#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 1.98 0.03 1.61 1.04 -1.26 -5.14 113.70 111.96 2dmp s SER 2 Ca 0.00 -0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.12 2dmp s SER 2 Cb 0.00 -0.74 -0.02 0.00 0.10 0.00 0.00 66.02 65.36 2dmp s SER 2 CO 0.00 0.09 -0.06 -0.55 0.98 0.00 0.00 173.24 173.70 2dmp s SER 3 N 0.36 0.70 0.35 7.02 0.15 -1.26 -5.13 113.70 115.89 2dmp s SER 3 Ca -0.10 -0.46 -0.28 0.00 0.70 0.00 0.00 55.95 55.81 2dmp s SER 3 Cb -0.14 0.03 -0.12 0.00 -1.71 0.00 0.00 66.02 64.08 2dmp s SER 3 CO 0.03 -0.17 1.36 0.61 1.20 0.00 0.00 173.24 176.27 2dmp n GLY 4 N 1.75 0.79 2.93 9.45 0.00 -1.26 -5.01 105.19 113.84 2dmp n GLY 4 Ca -0.21 0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 2dmp n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmp s SER 5 N -0.22 1.01 0.50 1.61 0.15 -1.26 -5.15 113.70 110.34 2dmp s SER 5 Ca 0.55 -0.15 0.08 0.00 0.70 0.00 0.00 55.95 57.13 2dmp s SER 5 Cb -0.54 -0.42 0.05 0.00 -1.71 0.00 0.00 66.02 63.40 2dmp s SER 5 CO 0.62 -0.01 0.69 -0.94 1.20 0.00 0.00 173.24 174.80 2dmp s SER 6 N 0.66 5.35 0.00 5.45 1.04 -1.26 -5.11 113.70 119.83 2dmp s SER 6 Ca -0.09 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.77 2dmp s SER 6 Cb -0.12 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.75 2dmp s SER 6 CO 0.01 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.77 2dmp n GLY 7 N -2.08 -0.58 3.41 7.32 0.00 -1.26 -5.19 105.19 106.81 2dmp n GLY 7 Ca 0.11 0.82 -0.20 0.00 0.00 0.00 0.00 46.02 46.75 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 0.00 2.22 -0.18 4.61 0.00 -1.26 -5.15 121.76 122.00 2dmp s ALA 8 Ca 0.00 -1.81 0.01 0.00 0.00 0.00 0.00 51.96 50.16 2dmp s ALA 8 Cb 0.00 0.86 0.03 0.00 0.00 0.00 0.00 23.12 24.01 2dmp s ALA 8 CO 0.00 -0.38 -0.14 1.52 0.00 0.00 0.00 175.76 176.76 2dmp s TYR 9 N -3.46 2.49 0.55 0.00 1.13 -1.26 -5.13 117.35 111.67 2dmp s TYR 9 Ca 0.34 -1.54 -0.09 0.00 -1.41 0.00 0.00 57.07 54.38 2dmp s TYR 9 Cb 0.07 -1.71 0.14 0.00 -1.10 0.00 0.00 41.96 39.35 2dmp s TYR 9 CO 0.15 -0.75 0.49 -0.35 -2.51 0.00 0.00 175.55 172.58 2dmp n PRO 10 N 4.68 -1.99 -4.71 -3.49 -0.04 -1.26 -5.09 135.00 123.10 2dmp n PRO 10 Ca -0.17 -0.78 -0.31 0.00 -0.04 0.00 0.00 63.50 62.20 2dmp n PRO 10 Cb 0.48 -0.73 -0.09 0.00 -0.04 0.00 0.00 33.50 33.12 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 -2.82 4.02 -0.33 3.54 1.47 -1.26 -5.11 116.67 116.17 2dmp s ASP 11 Ca 0.32 -1.55 -0.18 0.00 1.18 0.00 0.00 52.55 52.31 2dmp s ASP 11 Cb -0.03 0.18 -0.01 0.00 -0.34 0.00 0.00 42.92 42.72 2dmp s ASP 11 CO 0.24 -0.71 0.53 0.72 0.68 0.00 0.00 175.17 176.64 2dmp s PHE 12 N -2.82 3.19 0.01 2.11 -0.71 -1.26 -5.05 117.98 113.45 2dmp s PHE 12 Ca 0.17 0.29 0.00 0.00 -1.04 0.00 0.00 56.93 56.35 2dmp s PHE 12 Cb 0.05 -2.92 -0.01 0.00 -1.21 0.00 0.00 43.02 38.93 2dmp s PHE 12 CO 0.09 -0.51 -0.02 0.00 -1.34 0.00 0.00 175.22 173.44 2dmp s ALA 13 N 2.43 0.12 1.21 1.99 0.00 -1.26 -5.16 121.76 121.10 2dmp s ALA 13 Ca 0.20 -0.24 -0.20 0.00 0.00 0.00 0.00 51.96 51.72 2dmp s ALA 13 Cb -0.15 0.03 0.29 0.00 0.00 0.00 0.00 23.12 23.29 2dmp s ALA 13 CO 0.13 -0.03 1.11 -1.25 0.00 0.00 0.00 175.76 175.72 2dmp s PRO 14 N -0.53 -1.31 0.27 0.00 0.04 -1.26 -5.10 135.00 127.11 2dmp s PRO 14 Ca -0.05 -0.10 -0.03 0.00 0.04 0.00 0.00 61.00 60.87 2dmp s PRO 14 Cb -0.04 -1.59 -0.02 0.00 0.04 0.00 0.00 34.50 32.89 2dmp s PRO 14 CO -0.00 -3.76 0.31 -0.65 0.04 0.00 0.00 177.00 172.94 2dmp s GLN 15 N -5.43 1.54 0.29 4.56 -1.52 -1.26 -5.18 119.66 112.66 2dmp s GLN 15 Ca 0.71 -1.64 0.06 0.00 -1.95 0.00 0.00 55.36 52.54 2dmp s GLN 15 Cb -0.09 0.36 -0.02 0.00 -0.22 0.00 0.00 33.01 33.04 2dmp s GLN 15 CO 0.56 -0.58 0.39 0.15 -0.25 0.00 0.00 175.29 175.55 2dmp s LYS 16 N -3.75 3.20 -0.15 2.91 -0.14 -1.26 -5.10 119.74 115.45 2dmp s LYS 16 Ca 0.34 -0.94 -0.15 0.00 -1.36 0.00 0.00 55.97 53.87 2dmp s LYS 16 Cb 0.03 -2.80 -0.05 0.00 -1.68 0.00 0.00 37.83 33.33 2dmp s LYS 16 CO 0.16 0.24 0.33 -0.59 -0.76 0.00 0.00 175.35 174.73 2dmp s PHE 17 N -2.10 3.47 0.30 3.18 -0.71 -1.26 -5.06 117.98 115.80 2dmp s PHE 17 Ca 0.39 0.65 -0.20 0.00 -1.04 0.00 0.00 56.93 56.74 2dmp s PHE 17 Cb -0.09 -2.38 0.03 0.00 -1.21 0.00 0.00 43.02 39.38 2dmp s PHE 17 CO 0.29 0.23 0.75 -1.59 -1.34 0.00 0.00 175.22 173.57 2dmp s LYS 18 N 0.46 1.88 0.88 1.99 -2.85 -1.26 -5.17 119.74 115.67 2dmp s LYS 18 Ca 0.18 -1.09 -0.11 0.00 -1.00 0.00 0.00 55.97 53.95 2dmp s LYS 18 Cb -0.13 0.61 0.12 0.00 -2.06 0.00 0.00 37.83 36.36 2dmp s LYS 18 CO 0.05 -0.87 1.09 -2.00 0.10 0.00 0.00 175.35 173.73 2dmp s GLU 19 N -3.48 1.41 0.27 1.78 2.56 -1.26 -5.04 118.70 114.94 2dmp s GLU 19 Ca 0.12 0.84 -0.03 0.00 0.00 0.00 0.00 54.97 55.91 2dmp s GLU 19 Cb -0.06 -1.83 -0.05 0.00 2.00 0.00 0.00 34.13 34.20 2dmp s GLU 19 CO 0.08 -2.14 0.50 0.15 -0.56 0.00 0.00 175.26 173.29 2dmp s LYS 20 N -4.95 3.57 0.41 4.30 3.01 -1.26 -5.07 119.74 119.75 2dmp s LYS 20 Ca 0.63 -0.16 -0.25 0.00 -1.01 0.00 0.00 55.97 55.18 2dmp s LYS 20 Cb -0.18 -2.71 -0.08 0.00 -1.01 0.00 0.00 37.83 33.85 2dmp s LYS 20 CO 0.57 0.26 1.15 0.99 0.51 0.00 0.00 175.35 178.83 2dmp s THR 21 N -2.05 3.25 0.16 2.17 2.01 -1.26 -4.67 115.64 115.25 2dmp s THR 21 Ca 0.41 1.02 -0.17 0.00 0.31 0.00 0.00 61.69 63.27 2dmp s THR 21 Cb -0.11 -3.56 0.11 0.00 0.01 0.00 0.00 72.50 68.96 2dmp s THR 21 CO 0.31 0.07 1.20 1.67 -0.69 0.00 0.00 174.62 177.17 2dmp n GLN 22 N -0.01 -0.23 -0.13 4.92 -0.06 -1.26 0.66 117.38 121.27 2dmp n GLN 22 Ca 0.05 1.18 -0.04 0.00 -2.00 0.00 0.00 57.00 56.19 2dmp n GLN 22 Cb 0.47 -1.75 0.02 0.00 -4.06 0.00 0.00 30.24 24.92 2dmp n GLN 22 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 2dmp h GLY 23 N 0.00 0.30 0.99 1.69 0.00 -1.99 0.38 103.07 104.44 2dmp h GLY 23 Ca 0.22 0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.67 2dmp h GLY 23 CO -0.75 -0.17 -0.42 1.46 0.00 0.00 0.00 176.54 176.65 2dmp h GLN 24 N -0.01 -1.12 -0.94 4.80 4.20 -0.12 -2.49 115.11 119.43 2dmp h GLN 24 Ca 0.21 0.08 