#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gdf n PRO 2 N 0.00 0.23 -1.14 0.03 -0.02 -1.26 -4.66 135.00 128.18 3gdf n PRO 2 Ca 0.00 -0.72 0.15 0.00 -2.02 0.00 0.00 63.50 60.91 3gdf n PRO 2 Cb 0.00 -2.70 -0.05 0.00 -0.02 0.00 0.00 33.50 30.72 3gdf n PRO 2 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gdf n GLY 3 N 5.99 -2.46 3.71 -1.23 0.00 -1.25 -4.78 105.19 105.17 3gdf n GLY 3 Ca 0.44 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 3gdf n GLY 3 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gdf s GLN 4 N -2.94 4.53 0.37 1.61 -0.21 -1.25 -4.92 119.66 116.84 3gdf s GLN 4 Ca 0.00 1.31 0.07 0.00 0.02 0.00 0.00 55.36 56.77 3gdf s GLN 4 Cb 0.00 -3.46 -0.02 0.00 1.00 0.00 0.00 33.01 30.53 3gdf s GLN 4 CO 0.00 -0.05 0.38 -0.65 -2.12 0.00 0.00 175.29 172.86 3gdf s GLN 5 N 1.04 2.74 0.58 2.91 -0.21 -1.26 -5.11 119.66 120.35 3gdf s GLN 5 Ca 0.49 -1.32 -0.14 0.00 0.02 0.00 0.00 55.36 54.41 3gdf s GLN 5 Cb -0.20 -2.54 -0.05 0.00 1.00 0.00 0.00 33.01 31.22 3gdf s GLN 5 CO 0.25 -0.05 1.02 0.00 -2.12 0.00 0.00 175.29 174.40 3gdf s ALA 6 N -2.34 2.94 0.52 6.09 0.00 -1.26 -4.93 121.76 122.78 3gdf s ALA 6 Ca 0.46 0.17 -0.20 0.00 0.00 0.00 0.00 51.96 52.39 3gdf s ALA 6 Cb -0.06 -3.15 -0.09 0.00 0.00 0.00 0.00 23.12 19.82 3gdf s ALA 6 CO 0.28 -0.60 0.72 2.41 0.00 0.00 0.00 175.76 178.57 3gdf n THR 7 N -2.13 2.53 0.58 0.00 -1.04 -1.26 -4.88 114.28 108.08 3gdf n THR 7 Ca 0.07 -0.50 0.12 0.00 -2.04 0.00 0.00 64.05 61.70 3gdf n THR 7 Cb 0.54 -0.85 0.13 0.00 -1.82 0.00 0.00 70.33 68.33 3gdf n THR 7 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3gdf n LYS 8 N -0.12 0.28 -3.35 -2.82 4.76 -1.26 -4.87 118.16 110.78 3gdf n LYS 8 Ca 0.12 0.06 -0.38 0.00 -2.87 0.00 0.00 58.31 55.23 3gdf n LYS 8 Cb 0.45 -1.65 -0.06 0.00 -1.84 0.00 0.00 35.03 31.92 3gdf n LYS 8 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3gdf s HIS 9 N -3.17 3.64 -0.34 2.13 3.76 -1.26 -4.95 115.29 115.10 3gdf s HIS 9 Ca 0.06 1.01 0.23 0.00 -0.15 0.00 0.00 55.06 56.20 3gdf s HIS 9 Cb 0.14 -2.47 -0.01 0.00 1.11 0.00 0.00 32.58 31.34 3gdf s HIS 9 CO 0.74 0.39 0.97 -1.91 -0.85 0.00 0.00 174.74 174.08 3gdf n GLU 10 N 2.73 0.50 -2.92 1.40 0.00 -1.26 -4.84 120.64 116.25 3gdf n GLU 10 Ca -0.10 0.03 -0.40 0.00 0.00 0.00 0.00 57.16 56.70 3gdf n GLU 10 Cb 0.52 -1.70 -0.05 0.00 0.00 0.00 0.00 31.44 30.20 3gdf n GLU 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3gdf s SER 11 N -4.74 7.34 0.16 4.31 0.15 -1.26 -4.97 113.70 114.68 3gdf s SER 11 Ca -0.00 1.59 -0.10 0.00 0.70 0.00 0.00 55.95 58.14 3gdf s SER 11 Cb 0.12 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 3gdf s SER 11 CO 0.81 0.06 1.53 0.25 1.20 0.00 0.00 173.24 177.09 3gdf h LEU 12 N 5.20 1.02 -1.76 3.45 6.46 -1.99 -1.70 115.31 125.99 3gdf h LEU 12 Ca -0.45 -0.41 -0.03 0.00 -0.12 0.00 0.00 57.88 56.87 3gdf h LEU 12 Cb 1.21 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.85 3gdf h LEU 12 CO 0.70 1.21 -0.15 -0.07 -0.62 0.00 0.00 178.44 179.50 3gdf h LEU 13 N 0.83 0.00 0.00 2.25 3.38 -1.99 0.04 115.31 119.83 3gdf h LEU 13 Ca 0.10 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 3gdf h LEU 13 Cb 0.84 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3gdf h LEU 13 CO 0.07 0.15 -0.91 0.44 0.09 0.00 0.00 178.44 178.28 3gdf h ASP 14 N 0.00 0.00 -0.23 -0.43 3.45 -1.90 -2.78 116.42 114.52 3gdf h ASP 14 Ca -0.00 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.27 3gdf h ASP 14 Cb 0.29 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.07 3gdf h ASP 14 CO 0.02 0.60 -0.57 1.56 -1.57 0.00 0.00 179.24 179.28 3gdf h GLN 15 N 0.00 0.80 0.00 3.56 4.20 -0.35 -3.17 115.11 120.14 3gdf h GLN 15 Ca -0.07 -0.55 -0.04 0.00 0.06 0.00 0.00 58.65 58.05 3gdf h GLN 15 Cb 1.52 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.37 3gdf h GLN 15 CO 0.07 1.17 -0.19 -0.07 -0.67 0.00 0.00 178.83 179.14 3gdf h LEU 16 N 0.55 0.00 -9.75 1.46 3.38 -1.10 0.11 115.31 109.96 3gdf h LEU 16 Ca -0.01 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3gdf h LEU 16 Cb 1.19 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.03 3gdf h LEU 16 CO 0.12 0.19 0.78 -0.24 0.09 0.00 0.00 178.44 179.39 3gdf n SER 17 N -3.23 3.51 -0.52 -0.43 2.88 -1.05 -4.76 113.62 110.01 3gdf n SER 17 Ca 0.01 1.15 0.08 0.00 -1.33 0.00 0.00 58.87 58.79 3gdf n SER 17 Cb 0.49 -1.55 0.19 0.00 -0.75 0.00 0.00 64.21 62.60 3gdf n SER 17 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3gdf n LEU 18 N 1.96 3.15 -4.76 2.46 4.77 0.14 -4.72 117.00 120.00 3gdf n LEU 18 Ca 0.09 -2.92 -0.41 0.00 -0.03 0.00 0.00 56.01 52.74 3gdf n LEU 18 Cb 0.35 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 3gdf n LEU 18 CO 0.63 0.68 1.12 -0.54 -1.33 0.00 0.00 177.39 177.96 3gdf s LYS 19 N -2.62 4.20 0.00 3.23 1.02 -1.11 -1.52 119.74 122.95 3gdf s LYS 19 Ca 0.35 2.43 0.00 0.00 0.02 0.00 0.00 55.97 58.77 3gdf s LYS 19 Cb 0.28 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 3gdf s LYS 19 CO 0.07 -0.46 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 3gdf n GLY 20 N 1.43 0.58 3.47 -3.33 0.00 -1.26 -5.01 105.19 101.08 3gdf n GLY 20 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 3gdf n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gdf s LYS 21 N -0.19 1.69 -0.15 1.61 1.02 -0.57 -5.08 119.74 118.07 3gdf s LYS 21 Ca 0.00 -1.62 0.02 0.00 0.02 0.00 0.00 55.97 54.39 3gdf s LYS 21 Cb 0.00 -1.85 0.02 0.00 -0.52 0.00 0.00 37.83 35.47 3gdf s LYS 21 CO 0.00 0.37 -0.19 0.08 -0.92 0.00 0.00 175.35 174.68 3gdf s VAL 22 N -2.13 1.92 -0.03 3.17 1.01 -1.26 -2.51 120.40 120.58 3gdf s VAL 22 Ca 0.26 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.44 3gdf s VAL 22 Cb -0.06 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 3gdf s VAL 22 CO 0.13 0.52 -0.24 0.54 0.00 0.00 0.00 175.10 176.06 3gdf s VAL 23 N 1.08 2.26 -0.05 2.92 0.11 -0.77 0.92 120.40 126.87 3gdf s VAL 23 Ca -0.02 -1.03 0.06 0.00 -2.93 0.00 0.00 61.98 58.06 3gdf s VAL 23 Cb -0.14 -1.80 -0.01 0.00 -1.53 0.00 0.00 36.38 32.90 3gdf s VAL 23 CO -0.07 0.58 -0.23 0.54 -3.33 0.00 0.00 175.10 172.60 3gdf s VAL 24 N -0.64 1.86 0.02 2.04 