#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 4.21 -0.22 1.61 0.01 -1.26 -5.10 113.70 112.95 2dmp s SER 2 Ca 0.00 -1.42 -0.13 0.00 1.31 0.00 0.00 55.95 55.71 2dmp s SER 2 Cb 0.00 -1.36 -0.04 0.00 0.21 0.00 0.00 66.02 64.82 2dmp s SER 2 CO 0.00 -0.25 0.27 -0.94 0.41 0.00 0.00 173.24 172.73 2dmp s SER 3 N 1.23 6.27 0.00 2.44 1.04 -1.26 -4.95 113.70 118.47 2dmp s SER 3 Ca -0.04 0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.70 2dmp s SER 3 Cb -0.19 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.76 2dmp s SER 3 CO -0.07 0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.76 2dmp n GLY 4 N 4.09 0.71 3.30 7.32 0.00 -1.26 -5.17 105.19 114.18 2dmp n GLY 4 Ca -0.12 0.31 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 2dmp n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmp s SER 5 N 2.00 -0.33 0.12 1.61 1.04 -1.26 -5.17 113.70 111.71 2dmp s SER 5 Ca 0.00 0.41 0.05 0.00 0.48 0.00 0.00 55.95 56.89 2dmp s SER 5 Cb 0.00 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 2dmp s SER 5 CO 0.00 -0.38 0.03 -0.44 0.98 0.00 0.00 173.24 173.44 2dmp s SER 6 N -0.83 5.11 0.00 7.02 0.01 -1.26 -5.13 113.70 118.63 2dmp s SER 6 Ca -0.09 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 56.97 2dmp s SER 6 Cb -0.04 -1.23 0.00 0.00 0.21 0.00 0.00 66.02 64.96 2dmp s SER 6 CO 0.04 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2dmp n GLY 7 N 0.21 0.49 3.56 3.44 0.00 -1.26 -5.12 105.19 106.52 2dmp n GLY 7 Ca -0.10 -1.43 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 2dmp n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmp s ALA 8 N -3.79 -0.21 -0.02 4.61 0.00 -1.26 -5.17 121.76 115.92 2dmp s ALA 8 Ca 0.00 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.13 2dmp s ALA 8 Cb 0.00 1.07 -0.01 0.00 0.00 0.00 0.00 23.12 24.17 2dmp s ALA 8 CO 0.00 -0.84 -0.20 -0.47 0.00 0.00 0.00 175.76 174.25 2dmp s TYR 9 N -4.02 1.85 -2.00 0.00 6.14 -1.26 -5.00 117.35 113.06 2dmp s TYR 9 Ca 0.22 -0.39 0.03 0.00 0.64 0.00 0.00 57.07 57.57 2dmp s TYR 9 Cb -0.00 -1.20 0.15 0.00 0.42 0.00 0.00 41.96 41.33 2dmp s TYR 9 CO 0.08 -0.06 0.62 -0.35 0.64 0.00 0.00 175.55 176.49 2dmp n PRO 10 N 2.67 0.49 -1.85 4.97 -0.04 -1.26 -4.78 135.00 135.20 2dmp n PRO 10 Ca -0.16 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.88 2dmp n PRO 10 Cb 0.53 -1.08 -0.03 0.00 -0.04 0.00 0.00 33.50 32.88 2dmp n PRO 10 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2dmp s ASP 11 N -1.59 6.05 0.38 3.54 -4.77 -1.26 -4.97 116.67 114.05 2dmp s ASP 11 Ca 0.04 1.90 -0.14 0.00 -3.30 0.00 0.00 52.55 51.04 2dmp s ASP 11 Cb 0.02 -2.52 -0.08 0.00 -1.09 0.00 0.00 42.92 39.24 2dmp s ASP 11 CO 0.03 -1.48 0.80 -0.36 0.70 0.00 0.00 175.17 174.85 2dmp s PHE 12 N 6.20 3.40 0.14 2.11 0.40 -1.26 -5.09 117.98 123.89 2dmp s PHE 12 Ca 0.85 1.24 0.03 0.00 -0.60 0.00 0.00 56.93 58.45 2dmp s PHE 12 Cb -0.31 -2.57 -0.04 0.00 0.51 0.00 0.00 43.02 40.60 2dmp s PHE 12 CO 0.34 -0.04 -0.07 0.00 0.70 0.00 0.00 175.22 176.15 2dmp s ALA 13 N -2.20 1.33 -0.02 5.36 0.00 -1.26 -5.08 121.76 119.89 2dmp s ALA 13 Ca 0.55 -1.49 -0.26 0.00 0.00 0.00 0.00 51.96 50.76 2dmp s ALA 13 Cb -0.10 0.19 -0.20 0.00 0.00 0.00 0.00 23.12 23.02 2dmp s ALA 13 CO 0.23 -0.18 1.25 -1.00 0.00 0.00 0.00 175.76 176.05 2dmp h PRO 14 N 2.79 -0.03 -7.48 0.00 0.13 -2.07 -3.45 132.00 121.89 2dmp h PRO 14 Ca -0.36 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.32 2dmp h PRO 14 Cb 1.19 0.01 0.14 0.00 0.13 0.00 0.00 31.00 32.47 2dmp h PRO 14 CO 0.64 0.43 0.28 -0.65 -0.23 0.00 0.00 178.00 178.47 2dmp s GLN 15 N -4.25 0.79 -0.05 0.86 -1.52 -1.26 -5.08 119.66 109.15 2dmp s GLN 15 Ca -0.16 0.25 0.04 0.00 -1.95 0.00 0.00 55.36 53.54 2dmp s GLN 15 Cb 0.02 -1.80 0.00 0.00 -0.22 0.00 0.00 33.01 31.01 2dmp s GLN 15 CO 0.66 -2.43 -0.15 0.15 -0.25 0.00 0.00 175.29 173.27 2dmp s LYS 16 N -5.28 1.68 -0.06 2.91 -0.14 -1.26 -5.04 119.74 112.56 2dmp s LYS 16 Ca 0.65 -0.53 -0.19 0.00 -1.36 0.00 0.00 55.97 54.55 2dmp s LYS 16 Cb -0.14 -1.45 -0.30 0.00 -1.68 0.00 0.00 37.83 34.26 2dmp s LYS 16 CO 0.54 0.17 0.78 0.74 -0.76 0.00 0.00 175.35 176.82 2dmp h PHE 17 N 6.45 0.56 -1.46 3.18 0.04 -1.99 -3.32 116.94 120.40 2dmp h PHE 17 Ca -0.32 -0.41 0.47 0.00 2.80 0.00 0.00 57.97 60.51 2dmp h PHE 17 Cb 1.18 -0.02 -0.12 0.00 2.20 0.00 0.00 35.95 39.18 2dmp h PHE 17 CO 0.45 1.44 0.97 1.57 -0.60 0.00 0.00 178.31 182.13 2dmp h LYS 18 N -0.28 0.04 -6.56 1.51 2.10 -2.06 -3.38 116.57 107.94 2dmp h LYS 18 Ca -0.22 -0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 57.91 2dmp h LYS 18 Cb 1.76 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 33.07 2dmp h LYS 18 CO 0.13 0.03 -0.08 -1.21 -2.00 0.00 0.00 179.45 176.32 2dmp s GLU 19 N -5.20 3.67 0.38 0.07 0.41 -1.25 -5.11 118.70 111.67 2dmp s GLU 19 Ca -0.07 0.12 0.04 0.00 -0.41 0.00 0.00 54.97 54.65 2dmp s GLU 19 Cb 0.30 -2.59 -0.04 0.00 -1.78 0.00 0.00 34.13 30.02 2dmp s GLU 19 CO 0.84 0.16 0.10 0.15 -0.49 0.00 0.00 175.26 176.02 2dmp s LYS 20 N -3.58 1.82 0.08 1.61 1.02 -1.26 -4.96 119.74 114.47 2dmp s LYS 20 Ca 0.46 -2.08 -0.04 0.00 0.02 0.00 0.00 55.97 54.33 2dmp s LYS 20 Cb -0.11 -0.68 -0.05 0.00 -0.52 0.00 0.00 37.83 36.47 2dmp s LYS 20 CO 0.30 -0.38 0.30 0.95 -0.92 0.00 0.00 175.35 175.60 2dmp s THR 21 N -3.27 5.27 0.29 2.17 -4.23 -1.26 -4.95 115.64 109.67 2dmp s THR 21 Ca 0.28 -0.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.74 2dmp s THR 21 Cb 0.05 -3.61 0.36 0.00 1.34 0.00 0.00 72.50 70.64 2dmp s THR 21 CO 0.14 0.16 1.60 -0.61 -0.54 0.00 0.00 174.62 175.37 2dmp h GLN 22 N 3.22 0.07 0.18 3.99 4.15 -2.01 -0.90 115.11 123.80 2dmp h GLN 22 Ca -0.47 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 58.94 2dmp h GLN 22 Cb 1.17 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.84 2dmp h GLN 22 CO 0.72 0.05 -0.14 0.78 -1.93 0.00 0.00 178.83 178.30 2dmp h GLY 23 N 0.07 -0.74 -0.45 2.39 0.00 -1.98 0.60 103.07 102.96 2dmp h GLY 23 Ca 0.56 0.32 0.11 0.00 0.00 0.00 0.00 47.33 48.32 2dmp h GLY 23 CO -0.81 -0.26 -0.32 1.46 0.00 0.00 