0.22 0.00 0.06 0.00 0.00 58.65 59.22 2dmp h GLN 24 Cb 0.33 0.25 -0.12 0.00 0.30 0.00 0.00 27.48 28.24 2dmp h GLN 24 CO -0.45 -0.74 0.50 0.28 -0.67 0.00 0.00 178.83 177.74 2dmp h VAL 25 N -1.16 0.55 -0.90 -0.54 2.07 -0.75 0.27 116.25 115.79 2dmp h VAL 25 Ca -0.12 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.26 2dmp h VAL 25 Cb 0.89 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 2dmp h VAL 25 CO 0.18 0.10 0.59 0.50 0.02 0.00 0.00 177.57 178.96 2dmp h LYS 26 N 0.53 1.09 -0.30 1.57 1.63 -0.66 0.21 116.57 120.64 2dmp h LYS 26 Ca 0.58 -0.07 -0.08 0.00 -0.85 0.00 0.00 60.65 60.24 2dmp h LYS 26 Cb 1.06 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 32.43 2dmp h LYS 26 CO -0.48 0.72 -0.16 0.82 -3.45 0.00 0.00 179.45 176.91 2dmp h ILE 27 N 1.12 1.24 0.00 2.00 2.04 -0.04 -2.10 117.51 121.78 2dmp h ILE 27 Ca 0.36 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 2dmp h ILE 27 Cb 0.02 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2dmp h ILE 27 CO -0.11 0.36 -0.00 -0.07 0.00 0.00 0.00 178.15 178.33 2dmp h LEU 28 N 0.48 -0.00 -0.69 1.44 3.38 -0.79 -3.24 115.31 115.89 2dmp h LEU 28 Ca 0.08 -0.86 0.12 0.00 0.09 0.00 0.00 57.88 57.32 2dmp h LEU 28 Cb 0.55 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.22 2dmp h LEU 28 CO 0.04 0.86 0.26 -0.33 0.09 0.00 0.00 178.44 179.35 2dmp h GLU 29 N -0.86 0.42 -0.95 1.13 4.39 -0.63 0.23 114.58 118.31 2dmp h GLU 29 Ca -0.00 -0.03 0.12 0.00 0.34 0.00 0.00 59.36 59.80 2dmp h GLU 29 Cb 0.86 -0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.33 2dmp h GLU 29 CO 0.00 0.28 0.57 0.22 -1.16 0.00 0.00 179.01 178.92 2dmp h ASP 30 N 0.43 0.82 0.14 1.42 3.58 -1.48 0.17 116.42 121.49 2dmp h ASP 30 Ca 0.36 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.86 2dmp h ASP 30 Cb 0.50 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.45 2dmp h ASP 30 CO -0.36 0.42 -0.07 0.28 -2.88 0.00 0.00 179.24 176.64 2dmp h SER 31 N 0.89 -0.16 0.04 2.28 0.02 -1.09 -3.31 113.55 112.23 2dmp h SER 31 Ca 0.48 -0.19 0.01 0.00 -0.84 0.00 0.00 61.79 61.24 2dmp h SER 31 Cb 0.51 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 2dmp h SER 31 CO -0.28 0.40 -0.32 0.15 -1.14 0.00 0.00 176.83 175.65 2dmp h PHE 32 N -1.01 -0.92 -0.86 3.45 3.04 -0.48 -0.24 116.94 119.93 2dmp h PHE 32 Ca -0.02 0.03 0.32 0.00 3.98 0.00 0.00 57.97 62.28 2dmp h PHE 32 Cb 0.34 0.40 -0.11 0.00 2.56 0.00 0.00 35.95 39.13 2dmp h PHE 32 CO 0.05 -0.35 0.51 1.28 -2.02 0.00 0.00 178.31 177.79 2dmp n LEU 33 N -4.24 0.20 -0.02 0.59 4.77 0.59 0.75 117.00 119.63 2dmp n LEU 33 Ca -0.05 1.08 -0.08 0.00 -0.03 0.00 0.00 56.01 56.94 2dmp n LEU 33 Cb 0.24 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 40.73 2dmp n LEU 33 CO 0.08 -1.20 0.25 0.11 -1.33 0.00 0.00 177.39 175.30 2dmp h LYS 34 N 0.00 -0.07 -2.99 3.23 1.57 -1.27 -3.45 116.57 113.59 2dmp h LYS 34 Ca 0.62 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.98 2dmp h LYS 34 Cb 1.83 0.02 -0.40 0.00 0.08 