#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 -0.18 0.36 1.61 0.01 -1.26 -5.16 113.70 109.08 2dmp s SER 2 Ca 0.00 0.88 -0.12 0.00 1.31 0.00 0.00 55.95 58.03 2dmp s SER 2 Cb 0.00 1.10 0.03 0.00 0.21 0.00 0.00 66.02 67.36 2dmp s SER 2 CO 0.00 -0.22 0.67 -0.44 0.41 0.00 0.00 173.24 173.66 2dmp s SER 3 N 2.33 0.27 0.00 2.44 0.01 -1.26 -5.19 113.70 112.29 2dmp s SER 3 Ca -0.03 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.03 2dmp s SER 3 Cb -0.11 0.77 0.00 0.00 0.21 0.00 0.00 66.02 66.89 2dmp s SER 3 CO -0.12 -1.52 0.00 0.61 0.41 0.00 0.00 173.24 172.62 2dmp n GLY 4 N -0.53 4.32 3.82 3.44 0.00 -1.26 -5.19 105.19 109.80 2dmp n GLY 4 Ca -0.05 -1.71 -0.07 0.00 0.00 0.00 0.00 46.02 44.19 2dmp n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmp s SER 5 N -0.66 -0.28 0.91 1.61 0.01 -1.26 -5.17 113.70 108.86 2dmp s SER 5 Ca 0.00 -0.55 -0.11 0.00 1.31 0.00 0.00 55.95 56.60 2dmp s SER 5 Cb 0.00 0.71 0.14 0.00 0.21 0.00 0.00 66.02 67.08 2dmp s SER 5 CO 0.00 -1.30 1.09 -0.44 0.41 0.00 0.00 173.24 173.00 2dmp s SER 6 N -2.91 3.29 0.24 2.44 0.01 -1.26 -5.07 113.70 110.45 2dmp s SER 6 Ca 0.10 1.60 0.00 0.00 1.31 0.00 0.00 55.95 58.96 2dmp s SER 6 Cb -0.05 -2.26 -0.00 0.00 0.21 0.00 0.00 66.02 63.92 2dmp s SER 6 CO 0.05 -2.77 0.00 0.61 0.41 0.00 0.00 173.24 171.55 2dmp n GLY 7 N -0.82 3.89 2.98 3.44 0.00 -1.26 -5.16 105.19 108.26 2dmp n GLY 7 Ca 0.07 -2.27 -0.20 0.00 0.00 0.00 0.00 46.02 43.62 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 -2.42 0.81 0.75 4.61 0.00 -1.26 -5.13 121.76 119.11 2dmp s ALA 8 Ca 0.01 -0.28 -0.16 0.00 0.00 0.00 0.00 51.96 51.53 2dmp s ALA 8 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 2dmp s ALA 8 CO 0.00 0.11 0.73 0.66 0.00 0.00 0.00 175.76 177.27 2dmp n TYR 9 N 3.39 -0.15 0.98 0.00 4.01 -1.26 -4.83 117.16 119.30 2dmp n TYR 9 Ca -0.19 0.36 0.07 0.00 -0.16 0.00 0.00 57.90 57.98 2dmp n TYR 9 Cb 0.54 -1.98 0.39 0.00 -0.31 0.00 0.00 39.34 37.98 2dmp n TYR 9 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2dmp n PRO 10 N -1.44 0.49 -0.07 -0.72 -0.04 -1.26 -3.23 135.00 128.73 2dmp n PRO 10 Ca 0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 2dmp n PRO 10 Cb 0.50 -1.42 -0.05 0.00 -0.04 0.00 0.00 33.50 32.49 2dmp n PRO 10 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2dmp h ASP 11 N 0.00 0.39 -5.02 3.54 3.04 -2.06 -3.45 116.42 112.86 2dmp h ASP 11 Ca 0.00 -0.32 -0.13 0.00 -3.24 0.00 0.00 57.03 53.33 2dmp h ASP 11 Cb 0.00 -0.11 -0.19 0.00 -1.04 0.00 0.00 39.33 37.99 2dmp h ASP 11 CO 0.00 0.62 -0.45 0.12 -2.04 0.00 0.00 179.24 177.48 2dmp s PHE 12 N -4.93 0.04 0.00 4.15 5.36 -1.20 -5.17 117.98 116.24 2dmp s PHE 12 Ca -0.14 -0.17 -0.21 0.00 -0.96 0.00 0.00 56.93 55.45 2dmp s PHE 12 Cb 0.07 -0.04 0.04 0.00 -0.34 0.00 0.00 43.02 42.75 2dmp s PHE 12 CO 0.74 -0.34 0.48 0.00 -1.46 0.00 0.00 175.22 174.64 2dmp s ALA 13 N -1.78 -1.21 1.14 11.12 0.00 -1.26 -4.65 121.76 125.12 2dmp s ALA 13 Ca -0.12 0.63 -0.17 0.00 