0.11 -0.86 -1.39 120.40 121.54 3gdf s VAL 24 Ca 0.10 -0.96 0.08 0.00 -2.93 0.00 0.00 61.98 58.27 3gdf s VAL 24 Cb -0.10 -1.57 -0.02 0.00 -1.53 0.00 0.00 36.38 33.16 3gdf s VAL 24 CO -0.01 0.52 -0.24 -0.69 -3.33 0.00 0.00 175.10 171.35 3gdf s VAL 25 N -0.18 1.94 0.00 2.04 1.01 0.04 -0.31 120.40 124.94 3gdf s VAL 25 Ca -0.01 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.77 3gdf s VAL 25 Cb -0.12 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.61 3gdf s VAL 25 CO 0.02 0.41 0.09 0.35 0.00 0.00 0.00 175.10 175.97 3gdf n THR 26 N 2.09 0.00 0.00 3.92 -2.24 -0.98 -1.28 114.28 115.79 3gdf n THR 26 Ca -0.16 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3gdf n THR 26 Cb 0.52 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 3gdf n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gdf n GLY 27 N 1.86 -1.48 2.91 3.38 0.00 -1.26 -2.36 105.19 108.24 3gdf n GLY 27 Ca 0.00 0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 3gdf n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gdf n ALA 28 N -2.66 -0.91 0.85 4.61 0.00 -1.26 -4.28 120.51 116.86 3gdf n ALA 28 Ca 0.00 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.50 3gdf n ALA 28 Cb 0.00 -1.08 0.35 0.00 0.00 0.00 0.00 19.45 18.72 3gdf n ALA 28 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gdf n SER 29 N -1.53 0.45 -4.04 0.00 7.64 -1.26 -4.41 113.62 110.48 3gdf n SER 29 Ca 0.04 0.15 -0.12 0.00 1.01 0.00 0.00 58.87 59.95 3gdf n SER 29 Cb 0.40 -0.11 -0.12 0.00 -1.01 0.00 0.00 64.21 63.38 3gdf n SER 29 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3gdf s GLY 30 N -3.24 0.45 0.00 0.23 0.00 -1.26 -3.60 107.32 99.90 3gdf s GLY 30 Ca 0.11 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.12 3gdf s GLY 30 CO 0.65 -0.76 0.19 -1.05 0.00 0.00 0.00 173.10 172.13 3gdf n PRO 31 N 1.57 0.31 -3.19 2.90 -0.02 -1.26 -4.23 135.00 131.09 3gdf n PRO 31 Ca -0.22 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.27 3gdf n PRO 31 Cb 0.55 -1.19 -0.01 0.00 -0.02 0.00 0.00 33.50 32.82 3gdf n PRO 31 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3gdf s LYS 32 N -0.68 0.53 0.00 -0.52 2.47 -1.26 -5.05 119.74 115.23 3gdf s LYS 32 Ca 0.00 0.45 0.00 0.00 -1.56 0.00 0.00 55.97 54.86 3gdf s LYS 32 Cb 0.00 0.12 0.00 0.00 -1.46 0.00 0.00 37.83 36.49 3gdf s LYS 32 CO 0.00 -1.05 0.00 0.41 0.16 0.00 0.00 175.35 174.87 3gdf n GLY 33 N 5.40 0.04 0.28 5.54 0.00 -1.26 -4.81 105.19 110.38 3gdf n GLY 33 Ca 0.04 -1.03 -0.06 0.00 0.00 0.00 0.00 46.02 44.97 3gdf n GLY 33 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3gdf h MET 34 N 0.00 0.81 -0.36 1.61 2.86 -1.95 -2.37 114.93 115.54 3gdf h MET 34 Ca 0.00 -0.27 -0.11 0.00 -2.06 0.00 0.00 59.70 57.26 3gdf h MET 34 Cb 0.00 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3gdf h MET 34 CO 0.00 0.88 -0.21 0.78 1.06 0.00 0.00 176.91 179.42 3gdf h GLY 35 N 0.97 0.84 1.81 8.32 0.00 -1.95 -2.14 103.07 110.93 3gdf h GLY 35 Ca 0.12 -0.78 -0.10 0.00 0.00 0.00 0.00 47.33 46.57 3gdf h GLY 35 CO 0.04 0.71 -0.41 1.19 0.00 0.00 0.00 176.54 178.07 3gdf h ILE 36 N 0.56 1.31 -0.39 2.60 6.09 -1.81 -1.59 117.51 124.27 3gdf h ILE 36 Ca 0.07 -1.50 -0.16 0.00 -1.37 0.00 0.00 64.86 61.91 3gdf h ILE 36 Cb 0.77 1.68 -0.01 0.00 0.47 0.00 0.00 36.82 39.74 3gdf h ILE 36 CO 0.06 0.44 -0.37 -0.33 -3.07 0.00 0.00 178.15 174.88 3gdf h GLU 37 N 0.18 0.95 -0.30 2.19 4.39 -1.32 -0.43 114.58 120.24 3gdf h GLU 37 Ca 0.02 -0.49 -0.07 0.00 0.34 0.00 0.00 59.36 59.16 3gdf h GLU 37 Cb 0.80 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 3gdf h GLU 37 CO 0.06 1.15 -0.09 0.00 -1.16 0.00 0.00 179.01 178.97 3gdf h ALA 38 N 0.78 1.28 -0.32 3.43 0.00 -1.18 0.20 119.26 123.44 3gdf h ALA 38 Ca 0.06 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3gdf h ALA 38 Cb 0.97 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3gdf h ALA 38 CO 0.09 0.48 -0.12 0.00 0.00 0.00 0.00 179.25 179.71 3gdf h ALA 39 N 1.44 0.45 -0.38 0.00 0.00 -0.98 -1.67 119.26 118.11 3gdf h ALA 39 Ca 0.09 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3gdf h ALA 39 Cb 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3gdf h ALA 39 CO 0.02 0.32 -0.01 0.00 0.00 0.00 0.00 179.25 179.58 3gdf h ARG 40 N 0.41 0.68 0.03 0.00 3.08 -0.75 -1.08 114.38 116.77 3gdf h ARG 40 Ca 0.08 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3gdf h ARG 40 Cb 0.63 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 3gdf h ARG 40 CO 0.04 0.78 -0.02 0.78 -1.07 0.00 0.00 179.97 180.48 3gdf h GLY 41 N 0.50 -0.05 1.22 0.04 0.00 -0.92 0.92 103.07 104.78 3gdf h GLY 41 Ca 0.11 0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.41 3gdf h GLY 41 CO 0.02 -0.03 0.18 0.00 0.00 0.00 0.00 176.54 176.71 3gdf h ALA 43 N 1.25 0.98 -0.01 0.00 0.00 -0.86 -1.23 119.26 119.39 3gdf h ALA 43 Ca 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gdf h ALA 43 Cb 0.30 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gdf h ALA 43 CO -0.00 0.56 0.01 1.49 0.00 0.00 0.00 179.25 181.31 3gdf h GLU 44 N 1.07 0.00 -0.77 0.00 4.81 -0.40 0.35 114.58 119.65 3gdf h GLU 44 Ca 0.26 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.43 3gdf h GLU 44 Cb 0.16 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 3gdf h GLU 44 CO -0.03 0.00 0.08 -1.33 -0.73 0.00 0.00 179.01 177.00 3gdf n MET 45 N -3.52 3.27 -2.04 1.92 2.81 -0.51 -4.87 117.12 114.18 3gdf n MET 45 Ca -0.03 -2.06 -0.08 0.00 -1.81 0.00 0.00 57.70 53.73 3gdf n MET 45 Cb 0.09 -1.97 -0.01 0.00 -0.71 0.00 0.00 33.22 30.62 3gdf n MET 45 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gdf n GLY 46 N 0.24 0.15 3.87 3.03 0.00 0.11 0.23 105.19 112.83 3gdf n GLY 46 Ca 0.22 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 3gdf n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gdf s ALA 47 N -2.38 3.73 -0.28 4.61 0.00 -0.95 -3.07 121.76 123.41 3gdf s ALA 47 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 51.96 51.35 3gdf s ALA 47 Cb 0.00 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.85 3gdf s ALA 47 CO 0.00 0.58 0.66 0.00 0.00 0.00 0.00 175.76 177.00 3gdf s ALA 48 N -1.45 3.56 0.09 0.00 0.00 -1.04 -4.45 121.76 118.47 3gdf s ALA 48 Ca 0.35 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.81 3gdf s ALA 48 Cb -0.14 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 3gdf s ALA 48 CO 0.19 -0.99 0.16 0.08 0.00 0.00 0.00 175.76 175.20 3gdf s VAL 49 N 2.63 4.97 -0.31 0.00 1.01 -0.90 -1.85 120.40 125.95 3gdf s VAL 49 Ca 0.27 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 3gdf s VAL 49 Cb -0.15 -3.44 0.10 0.00 0.00 0.00 0.00 36.38 32.89 3gdf s VAL 49 CO 0.11 0.08 0.12 0.00 0.00 0.00 0.00 175.10 175.41 3gdf s ALA 50 N -1.51 1.12 0.16 5.51 0.00 -0.49 -2.78 121.76 123.77 3gdf s ALA 50 Ca 0.32 -1.46 -0.06 0.00 0.00 0.00 0.00 51.96 50.76 3gdf s ALA 50 Cb -0.12 -1.53 -0.06 0.00 0.00 0.00 0.00 23.12 21.41 3gdf s ALA 50 CO 0.25 -1.70 0.43 0.96 0.00 0.00 0.00 175.76 175.70 3gdf s ILE 51 N 1.76 5.09 0.48 0.00 -4.36 -0.98 -0.78 121.20 122.41 3gdf s ILE 51 Ca 0.10 0.19 0.04 0.00 -0.26 0.00 0.00 60.65 60.72 3gdf s ILE 51 Cb -0.17 -3.62 -0.03 0.00 1.25 0.00 0.00 42.46 39.89 3gdf s ILE 51 CO -0.28 0.02 0.08 0.42 0.24 0.00 0.00 174.94 175.42 3gdf s THR 52 N -1.69 1.57 0.10 8.37 -4.23 -0.40 -1.39 115.64 117.98 3gdf s THR 52 Ca 0.42 -1.89 -0.14 0.00 -1.18 0.00 0.00 61.69 58.90 3gdf s THR 52 Cb -0.12 -2.47 0.02 0.00 1.34 0.00 0.00 72.50 71.28 3gdf s THR 52 CO 0.23 0.00 0.34 -0.72 -0.54 0.00 0.00 174.62 173.93 3gdf s TYR 53 N -2.79 -0.10 -0.17 3.99 -0.85 0.47 -4.30 117.35 113.60 3gdf s TYR 53 Ca 0.21 -0.21 -0.14 0.00 -0.52 0.00 0.00 57.07 56.41 3gdf s TYR 53 Cb 0.03 0.15 -0.09 0.00 0.38 0.00 0.00 41.96 42.44 3gdf s TYR 53 CO 0.11 -0.63 -0.05 0.00 -1.52 0.00 0.00 175.55 173.46 3gdf n ALA 54 N -0.06 0.61 -0.53 9.51 0.00 -1.26 0.19 120.51 128.97 3gdf n ALA 54 Ca -0.16 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.80 3gdf n ALA 54 Cb 0.63 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3gdf n ALA 54 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gdf n SER 55 N -4.53 0.00 -4.76 0.00 3.41 -1.26 -4.65 113.62 101.82 3gdf n SER 55 Ca -0.18 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.05 3gdf n SER 55 Cb 0.44 -0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 64.25 3gdf n SER 55 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3gdf s ARG 56 N -0.47 4.27 0.17 4.33 0.52 -1.26 -4.98 118.95 121.54 3gdf s ARG 56 Ca 0.00 0.62 0.25 0.00 -0.52 0.00 0.00 55.73 56.08 3gdf s ARG 56 Cb 0.00 -3.35 0.64 0.00 0.52 0.00 0.00 34.95 32.75 3gdf s ARG 56 CO 0.00 0.35 1.60 0.00 0.02 0.00 0.00 175.30 177.27 3gdf n ALA 57 N 2.88 2.54 -0.33 2.13 0.00 -1.26 -4.34 120.51 122.14 3gdf n ALA 57 Ca -0.08 -0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 3gdf n ALA 57 Cb 0.51 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 3gdf n ALA 57 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3gdf h GLN 58 N 0.00 -0.09 -0.65 0.00 7.50 -1.93 0.17 115.11 120.10 3gdf h GLN 58 Ca 0.00 0.01 0.06 0.00 0.50 0.00 0.00 58.65 59.22 3gdf h GLN 58 Cb 0.73 0.02 -0.06 0.00 0.05 0.00 0.00 27.48 28.23 3gdf h GLN 58 CO 0.00 -0.06 0.35 0.78 -1.50 0.00 0.00 178.83 178.40 3gdf h GLY 59 N -0.10 0.95 0.85 3.46 0.00 -1.76 -2.72 103.07 103.75 3gdf h GLY 59 Ca 0.21 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 3gdf h GLY 59 CO -0.85 0.14 -0.03 0.00 0.00 0.00 0.00 176.54 175.80 3gdf h ALA 60 N 1.35 0.35 -0.60 3.60 0.00 -1.31 -2.33 119.26 120.30 3gdf h ALA 60 Ca 0.29 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 55.07 3gdf h ALA 60 Cb 0.20 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 17.78 3gdf h ALA 60 CO -0.19 0.11 -0.33 0.93 0.00 0.00 0.00 179.25 179.77 3gdf h GLU 61 N 0.23 -0.15 -0.15 0.00 4.39 -0.43 -0.57 114.58 117.91 3gdf h GLU 61 Ca 0.07 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 3gdf h GLU 61 Cb 0.47 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3gdf h GLU 61 CO 0.02 -0.10 -0.04 0.93 -1.16 0.00 0.00 179.01 178.66 3gdf h GLU 62 N -0.15 0.30 -1.06 2.33 5.08 -1.51 -2.66 114.58 116.90 3gdf h GLU 62 Ca 0.24 -0.12 0.28 0.00 -1.00 0.00 0.00 59.36 58.77 3gdf h GLU 62 Cb 0.55 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.67 3gdf h GLU 62 CO -0.69 0.58 0.66 -0.91 -1.00 0.00 0.00 179.01 177.65 3gdf h ASN 63 N -0.00 0.49 -0.25 1.42 -0.26 -0.75 0.44 115.58 116.67 3gdf h ASN 63 Ca 0.04 0.11 -0.06 0.00 -0.56 0.00 0.00 56.30 55.82 3gdf h ASN 63 Cb 0.47 0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.76 3gdf h ASN 63 CO 0.02 0.05 -0.10 0.58 -1.06 0.00 0.00 177.43 176.91 3gdf h VAL 64 N 0.40 1.29 -0.72 2.81 2.07 -0.95 0.18 116.25 121.34 3gdf h VAL 64 Ca 0.64 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 3gdf h VAL 64 Cb 1.56 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.82 3gdf h VAL 64 CO -0.38 0.36 0.44 0.11 0.02 0.00 0.00 177.57 178.12 3gdf h LYS 65 N 0.24 0.98 -0.14 1.57 1.57 0.01 0.14 116.57 120.93 3gdf h LYS 65 Ca 0.06 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 3gdf h LYS 65 Cb 0.59 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3gdf h LYS 65 CO 0.03 0.69 -0.44 0.93 -0.57 0.00 0.00 179.45 180.09 3gdf h GLU 66 N 0.99 0.33 -0.21 3.15 5.08 -0.24 -1.81 114.58 121.86 3gdf h GLU 66 Ca 0.26 -0.17 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 3gdf h GLU 66 Cb -0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3gdf h GLU 66 CO -0.05 0.71 -0.51 -0.07 -1.00 0.00 0.00 179.01 178.09 3gdf h LEU 67 N 0.27 0.66 0.10 1.33 3.38 0.12 -2.60 115.31 118.56 3gdf h LEU 67 Ca 0.02 -0.34 -0.26 0.00 0.09 0.00 0.00 57.88 57.39 3gdf h LEU 67 Cb 0.89 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 3gdf h LEU 67 CO 0.07 1.06 -1.19 -0.33 0.09 0.00 0.00 178.44 178.14 3gdf h GLU 68 N 0.47 0.20 -0.01 1.13 5.08 -0.63 -2.93 114.58 117.89 3gdf h GLU 68 Ca 0.02 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 3gdf h GLU 68 Cb 1.06 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3gdf h GLU 68 CO 0.10 1.16 -0.15 -0.22 -1.00 0.00 0.00 179.01 178.91 3gdf h LYS 69 N 0.06 0.12 0.01 2.33 3.64 -1.38 0.17 116.57 121.51 3gdf h LYS 69 Ca -0.10 -0.11 -0.20 0.00 -1.27 0.00 0.00 60.65 58.96 3gdf h LYS 69 Cb 1.92 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.76 