0.00 0.00 32.23 33.76 2dmp h LYS 34 CO -0.44 0.39 -0.72 -1.12 -0.57 0.00 0.00 179.45 176.99 2dmp s SER 35 N -5.74 1.98 0.25 0.86 0.01 0.23 -5.03 113.70 106.26 2dmp s SER 35 Ca -0.10 -0.43 -0.05 0.00 1.31 0.00 0.00 55.95 56.68 2dmp s SER 35 Cb -0.01 -0.10 0.49 0.00 0.21 0.00 0.00 66.02 66.61 2dmp s SER 35 CO 0.37 -0.33 1.66 0.77 0.41 0.00 0.00 173.24 176.12 2dmp h SER 36 N 8.40 -0.14 -3.20 2.44 4.64 -1.79 -3.31 113.55 120.59 2dmp h SER 36 Ca -0.15 0.17 -0.75 0.00 -0.47 0.00 0.00 61.79 60.60 2dmp h SER 36 Cb 1.15 0.27 -0.24 0.00 -0.31 0.00 0.00 62.40 63.26 2dmp h SER 36 CO 0.27 -0.12 -0.29 -0.36 -0.87 0.00 0.00 176.83 175.46 2dmp s PHE 37 N -6.06 3.27 1.21 4.77 0.40 -1.26 -4.87 117.98 115.44 2dmp s PHE 37 Ca -0.13 -1.25 -0.20 0.00 -0.60 0.00 0.00 56.93 54.75 2dmp s PHE 37 Cb 0.22 -3.52 0.30 0.00 0.51 0.00 0.00 43.02 40.53 2dmp s PHE 37 CO 0.76 -0.94 1.07 -0.35 0.70 0.00 0.00 175.22 176.46 2dmp n PRO 38 N 5.18 -3.11 -4.34 0.24 -0.04 -1.24 -5.08 135.00 126.60 2dmp n PRO 38 Ca -0.13 -1.71 -0.24 0.00 -0.04 0.00 0.00 63.50 61.38 2dmp n PRO 38 Cb 0.41 -1.61 -0.08 0.00 -0.04 0.00 0.00 33.50 32.19 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 -2.94 2.86 0.27 0.52 -1.32 -1.26 -4.93 115.64 108.84 2dmp s THR 39 Ca 0.70 -2.02 -0.03 0.00 -1.21 0.00 0.00 61.69 59.12 2dmp s THR 39 Cb -0.07 -2.73 0.31 0.00 -1.51 0.00 0.00 72.50 68.51 2dmp s THR 39 CO 0.53 -0.29 1.63 1.56 -2.21 0.00 0.00 174.62 175.84 2dmp h GLN 40 N 1.90 0.11 0.58 7.08 1.08 -1.99 0.16 115.11 124.03 2dmp h GLN 40 Ca -0.43 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 56.74 2dmp h GLN 40 Cb 1.25 -0.03 0.01 0.00 -0.05 0.00 0.00 27.48 28.66 2dmp h GLN 40 CO 0.63 0.07 -0.28 0.00 -0.95 0.00 0.00 178.83 178.31 2dmp h ALA 41 N 1.78 -0.78 -0.02 3.87 0.00 -2.00 -2.63 119.26 119.48 2dmp h ALA 41 Ca 0.49 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.20 2dmp h ALA 41 Cb 0.92 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2dmp h ALA 41 CO -0.71 -0.85 -0.13 1.49 0.00 0.00 0.00 179.25 179.04 2dmp h GLU 42 N -0.96 -0.15 -0.94 0.00 4.57 -1.63 -2.64 114.58 112.83 2dmp h GLU 42 Ca -0.08 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.21 2dmp h GLU 42 Cb 0.65 0.03 -0.12 0.00 -0.16 0.00 0.00 28.75 29.16 2dmp h GLU 42 CO 0.13 -0.10 -0.52 1.28 -1.18 0.00 0.00 179.01 178.63 2dmp n LEU 43 N -3.26 -0.92 -0.32 1.64 4.77 -0.07 0.10 117.00 118.94 2dmp n LEU 43 Ca -0.02 1.66 0.29 0.00 -0.03 0.00 0.00 56.01 57.91 2dmp n LEU 43 Cb 0.10 -0.25 0.53 0.00 -2.33 0.00 0.00 43.42 41.47 2dmp n LEU 43 CO 0.02 -1.38 0.99 -0.67 -1.33 0.00 0.00 177.39 175.03 2dmp n ASP 44 N -5.21 0.27 0.07 -1.43 2.03 -0.99 0.21 116.55 111.49 2dmp n ASP 44 Ca 0.03 1.62 -0.13 0.00 0.52 0.00 0.00 54.79 56.84 2dmp n ASP 44 Cb 0.27 -0.76 -0.04 0.00 -0.72 0.00 0.00 41.12 39.87 2dmp n ASP 44 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2dmp h ARG 45 N 0.00 0.37 -0.17 -0.67 2.43 0.96 -2.98 114.38 114.32 2dmp h ARG 45 Ca 0.79 -0.40 -0.02 