.62 113.62 113.72 2dmp n SER 62 Ca -0.11 1.64 -0.16 0.00 -1.33 0.00 0.00 58.87 58.91 2dmp n SER 62 Cb 0.42 -0.69 -0.10 0.00 -0.75 0.00 0.00 64.21 63.09 2dmp n SER 62 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2dmp h GLU 63 N 0.00 0.41 -0.45 -1.46 5.08 -0.78 -3.18 114.58 114.20 2dmp h GLU 63 Ca 0.70 -0.38 0.05 0.00 -1.00 0.00 0.00 59.36 58.73 2dmp h GLU 63 Cb 1.67 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.94 2dmp h GLU 63 CO -0.84 1.04 -0.48 -0.09 -1.00 0.00 0.00 179.01 177.63 2dmp h ARG 64 N -0.07 -0.26 -0.90 2.33 9.65 0.25 0.28 114.38 125.66 2dmp h ARG 64 Ca -0.05 0.02 0.15 0.00 -1.10 0.00 0.00 59.98 59.00 2dmp h ARG 64 Cb 1.17 0.06 -0.09 0.00 -1.39 0.00 0.00 29.97 29.72 2dmp h ARG 64 CO 0.10 -0.17 0.50 0.00 2.80 0.00 0.00 179.97 183.20 2dmp h ARG 65 N -0.27 0.70 1.01 0.20 3.08 -1.49 -0.27 114.38 117.33 2dmp h ARG 65 Ca 0.08 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 2dmp h ARG 65 Cb 0.48 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 30.38 2dmp h ARG 65 CO -0.57 0.46 -0.48 0.87 -1.07 0.00 0.00 179.97 179.18 2dmp h LYS 66 N 0.72 -1.30 -1.00 0.04 1.57 -0.81 -2.51 116.57 113.28 2dmp h LYS 66 Ca 0.48 0.09 0.17 0.00 -1.87 0.00 0.00 60.65 59.52 2dmp h LYS 66 Cb 0.65 0.30 -0.10 0.00 0.08 0.00 0.00 32.23 33.16 2dmp h LYS 66 CO -0.34 -0.87 0.62 1.37 -0.57 0.00 0.00 179.45 179.66 2dmp h LEU 67 N -1.36 0.82 -0.07 2.94 8.10 -0.14 -0.08 115.31 125.53 2dmp h LEU 67 Ca -0.14 0.08 0.04 0.00 0.11 0.00 0.00 57.88 57.97 2dmp h LEU 67 Cb 1.04 -0.08 -0.05 0.00 -0.44 0.00 0.00 40.66 41.13 2dmp h LEU 67 CO 0.23 0.34 -0.22 -0.09 -4.11 0.00 0.00 178.44 174.59 2dmp h ARG 68 N 0.83 -0.30 -0.32 0.17 2.43 -0.84 -2.66 114.38 113.69 2dmp h ARG 68 Ca 0.55 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.69 2dmp h ARG 68 Cb 0.77 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 2dmp h ARG 68 CO -0.33 -0.20 0.02 0.22 -1.51 0.00 0.00 179.97 178.16 2dmp h ASP 69 N -0.31 0.55 -5.04 -3.80 3.58 -0.87 -3.47 116.42 107.05 2dmp h ASP 69 Ca 0.08 -0.29 -0.32 0.00 0.42 0.00 0.00 57.03 56.92 2dmp h ASP 69 Cb 0.43 -0.15 0.12 0.00 1.72 0.00 0.00 39.33 41.45 2dmp h ASP 69 CO -0.25 0.71 -0.59 -0.24 -2.88 0.00 0.00 179.24 175.99 2dmp n SER 70 N -4.56 -4.66 0.01 2.28 2.88 -0.13 -4.94 113.62 104.50 2dmp n SER 70 Ca -0.02 -0.47 -0.18 0.00 -1.33 0.00 0.00 58.87 56.87 2dmp n SER 70 Cb 0.25 -4.30 -0.11 0.00 -0.75 0.00 0.00 64.21 59.29 2dmp n SER 