3gdf h LYS 69 CO 0.18 0.83 -0.90 1.79 -2.27 0.00 0.00 179.45 179.08 3gdf h THR 70 N -0.54 1.52 -0.01 1.00 1.35 -1.63 -3.33 112.91 111.27 3gdf h THR 70 Ca -0.01 -2.71 0.00 0.00 -0.55 0.00 0.00 66.41 63.13 3gdf h THR 70 Cb 0.87 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 3gdf h THR 70 CO 0.03 0.79 -0.35 -1.22 -0.25 0.00 0.00 175.52 174.51 3gdf n TYR 71 N -3.62 0.00 -2.88 4.73 4.01 -1.10 -5.00 117.16 113.30 3gdf n TYR 71 Ca -0.03 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.52 3gdf n TYR 71 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.85 3gdf n TYR 71 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gdf n GLY 72 N 1.12 -0.50 3.74 2.72 0.00 0.59 -4.96 105.19 107.89 3gdf n GLY 72 Ca 0.05 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3gdf n GLY 72 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gdf s ILE 73 N -2.85 1.71 0.03 -0.61 -5.25 -1.24 -5.04 121.20 107.95 3gdf s ILE 73 Ca 0.20 -1.87 -0.22 0.00 -0.99 0.00 0.00 60.65 57.77 3gdf s ILE 73 Cb -0.10 -2.58 -0.06 0.00 2.95 0.00 0.00 42.46 42.67 3gdf s ILE 73 CO 0.24 0.00 0.66 -0.54 -1.79 0.00 0.00 174.94 173.51 3gdf s LYS 74 N -3.89 4.38 0.11 0.37 -0.14 -1.26 -4.36 119.74 114.94 3gdf s LYS 74 Ca 0.25 0.86 -0.09 0.00 -1.36 0.00 0.00 55.97 55.64 3gdf s LYS 74 Cb 0.04 -3.34 -0.00 0.00 -1.68 0.00 0.00 37.83 32.85 3gdf s LYS 74 CO 0.14 0.38 0.21 0.00 -0.76 0.00 0.00 175.35 175.31 3gdf s ALA 75 N -0.28 -0.15 -0.03 5.17 0.00 -1.26 -2.13 121.76 123.08 3gdf s ALA 75 Ca 0.33 -0.70 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 3gdf s ALA 75 Cb -0.19 0.58 0.07 0.00 0.00 0.00 0.00 23.12 23.58 3gdf s ALA 75 CO 0.20 -0.54 0.66 0.21 0.00 0.00 0.00 175.76 176.28 3gdf s LYS 76 N -3.89 1.06 -0.04 0.00 2.20 -1.12 -5.01 119.74 112.94 3gdf s LYS 76 Ca 0.08 0.18 -0.01 0.00 -0.36 0.00 0.00 55.97 55.86 3gdf s LYS 76 Cb 0.05 0.50 -0.04 0.00 -1.51 0.00 0.00 37.83 36.83 3gdf s LYS 76 CO -0.08 -0.34 0.04 0.00 -0.36 0.00 0.00 175.35 174.61 3gdf s ALA 77 N -1.40 3.44 0.05 3.13 0.00 -1.26 -2.32 121.76 123.40 3gdf s ALA 77 Ca -0.10 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.04 3gdf s ALA 77 Cb -0.00 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.57 3gdf s ALA 77 CO 0.08 0.64 -0.09 0.71 0.00 0.00 0.00 175.76 177.10 3gdf s TYR 78 N -1.04 0.82 -0.13 0.00 1.51 -0.49 -5.00 117.35 113.02 3gdf s TYR 78 Ca 0.18 -0.52 -0.19 0.00 -1.01 0.00 0.00 57.07 55.53 3gdf s TYR 78 Cb -0.12 -0.48 -0.04 0.00 -0.11 0.00 0.00 41.96 41.22 3gdf s TYR 78 CO 0.08 -0.05 0.51 0.21 -1.11 0.00 0.00 175.55 175.18 3gdf s LYS 79 N -1.81 4.32 -0.17 -0.62 2.20 -1.26 -0.39 119.74 122.00 3gdf s LYS 79 Ca -0.06 0.48 -0.09 0.00 -0.36 0.00 0.00 55.97 55.94 3gdf s LYS 79 Cb -0.09 -3.46 0.07 0.00 -1.51 0.00 0.00 37.83 32.83 3gdf s LYS 79 CO 0.00 0.08 0.41 0.00 -0.36 0.00 0.00 175.35 175.48 3gdf s GLN 81 N 1.69 2.11 0.38 0.00 -0.21 -1.26 -4.08 119.66 118.29 3gdf s GLN 81 Ca -0.08 -1.96 0.19 0.00 0.02 0.00 0.00 55.36 53.53 3gdf s GLN 81 Cb -0.09 -3.61 1.16 0.00 1.00 0.00 0.00 33.01 31.46 3gdf s GLN 81 CO -0.13 -1.09 1.69 -0.39 -2.12 0.00 0.00 175.29 173.25 3gdf h VAL 82 N 6.15 0.33 0.00 1.09 -1.51 -1.95 0.24 116.25 120.61 3gdf h VAL 82 Ca -0.11 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 3gdf h VAL 82 Cb 1.03 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.19 3gdf h VAL 82 CO 0.70 0.06 0.09 -0.90 -1.23 0.00 0.00 177.57 176.29 3gdf n ASP 83 N -4.84 0.35 -4.23 4.19 5.75 -1.26 -4.38 116.55 112.13 3gdf n ASP 83 Ca 0.31 0.62 -0.34 0.00 -0.01 0.00 0.00 54.79 55.38 3gdf n ASP 83 Cb 1.04 -0.65 -0.15 0.00 -1.03 0.00 0.00 41.12 40.34 3gdf n ASP 83 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3gdf s SER 84 N -3.57 3.75 0.10 -1.12 0.15 0.86 -4.92 113.70 108.94 3gdf s SER 84 Ca -0.02 -0.50 -0.21 0.00 0.70 0.00 0.00 55.95 55.93 3gdf s SER 84 Cb 0.04 -1.61 -0.10 0.00 -1.71 0.00 0.00 66.02 62.64 3gdf s SER 84 CO 0.12 0.01 1.68 0.22 1.20 0.00 0.00 173.24 176.47 3gdf h TYR 85 N 7.89 0.21 -0.65 3.44 3.20 -1.83 -2.35 116.97 126.88 3gdf h TYR 85 Ca -0.41 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.58 3gdf h TYR 85 Cb 1.16 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.32 3gdf h TYR 85 CO 0.53 0.23 0.44 1.05 -1.64 0.00 0.00 178.16 178.77 3gdf h GLU 86 N 0.13 0.34 -0.02 1.82 9.09 -1.95 0.28 114.58 124.27 3gdf h GLU 86 Ca 0.05 -0.02 -0.00 0.00 0.05 0.00 0.00 59.36 59.44 3gdf h GLU 86 Cb 0.09 -0.08 -0.00 0.00 -1.65 0.00 0.00 28.75 27.11 3gdf h GLU 86 CO -0.01 0.23 0.00 1.03 0.05 0.00 0.00 179.01 180.31 3gdf h SER 87 N 0.35 0.03 -0.02 3.06 0.87 -1.72 0.23 113.55 116.35 3gdf h SER 87 Ca 0.31 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3gdf h SER 87 Cb 0.74 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 3gdf h SER 87 CO -0.08 0.29 0.01 0.00 -0.53 0.00 0.00 176.83 176.51 3gdf h GLU 89 N -0.10 0.59 -0.26 0.00 4.81 -0.48 0.11 114.58 119.25 3gdf h GLU 89 Ca 0.01 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.01 3gdf h GLU 89 Cb 0.14 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3gdf h GLU 89 CO -0.00 0.39 -0.59 -0.22 -0.73 0.00 0.00 179.01 177.86 3gdf h LYS 90 N 0.61 0.85 0.07 1.92 3.64 -0.28 -2.82 116.57 120.57 3gdf h LYS 90 Ca 0.42 -0.57 0.02 0.00 -1.27 0.00 0.00 60.65 59.26 3gdf h LYS 90 Cb 0.75 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.60 3gdf h LYS 90 CO -0.18 1.20 -0.37 1.25 -2.27 0.00 0.00 179.45 179.08 3gdf h LEU 91 N 0.64 -1.09 0.03 5.20 5.85 0.14 -0.63 115.31 125.45 3gdf h LEU 91 Ca 0.00 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.88 3gdf h LEU 91 Cb 1.20 0.42 -0.05 0.00 0.37 0.00 0.00 40.66 42.60 3gdf h LEU 91 CO 0.13 -0.44 -0.30 0.58 -0.34 0.00 0.00 178.44 178.07 3gdf h VAL 92 N -0.57 0.35 -0.55 1.05 2.07 -1.33 0.99 116.25 118.25 3gdf h VAL 92 Ca 0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.65 3gdf h VAL 92 Cb 0.62 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 3gdf h VAL 92 CO -0.25 0.00 0.13 0.11 0.02 0.00 0.00 177.57 177.58 3gdf h LYS 93 N -0.46 0.26 -0.34 1.57 1.57 -1.28 0.20 116.57 118.09 3gdf h LYS 93 Ca 0.05 