0.00 176.54 176.62 2dmp h GLN 24 N -0.31 -0.13 -0.65 4.80 4.20 -1.70 0.28 115.11 121.59 2dmp h GLN 24 Ca -0.02 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 2dmp h GLN 24 Cb 0.26 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2dmp h GLN 24 CO 0.00 -0.09 0.40 0.28 -0.67 0.00 0.00 178.83 178.76 2dmp h VAL 25 N -0.13 1.18 -0.75 -0.54 2.07 -1.13 -2.35 116.25 114.59 2dmp h VAL 25 Ca 0.25 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.46 2dmp h VAL 25 Cb 0.55 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 2dmp h VAL 25 CO -0.70 0.19 0.43 0.50 0.02 0.00 0.00 177.57 178.01 2dmp h LYS 26 N 0.89 0.75 -0.77 1.57 3.11 0.39 0.27 116.57 122.78 2dmp h LYS 26 Ca 0.24 -0.05 -0.06 0.00 -2.81 0.00 0.00 60.65 57.98 2dmp h LYS 26 Cb -0.05 -0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 30.98 2dmp h LYS 26 CO -0.05 0.50 0.26 0.82 -2.81 0.00 0.00 179.45 178.17 2dmp h ILE 27 N 0.77 1.26 -0.28 2.00 2.04 -0.80 -1.93 117.51 120.58 2dmp h ILE 27 Ca 0.34 -0.89 -0.16 0.00 1.00 0.00 0.00 64.86 65.16 2dmp h ILE 27 Cb 0.23 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2dmp h ILE 27 CO -0.20 0.35 -0.44 -0.07 0.00 0.00 0.00 178.15 177.80 2dmp h LEU 28 N 1.13 0.87 -0.28 1.44 3.38 -1.14 -2.65 115.31 118.07 2dmp h LEU 28 Ca 0.25 -0.52 0.02 0.00 0.09 0.00 0.00 57.88 57.72 2dmp h LEU 28 Cb 0.28 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2dmp h LEU 28 CO -0.01 1.22 0.14 -0.33 0.09 0.00 0.00 178.44 179.55 2dmp h GLU 29 N 0.54 0.29 -0.67 1.13 4.39 -0.32 0.23 114.58 120.18 2dmp h GLU 29 Ca 0.02 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2dmp h GLU 29 Cb 1.04 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.59 2dmp h GLU 29 CO 0.10 0.19 0.34 0.22 -1.16 0.00 0.00 179.01 178.70 2dmp h ASP 30 N 0.30 0.85 -0.13 1.42 3.58 -1.37 0.38 116.42 121.44 2dmp h ASP 30 Ca 0.11 -0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.41 2dmp h ASP 30 Cb 0.03 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 40.86 2dmp h ASP 30 CO -0.07 0.71 -0.21 0.28 -2.88 0.00 0.00 179.24 177.06 2dmp h SER 31 N 0.95 0.41 0.46 2.28 0.02 -1.04 -2.87 113.55 113.76 2dmp h SER 31 Ca 0.24 -0.53 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 2dmp h SER 31 Cb 0.07 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2dmp h SER 31 CO -0.03 0.87 -0.22 0.15 -1.14 0.00 0.00 176.83 176.46 2dmp h PHE 32 N -0.03 -0.57 -1.25 3.45 3.57 -0.33 -0.31 116.94 121.48 2dmp h PHE 32 Ca 0.01 -0.01 0.37 0.00 3.53 0.00 0.00 57.97 61.87 2dmp h PHE 32 Cb 0.79 0.19 -0.10 0.00 2.79 0.00 0.00 35.95 39.61 2dmp h PHE 32 CO 0.10 -0.26 0.83 -0.07 -2.23 0.00 0.00 178.31 176.67 2dmp h LEU 33 N -1.05 0.26 0.01 0.59 3.38 -0.38 1.01 115.31 119.13 2dmp h LEU 33 Ca -0.06 0.09 -0.24 0.00 0.09 0.00 0.00 57.88 57.76 2dmp h LEU 33 Cb 0.56 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 2dmp h LEU 33 CO 0.10 -0.05 -1.24 0.07 0.09 0.00 0.00 178.44 177.41 2dmp h LYS 34 N 0.17 0.01 -1.19 1.13 2.10 -1.45 -3.44 116.57 113.90 2dmp h LYS 34 Ca 