0.00 -0.81 0.00 0.00 59.98 59.54 2dmp h ARG 45 Cb 2.04 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 31.70 2dmp h ARG 45 CO -0.78 1.08 0.03 -0.07 -1.51 0.00 0.00 179.97 178.72 2dmp h LEU 46 N 0.21 0.27 0.54 3.80 3.38 0.37 0.06 115.31 123.94 2dmp h LEU 46 Ca -0.07 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 2dmp h LEU 46 Cb 1.57 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2dmp h LEU 46 CO 0.16 0.46 -0.28 0.03 0.09 0.00 0.00 178.44 178.89 2dmp h ARG 47 N 0.07 -0.73 -0.31 1.13 3.08 -0.81 0.43 114.38 117.25 2dmp h ARG 47 Ca 0.05 0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.22 2dmp h ARG 47 Cb 0.30 0.17 -0.07 0.00 0.08 0.00 0.00 29.97 30.45 2dmp h ARG 47 CO 0.00 -0.48 -0.15 -0.24 -1.07 0.00 0.00 179.97 178.02 2dmp h VAL 48 N -0.75 0.53 0.16 2.04 3.04 -1.60 2.07 116.25 121.73 2dmp h VAL 48 Ca -0.07 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 2dmp h VAL 48 Cb 0.59 0.53 -0.02 0.00 -2.01 0.00 0.00 31.29 30.38 2dmp h VAL 48 CO 0.10 0.00 -0.30 -0.33 -1.01 0.00 0.00 177.57 176.03 2dmp h GLU 49 N -0.11 -0.48 0.00 4.17 4.39 -0.96 -1.25 114.58 120.35 2dmp h GLU 49 Ca 0.16 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2dmp h GLU 49 Cb 0.35 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2dmp h GLU 49 CO -0.38 -0.32 0.00 0.25 -1.16 0.00 0.00 179.01 177.40 2dmp n THR 50 N -4.19 0.56 -3.34 1.13 -2.24 0.14 -4.88 114.28 101.46 2dmp n THR 50 Ca -0.06 0.14 -0.18 0.00 -2.27 0.00 0.00 64.05 61.69 2dmp n THR 50 Cb 0.25 -0.84 0.07 0.00 -2.10 0.00 0.00 70.33 67.72 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 -1.36 -6.30 -4.35 -0.78 4.76 0.66 -4.93 118.16 105.86 2dmp n LYS 51 Ca 0.07 0.73 -0.18 0.00 -2.87 0.00 0.00 58.31 56.05 2dmp n LYS 51 Cb 0.17 -5.42 -0.10 0.00 -1.84 0.00 0.00 35.03 27.84 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 -6.10 2.48 0.63 -0.35 1.43 0.13 -4.97 118.68 111.93 2dmp s LEU 52 Ca 0.25 -1.09 -0.02 0.00 -1.03 0.00 0.00 54.13 52.23 2dmp s LEU 52 Cb -0.11 -0.56 0.05 0.00 0.03 0.00 0.00 46.19 45.60 2dmp s LEU 52 CO 0.63 -0.28 0.90 -0.44 0.23 0.00 0.00 176.35 177.38 2dmp s SER 53 N -3.33 5.00 0.20 2.29 0.01 -1.26 -4.29 113.70 112.32 2dmp s SER 53 Ca 0.24 0.16 -0.11 0.00 1.31 0.00 0.00 55.95 57.55 2dmp s SER 53 Cb 0.02 -0.91 0.25 0.00 0.21 0.00 0.00 66.02 65.59 2dmp s SER 53 CO 0.07 -1.40 1.71 0.03 0.41 0.00 0.00 173.24 174.06 2dmp h ARG 54 N -0.27 0.23 0.84 12.44 2.47 -1.99 -2.64 114.38 125.47 2dmp h ARG 54 Ca -0.43 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.24 2dmp h ARG 54 Cb 1.30 -0.05 0.01 0.00 -1.65 0.00 0.00 29.97 29.58 2dmp h ARG 54 CO 0.55 0.15 -0.43 0.00 0.56 0.00 0.00 179.97 180.80 2dmp h ARG 55 N 0.24 -1.12 -0.83 0.04 3.08 -1.98 0.17 114.38 113.99 2dmp h ARG 55 Ca 0.29 0.08 0.14 0.00 0.07 0.00 0.00 59.98 60.55 2dmp h ARG 55 Cb 0.41 0.25 -0.14 0.00 0.08 0.00 0.00 29.97 30.57 2dmp h ARG 55 CO -0.38 -0.74 -0.28 0.39 -1.07 0.00 0.00 179.97 177.88 2dmp n GLU 56 N -5.59 -0.15 0.02 