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 3gdf h LYS 93 Cb 0.53 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3gdf h LYS 93 CO -0.23 0.18 -0.28 -0.44 -0.57 0.00 0.00 179.45 178.11 3gdf h ASP 94 N 0.27 0.72 0.03 0.86 3.32 -0.73 -1.10 116.42 119.78 3gdf h ASP 94 Ca 0.28 -0.27 -0.21 0.00 0.02 0.00 0.00 57.03 56.85 3gdf h ASP 94 Cb 0.38 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3gdf h ASP 94 CO -0.35 0.96 -0.76 0.58 -1.72 0.00 0.00 179.24 177.95 3gdf h VAL 95 N 0.60 1.32 -0.43 -1.35 2.07 -0.19 -2.41 116.25 115.86 3gdf h VAL 95 Ca 0.08 -2.05 -0.10 0.00 0.82 0.00 0.00 66.70 65.45 3gdf h VAL 95 Cb 0.78 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 3gdf h VAL 95 CO 0.06 0.64 -0.10 0.58 0.02 0.00 0.00 177.57 178.77 3gdf h VAL 96 N 0.43 1.27 0.00 2.57 2.07 -0.57 0.63 116.25 122.65 3gdf h VAL 96 Ca -0.05 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 3gdf h VAL 96 Cb 1.37 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3gdf h VAL 96 CO 0.15 0.41 -0.14 0.00 0.02 0.00 0.00 177.57 178.01 3gdf h ALA 97 N 0.86 1.08 0.00 1.67 0.00 -1.21 0.73 119.26 122.40 3gdf h ALA 97 Ca 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3gdf h ALA 97 Cb 0.63 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3gdf h ALA 97 CO 0.04 0.17 -0.54 -0.44 0.00 0.00 0.00 179.25 178.48 3gdf h ASP 98 N 0.00 0.00 0.78 0.00 3.32 -1.22 -3.40 116.42 115.91 3gdf h ASP 98 Ca -0.00 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3gdf h ASP 98 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3gdf h ASP 98 CO 0.02 0.84 -0.38 0.49 -1.72 0.00 0.00 179.24 178.48 3gdf n PHE 99 N -4.61 0.22 0.00 4.55 3.72 0.19 -4.96 117.46 116.58 3gdf n PHE 99 Ca -0.10 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 3gdf n PHE 99 Cb 0.30 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 3gdf n PHE 99 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gdf n GLY 100 N 1.44 2.62 3.61 1.37 0.00 0.25 -4.97 105.19 109.52 3gdf n GLY 100 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 3gdf n GLY 100 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gdf s GLN 101 N -0.51 0.37 -0.15 1.61 -2.07 -1.22 -4.90 119.66 112.80 3gdf s GLN 101 Ca 0.00 -0.19 -0.01 0.00 -1.82 0.00 0.00 55.36 53.34 3gdf s GLN 101 Cb 0.00 0.14 0.04 0.00 -1.09 0.00 0.00 33.01 32.10 3gdf s GLN 101 CO 0.00 -0.17 -0.01 0.42 -1.32 0.00 0.00 175.29 174.21 3gdf s ILE 102 N -2.43 0.74 -0.18 3.63 1.01 -1.26 -4.66 121.20 118.05 3gdf s ILE 102 Ca 0.13 -0.40 -0.11 0.00 0.00 0.00 0.00 60.65 60.26 3gdf s ILE 102 Cb 0.03 -1.01 -0.22 0.00 0.01 0.00 0.00 42.46 41.28 3gdf s ILE 102 CO -0.04 0.07 0.19 0.47 0.00 0.00 0.00 174.94 175.63 3gdf n ASP 103 N 5.00 2.01 -4.19 3.58 8.00 0.26 -4.87 116.55 126.35 3gdf n ASP 103 Ca -0.10 0.25 -0.16 0.00 0.71 0.00 0.00 54.79 55.50 3gdf n ASP 103 Cb 0.48 -0.85 -0.11 0.00 -0.02 0.00 0.00 41.12 40.62 3gdf n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gdf s ALA 104 N -2.49 1.23 -0.07 2.24 0.00 -0.82 -1.64 121.76 120.22 3gdf s ALA 104 Ca -0.27 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 50.48 3gdf s ALA 104 Cb 0.07 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.20 3gdf s ALA 104 CO 0.67 0.03 0.01 0.12 0.00 0.00 0.00 175.76 176.59 3gdf s PHE 105 N -2.19 0.59 -0.27 0.00 5.36 -0.31 -2.03 117.98 119.14 3gdf s PHE 105 Ca 0.05 -0.11 -0.07 0.00 -0.96 0.00 0.00 56.93 55.84 3gdf s PHE 105 Cb -0.04 -0.75 -0.01 0.00 -0.34 0.00 0.00 43.02 41.87 3gdf s PHE 105 CO 0.01 -0.30 0.07 0.42 -1.46 0.00 0.00 175.22 173.97 3gdf s ILE 106 N 1.93 4.18 -0.27 3.12 1.09 0.58 -0.95 121.20 130.87 3gdf s ILE 106 Ca 0.04 -0.36 -0.06 0.00 -1.10 0.00 0.00 60.65 59.17 3gdf s ILE 106 Cb -0.12 -3.02 -0.00 0.00 -1.06 0.00 0.00 42.46 38.25 3gdf s ILE 106 CO -0.05 0.25 0.06 0.00 -0.10 0.00 0.00 174.94 175.10 3gdf s ALA 107 N 1.58 3.05 -0.53 9.38 0.00 -0.43 -2.31 121.76 132.49 3gdf s ALA 107 Ca 0.05 -1.34 0.04 0.00 0.00 0.00 0.00 51.96 50.71 3gdf s ALA 107 Cb -0.16 -2.07 0.16 0.00 0.00 0.00 0.00 23.12 21.06 3gdf s ALA 107 CO 0.03 -0.76 0.37 1.21 0.00 0.00 0.00 175.76 176.61 3gdf s ASN 108 N 1.52 3.35 -0.38 0.00 2.47 -1.26 -0.50 114.94 120.13 3gdf s ASN 108 Ca 0.04 -3.23 -0.10 0.00 0.42 0.00 0.00 52.86 49.99 3gdf s ASN 108 Cb -0.16 -1.06 0.04 0.00 -1.45 0.00 0.00 41.25 38.62 3gdf s ASN 108 CO 0.02 -0.17 0.21 0.00 -3.72 0.00 0.00 177.10 173.44 3gdf s ALA 109 N -0.41 3.25 -0.47 1.71 0.00 -1.26 -4.23 121.76 120.34 3gdf s ALA 109 Ca 0.25 -1.82 0.06 0.00 0.00 0.00 0.00 51.96 50.45 3gdf s ALA 109 Cb -0.08 -2.57 0.21 0.00 0.00 0.00 0.00 23.12 20.68 3gdf s ALA 109 CO -0.13 -1.44 0.48 0.41 0.00 0.00 0.00 175.76 175.08 3gdf n GLY 110 N 4.96 3.00 3.66 0.00 0.00 -1.26 -4.44 105.19 111.11 3gdf n GLY 110 Ca -0.12 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 3gdf n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gdf s ALA 111 N -0.93 3.56 0.98 4.61 0.00 -1.26 -5.04 121.76 123.68 3gdf s ALA 111 Ca 0.34 -0.09 -0.14 0.00 0.00 0.00 0.00 51.96 52.07 3gdf s ALA 111 Cb 0.09 -3.19 0.18 0.00 0.00 0.00 0.00 23.12 20.20 3gdf s ALA 111 CO -0.14 -0.72 1.17 0.95 0.00 0.00 0.00 175.76 177.02 3gdf s THR 112 N 2.31 1.92 0.01 0.00 -4.23 -1.26 -4.82 115.64 109.57 3gdf s THR 112 Ca 0.35 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.93 3gdf s THR 112 Cb -0.16 -2.75 -0.03 0.00 1.34 0.00 0.00 72.50 70.90 3gdf s THR 112 CO 0.10 0.00 -0.22 0.00 -0.54 0.00 0.00 174.62 173.96 3gdf s ALA 113 N -3.35 2.38 -1.28 3.99 0.00 -1.26 -4.87 121.76 117.37 3gdf s ALA 113 Ca 0.67 -1.15 0.14 0.00 0.00 0.00 0.00 51.96 51.62 3gdf s ALA 113 Cb -0.12 -0.66 0.36 0.00 0.00 0.00 0.00 23.12 22.71 3gdf s ALA 113 CO 0.54 0.55 1.29 -0.40 0.00 0.00 0.00 175.76 177.73 3gdf n ASP 114 N 2.03 3.09 -3.34 0.00 5.75 -1.26 -4.85 116.55 117.96 3gdf n ASP 114 Ca -0.16 -1.95 -0.06 0.00 -0.01 0.00 0.00 54.79 52.60 3gdf n ASP 114 Cb 0.52 -0.27 0.01 0.00 -1.03 0.00 0.00 41.12 40.35 3gdf n ASP 114 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3gdf s SER 115 N -1.02 -0.07 1.10 -1.12 1.04 -1.23 -4.96 113.70 107.44 3gdf s SER 115 Ca 0.29 -0.80 -0.17 0.00 0.48 0.00 0.00 55.95 