70 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 2dmp h MET 71 N -2.08 0.39 -6.09 -1.46 -1.53 -1.89 -3.46 114.93 98.81 2dmp h MET 71 Ca -0.48 -0.44 -0.58 0.00 -3.44 0.00 0.00 59.70 54.76 2dmp h MET 71 Cb 1.30 0.13 -0.11 0.00 -0.55 0.00 0.00 31.60 32.37 2dmp h MET 71 CO 0.45 1.11 -0.65 -2.00 0.14 0.00 0.00 176.91 175.97 2dmp s GLU 72 N -3.11 2.06 -0.06 0.39 -6.30 -1.26 -5.15 118.70 105.26 2dmp s GLU 72 Ca -0.13 -1.68 -0.23 0.00 -2.50 0.00 0.00 54.97 50.43 2dmp s GLU 72 Cb 0.03 -1.95 0.05 0.00 0.00 0.00 0.00 34.13 32.26 2dmp s GLU 72 CO 0.82 0.22 0.51 1.14 0.02 0.00 0.00 175.26 177.97 2dmp s GLN 73 N -3.67 0.84 -0.04 4.30 -2.07 -1.26 -5.03 119.66 112.73 2dmp s GLN 73 Ca 0.33 0.15 -0.02 0.00 -1.82 0.00 0.00 55.36 54.00 2dmp s GLN 73 Cb -0.02 0.39 0.02 0.00 -1.09 0.00 0.00 33.01 32.31 2dmp s GLN 73 CO 0.19 -0.23 0.09 0.00 -1.32 0.00 0.00 175.29 174.01 2dmp s ALA 74 N -1.03 -0.17 0.04 2.60 0.00 -1.26 -5.13 121.76 116.81 2dmp s ALA 74 Ca -0.10 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 2dmp s ALA 74 Cb -0.03 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 2dmp s ALA 74 CO 0.06 -0.08 1.14 0.14 0.00 0.00 0.00 175.76 177.02 2dmp s VAL 75 N 0.52 4.28 0.26 0.00 -7.23 -1.26 -5.02 120.40 111.95 2dmp s VAL 75 Ca -0.04 1.63 -0.14 0.00 -1.81 0.00 0.00 61.98 61.63 2dmp s VAL 75 Cb -0.06 -4.05 0.00 0.00 0.56 0.00 0.00 36.38 32.84 2dmp s VAL 75 CO -0.02 0.12 0.53 -1.48 -0.31 0.00 0.00 175.10 173.94 2dmp s LEU 76 N 1.08 0.25 -0.33 1.32 2.34 -1.26 -5.14 118.68 116.94 2dmp s LEU 76 Ca 0.57 -0.91 -0.04 0.00 0.06 0.00 0.00 54.13 53.80 2dmp s LEU 76 Cb -0.27 1.94 0.05 0.00 -0.56 0.00 0.00 46.19 47.35 2dmp s LEU 76 CO 0.29 -1.20 0.07 1.51 -1.06 0.00 0.00 176.35 175.96 2dmp s ASP 77 N -3.02 5.14 -0.10 1.48 -4.77 -1.26 -5.09 116.67 109.05 2dmp s ASP 77 Ca 0.21 -1.27 -0.03 0.00 -3.30 0.00 0.00 52.55 48.15 2dmp s ASP 77 Cb -0.02 -1.80 -0.03 0.00 -1.09 0.00 0.00 42.92 39.98 2dmp s ASP 77 CO 0.09 -0.32 0.02 -0.94 0.70 0.00 0.00 175.17 174.73 2dmp s SER 78 N 1.39 5.40 0.00 2.11 1.04 -1.26 -5.09 113.70 117.30 2dmp s SER 78 Ca -0.02 0.17 -0.30 0.00 0.48 0.00 0.00 55.95 56.28 2dmp s SER 78 Cb -0.20 -1.60 -0.04 0.00 0.10 0.00 0.00 66.02 64.29 2dmp s SER 78 CO 0.01 0.36 1.06 0.00 0.98 0.00 0.00 173.24 175.65 2dmp s MET 79 N -0.76 4.50 -0.76 4.02 0.23 -1.26 -4.97 119.30 120.29 2dmp s MET 79 Ca 0.12 1.53 0.01 0.00 -1.03 0.00 0.00 55.69 56.33 2dmp s MET 79 