0.00 0.00 0.00 51.96 52.31 2dmp s ALA 13 Cb -0.05 0.19 0.26 0.00 0.00 0.00 0.00 23.12 23.52 2dmp s ALA 13 CO -0.00 -0.39 1.11 -1.25 0.00 0.00 0.00 175.76 175.22 2dmp s PRO 14 N -1.82 -0.75 0.04 0.00 0.04 -1.26 -4.95 135.00 126.30 2dmp s PRO 14 Ca -0.09 0.10 -0.30 0.00 0.04 0.00 0.00 61.00 60.74 2dmp s PRO 14 Cb -0.02 -1.64 -0.07 0.00 0.04 0.00 0.00 34.50 32.82 2dmp s PRO 14 CO 0.03 -3.43 1.53 -1.14 0.04 0.00 0.00 177.00 174.03 2dmp s GLN 15 N -5.27 4.24 0.30 4.56 2.00 -1.26 -4.98 119.66 119.24 2dmp s GLN 15 Ca 0.69 2.16 -0.07 0.00 -2.00 0.00 0.00 55.36 56.14 2dmp s GLN 15 Cb -0.12 -3.57 -0.00 0.00 0.80 0.00 0.00 33.01 30.11 2dmp s GLN 15 CO 0.57 -0.65 0.46 0.15 -0.50 0.00 0.00 175.29 175.31 2dmp s LYS 16 N 2.48 1.74 0.47 1.67 1.02 -1.26 -5.18 119.74 120.68 2dmp s LYS 16 Ca 0.69 -1.56 0.08 0.00 0.02 0.00 0.00 55.97 55.20 2dmp s LYS 16 Cb -0.36 0.45 0.02 0.00 -0.52 0.00 0.00 37.83 37.42 2dmp s LYS 16 CO 0.29 -0.72 0.54 -0.06 -0.92 0.00 0.00 175.35 174.48 2dmp s PHE 17 N -3.44 2.29 -0.57 3.18 0.08 -1.26 -5.07 117.98 113.19 2dmp s PHE 17 Ca 0.28 -0.57 -0.22 0.00 0.12 0.00 0.00 56.93 56.55 2dmp s PHE 17 Cb -0.00 -2.21 0.06 0.00 -0.57 0.00 0.00 43.02 40.30 2dmp s PHE 17 CO 0.15 -0.50 0.82 0.21 -0.10 0.00 0.00 175.22 175.80 2dmp s LYS 18 N -4.34 3.18 0.03 0.44 2.20 -1.26 -5.02 119.74 114.96 2dmp s LYS 18 Ca 0.51 -0.72 0.06 0.00 -0.36 0.00 0.00 55.97 55.46 2dmp s LYS 18 Cb -0.06 -4.13 -0.02 0.00 -1.51 0.00 0.00 37.83 32.11 2dmp s LYS 18 CO 0.31 -1.49 -0.18 -1.83 -0.36 0.00 0.00 175.35 171.80 2dmp s GLU 19 N 3.41 1.28 -0.09 4.03 1.03 -1.26 -5.14 118.70 121.97 2dmp s GLU 19 Ca 0.21 -0.80 -0.11 0.00 0.03 0.00 0.00 54.97 54.30 2dmp s GLU 19 Cb -0.17 -1.32 -0.05 0.00 -0.80 0.00 0.00 34.13 31.79 2dmp s GLU 19 CO 0.13 0.34 0.27 0.15 -1.33 0.00 0.00 175.26 174.83 2dmp s LYS 20 N -0.95 3.82 0.47 -4.83 -0.14 -1.26 -5.09 119.74 111.76 2dmp s LYS 20 Ca 0.06 0.12 -0.04 0.00 -1.36 0.00 0.00 55.97 54.74 2dmp s LYS 20 Cb -0.08 -3.26 -0.03 0.00 -1.68 0.00 0.00 37.83 32.78 2dmp s LYS 20 CO 0.01 0.61 0.76 -0.08 -0.76 0.00 0.00 175.35 175.89 2dmp s THR 21 N -0.68 4.81 0.14 2.17 -1.32 -1.26 -4.84 115.64 114.67 2dmp s THR 21 Ca 0.18 0.08 -0.31 0.00 -1.21 0.00 0.00 61.69 60.43 2dmp s THR 21 Cb -0.14 -3.82 -0.08 0.00 -1.51 0.00 0.00 72.50 66.95 2dmp s THR 21 CO 0.07 -0.77 1.55 1.56 -2.21 0.00 0.00 174.62 174.82 2dmp h GLN 22 N 0.26 -0.28 -0.25 7.08 1.08 -1.98 -0.05 115.11 120.98 2dmp h GLN 22 Ca -0.47 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 56.78 2dmp h GLN 22 Cb 1.21 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 28.64 2dmp h GLN 22 CO 0.61 -0.18 -0.47 0.78 -0.95 0.00 0.00 178.83 178.62 2dmp h GLY 23 N -0.29 -1.17 -0.05 3.46 0.00 -1.98 0.18 103.07 103.22 2dmp h GLY 23 Ca 0.11 0.72 0.02 0.00 0.00 0.00 0.00 47.33 48.17 2dmp h GLY 23 CO -0.69 -0.24 -0.34 1.46 0.00 0.00 0.00 176.54 176.74 2dmp h GLN 24 N -0.40 -0.37 -0.93 4.80 4.20 -1.73 0.25 115.11 120.93 2dmp h GLN 24 Ca 