0.71 -0.02 0.01 0.00 -2.00 0.00 0.00 60.65 59.35 2dmp h LYS 34 Cb 2.25 0.01 -0.23 0.00 -0.90 0.00 0.00 32.23 33.35 2dmp h LYS 34 CO -0.29 0.85 -0.37 0.45 -2.00 0.00 0.00 179.45 178.09 2dmp s SER 35 N -6.53 -1.07 0.26 7.07 0.15 0.34 -5.03 113.70 108.90 2dmp s SER 35 Ca -0.01 0.40 -0.01 0.00 0.70 0.00 0.00 55.95 57.03 2dmp s SER 35 Cb 0.09 1.87 0.51 0.00 -1.71 0.00 0.00 66.02 66.77 2dmp s SER 35 CO 0.82 -0.29 1.78 0.28 1.20 0.00 0.00 173.24 177.03 2dmp h SER 36 N 8.04 0.60 -3.30 5.45 0.02 -1.63 -3.34 113.55 119.39 2dmp h SER 36 Ca -0.13 0.08 -0.73 0.00 -0.84 0.00 0.00 61.79 60.16 2dmp h SER 36 Cb 1.17 -0.03 -0.27 0.00 0.14 0.00 0.00 62.40 63.41 2dmp h SER 36 CO 0.22 0.28 -0.37 -0.36 -1.14 0.00 0.00 176.83 175.47 2dmp s PHE 37 N -5.98 3.34 1.24 3.45 0.40 -1.26 -4.92 117.98 114.24 2dmp s PHE 37 Ca -0.12 -1.52 -0.20 0.00 -0.60 0.00 0.00 56.93 54.48 2dmp s PHE 37 Cb 0.21 -3.37 0.30 0.00 0.51 0.00 0.00 43.02 40.67 2dmp s PHE 37 CO 0.78 -0.93 1.12 -1.25 0.70 0.00 0.00 175.22 175.64 2dmp s PRO 38 N 1.47 -1.50 0.12 0.24 0.04 -1.25 -5.09 135.00 129.03 2dmp s PRO 38 Ca 0.04 -0.17 0.06 0.00 0.04 0.00 0.00 61.00 60.97 2dmp s PRO 38 Cb -0.26 -1.57 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2dmp s PRO 38 CO 0.02 -3.87 -0.16 -0.08 0.04 0.00 0.00 177.00 172.95 2dmp s THR 39 N -3.02 1.43 0.29 1.26 -1.32 -1.26 -4.97 115.64 108.05 2dmp s THR 39 Ca 0.72 -1.68 0.16 0.00 -1.21 0.00 0.00 61.69 59.68 2dmp s THR 39 Cb -0.08 -1.53 0.28 0.00 -1.51 0.00 0.00 72.50 69.66 2dmp s THR 39 CO 0.56 -0.34 1.27 0.00 -2.21 0.00 0.00 174.62 173.90 2dmp n GLN 40 N 0.65 -0.05 0.26 7.08 1.13 -1.26 0.35 117.38 125.54 2dmp n GLN 40 Ca -0.16 1.11 -0.13 0.00 -1.94 0.00 0.00 57.00 55.88 2dmp n GLN 40 Cb 0.56 -1.99 -0.07 0.00 0.11 0.00 0.00 30.24 28.86 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 1.61 -0.70 -0.02 -1.58 0.00 -1.99 -2.55 119.26 114.02 2dmp h ALA 41 Ca 0.67 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.40 2dmp h ALA 41 Cb 1.76 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 2dmp h ALA 41 CO -0.63 -0.72 -0.12 1.49 0.00 0.00 0.00 179.25 179.28 2dmp h GLU 42 N -1.06 -0.13 -0.88 0.00 4.57 -0.49 -2.55 114.58 114.05 2dmp h GLU 42 Ca -0.07 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.24 2dmp h GLU 42 Cb 0.61 0.03 -0.13 0.00 -0.16 0.00 0.00 28.75 29.10 2dmp h GLU 42 CO 0.12 -0.08 -0.45 -0.07 -1.18 0.00 0.00 179.01 177.34 2dmp h LEU 43 N -0.13 -1.65 -1.00 1.64 3.38 -1.43 0.45 115.31 116.57 2dmp h LEU 43 Ca 0.01 0.30 0.31 0.00 0.09 0.00 0.00 57.88 58.58 2dmp h LEU 43 Cb 0.15 0.79 -0.19 0.00 0.09 0.00 0.00 40.66 41.50 2dmp h LEU 43 CO -0.09 -0.29 0.14 -0.78 0.09 0.00 0.00 178.44 177.51 2dmp h ASP 44 N -0.06 -0.31 1.10 -0.43 1.82 -1.06 1.79 116.42 119.26 2dmp h ASP 44 Ca 0.25 0.28 -0.14 0.00 -0.39 0.00 0.00 57.03 57.03 2dmp h ASP 44 Cb 0.54 0.45 -0.02 0.00 0.68 0.00 0.00 39.33 40.97 2dmp h ASP 44 CO -0.89 -0.38 -0.67 -0.09 -1.61 0.00 0.00 179.24 175.60 2dmp h ARG 45 N 0.00 0.00 0.78 0.28 2.43 0.18 -3.30 