0.04 -0.58 -1.02 -0.48 120.64 112.87 2dmp n GLU 56 Ca -0.15 1.28 -0.12 0.00 -0.42 0.00 0.00 57.16 57.75 2dmp n GLU 56 Cb 0.47 -1.91 -0.09 0.00 -0.57 0.00 0.00 31.44 29.34 2dmp n GLU 56 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2dmp h ILE 57 N 0.00 1.18 -0.94 -3.67 2.04 -1.35 -3.15 117.51 111.62 2dmp h ILE 57 Ca 0.33 -1.14 0.31 0.00 1.00 0.00 0.00 64.86 65.36 2dmp h ILE 57 Cb 0.53 1.89 -0.17 0.00 -0.74 0.00 0.00 36.82 38.33 2dmp h ILE 57 CO -0.83 0.27 0.22 -0.67 0.00 0.00 0.00 178.15 177.13 2dmp n ASP 58 N -4.90 0.07 0.17 1.72 -0.08 0.59 0.15 116.55 114.27 2dmp n ASP 58 Ca -0.08 1.58 -0.14 0.00 -1.51 0.00 0.00 54.79 54.63 2dmp n ASP 58 Cb 0.27 -0.65 -0.08 0.00 2.34 0.00 0.00 41.12 43.00 2dmp n ASP 58 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 2dmp h SER 59 N 0.00 -0.36 -0.55 1.67 0.87 -1.14 0.26 113.55 114.30 2dmp h SER 59 Ca 0.66 -0.12 0.08 0.00 -1.23 0.00 0.00 61.79 61.18 2dmp h SER 59 Cb 1.55 0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 63.54 2dmp h SER 59 CO -0.82 -0.08 0.20 -0.25 -0.53 0.00 0.00 176.83 175.35 2dmp h TRP 60 N -0.65 0.34 0.46 2.24 7.01 -0.25 -1.73 115.95 123.37 2dmp h TRP 60 Ca -0.04 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.96 2dmp h TRP 60 Cb 0.46 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.45 2dmp h TRP 60 CO 0.00 0.09 -0.22 0.74 -2.79 0.00 0.00 178.44 176.26 2dmp h PHE 61 N 0.37 -0.57 -0.91 2.65 -1.00 -0.69 -0.39 116.94 116.40 2dmp h PHE 61 Ca 0.27 -0.01 0.20 0.00 2.81 0.00 0.00 57.97 61.24 2dmp h PHE 61 Cb 0.32 0.19 -0.17 0.00 3.61 0.00 0.00 35.95 39.90 2dmp h PHE 61 CO -0.17 -0.25 -0.14 1.03 -1.61 0.00 0.00 178.31 177.17 2dmp h SER 62 N -0.96 -0.70 0.15 2.17 0.87 -0.28 -0.27 113.55 114.53 2dmp h SER 62 Ca -0.06 0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 2dmp h SER 62 Cb 0.58 0.52 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2dmp h SER 62 CO 0.10 -0.30 -0.07 -0.33 -0.53 0.00 0.00 176.83 175.70 2dmp h GLU 63 N 0.02 -0.19 -0.83 2.24 5.08 -1.32 -3.25 114.58 116.32 2dmp h GLU 63 Ca 0.47 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 59.01 2dmp h GLU 63 Cb 0.81 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 29.95 2dmp h GLU 63 CO -0.90 0.21 -0.23 -2.13 -1.00 0.00 0.00 179.01 174.96 2dmp n ARG 64 N -4.97 -0.09 -0.32 2.33 3.00 -0.16 0.81 116.66 117.25 2dmp n ARG 64 Ca -0.09 1.30 0.13 0.00 -0.00 0.00 0.00 57.85 59.19 2dmp n ARG 64 Cb 0.25 -1.94 0.26 0.00 0.00 0.00 0.00 32.46 31.03 2dmp n ARG 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2dmp n ARG 65 N -5.34 -0.07 0.11 -0.14 1.74 -0.75 0.02 116.66 112.22 2dmp n ARG 65 Ca 0.13 1.38 -0.13 0.00 -0.77 0.00 0.00 57.85 58.46 2dmp n ARG 65 Cb 0.40 -2.18 -0.08 0.00 -1.02 0.00 0.00 32.46 29.58 2dmp n ARG 65 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2dmp h LYS 66 N 0.00 -0.27 -0.24 5.56 6.56 0.23 -0.97 116.57 127.44 2dmp h LYS 66 Ca 0.55 0.02 0.04 0.00 -1.06 0.00 0.00 60.65 60.19 2dmp h LYS 66 Cb 1.10 