0.05 0.03 0.26 0.00 0.06 0.00 0.00 58.65 59.04 2dmp h GLN 24 Cb 0.53 0.08 -0.14 0.00 0.30 0.00 0.00 27.48 28.26 2dmp h GLN 24 CO -0.45 -0.25 0.39 0.28 -0.67 0.00 0.00 178.83 178.14 2dmp h VAL 25 N -0.39 0.36 -0.75 -0.54 2.07 -0.77 0.41 116.25 116.65 2dmp h VAL 25 Ca 0.02 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 2dmp h VAL 25 Cb 0.44 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 2dmp h VAL 25 CO -0.26 0.06 0.37 0.11 0.02 0.00 0.00 177.57 177.87 2dmp h LYS 26 N 0.31 1.07 -0.14 1.57 1.79 0.58 0.46 116.57 122.21 2dmp h LYS 26 Ca 0.61 -0.15 -0.08 0.00 -2.18 0.00 0.00 60.65 58.86 2dmp h LYS 26 Cb 1.27 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.71 2dmp h LYS 26 CO -0.60 0.82 -0.26 0.82 -1.08 0.00 0.00 179.45 179.15 2dmp h ILE 27 N 1.04 1.24 0.00 1.86 2.04 0.17 -2.42 117.51 121.46 2dmp h ILE 27 Ca 0.26 -1.15 -0.24 0.00 1.00 0.00 0.00 64.86 64.73 2dmp h ILE 27 Cb 0.10 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 2dmp h ILE 27 CO -0.03 0.35 -1.25 -0.07 0.00 0.00 0.00 178.15 177.14 2dmp h LEU 28 N 0.22 0.01 -1.03 1.44 3.38 -0.60 -3.09 115.31 115.65 2dmp h LEU 28 Ca 0.03 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2dmp h LEU 28 Cb 0.59 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2dmp h LEU 28 CO 0.04 1.01 -0.29 -0.33 0.09 0.00 0.00 178.44 178.96 2dmp h GLU 29 N 0.00 0.34 0.00 1.13 5.08 0.14 0.73 114.58 122.00 2dmp h GLU 29 Ca -0.11 -0.13 -0.21 0.00 -1.00 0.00 0.00 59.36 57.92 2dmp h GLU 29 Cb 1.86 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.06 2dmp h GLU 29 CO 0.11 0.60 -0.98 0.22 -1.00 0.00 0.00 179.01 177.96 2dmp h ASP 30 N 0.30 0.01 0.03 1.42 3.58 -1.52 -2.38 116.42 117.86 2dmp h ASP 30 Ca 0.04 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.40 2dmp h ASP 30 Cb 0.67 -0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.73 2dmp h ASP 30 CO 0.05 0.99 -0.35 0.77 -2.88 0.00 0.00 179.24 177.81 2dmp h SER 31 N 0.00 0.25 0.48 2.28 4.64 -1.41 -3.04 113.55 116.75 2dmp h SER 31 Ca -0.01 -0.87 -0.02 0.00 -0.47 0.00 0.00 61.79 60.41 2dmp h SER 31 Cb 1.73 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 2dmp h SER 31 CO 0.13 1.10 -0.23 0.15 -0.87 0.00 0.00 176.83 177.10 2dmp h PHE 32 N -0.56 -0.60 -1.04 4.77 3.57 -0.92 0.61 116.94 122.77 2dmp h PHE 32 Ca -0.05 -0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.70 2dmp h PHE 32 Cb 1.18 0.20 -0.09 0.00 2.79 0.00 0.00 35.95 40.03 2dmp h PHE 32 CO 0.21 -0.28 0.68 -0.07 -2.23 0.00 0.00 178.31 176.62 2dmp h LEU 33 N -0.95 0.38 0.00 0.59 3.38 -1.59 0.32 115.31 117.44 2dmp h LEU 33 Ca -0.07 0.07 -0.23 0.00 0.09 0.00 0.00 57.88 57.75 2dmp h LEU 33 Cb 0.59 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2dmp h LEU 33 CO 0.11 0.08 -1.34 0.07 0.09 0.00 0.00 178.44 177.45 2dmp h LYS 34 N 0.34 0.00 -1.36 1.13 2.10 -1.41 -3.45 116.57 113.92 2dmp h LYS 34 Ca 0.58 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.23 2dmp h LYS 34 Cb 1.57 0.00 -0.24 0.00 -0.90 0.00 0.00 32.23 32.66 2dmp h LYS 34 CO -0.25 0.60 -0.34 -1.12 -2.00 0.00 0.00 179.45 176.34 2dmp s SER 35 N -6.24 -0.80 0.15 7.07 0.01 0.21 -5.04 113.70 109.06 2dmp s SER 35 Ca -0.02 0.67 -0.17 0.00 1.31 0.00 0.00 55.95 57.74 2dmp s SER 35 Cb 0.09 1.79 0.03 0.00 0.21 0.00 0.00 66.02 68.14 2dmp s SER 35 CO 0.81 -0.27 1.75 0.77 0.41 0.00 0.00 173.24 176.72 2dmp h SER 36 N 8.07 0.14 -3.34 2.44 4.64 -1.66 -3.29 113.55 120.55 2dmp h SER 36 Ca -0.22 0.03 -0.73 0.00 -0.47 0.00 0.00 61.79 60.41 2dmp h SER 36 Cb 1.16 0.01 -0.28 0.00 -0.31 0.00 0.00 62.40 62.98 2dmp h SER 36 CO 0.26 0.12 -0.40 -0.36 -0.87 0.00 0.00 176.83 175.57 2dmp s PHE 37 N -6.17 3.37 0.43 4.77 0.40 -1.26 -4.88 117.98 114.64 2dmp s PHE 37 Ca -0.13 -1.66 -0.24 0.00 -0.60 0.00 0.00 56.93 54.30 2dmp s PHE 37 Cb 0.11 -3.31 -0.08 0.00 0.51 0.00 0.00 43.02 40.25 2dmp s PHE 37 CO 0.71 -0.93 1.18 -1.25 0.70 0.00 0.00 175.22 175.62 2dmp s PRO 38 N 1.42 3.92 0.36 0.24 0.04 -1.26 -5.03 135.00 134.68 2dmp s PRO 38 Ca 0.04 1.83 -0.16 0.00 0.04 0.00 0.00 61.00 62.75 2dmp s PRO 38 Cb -0.25 -2.56 -0.09 0.00 0.04 0.00 0.00 34.50 31.63 2dmp s PRO 38 CO 0.01 -0.43 0.80 -0.08 0.04 0.00 0.00 177.00 177.33 2dmp s THR 39 N -1.46 4.60 0.25 1.26 -1.32 -1.26 -4.76 115.64 112.96 2dmp s THR 39 Ca 0.60 1.08 0.12 0.00 -1.21 0.00 0.00 61.69 62.28 2dmp s THR 39 Cb -0.30 -3.61 0.25 0.00 -1.51 0.00 0.00 72.50 67.33 2dmp s THR 39 CO 0.38 -0.24 1.10 0.00 -2.21 0.00 0.00 174.62 173.65 2dmp n GLN 40 N -0.48 -0.04 0.22 7.08 1.13 -1.26 0.99 117.38 125.01 2dmp n GLN 40 Ca 0.04 0.98 -0.14 0.00 -1.94 0.00 0.00 57.00 55.94 2dmp n GLN 40 Cb 0.53 -1.72 -0.08 0.00 0.11 0.00 0.00 30.24 29.09 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 1.39 -0.57 -0.06 -1.58 0.00 -2.00 -2.67 119.26 113.77 2dmp h ALA 41 Ca 0.56 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.29 2dmp h ALA 41 Cb 1.44 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 2dmp h ALA 41 CO -0.56 -0.66 -0.14 1.49 0.00 0.00 0.00 179.25 179.38 2dmp h GLU 42 N -0.89 -0.13 -0.87 0.00 4.57 0.29 -2.27 114.58 115.28 2dmp h GLU 42 Ca -0.06 0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.26 2dmp h GLU 42 Cb 0.56 0.03 -0.14 0.00 -0.16 0.00 0.00 28.75 29.04 2dmp h GLU 42 CO 0.10 -0.08 -0.40 -0.07 -1.18 0.00 0.00 179.01 177.37 2dmp h LEU 43 N -0.13 -1.46 -1.18 1.64 3.38 -1.51 0.78 115.31 116.83 2dmp h LEU 43 Ca 0.01 0.29 0.41 0.00 0.09 0.00 0.00 57.88 58.69 2dmp h LEU 43 Cb 0.16 0.73 -0.15 0.00 0.09 0.00 0.00 40.66 41.49 2dmp h LEU 43 CO -0.13 -0.29 0.69 0.44 0.09 0.00 0.00 178.44 179.24 2dmp h ASP 44 N -0.06 0.32 0.60 -0.43 5.19 -1.05 1.08 116.42 122.07 2dmp h ASP 44 Ca 0.29 0.19 -0.28 0.00 -0.62 0.00 0.00 57.03 56.62 2dmp h ASP 44 Cb 0.57 0.19 -0.03 0.00 0.18 0.00 0.00 39.33 40.23 2dmp h ASP 44 CO -0.89 -0.28 -1.50 -0.09 -3.12 0.00 0.00 179.24 173.36 2dmp h ARG 45 N 0.09 0.06 -0.25 3.56 2.43 0.77 -3.31 114.38 117.74 2dmp h ARG 45 Ca 0.82 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.87 