114.38 114.76 2dmp h ARG 45 Ca 0.66 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.79 2dmp h ARG 45 Cb 1.48 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.04 2dmp h ARG 45 CO -0.90 0.67 -0.37 -0.07 -1.51 0.00 0.00 179.97 177.78 2dmp h LEU 46 N 0.00 -0.88 -0.35 3.80 3.38 0.47 0.06 115.31 121.78 2dmp h LEU 46 Ca -0.01 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.03 2dmp h LEU 46 Cb 1.39 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 42.32 2dmp h LEU 46 CO 0.09 -0.53 -0.33 0.03 0.09 0.00 0.00 178.44 177.79 2dmp h ARG 47 N -1.25 -0.14 -0.19 1.13 3.08 -1.22 0.26 114.38 116.06 2dmp h ARG 47 Ca -0.11 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.00 2dmp h ARG 47 Cb 0.80 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.83 2dmp h ARG 47 CO 0.18 -0.10 -0.16 -0.24 -1.07 0.00 0.00 179.97 178.58 2dmp h VAL 48 N -0.15 0.56 -0.05 2.04 3.04 -1.64 2.09 116.25 122.13 2dmp h VAL 48 Ca 0.06 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.77 2dmp h VAL 48 Cb 0.30 0.56 -0.04 0.00 -2.01 0.00 0.00 31.29 30.11 2dmp h VAL 48 CO -0.41 0.00 -0.32 -0.33 -1.01 0.00 0.00 177.57 175.50 2dmp h GLU 49 N -0.17 -0.35 0.00 4.17 5.08 -0.03 -0.19 114.58 123.09 2dmp h GLU 49 Ca 0.12 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2dmp h GLU 49 Cb 0.34 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2dmp h GLU 49 CO -0.29 -0.24 0.00 0.25 -1.00 0.00 0.00 179.01 177.73 2dmp n THR 50 N -4.26 0.17 -3.49 1.13 -2.24 0.84 -4.90 114.28 101.53 2dmp n THR 50 Ca -0.04 0.04 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 2dmp n THR 50 Cb 0.23 -0.63 0.08 0.00 -2.10 0.00 0.00 70.33 67.91 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 -1.24 -7.15 -4.39 -0.78 4.76 0.66 -4.88 118.16 105.14 2dmp n LYS 51 Ca 0.13 0.82 -0.24 0.00 -2.87 0.00 0.00 58.31 56.15 2dmp n LYS 51 Cb 0.18 -5.80 -0.11 0.00 -1.84 0.00 0.00 35.03 27.46 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 -6.71 2.46 1.40 -0.35 1.43 0.15 -4.97 118.68 112.09 2dmp s LEU 52 Ca 0.28 -0.89 -0.22 0.00 -1.03 0.00 0.00 54.13 52.27 2dmp s LEU 52 Cb -0.13 -1.01 0.36 0.00 0.03 0.00 0.00 46.19 45.44 2dmp s LEU 52 CO 0.71 0.04 0.95 -0.44 0.23 0.00 0.00 176.35 177.84 2dmp s SER 53 N -2.81 -0.88 -0.07 2.29 0.01 -1.26 -4.37 113.70 106.61 2dmp s SER 53 Ca 0.20 0.86 -0.10 0.00 1.31 0.00 0.00 55.95 58.22 2dmp s SER 53 Cb -0.06 -1.22 -0.30 0.00 0.21 0.00 0.00 66.02 64.65 2dmp s SER 53 CO 0.09 -5.25 0.59 -0.09 0.41 0.00 0.00 173.24 168.98 2dmp h ARG 54 N -3.35 0.36 -0.45 12.44 9.65 -1.99 -3.33 114.38 127.71 2dmp h ARG 54 Ca -0.44 -0.62 -0.12 0.00 -1.10 0.00 0.00 59.98 57.70 2dmp h ARG 54 Cb 1.34 0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 30.13 2dmp h ARG 54 CO 0.29 1.30 -0.18 -0.09 2.80 0.00 0.00 179.97 184.09 2dmp h ARG 55 N 0.09 0.91 0.09 0.20 2.43 -2.00 -2.85 114.38 113.24 2dmp h ARG 55 Ca -0.37 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.42 2dmp h ARG 55 Cb 2.07 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 