55.75 3gdf s SER 115 Cb 0.15 0.67 0.24 0.00 0.10 0.00 0.00 66.02 67.18 3gdf s SER 115 CO 0.20 -1.30 1.17 0.61 0.98 0.00 0.00 173.24 174.91 3gdf n GLY 116 N -0.56 -2.01 0.22 7.32 0.00 -1.25 -4.03 105.19 104.88 3gdf n GLY 116 Ca -0.06 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.24 3gdf n GLY 116 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gdf h ILE 117 N -2.12 1.31 0.08 -0.61 5.03 -1.93 -2.37 117.51 116.89 3gdf h ILE 117 Ca -0.40 -1.80 -0.22 0.00 -0.12 0.00 0.00 64.86 62.32 3gdf h ILE 117 Cb 1.15 1.76 0.02 0.00 -3.03 0.00 0.00 36.82 36.73 3gdf h ILE 117 CO 0.27 0.57 -0.91 -0.07 -0.68 0.00 0.00 178.15 177.33 3gdf h LEU 118 N 0.47 0.66 -0.94 1.44 4.07 -1.98 -3.28 115.31 115.76 3gdf h LEU 118 Ca 0.01 -0.83 -0.06 0.00 0.08 0.00 0.00 57.88 57.08 3gdf h LEU 118 Cb 1.12 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.65 3gdf h LEU 118 CO 0.11 1.42 -0.30 0.44 -1.08 0.00 0.00 178.44 179.03 3gdf h ASP 119 N -0.01 0.00 -3.53 -0.43 3.32 -1.95 -3.44 116.42 110.38 3gdf h ASP 119 Ca -0.13 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.41 3gdf h ASP 119 Cb 1.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.18 3gdf h ASP 119 CO 0.17 0.30 0.03 -0.83 -1.72 0.00 0.00 179.24 177.20 3gdf s GLY 120 N -4.32 1.90 0.87 2.75 0.00 -0.89 -4.95 107.32 102.67 3gdf s GLY 120 Ca 0.01 -0.33 -0.11 0.00 0.00 0.00 0.00 44.72 44.29 3gdf s GLY 120 CO 0.66 -0.17 1.20 -1.35 0.00 0.00 0.00 173.10 173.44 3gdf s SER 121 N -3.19 3.67 0.11 1.64 1.04 -1.26 -4.90 113.70 110.80 3gdf s SER 121 Ca 0.49 0.13 -0.14 0.00 0.48 0.00 0.00 55.95 56.91 3gdf s SER 121 Cb -0.10 -0.34 -0.09 0.00 0.10 0.00 0.00 66.02 65.59 3gdf s SER 121 CO 0.31 -2.36 1.40 0.58 0.98 0.00 0.00 173.24 174.16 3gdf h VAL 122 N -1.22 1.29 -0.69 5.02 2.07 -1.98 -3.01 116.25 117.74 3gdf h VAL 122 Ca -0.42 -1.59 0.12 0.00 0.82 0.00 0.00 66.70 65.62 3gdf h VAL 122 Cb 1.25 1.63 -0.08 0.00 -1.52 0.00 0.00 31.29 32.57 3gdf h VAL 122 CO 0.42 0.51 0.27 -0.08 0.02 0.00 0.00 177.57 178.71 3gdf h GLU 123 N 0.53 0.42 -0.63 1.57 4.81 -1.99 -0.51 114.58 118.79 3gdf h GLU 123 Ca 0.03 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 3gdf h GLU 123 Cb 1.00 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.23 3gdf h GLU 123 CO 0.09 0.28 0.34 0.00 -0.73 0.00 0.00 179.01 179.00 3gdf h ALA 124 N 1.48 0.84 0.36 2.92 0.00 -1.91 -1.16 119.26 121.79 3gdf h ALA 124 Ca 0.36 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 3gdf h ALA 124 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3gdf h ALA 124 CO -0.35 0.01 -0.17 2.35 0.00 0.00 0.00 179.25 181.08 3gdf h TRP 125 N 0.63 -0.44 -0.50 0.00 2.91 -1.04 -3.03 115.95 114.48 3gdf h TRP 125 Ca 0.28 -0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.35 3gdf h TRP 125 Cb 0.19 0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 28.95 3gdf h TRP 125 CO -0.09 -0.25 0.34 -0.91 -1.03 0.00 0.00 178.44 176.50 3gdf h ASN 126 N -0.52 0.39 -0.29 2.65 2.35 -0.95 -1.62 115.58 117.60 3gdf h ASN 126 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3gdf h ASN 126 Cb 0.39 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3gdf h ASN 126 CO 0.08 0.26 0.18 0.45 -1.65 0.00 0.00 177.43 176.75 3gdf h HIS 127 N 0.45 0.37 -0.14 1.19 3.86 -1.09 0.34 115.15 120.12 3gdf h HIS 127 Ca 0.22 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.38 3gdf h HIS 127 Cb 0.29 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 3gdf h HIS 127 CO -0.00 0.25 -0.11 0.28 0.86 0.00 0.00 177.93 179.21 3gdf h VAL 128 N 0.38 1.34 -0.74 2.45 2.07 -1.36 -2.18 116.25 118.20 3gdf h VAL 128 Ca 0.10 -1.23 -0.05 0.00 0.82 0.00 0.00 66.70 66.34 3gdf h VAL 128 Cb -0.02 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 3gdf h VAL 128 CO -0.02 0.36 0.26 0.58 0.02 0.00 0.00 177.57 178.76 3gdf h VAL 129 N -0.04 1.26 -0.55 2.57 2.07 -1.24 0.33 116.25 120.65 3gdf h VAL 129 Ca 0.03 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.58 3gdf h VAL 129 Cb 0.62 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3gdf h VAL 129 CO 0.03 0.34 -0.03 -0.61 0.02 0.00 0.00 177.57 177.32 3gdf h GLN 130 N 1.08 0.99 0.00 1.57 5.75 -0.32 -0.06 115.11 124.12 3gdf h GLN 130 Ca 0.24 -0.33 -0.00 0.00 -0.15 0.00 0.00 58.65 58.40 3gdf h GLN 130 Cb 0.27 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.74 3gdf h GLN 130 CO -0.01 1.01 -0.16 0.28 -2.65 0.00 0.00 178.83 177.30 3gdf h VAL 131 N 0.87 0.08 -0.10 2.39 2.07 -1.24 -0.30 116.25 120.02 3gdf h VAL 131 Ca 0.15 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 3gdf h VAL 131 Cb 0.58 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3gdf h VAL 131 CO 0.03 0.03 0.06 0.44 0.02 0.00 0.00 177.57 178.15 3gdf h ASP 132 N -1.00 0.13 0.00 0.57 3.45 -0.48 -2.09 116.42 117.00 3gdf h ASP 132 Ca -0.01 -0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.38 3gdf h ASP 132 Cb 0.20 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 38.93 3gdf h ASP 132 CO -0.00 0.16 0.00 -0.11 -1.57 0.00 0.00 179.24 177.72 3gdf n LEU 133 N -4.98 0.78 -0.16 1.55 7.94 -0.80 -3.82 117.00 117.52 3gdf n LEU 133 Ca -0.05 0.16 0.28 0.00 -1.11 0.00 0.00 56.01 55.29 3gdf n LEU 133 Cb 0.06 -0.28 0.72 0.00 0.53 0.00 0.00 43.42 44.46 3gdf n LEU 133 CO 0.34 -0.28 1.25 0.78 -1.11 0.00 0.00 177.39 178.37 3gdf h ASN 134 N 0.00 0.00 -0.16 1.96 2.35 -1.10 0.40 115.58 119.03 3gdf h ASN 134 Ca 0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 3gdf h ASN 134 Cb 0.00 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3gdf h ASN 134 CO 0.00 0.00 -0.16 1.23 -1.65 0.00 0.00 177.43 176.85 3gdf h GLY 135 N 0.00 0.61 0.66 2.83 0.00 -0.30 0.13 103.07 106.99 3gdf h GLY 135 Ca 0.41 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 3gdf h GLY 135 CO -0.01 0.42 -0.18 -0.84 0.00 0.00 0.00 176.54 175.93 3gdf h THR 136 N 0.51 1.40 -0.88 4.70 2.02 -0.35 -2.73 112.91 117.58 3gdf h THR 136 Ca 0.09 -1.48 0.14 0.00 0.77 0.00 0.00 66.41 65.93 3gdf h THR 136 Cb 0.57 2.15 -0.09 0.00 -1.74 0.00 0.00 68.15 69.04 3gdf h THR 136 CO 0.04 0.42 0.48 0.15 0.37 0.00 0.00 175.52 176.97 3gdf h PHE 137 N -0.18 0.84 0.01 3.16 3.57 -0.91 -1.44 116.94 121.99 