Cb -0.12 -3.44 0.35 0.00 -1.53 0.00 0.00 34.83 30.09 2dmp s MET 79 CO 0.02 -0.16 1.55 0.41 -2.03 0.00 0.00 175.02 174.81 2dmp n GLY 80 N 3.04 5.83 3.20 3.16 0.00 -1.26 -4.99 105.19 114.17 2dmp n GLY 80 Ca 0.07 -2.64 -0.24 0.00 0.00 0.00 0.00 46.02 43.22 2dmp n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmp s SER 81 N -2.17 2.14 -0.19 1.61 0.15 -1.26 -5.14 113.70 108.85 2dmp s SER 81 Ca 0.47 -0.44 -0.35 0.00 0.70 0.00 0.00 55.95 56.32 2dmp s SER 81 Cb 0.32 -0.19 0.15 0.00 -1.71 0.00 0.00 66.02 64.59 2dmp s SER 81 CO -0.23 0.15 1.35 -0.83 1.20 0.00 0.00 173.24 174.88 2dmp s GLY 82 N -0.91 -0.32 -0.19 9.45 0.00 -1.26 -5.02 107.32 109.07 2dmp s GLY 82 Ca 0.06 1.46 -0.15 0.00 0.00 0.00 0.00 44.72 46.09 2dmp s GLY 82 CO 0.01 0.44 0.49 0.54 0.00 0.00 0.00 173.10 174.57 2dmp s LYS 83 N -2.16 0.54 0.56 2.90 1.02 -1.26 -5.17 119.74 116.17 2dmp s LYS 83 Ca 0.12 0.74 -0.06 0.00 0.02 0.00 0.00 55.97 56.80 2dmp s LYS 83 Cb 0.02 0.20 -0.01 0.00 -0.52 0.00 0.00 37.83 37.52 2dmp s LYS 83 CO -0.04 -0.09 0.88 -1.54 -0.92 0.00 0.00 175.35 173.64 2dmp s SER 84 N 0.61 5.83 -0.01 2.83 1.04 -1.26 -5.08 113.70 117.66 2dmp s SER 84 Ca -0.03 0.84 -0.04 0.00 0.48 0.00 0.00 55.95 57.21 2dmp s SER 84 Cb -0.05 -1.93 -0.04 0.00 0.10 0.00 0.00 66.02 64.10 2dmp s SER 84 CO -0.04 -0.92 0.20 -0.83 0.98 0.00 0.00 173.24 172.64 2dmp s GLY 85 N -4.24 2.19 0.68 7.32 0.00 -1.26 -5.11 107.32 106.90 2dmp s GLY 85 Ca 0.52 -0.72 -0.11 0.00 0.00 0.00 0.00 44.72 44.41 2dmp s GLY 85 CO 0.46 -0.58 0.60 -1.55 0.00 0.00 0.00 173.10 172.03 2dmp n PRO 86 N 1.01 -2.19 -3.67 2.90 -0.04 -1.26 -5.08 135.00 126.67 2dmp n PRO 86 Ca -0.11 -0.96 -0.24 0.00 -0.04 0.00 0.00 63.50 62.15 2dmp n PRO 86 Cb 0.53 -0.90 -0.00 0.00 -0.04 0.00 0.00 33.50 33.08 2dmp n PRO 86 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dmp s SER 87 N -3.13 4.81 0.07 3.54 0.01 -1.26 -5.14 113.70 112.60 2dmp s SER 87 Ca 0.39 -1.04 0.07 0.00 1.31 0.00 0.00 55.95 56.68 2dmp s SER 87 Cb -0.04 0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.26 2dmp s SER 87 CO 0.30 -1.00 -0.19 -0.94 0.41 0.00 0.00 173.24 171.82 2dmp s SER 88 N -4.29 2.28 0.00 2.44 1.04 -1.26 -5.36 113.70 108.55 2dmp s SER 88 Ca 0.43 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.27 2dmp s SER 88 Cb -0.03 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.95 2dmp s SER 88 CO 0.26 0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.16