31.57 2dmp h ARG 55 CO 0.15 1.04 -0.28 0.93 -1.51 0.00 0.00 179.97 180.30 2dmp h GLU 56 N 0.75 -0.41 -0.83 0.20 4.39 -1.96 -2.25 114.58 114.47 2dmp h GLU 56 Ca 0.10 0.03 0.17 0.00 0.34 0.00 0.00 59.36 60.00 2dmp h GLU 56 Cb 0.75 0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 29.38 2dmp h GLU 56 CO 0.06 -0.27 0.36 0.82 -1.16 0.00 0.00 179.01 178.82 2dmp h ILE 57 N -0.42 0.60 -0.93 3.13 2.04 -1.67 -0.53 117.51 119.73 2dmp h ILE 57 Ca -0.01 -0.16 0.27 0.00 1.00 0.00 0.00 64.86 65.96 2dmp h ILE 57 Cb 0.42 0.09 -0.16 0.00 -0.74 0.00 0.00 36.82 36.42 2dmp h ILE 57 CO -0.14 0.09 0.15 -0.78 0.00 0.00 0.00 178.15 177.47 2dmp h ASP 58 N 0.47 -0.22 -0.01 1.72 3.58 -1.16 0.73 116.42 121.52 2dmp h ASP 58 Ca 0.48 0.24 -0.01 0.00 0.42 0.00 0.00 57.03 58.16 2dmp h ASP 58 Cb 0.80 0.37 0.00 0.00 1.72 0.00 0.00 39.33 42.22 2dmp h ASP 58 CO -0.45 -0.28 -0.03 -1.28 -2.88 0.00 0.00 179.24 174.32 2dmp h SER 59 N 0.09 0.05 -0.66 2.28 0.87 -0.92 -2.61 113.55 112.64 2dmp h SER 59 Ca 0.59 -0.60 0.11 0.00 -1.23 0.00 0.00 61.79 60.66 2dmp h SER 59 Cb 1.25 -0.02 -0.12 0.00 -0.44 0.00 0.00 62.40 63.08 2dmp h SER 59 CO -0.79 0.64 -0.39 -0.25 -0.53 0.00 0.00 176.83 175.51 2dmp h TRP 60 N -0.53 -1.10 0.08 2.24 7.01 -0.59 -0.77 115.95 122.27 2dmp h TRP 60 Ca -0.00 0.08 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 2dmp h TRP 60 Cb 0.63 0.58 0.00 0.00 -2.10 0.00 0.00 29.16 28.27 2dmp h TRP 60 CO 0.13 -0.40 -0.04 0.74 -2.79 0.00 0.00 178.44 176.09 2dmp h PHE 61 N -0.16 -0.09 -0.84 2.65 -1.00 -1.30 0.24 116.94 116.45 2dmp h PHE 61 Ca 0.23 -0.00 0.18 0.00 2.81 0.00 0.00 57.97 61.19 2dmp h PHE 61 Cb 0.56 0.03 -0.16 0.00 3.61 0.00 0.00 35.95 40.00 2dmp h PHE 61 CO -0.71 -0.00 -0.12 0.77 -1.61 0.00 0.00 178.31 176.63 2dmp h SER 62 N -0.16 -0.63 0.04 2.17 0.02 -0.79 -1.53 113.55 112.68 2dmp h SER 62 Ca -0.01 0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2dmp h SER 62 Cb 0.13 0.47 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2dmp h SER 62 CO 0.02 -0.26 -0.02 -0.33 -1.14 0.00 0.00 176.83 175.09 2dmp h GLU 63 N 0.03 -0.05 -1.59 3.45 5.08 -1.01 -3.24 114.58 117.24 2dmp h GLU 63 Ca 0.43 0.00 0.46 0.00 -1.00 0.00 0.00 59.36 59.26 2dmp h GLU 63 Cb 0.73 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.93 2dmp h GLU 63 CO -0.82 0.62 1.29 -2.13 -1.00 0.00 0.00 179.01 176.96 2dmp n ARG 64 N -4.76 0.00 -0.08 2.33 3.00 0.83 0.21 116.66 118.20 2dmp n ARG 64 Ca -0.08 1.01 -0.13 0.00 -0.00 0.00 0.00 57.85 58.64 2dmp n ARG 64 Cb 0.34 -2.38 -0.05 0.00 0.00 0.00 0.00 32.46 30.36 2dmp n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dmp h ARG 65 N 0.00 0.56 -0.02 -0.14 3.08 -1.34 -2.51 114.38 114.02 2dmp h ARG 65 Ca 0.75 -0.30 -0.22 0.00 0.07 0.00 0.00 59.98 60.28 2dmp h ARG 65 Cb 3.33 0.01 0.00 0.00 0.08 0.00 0.00 29.97 33.39 2dmp h ARG 65 CO -0.01 0.89 -0.89 1.57 -1.07 0.00 0.00 179.97 180.46 2dmp h LYS 66 N 0.26 0.40 0.77 0.04 2.10 0.23 -3.33 116.57 117.03 2dmp h LYS 66 Ca 0.03 -0.41 -0.04 0.00 -2.00 0.00 0.00 60.65 