2dmp h ARG 45 Cb 2.32 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.90 2dmp h ARG 45 CO -0.59 0.78 0.09 -0.07 -1.51 0.00 0.00 179.97 178.68 2dmp h LEU 46 N 0.02 0.35 0.60 3.80 3.38 0.37 0.69 115.31 124.52 2dmp h LEU 46 Ca -0.21 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 2dmp h LEU 46 Cb 1.95 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 2dmp h LEU 46 CO 0.11 0.43 -0.46 0.03 0.09 0.00 0.00 178.44 178.63 2dmp h ARG 47 N 0.24 -0.99 -0.40 1.13 3.08 -0.84 0.30 114.38 116.90 2dmp h ARG 47 Ca 0.08 0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.25 2dmp h ARG 47 Cb 0.20 0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 2dmp h ARG 47 CO -0.01 -0.66 0.14 -0.24 -1.07 0.00 0.00 179.97 178.13 2dmp h VAL 48 N -1.03 0.88 -0.48 2.04 3.04 -1.64 2.20 116.25 121.25 2dmp h VAL 48 Ca -0.08 -0.10 0.08 0.00 -1.01 0.00 0.00 66.70 65.59 2dmp h VAL 48 Cb 0.86 0.56 -0.07 0.00 -2.01 0.00 0.00 31.29 30.62 2dmp h VAL 48 CO 0.02 0.05 0.08 -0.33 -1.01 0.00 0.00 177.57 176.38 2dmp h GLU 49 N 0.30 0.20 -0.01 4.17 5.08 -0.70 -0.62 114.58 123.00 2dmp h GLU 49 Ca 0.18 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2dmp h GLU 49 Cb 0.17 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2dmp h GLU 49 CO -0.19 0.13 -0.26 0.25 -1.00 0.00 0.00 179.01 177.94 2dmp n THR 50 N -5.14 0.00 -3.41 1.13 -2.24 0.08 -4.89 114.28 99.82 2dmp n THR 50 Ca 0.05 -0.13 -0.19 0.00 -2.27 0.00 0.00 64.05 61.51 2dmp n THR 50 Cb 0.24 0.42 0.08 0.00 -2.10 0.00 0.00 70.33 68.98 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 -0.62 -6.70 -4.53 -0.78 4.01 0.70 -4.83 118.16 105.41 2dmp n LYS 51 Ca 0.12 0.78 -0.25 0.00 -0.51 0.00 0.00 58.31 58.45 2dmp n LYS 51 Cb 0.35 -5.62 -0.10 0.00 -0.51 0.00 0.00 35.03 29.16 2dmp n LYS 51 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2dmp s LEU 52 N -6.40 2.28 0.54 -0.35 1.43 0.11 -4.97 118.68 111.31 2dmp s LEU 52 Ca 0.25 -1.47 0.08 0.00 -1.03 0.00 0.00 54.13 51.97 2dmp s LEU 52 Cb -0.11 -0.46 0.06 0.00 0.03 0.00 0.00 46.19 45.71 2dmp s LEU 52 CO 0.67 -0.68 0.64 -0.44 0.23 0.00 0.00 176.35 176.78 2dmp s SER 53 N -3.60 5.06 0.01 2.29 0.01 -1.26 -4.36 113.70 111.85 2dmp s SER 53 Ca 0.30 -0.88 -0.09 0.00 1.31 0.00 0.00 55.95 56.59 2dmp s SER 53 Cb 0.07 0.14 -0.05 0.00 0.21 0.00 0.00 66.02 66.39 2dmp s SER 53 CO 0.14 -1.16 1.04 0.03 0.41 0.00 0.00 173.24 173.70 2dmp h ARG 54 N 0.43 -0.32 -1.26 12.44 2.47 -1.99 -2.45 114.38 123.69 2dmp h ARG 54 Ca -0.33 0.02 0.39 0.00 -1.26 0.00 0.00 59.98 58.79 2dmp h ARG 54 Cb 1.29 0.07 -0.11 0.00 -1.65 0.00 0.00 29.97 29.57 2dmp h ARG 54 CO 0.46 -0.21 0.83 0.07 0.56 0.00 0.00 179.97 181.68 2dmp h ARG 55 N -0.36 0.16 0.55 0.04 -0.00 -1.98 0.84 114.38 113.62 2dmp h ARG 55 Ca -0.03 -0.01 -0.03 0.00 -0.00 0.00 0.00 59.98 59.91 2dmp h ARG 55 Cb 0.26 -0.04 0.01 0.00 -0.00 0.00 0.00 29.97 30.20 2dmp h ARG 55 CO 0.06 0.10 -0.26 0.93 -0.00 0.00 0.00 179.97 180.80 2dmp h GLU 56 N 0.16 -0.71 -0.21 0.08 5.08 -1.92 -3.10 114.58 113.96 2dmp h GLU 56 Ca 0.74 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 59.17 2dmp h GLU 56 Cb 2.31 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 31.69 2dmp h GLU 56 CO -0.32 -0.47 0.04 0.82 -1.00 0.00 0.00 179.01 178.07 2dmp h ILE 57 N -0.75 0.90 -0.80 3.13 2.04 -0.72 -2.41 117.51 118.90 2dmp h ILE 57 Ca -0.08 -0.04 0.29 0.00 1.00 0.00 0.00 64.86 66.04 2dmp h ILE 57 Cb 0.56 0.77 -0.15 0.00 -0.74 0.00 0.00 36.82 37.27 2dmp h ILE 57 CO 0.12 0.02 0.28 -0.67 0.00 0.00 0.00 178.15 177.91 2dmp n ASP 58 N -5.09 0.14 0.01 1.72 -0.08 0.16 0.11 116.55 113.53 2dmp n ASP 58 Ca -0.02 1.34 -0.13 0.00 -1.51 0.00 0.00 54.79 54.46 2dmp n ASP 58 Cb 0.09 -0.59 -0.09 0.00 2.34 0.00 0.00 41.12 42.87 2dmp n ASP 58 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2dmp h SER 59 N 0.00 -0.04 -0.50 1.67 0.02 -1.35 -0.62 113.55 112.73 2dmp h SER 59 Ca 0.61 -0.40 0.10 0.00 -0.84 0.00 0.00 61.79 61.25 2dmp h SER 59 Cb 1.50 0.01 -0.10 0.00 0.14 0.00 0.00 62.40 63.95 2dmp h SER 59 CO -0.66 0.39 -0.24 -0.25 -1.14 0.00 0.00 176.83 174.93 2dmp h TRP 60 N -0.47 -0.62 0.05 3.45 7.01 0.88 -1.84 115.95 124.40 2dmp h TRP 60 Ca -0.00 0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.05 2dmp h TRP 60 Cb 0.44 0.35 0.00 0.00 -2.10 0.00 0.00 29.16 27.85 2dmp h TRP 60 CO 0.07 -0.32 -0.02 0.74 -2.79 0.00 0.00 178.44 176.12 2dmp h PHE 61 N -0.13 -0.06 -0.97 2.65 -1.00 -1.33 -0.28 116.94 115.83 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 0.49 0.02 -0.18 0.00 3.61 0.00 0.00 35.95 39.89 2dmp h PHE 61 CO -0.52 0.26 -0.28 0.43 -1.61 0.00 0.00 178.31 176.59 2dmp n SER 62 N -4.97 -0.42 -0.01 2.17 7.64 -0.24 -0.64 113.62 117.14 2dmp n SER 62 Ca -0.08 1.67 -0.16 0.00 1.01 0.00 0.00 58.87 61.30 2dmp n SER 62 Cb 0.19 -0.47 -0.12 0.00 -1.01 0.00 0.00 64.21 62.80 2dmp n SER 62 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2dmp h GLU 63 N 0.00 0.27 -0.83 1.43 5.08 -1.34 -3.32 114.58 115.87 2dmp h GLU 63 Ca 0.43 -0.30 0.10 0.00 -1.00 0.00 0.00 59.36 58.59 2dmp h GLU 63 Cb 0.67 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.88 2dmp h GLU 63 CO -0.98 1.02 -0.48 -0.09 -1.00 0.00 0.00 179.01 177.47 2dmp h ARG 64 N -0.35 -0.09 -1.00 2.33 9.65 0.98 0.59 114.38 126.48 2dmp h ARG 64 Ca -0.05 0.01 0.23 0.00 -1.10 0.00 0.00 59.98 59.07 2dmp h ARG 64 Cb 1.17 0.02 -0.12 0.00 -1.39 0.00 0.00 29.97 29.65 2dmp h ARG 64 CO 0.08 -0.06 0.60 0.00 2.80 0.00 0.00 179.97 183.39 2dmp h ARG 65 N -0.10 0.60 0.53 0.20 3.08 -1.20 0.32 114.38 117.82 2dmp h ARG 65 Ca 0.21 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 2dmp h ARG 65 Cb 0.52 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 2dmp h ARG 65 CO -0.85 0.40 -0.33 0.87 -1.07 0.00 0.00 179.97 178.98 2dmp h LYS 66 N 0.62 -0.78 -0.50 0.04 1.57 0.07 0.35 116.57 117.95 2dmp h LYS 66 Ca 0.63 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 59.49 2dmp h LYS 66 Cb 1.16 