0.06 -0.07 0.00 -0.57 0.00 0.00 32.23 32.75 2dmp h LYS 66 CO -0.87 0.04 -0.52 -0.07 -2.06 0.00 0.00 179.45 175.97 2dmp h LEU 67 N -0.60 -1.70 -0.59 2.94 3.38 -0.26 0.19 115.31 118.68 2dmp h LEU 67 Ca -0.03 0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.20 2dmp h LEU 67 Cb 0.44 0.68 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 2dmp h LEU 67 CO 0.05 -0.43 0.32 -0.09 0.09 0.00 0.00 178.44 178.38 2dmp h ARG 68 N -0.48 0.60 -0.54 1.13 2.43 -1.14 -2.33 114.38 114.06 2dmp h ARG 68 Ca 0.05 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 2dmp h ARG 68 Cb 0.61 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.96 2dmp h ARG 68 CO -0.48 0.40 0.15 -0.44 -1.51 0.00 0.00 179.97 178.09 2dmp h ASP 69 N 0.62 0.10 -0.42 -3.80 3.32 -0.08 -2.27 116.42 113.88 2dmp h ASP 69 Ca 0.26 0.08 0.09 0.00 0.02 0.00 0.00 57.03 57.48 2dmp h ASP 69 Cb 0.14 0.09 -0.09 0.00 0.22 0.00 0.00 39.33 39.69 2dmp h ASP 69 CO -0.16 0.07 -0.24 0.28 -1.72 0.00 0.00 179.24 177.48 2dmp h SER 70 N 0.31 -0.80 -3.05 6.45 0.02 -0.09 -3.39 113.55 113.00 2dmp h SER 70 Ca 0.27 0.17 -0.53 0.00 -0.84 0.00 0.00 61.79 60.86 2dmp h SER 70 Cb 0.35 0.41 0.02 0.00 0.14 0.00 0.00 62.40 63.32 2dmp h SER 70 CO -0.32 -0.26 0.69 -0.04 -1.14 0.00 0.00 176.83 175.76 2dmp s MET 71 N -6.10 4.35 0.76 3.45 -1.94 -0.85 -5.02 119.30 113.93 2dmp s MET 71 Ca -0.14 1.99 -0.05 0.00 -1.71 0.00 0.00 55.69 55.77 2dmp s MET 71 Cb 0.15 -3.30 0.12 0.00 2.01 0.00 0.00 34.83 33.82 2dmp s MET 71 CO 0.70 -0.40 1.05 -1.83 -0.01 0.00 0.00 175.02 174.53 2dmp s GLU 72 N 1.18 1.61 0.13 2.03 -1.05 -1.26 -4.94 118.70 116.41 2dmp s GLU 72 Ca 0.63 -0.78 0.02 0.00 -0.15 0.00 0.00 54.97 54.69 2dmp s GLU 72 Cb -0.34 -2.21 -0.04 0.00 -0.44 0.00 0.00 34.13 31.10 2dmp s GLU 72 CO 0.30 -1.56 0.26 -0.65 0.95 0.00 0.00 175.26 174.55 2dmp s GLN 73 N -5.29 3.38 0.29 -4.83 -1.52 -1.26 -5.11 119.66 105.32 2dmp s GLN 73 Ca 0.66 -0.60 -0.09 0.00 -1.95 0.00 0.00 55.36 53.38 2dmp s GLN 73 Cb -0.06 -2.95 -0.07 0.00 -0.22 0.00 0.00 33.01 29.71 2dmp s GLN 73 CO 0.46 0.53 0.61 0.00 -0.25 0.00 0.00 175.29 176.64 2dmp s ALA 74 N -1.70 3.51 0.01 6.09 0.00 -1.26 -5.09 121.76 123.33 2dmp s ALA 74 Ca 0.34 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.01 2dmp s ALA 74 Cb -0.11 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 2dmp s ALA 74 CO 0.28 0.33 0.07 0.54 0.00 0.00 0.00 175.76 176.98 2dmp s VAL 75 N -2.00 4.62 0.60 0.00 0.11 -1.26 -5.11 120.40 117.37 2dmp s VAL 75 Ca 0.48 -0.49 -0.12 0.00 -2.93 0.00 0.00 61.98 58.92 2dmp s VAL 75 Cb -0.11 -3.12 -0.05 0.00 -1.53 0.00 0.00 36.38 31.57 2dmp s VAL 75 CO 0.25 0.32 1.02 -0.22 -3.33 0.00 0.00 175.10 173.14 2dmp s LEU 76 N -1.80 3.30 -0.37 2.54 2.96 -1.26 -4.74 118.68 119.31 2dmp s LEU 76 Ca 0.23 1.45 -0.31 0.00 -0.22 0.00 0.00 54.13 55.28 2dmp s LEU 76 Cb -0.12 -4.48 -0.09 0.00 0.50 0.00 0.00 46.19 42.00 2dmp s LEU 76 CO 0.15 -0.83 2.27 0.47 -1.32 0.00 0.00 176.35 177.08 2dmp n ASP 77 N -2.55 2.41 -3.78 3.68 8.00 -1.26 -4.91 116.55 118.14 2dmp n ASP 77 Ca 0.06 0.19 -0.13 0.00 0.71 0.00 0.00 54.79 55.62 2dmp n ASP 77 Cb 0.54 -1.39 -0.10 0.00 -0.02 0.00 0.00 41.12 40.16 2dmp n ASP 77 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2dmp s SER 78 N 8.50 -0.19 -0.56 -2.24 0.15 -1.26 -5.11 113.70 112.99 2dmp s SER 78 Ca 1.07 0.19 -0.28 0.00 0.70 0.00 0.00 55.95 57.62 2dmp s SER 78 Cb -0.61 0.38 0.01 0.00 -1.71 0.00 0.00 66.02 64.09 2dmp s SER 78 CO 0.41 -0.34 1.48 -0.32 1.20 0.00 0.00 173.24 175.67 2dmp s MET 79 N -0.91 3.24 0.00 5.44 1.75 -1.26 -4.61 119.30 122.95 2dmp s MET 79 Ca -0.10 0.51 0.00 0.00 -1.25 0.00 0.00 55.69 54.85 2dmp s MET 79 Cb -0.05 -4.16 0.00 0.00 2.84 0.00 0.00 34.83 33.47 2dmp s MET 79 CO 0.03 -2.02 0.00 0.41 -0.65 0.00 0.00 175.02 172.79 2dmp n GLY 80 N 5.31 -0.69 3.21 2.11 0.00 -1.26 -5.14 105.19 108.72 2dmp n GLY 80 Ca 0.13 0.41 -0.21 0.00 0.00 0.00 0.00 46.02 46.36 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 -4.00 1.99 0.00 1.61 0.15 -1.26 -5.11 113.70 107.08 2dmp s SER 81 Ca 0.00 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.05 2dmp s SER 81 Cb 0.00 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 2dmp s SER 81 CO 0.00 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.05 2dmp n GLY 82 N 1.39 4.11 3.68 9.45 0.00 -1.26 -5.01 105.19 117.56 2dmp n GLY 82 Ca -0.20 -1.39 -0.28 0.00 0.00 0.00 0.00 46.02 44.15 2dmp n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmp s LYS 83 N -4.44 2.49 -0.06 1.61 1.02 -1.26 -5.04 119.74 114.06 2dmp s LYS 83 Ca 0.00 -0.95 0.01 0.00 0.02 0.00 0.00 55.97 55.04 2dmp s LYS 83 Cb 0.00 -2.47 -0.03 0.00 -0.52 0.00 0.00 37.83 34.81 2dmp s LYS 83 CO 0.00 0.50 -0.05 -1.54 -0.92 0.00 0.00 175.35 173.34 2dmp s SER 84 N -2.60 4.79 -0.43 2.83 1.04 -1.26 -4.28 113.70 113.78 2dmp s SER 84 Ca 0.26 0.00 0.08 0.00 0.48 0.00 0.00 55.95 56.77 2dmp s SER 84 Cb -0.11 -1.23 0.29 0.00 0.10 0.00 0.00 66.02 65.08 2dmp s SER 84 CO 0.18 0.35 0.87 0.61 0.98 0.00 0.00 173.24 176.23 2dmp n GLY 85 N 2.09 1.54 3.56 7.32 0.00 -1.26 -5.10 105.19 113.34 2dmp n GLY 85 Ca -0.18 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.49 2.85 0.34 1.61 0.04 -1.26 -4.97 135.00 133.11 2dmp s PRO 86 Ca 0.31 0.79 -0.27 0.00 0.04 0.00 0.00 61.00 61.87 2dmp s PRO 86 Cb 0.27 -4.32 -0.09 0.00 0.04 0.00 0.00 34.50 30.40 2dmp s PRO 86 CO -0.12 -2.46 1.09 -1.12 0.04 0.00 0.00 177.00 174.43 2dmp s SER 87 N 7.32 6.97 0.40 6.66 0.01 -1.26 -4.88 113.70 128.91 2dmp s SER 87 Ca 0.69 2.20 0.19 0.00 1.31 0.00 0.00 55.95 60.34 2dmp s SER 87 Cb -0.15 -2.61 1.06 0.00 0.21 0.00 0.00 66.02 64.53 2dmp s SER 87 CO 0.24 -0.35 1.54 0.77 0.41 0.00 0.00 173.24 175.85 2dmp h SER 88 N 3.15 0.00 0.00 2.44 4.64 -2.08 -3.57 113.55 118.13 2dmp h SER 88 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2dmp h SER 88 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2dmp h SER 88 CO 0.65 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.22