58.24 2dmp h LYS 66 Cb 0.80 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 2dmp h LYS 66 CO 0.06 1.07 -0.40 -0.07 -2.00 0.00 0.00 179.45 178.11 2dmp h LEU 67 N 0.23 -0.97 -0.78 7.07 3.38 -1.10 0.95 115.31 124.10 2dmp h LEU 67 Ca -0.07 0.04 0.21 0.00 0.09 0.00 0.00 57.88 58.15 2dmp h LEU 67 Cb 1.52 0.26 -0.14 0.00 0.09 0.00 0.00 40.66 42.39 2dmp h LEU 67 CO 0.15 -0.66 0.00 -1.14 0.09 0.00 0.00 178.44 176.89 2dmp n ARG 68 N -5.56 -0.06 -0.02 1.13 0.63 -0.95 0.49 116.66 112.32 2dmp n ARG 68 Ca -0.14 1.17 -0.16 0.00 -0.92 0.00 0.00 57.85 57.80 2dmp n ARG 68 Cb 0.44 -1.84 -0.12 0.00 0.45 0.00 0.00 32.46 31.38 2dmp n ARG 68 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2dmp h ASP 69 N 0.00 0.21 -1.00 6.15 3.58 -1.63 -3.33 116.42 120.41 2dmp h ASP 69 Ca 0.46 -0.83 0.22 0.00 0.42 0.00 0.00 57.03 57.30 2dmp h ASP 69 Cb 0.94 -0.07 -0.19 0.00 1.72 0.00 0.00 39.33 41.74 2dmp h ASP 69 CO -0.73 1.02 -0.18 -0.24 -2.88 0.00 0.00 179.24 176.22 2dmp n SER 70 N -4.48 -0.30 -4.22 2.28 2.88 0.18 -3.54 113.62 106.42 2dmp n SER 70 Ca -0.10 1.71 -0.25 0.00 -1.33 0.00 0.00 58.87 58.90 2dmp n SER 70 Cb 0.54 -0.54 -0.14 0.00 -0.75 0.00 0.00 64.21 63.31 2dmp n SER 70 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2dmp s MET 71 N -6.20 1.39 -1.37 -1.46 -1.94 -0.55 -4.75 119.30 104.42 2dmp s MET 71 Ca -0.14 -0.84 -0.08 0.00 -1.71 0.00 0.00 55.69 52.91 2dmp s MET 71 Cb 0.28 -1.45 0.03 0.00 2.01 0.00 0.00 34.83 35.70 2dmp s MET 71 CO 0.78 0.38 1.08 -1.91 -0.01 0.00 0.00 175.02 175.33 2dmp n GLU 72 N 2.10 -6.98 -0.08 2.03 2.13 -1.26 -4.62 120.64 113.96 2dmp n GLU 72 Ca -0.17 0.76 -0.09 0.00 0.66 0.00 0.00 57.16 58.33 2dmp n GLU 72 Cb 0.53 -5.74 -0.02 0.00 0.27 0.00 0.00 31.44 26.49 2dmp n GLU 72 CO 0.00 0.00 0.00 -0.56 -0.41 0.00 0.00 177.13 176.16 2dmp h GLN 73 N -2.38 0.37 -6.63 5.31 3.07 -1.67 -3.44 115.11 109.73 2dmp h GLN 73 Ca -0.58 -0.02 -0.40 0.00 0.09 0.00 0.00 58.65 57.74 2dmp h GLN 73 Cb 1.37 -0.08 0.21 0.00 0.08 0.00 0.00 27.48 29.05 2dmp h GLN 73 CO 0.58 0.25 -0.71 0.00 0.09 0.00 0.00 178.83 179.03 2dmp n ALA 74 N -2.18 -3.50 -2.17 0.06 0.00 -1.26 -4.96 120.51 106.50 2dmp n ALA 74 Ca -0.01 -1.32 -0.19 0.00 0.00 0.00 0.00 53.44 51.92 2dmp n ALA 74 Cb 0.03 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.01 2dmp n ALA 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2dmp s VAL 75 N -2.21 3.00 0.04 0.00 -7.23 -1.26 -5.07 120.40 107.66 2dmp s VAL 75 Ca 0.55 -1.17 -0.30 0.00 -1.81 0.00 0.00 61.98 59.25 2dmp s VAL 75 Cb -0.12 -3.05 -0.05 0.00 0.56 0.00 0.00 36.38 33.71 2dmp s VAL 75 CO 0.59 -0.03 1.23 -0.22 -0.31 0.00 0.00 175.10 176.36 2dmp s LEU 76 N -4.22 4.35 -0.13 1.32 0.20 -1.26 -5.03 118.68 113.92 2dmp s LEU 76 Ca 0.50 2.02 0.01 0.00 0.69 0.00 0.00 54.13 57.35 2dmp s LEU 76 Cb -0.07 -3.57 -0.01 0.00 -0.43 0.00 0.00 46.19 42.11 2dmp s LEU 76 CO 0.30 -0.52 -0.15 1.51 -0.29 0.00 0.00 176.35 177.20 2dmp s ASP 77 N 1.19 3.79 -0.06 3.68 1.47 -1.26 -5.03 116.67 120.46 2dmp s ASP 77 Ca 0.59 -0.39 -0.25 0.00 1.18 0.00 0.00 52.55 53.68 2dmp s ASP 77 Cb -0.30 -1.57 -0.20 0.00 -0.34 0.00 0.00 42.92 40.51 2dmp s ASP 77 CO 0.28 0.15 1.05 -1.28 0.68 0.00 0.00 175.17 176.06 2dmp h SER 78 N 6.78 -0.05 -5.33 2.11 0.87 -2.07 -3.48 113.55 112.38 2dmp h SER 78 Ca -0.25 -0.57 -0.35 0.00 -1.23 0.00 0.00 61.79 59.40 2dmp h SER 78 Cb 1.22 0.01 0.13 0.00 -0.44 0.00 0.00 62.40 63.32 2dmp h SER 78 CO 0.54 0.57 -0.62 0.80 -0.53 0.00 0.00 176.83 177.59 2dmp n MET 79 N -4.82 -6.95 0.00 2.24 0.00 -1.26 -4.96 117.12 101.37 2dmp n MET 79 Ca -0.09 0.75 0.00 0.00 0.00 0.00 0.00 57.70 58.36 2dmp n MET 79 Cb 0.30 -5.53 0.00 0.00 0.00 0.00 0.00 33.22 27.99 2dmp n MET 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2dmp n GLY 80 N -1.73 -0.03 3.50 -5.12 0.00 -1.26 -5.10 105.19 95.45 2dmp n GLY 80 Ca -0.04 0.73 -0.46 0.00 0.00 0.00 0.00 46.02 46.25 2dmp n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dmp n SER 81 N 0.00 2.26 -4.00 1.61 7.64 -1.26 -4.86 113.62 115.01 2dmp n SER 81 Ca 0.00 0.19 -0.43 0.00 1.01 0.00 0.00 58.87 59.64 2dmp n SER 81 Cb 0.00 -1.35 0.01 0.00 -1.01 0.00 0.00 64.21 61.86 2dmp n SER 81 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmp n GLY 82 N 6.29 5.18 3.07 0.23 0.00 -1.26 -4.97 105.19 113.74 2dmp n GLY 82 Ca 0.40 -2.67 -0.27 0.00 0.00 0.00 0.00 46.02 43.48 2dmp n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dmp s LYS 83 N -2.81 2.07 -0.02 1.61 2.20 -1.26 -5.04 119.74 116.49 2dmp s LYS 83 Ca 0.31 -0.53 -0.23 0.00 -0.36 0.00 0.00 55.97 55.16 2dmp s LYS 83 Cb 0.05 -1.68 -0.16 0.00 -1.51 0.00 0.00 37.83 34.53 2dmp s LYS 83 CO 0.11 0.04 1.06 1.03 -0.36 0.00 0.00 175.35 177.22 2dmp h SER 84 N 7.02 -0.31 -0.18 1.43 0.87 -2.05 -3.49 113.55 116.84 2dmp h SER 84 Ca -0.28 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 2dmp h SER 84 Cb 1.19 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2dmp h SER 84 CO 0.47 0.13 0.00 0.61 -0.53 0.00 0.00 176.83 177.51 2dmp n GLY 85 N 0.06 -1.34 3.55 5.77 0.00 -1.26 -4.64 105.19 107.33 2dmp n GLY 85 Ca -0.09 -1.28 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 2dmp n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmp s PRO 86 N 0.00 2.59 -0.16 1.61 0.04 -1.26 -4.80 135.00 133.02 2dmp s PRO 86 Ca 0.00 0.20 -0.13 0.00 0.04 0.00 0.00 61.00 61.11 2dmp s PRO 86 Cb 0.00 -4.70 -0.09 0.00 0.04 0.00 0.00 34.50 29.75 2dmp s PRO 86 CO 0.00 -3.03 -0.01 0.77 0.04 0.00 0.00 177.00 174.77 2dmp h SER 87 N 13.29 0.00 -5.01 6.66 0.02 -2.03 -3.49 113.55 123.00 2dmp h SER 87 Ca -0.10 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.60 2dmp h SER 87 Cb 1.09 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.45 2dmp h SER 87 CO 1.21 0.98 0.08 -0.55 -1.14 0.00 0.00 176.83 177.42 2dmp s SER 88 N -6.10 -0.52 0.00 3.07 0.15 -1.26 -5.29 113.70 103.75 2dmp s SER 88 Ca -0.18 0.41 0.30 0.00 0.70 0.00 0.00 55.95 57.17 2dmp s SER 88 Cb 0.03 0.50 1.46 0.00 -1.71 0.00 0.00 66.02 66.30 2dmp s SER 88 CO 0.34 -0.65 1.98 0.61 1.20 0.00 0.00 173.24 176.71