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.62 2dmp h LYS 66 CO -0.46 -0.52 0.33 1.37 -0.57 0.00 0.00 179.45 179.60 2dmp h LEU 67 N -0.81 0.52 -0.67 2.94 8.10 -0.84 0.11 115.31 124.67 2dmp h LEU 67 Ca -0.07 -0.01 -0.11 0.00 0.11 0.00 0.00 57.88 57.80 2dmp h LEU 67 Cb 0.65 -0.13 -0.02 0.00 -0.44 0.00 0.00 40.66 40.72 2dmp h LEU 67 CO 0.07 0.37 -0.12 -0.09 -4.11 0.00 0.00 178.44 174.56 2dmp h ARG 68 N 0.61 0.92 -0.01 0.17 9.65 -0.13 -3.19 114.38 122.39 2dmp h ARG 68 Ca 0.19 -0.33 -0.13 0.00 -1.10 0.00 0.00 59.98 58.62 2dmp h ARG 68 Cb 0.02 -0.06 0.01 0.00 -1.39 0.00 0.00 29.97 28.55 2dmp h ARG 68 CO -0.05 0.98 -0.49 0.22 2.80 0.00 0.00 179.97 183.44 2dmp h ASP 69 N 0.82 0.45 -2.68 -3.80 1.82 0.59 -3.46 116.42 110.16 2dmp h ASP 69 Ca 0.13 -0.75 -0.60 0.00 -0.39 0.00 0.00 57.03 55.43 2dmp h ASP 69 Cb 0.65 -0.14 0.10 0.00 0.68 0.00 0.00 39.33 40.62 2dmp h ASP 69 CO 0.05 1.14 0.31 -1.20 -1.61 0.00 0.00 179.24 177.92 2dmp n SER 70 N -4.31 1.89 -0.22 2.28 7.64 0.32 -4.89 113.62 116.34 2dmp n SER 70 Ca -0.10 1.18 -0.07 0.00 1.01 0.00 0.00 58.87 60.89 2dmp n SER 70 Cb 0.61 -1.35 0.03 0.00 -1.01 0.00 0.00 64.21 62.49 2dmp n SER 70 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2dmp h MET 71 N 2.57 0.92 -0.75 1.43 4.05 -1.88 -3.03 114.93 118.24 2dmp h MET 71 Ca -0.42 -0.18 0.19 0.00 -0.28 0.00 0.00 59.70 59.01 2dmp h MET 71 Cb 1.32 -0.14 -0.14 0.00 -0.80 0.00 0.00 31.60 31.83 2dmp h MET 71 CO 0.64 0.80 -0.05 -1.91 0.23 0.00 0.00 176.91 176.61 2dmp n GLU 72 N -4.43 -0.06 -1.84 0.39 4.07 -1.26 -4.26 120.64 113.24 2dmp n GLU 72 Ca 0.04 1.14 -0.42 0.00 -0.06 0.00 0.00 57.16 57.86 2dmp n GLU 72 Cb 0.18 -1.78 -0.03 0.00 -0.06 0.00 0.00 31.44 29.76 2dmp n GLU 72 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 2dmp s GLN 73 N -5.76 4.17 -0.05 5.31 2.00 -1.15 -4.91 119.66 119.27 2dmp s GLN 73 Ca -0.10 2.48 -0.30 0.00 -2.00 0.00 0.00 55.36 55.44 2dmp s GLN 73 Cb 0.22 -3.09 -0.06 0.00 0.80 0.00 0.00 33.01 30.87 2dmp s GLN 73 CO 0.59 -0.63 1.72 0.00 -0.50 0.00 0.00 175.29 176.46 2dmp s ALA 74 N 0.73 3.58 0.04 1.58 0.00 -1.26 -4.99 121.76 121.44 2dmp s ALA 74 Ca 0.68 0.98 0.01 0.00 0.00 0.00 0.00 51.96 53.64 2dmp s ALA 74 Cb -0.46 -3.77 -0.02 0.00 0.00 0.00 0.00 23.12 18.86 2dmp s ALA 74 CO 0.37 -1.47 -0.06 0.54 0.00 0.00 0.00 175.76 175.14 2dmp s VAL 75 N 4.22 0.38 -0.22 0.00 0.11 -1.26 -5.12 120.40 118.52 2dmp s VAL 75 Ca 0.76 -1.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.45 2dmp s VAL 75 Cb -0.35 -0.55 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 2dmp s VAL 75 CO 0.32 -0.46 1.23 -0.22 -3.33 0.00 0.00 175.10 172.64 2dmp s LEU 76 N -1.63 4.08 0.18 2.54 1.98 -1.26 -4.99 118.68 119.59 2dmp s LEU 76 Ca -0.11 1.49 -0.21 0.00 -2.89 0.00 0.00 54.13 52.42 2dmp s LEU 76 Cb -0.09 -3.54 0.05 0.00 0.66 0.00 0.00 46.19 43.27 2dmp s LEU 76 CO -0.01 -0.84 0.57 1.51 -1.89 0.00 0.00 176.35 175.70 2dmp s ASP 77 N 2.07 -0.42 0.46 3.68 1.47 -1.26 -5.17 116.67 117.50 2dmp s ASP 77 Ca 0.53 -0.23 -0.13 0.00 1.18 0.00 0.00 52.55 53.91 2dmp s ASP 77 Cb -0.19 0.60 -0.07 0.00 -0.34 0.00 0.00 42.92 42.92 2dmp s ASP 77 CO 0.16 -1.03 0.86 -0.44 0.68 0.00 0.00 175.17 175.40 2dmp s SER 78 N -2.81 6.54 0.07 2.11 0.01 -1.26 -5.09 113.70 113.27 2dmp s SER 78 Ca 0.04 1.30 0.01 0.00 1.31 0.00 0.00 55.95 58.61 2dmp s SER 78 Cb -0.01 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 2dmp s SER 78 CO -0.08 -0.49 -0.06 -0.32 0.41 0.00 0.00 173.24 172.70 2dmp s MET 79 N -4.01 0.67 0.00 12.44 1.75 -1.26 -5.04 119.30 123.85 2dmp s MET 79 Ca 0.54 -1.10 0.00 0.00 -1.25 0.00 0.00 55.69 53.88 2dmp s MET 79 Cb -0.10 -0.13 0.00 0.00 2.84 0.00 0.00 34.83 37.44 2dmp s MET 79 CO 0.33 -0.02 0.00 0.41 -0.65 0.00 0.00 175.02 175.09 2dmp n GLY 80 N 0.52 0.35 0.08 2.11 0.00 -1.26 -5.10 105.19 101.89 2dmp n GLY 80 Ca -0.16 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 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 1.85 0.00 1.61 7.64 -1.26 -5.08 113.62 118.38 2dmp n SER 81 Ca 0.00 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2dmp n SER 81 Cb 0.00 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 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 1.54 3.00 3.33 0.23 0.00 -1.26 -5.02 105.19 107.01 2dmp n GLY 82 Ca -0.15 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 2dmp n GLY 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dmp n LYS 83 N 0.00 -6.94 -3.68 1.61 3.00 -1.26 -5.00 118.16 105.89 2dmp n LYS 83 Ca 0.00 0.73 -0.29 0.00 -0.00 0.00 0.00 58.31 58.76 2dmp n LYS 83 Cb 0.00 -5.48 -0.16 0.00 0.00 0.00 0.00 35.03 29.39 2dmp n LYS 83 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2dmp s SER 84 N -3.36 3.39 0.00 3.14 0.01 -1.26 -5.08 113.70 110.53 2dmp s SER 84 Ca 0.47 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.55 2dmp s SER 84 Cb -0.21 -0.60 0.00 0.00 0.21 0.00 0.00 66.02 65.42 2dmp s SER 84 CO 0.64 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 174.53 2dmp n GLY 85 N 5.05 0.29 3.77 3.44 0.00 -1.26 -5.05 105.19 111.43 2dmp n GLY 85 Ca -0.06 -2.08 -0.39 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.02 4.25 -0.31 1.61 0.04 -1.26 -5.01 135.00 134.29 2dmp s PRO 86 Ca 0.00 1.96 -0.14 0.00 0.04 0.00 0.00 61.00 62.86 2dmp s PRO 86 Cb 0.00 -2.89 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 2dmp s PRO 86 CO 0.00 -0.19 0.32 0.45 0.04 0.00 0.00 177.00 177.62 2dmp s SER 87 N -0.87 6.16 0.25 6.66 0.15 -1.26 -4.97 113.70 119.82 2dmp s SER 87 Ca 0.52 -0.07 -0.03 0.00 0.70 0.00 0.00 55.95 57.08 2dmp s SER 87 Cb -0.34 -2.18 0.50 0.00 -1.71 0.00 0.00 66.02 62.29 2dmp s SER 87 CO 0.44 -0.23 1.73 -1.28 1.20 0.00 0.00 173.24 175.10 2dmp h SER 88 N 8.37 0.33 0.00 5.45 0.87 -2.04 -3.56 113.55 122.97 2dmp h SER 88 Ca -0.31 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2dmp h SER 88 Cb 1.16 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2dmp h SER 88 CO 0.65 0.11 0.00 0.61 -0.53 0.00 0.00 176.83 177.67