3gdf h PHE 137 Ca 0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 3gdf h PHE 137 Cb 0.77 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.27 3gdf h PHE 137 CO 0.11 0.22 -0.01 0.45 -2.23 0.00 0.00 178.31 176.86 3gdf h HIS 138 N 0.68 -0.02 -0.35 0.41 3.86 -0.59 -1.48 115.15 117.67 3gdf h HIS 138 Ca 0.47 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.69 3gdf h HIS 138 Cb 0.64 0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.10 3gdf h HIS 138 CO -0.07 0.02 0.22 0.00 0.86 0.00 0.00 177.93 178.96 3gdf h ALA 140 N 1.14 0.13 0.00 0.00 0.00 -1.18 -0.87 119.26 118.48 3gdf h ALA 140 Ca 0.13 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3gdf h ALA 140 Cb -0.03 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3gdf h ALA 140 CO -0.05 -0.45 -0.18 -0.22 0.00 0.00 0.00 179.25 178.36 3gdf h LYS 141 N 0.05 0.00 0.11 0.00 3.64 -1.13 0.34 116.57 119.57 3gdf h LYS 141 Ca 0.07 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3gdf h LYS 141 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3gdf h LYS 141 CO -0.13 0.18 -0.05 0.00 -2.27 0.00 0.00 179.45 177.18 3gdf h ALA 142 N 1.82 -0.14 0.00 5.00 0.00 -0.25 -3.27 119.26 122.42 3gdf h ALA 142 Ca -0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 3gdf h ALA 142 Cb 0.40 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3gdf h ALA 142 CO 0.02 -0.29 -0.40 0.28 0.00 0.00 0.00 179.25 178.86 3gdf h VAL 143 N -0.72 0.76 -0.47 0.00 2.07 -1.12 -3.34 116.25 113.44 3gdf h VAL 143 Ca -0.01 -1.84 0.10 0.00 0.82 0.00 0.00 66.70 65.76 3gdf h VAL 143 Cb 0.54 2.20 -0.10 0.00 -1.52 0.00 0.00 31.29 32.41 3gdf h VAL 143 CO 0.02 0.40 -0.23 1.23 0.02 0.00 0.00 177.57 179.01 3gdf h GLY 144 N 3.01 0.08 1.28 2.17 0.00 -0.36 0.03 103.07 109.28 3gdf h GLY 144 Ca -0.00 0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 3gdf h GLY 144 CO 0.05 -0.21 0.42 0.45 0.00 0.00 0.00 176.54 177.25 3gdf h HIS 145 N -0.13 0.93 -0.49 5.60 3.86 -1.68 -1.02 115.15 122.22 3gdf h HIS 145 Ca 0.22 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.31 3gdf h HIS 145 Cb 0.47 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 3gdf h HIS 145 CO -0.50 0.62 -0.17 1.25 0.86 0.00 0.00 177.93 180.00 3gdf h HIS 146 N 0.97 1.09 -0.33 2.45 6.17 -1.43 -2.06 115.15 122.02 3gdf h HIS 146 Ca 0.25 -0.24 -0.10 0.00 0.71 0.00 0.00 60.37 60.99 3gdf h HIS 146 Cb -0.03 -0.26 -0.02 0.00 2.52 0.00 0.00 27.41 29.62 3gdf h HIS 146 CO 0.00 1.05 -0.20 0.74 0.71 0.00 0.00 177.93 180.23 3gdf h PHE 147 N 0.84 0.68 -0.32 5.26 0.04 -0.47 -2.53 116.94 120.44 3gdf h PHE 147 Ca 0.12 -0.14 -0.14 0.00 2.80 0.00 0.00 57.97 60.62 3gdf h PHE 147 Cb 0.73 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.70 3gdf h PHE 147 CO 0.05 0.77 -0.35 -0.22 -0.60 0.00 0.00 178.31 177.95 3gdf h LYS 148 N 0.54 0.73 0.00 1.51 3.64 -1.03 0.24 116.57 122.21 3gdf h LYS 148 Ca 0.08 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 3gdf h LYS 148 Cb 0.65 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3gdf h LYS 148 CO 0.05 0.97 -0.05 0.93 -2.27 0.00 0.00 179.45 179.07 3gdf h GLU 149 N 0.61 0.00 0.00 1.90 5.08 -1.16 -3.05 114.58 117.96 3gdf h GLU 149 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3gdf h GLU 149 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 3gdf h GLU 149 CO 0.08 0.05 -1.37 0.54 -1.00 0.00 0.00 179.01 177.31 3gdf n ARG 150 N -3.15 0.74 -1.23 2.33 1.74 -0.97 -4.98 116.66 111.14 3gdf n ARG 150 Ca 0.01 -0.09 -0.08 0.00 -0.77 0.00 0.00 57.85 56.93 3gdf n ARG 150 Cb 0.39 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.38 3gdf n ARG 150 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gdf n GLY 151 N 1.43 0.97 3.39 -0.13 0.00 0.82 -4.91 105.19 106.76 3gdf n GLY 151 Ca -0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 3gdf n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gdf s THR 152 N -2.24 0.03 0.00 2.61 2.01 -1.00 -4.65 115.64 112.40 3gdf s THR 152 Ca 0.00 -1.51 0.00 0.00 0.31 0.00 0.00 61.69 60.49 3gdf s THR 152 Cb 0.00 -2.09 0.00 0.00 0.01 0.00 0.00 72.50 70.42 3gdf s THR 152 CO 0.00 -0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.40 3gdf n GLY 153 N -0.28 4.37 2.68 4.40 0.00 -1.19 -4.46 105.19 110.71 3gdf n GLY 153 Ca -0.04 -1.14 -0.24 0.00 0.00 0.00 0.00 46.02 44.61 3gdf n GLY 153 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gdf s SER 154 N 0.00 1.95 -0.27 1.61 0.15 -0.65 -0.74 113.70 115.75 3gdf s SER 154 Ca 0.00 -0.35 -0.10 0.00 0.70 0.00 0.00 55.95 56.21 3gdf s SER 154 Cb 0.00 -0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 63.95 3gdf s SER 154 CO 0.00 -0.28 0.15 -0.22 1.20 0.00 0.00 173.24 174.08 3gdf s LEU 155 N 2.06 3.83 -0.27 3.45 2.96 0.47 -1.16 118.68 130.02 3gdf s LEU 155 Ca 0.03 -0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 53.85 3gdf s LEU 155 Cb -0.14 -2.05 0.03 0.00 0.50 0.00 0.00 46.19 44.53 3gdf s LEU 155 CO -0.06 -0.03 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.23 3gdf s VAL 156 N 1.64 3.08 -0.18 1.68 1.01 -0.13 -1.48 120.40 126.03 3gdf s VAL 156 Ca 0.07 -1.11 -0.08 0.00 0.00 0.00 0.00 61.98 60.86 3gdf s VAL 156 Cb -0.15 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 3gdf s VAL 156 CO 0.08 0.07 0.10 0.27 0.00 0.00 0.00 175.10 175.61 3gdf s ILE 157 N 1.32 5.11 -0.47 2.22 -5.25 0.13 -1.31 121.20 122.95 3gdf s ILE 157 Ca -0.01 0.08 -0.23 0.00 -0.99 0.00 0.00 60.65 59.50 3gdf s ILE 157 Cb -0.18 -3.30 0.03 0.00 2.95 0.00 0.00 42.46 41.96 3gdf s ILE 157 CO -0.02 0.48 0.77 -0.89 -1.79 0.00 0.00 174.94 173.49 3gdf s THR 158 N 0.13 4.66 0.00 8.37 2.01 0.34 -1.58 115.64 129.57 3gdf s THR 158 Ca 0.07 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.35 3gdf s THR 158 Cb -0.12 -4.33 0.00 0.00 0.01 0.00 0.00 72.50 68.06 3gdf s THR 158 CO -0.00 -0.76 0.00 0.00 -0.69 0.00 0.00 174.62 173.17 3gdf n ALA 159 N 6.71 0.00 -3.65 7.40 0.00 0.17 -4.65 120.51 126.49 3gdf n ALA 159 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 3gdf n ALA 159 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 3gdf n ALA 159 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gdf s SER 160 N -0.95 -0.01 0.35 0.00 0.15 -1.25 -4.35 113.70 107.63 3gdf s SER 160 Ca 0.00 0.01 0.25 0.00 0.70 0.00 0.00 55.95 56.91 3gdf s SER 160 Cb 0.00 0.01 1.24 0.00 -1.71 0.00 0.00 66.02 65.56 3gdf s SER 160 CO 0.00 -0.02 1.75 0.00 1.20 0.00 0.00 173.24 176.18 3gdf h MET 161 N 2.01 0.00 0.00 5.44 -0.00 -1.55 0.53 114.93 121.37 3gdf h MET 161 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 3gdf h MET 161 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.76 3gdf h MET 161 CO 0.20 0.00 0.00 0.43 -0.00 0.00 0.00 176.91 177.54 3gdf n SER 162 N -2.37 0.07 -0.18 -0.10 7.64 -1.26 -0.89 113.62 116.54 3gdf n SER 162 Ca -0.00 0.52 0.13 0.00 1.01 0.00 0.00 58.87 60.52 3gdf n SER 162 Cb 0.11 -0.53 0.40 0.00 -1.01 0.00 0.00 64.21 63.17 3gdf n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gdf n GLY 163 N -0.15 -0.79 0.39 0.23 0.00 0.19 -4.19 105.19 100.87 3gdf n GLY 163 Ca 0.03 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 3gdf n GLY 163 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gdf n HIS 164 N -0.86 0.00 -4.54 1.61 8.25 -0.07 -4.36 115.22 115.25 3gdf n HIS 164 Ca 0.11 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.31 3gdf n HIS 164 Cb 0.33 -0.55 -0.08 0.00 1.12 0.00 0.00 29.99 30.82 3gdf n HIS 164 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3gdf s ILE 165 N -2.28 0.61 -0.20 1.59 -5.25 -0.43 -5.14 121.20 110.10 3gdf s ILE 165 Ca -0.21 -2.00 -0.05 0.00 -0.99 0.00 0.00 60.65 57.40 3gdf s ILE 165 Cb 0.07 -2.30 -0.03 0.00 2.95 0.00 0.00 42.46 43.16 3gdf s ILE 165 CO 0.29 0.00 0.00 0.00 -1.79 0.00 0.00 174.94 173.44 3gdf s ALA 166 N -3.16 3.04 0.52 2.27 0.00 -1.26 -4.35 121.76 118.82 3gdf s ALA 166 Ca 0.21 -0.97 -0.22 0.00 0.00 0.00 0.00 51.96 50.98 3gdf s ALA 166 Cb 0.02 -1.76 -0.06 0.00 0.00 0.00 0.00 23.12 21.32 3gdf s ALA 166 CO 0.14 -0.11 1.32 -0.80 0.00 0.00 0.00 175.76 176.31 3gdf s ASN 167 N 0.92 5.49 0.01 0.00 -0.87 -1.26 -5.04 114.94 114.19 3gdf s ASN 167 Ca 0.01 2.68 0.01 0.00 -1.57 0.00 0.00 52.86 53.99 3gdf s ASN 167 Cb -0.14 -2.63 -0.01 0.00 -0.02 0.00 0.00 41.25 38.45 3gdf s ASN 167 CO 0.02 -1.41 -0.03 0.12 -2.57 0.00 0.00 177.10 173.23 3gdf s PHE 168 N -1.34 0.27 -1.86 2.20 2.19 -1.26 -4.25 117.98 113.92 3gdf s PHE 168 Ca 0.69 -0.21 0.28 0.00 0.33 0.00 0.00 56.93 58.02 3gdf s PHE 168 Cb -0.38 -0.17 1.04 0.00 -1.31 0.00 0.00 43.02 42.20 3gdf s PHE 168 CO 0.46 -0.06 1.74 -0.35 1.83 0.00 0.00 175.22 178.84 3gdf n PRO 169 N 2.50 0.94 -2.15 10.12 -0.04 -1.26 -4.88 135.00 140.22 3gdf n PRO 169 Ca -0.16 -0.46 -0.37 0.00 -0.04 0.00 0.00 63.50 62.47 3gdf n PRO 169 Cb 0.58 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 3gdf n PRO 169 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3gdf s GLN 170 N -2.38 3.54 -0.17 0.54 1.11 -1.26 -5.00 119.66 116.04 3gdf s GLN 170 Ca 0.30 1.85 -0.06 0.00 0.01 0.00 0.00 55.36 57.46 3gdf s GLN 170 Cb 0.20 -2.30 -0.03 0.00 -1.01 0.00 0.00 33.01 29.87 3gdf s GLN 170 CO 0.46 -0.76 0.01 -1.21 0.01 0.00 0.00 175.29 173.81 3gdf s GLU 171 N -2.85 3.81 -0.34 2.91 0.41 -1.26 -4.62 118.70 116.76 3gdf s GLU 171 Ca 0.67 -0.42 0.13 0.00 -0.41 0.00 0.00 54.97 54.94 3gdf s GLU 171 Cb -0.30 -3.07 0.42 0.00 -1.78 0.00 0.00 34.13 29.40 3gdf s GLU 171 CO 0.36 0.27 1.42 0.00 -0.49 0.00 0.00 175.26 176.82 3gdf n GLN 172 N 3.48 1.36 -0.33 1.61 10.64 -1.26 -3.53 117.38 129.35 3gdf n GLN 172 Ca -0.17 -1.75 0.22 0.00 -1.83 0.00 0.00 57.00 53.48 3gdf n GLN 172 Cb 0.52 -0.02 0.45 0.00 -0.86 0.00 0.00 30.24 30.33 3gdf n GLN 172 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 3gdf h THR 173 N 3.63 0.33 -0.95 -0.39 2.02 -1.93 0.13 112.91 115.75 3gdf h THR 173 Ca -0.35 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 3gdf h THR 173 Cb 1.29 -0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 3gdf h THR 173 CO -0.08 0.06 0.57 0.77 0.37 0.00 0.00 175.52 177.21 3gdf h SER 174 N 0.35 1.14 -0.15 4.18 4.64 -1.94 0.33 113.55 122.09 3gdf h SER 174 Ca 0.71 -0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.92 3gdf h SER 174 Cb 1.59 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3gdf h SER 174 CO -0.60 0.87 -0.07 0.22 -0.87 0.00 0.00 176.83 176.39 3gdf h TYR 175 N 1.30 0.36 -0.17 4.77 3.20 -1.15 -1.23 116.97 124.05 3gdf h TYR 175 Ca 0.34 -0.09 0.01 0.00 3.14 0.00 0.00 58.73 62.13 3gdf h TYR 175 Cb -0.05 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3gdf h TYR 175 CO 0.01 0.63 0.10 -0.91 -1.64 0.00 0.00 178.16 176.35 3gdf h ASN 176 N -0.02 0.16 -0.87 -2.11 2.35 -1.01 0.19 115.58 114.27 3gdf h ASN 176 Ca 0.03 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3gdf h ASN 176 Cb 0.54 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.83 3gdf h ASN 176 CO 0.02 0.12 0.58 0.58 -1.65 0.00 0.00 177.43 177.08 3gdf h VAL 177 N 0.21 1.21 -0.44 2.81 2.07 -0.33 0.12 116.25 121.90 3gdf h VAL 177 Ca 0.07 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 3gdf h VAL 177 Cb -0.00 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.69 3gdf h VAL 177 CO -0.03 0.21 -0.01 0.00 0.02 0.00 0.00 177.57 177.76 3gdf h ALA 178 N 1.33 0.60 -0.36 1.67 0.00 -0.75 -2.43 119.26 119.31 3gdf h ALA 178 Ca 0.33 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3gdf h ALA 178 Cb -0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3gdf h ALA 178 CO -0.08 0.40 -0.23 0.87 0.00 0.00 0.00 179.25 180.21 3gdf h LYS 179 N 0.63 0.72 -0.16 0.00 1.79 -0.56 -1.77 116.57 117.22 3gdf h LYS 179 Ca 0.12 -0.29 -0.01 0.00 -2.18 0.00 0.00 60.65 58.30 3gdf h LYS 179 Cb 0.51 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 3gdf h LYS 179 CO 0.02 0.89 0.06 0.00 -1.08 0.00 0.00 179.45 179.34 3gdf h ALA 180 N 1.11 0.20 -0.04 3.86 0.00 -0.71 -1.14 119.26 122.55 3gdf h ALA 180 Ca 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gdf h ALA 180 Cb 0.73 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3gdf h ALA 180 CO 0.06 -0.20 0.02 0.78 0.00 0.00 0.00 179.25 179.91 3gdf h GLY 181 N 0.09 0.05 1.22 0.00 0.00 -1.29 -0.64 103.07 102.49 3gdf h GLY 181 Ca 0.05 -0.02 -0.13 0.00 0.00 0.00 0.00 47.33 47.23 3gdf h GLY 181 CO -0.00 0.02 -0.23 0.00 0.00 0.00 0.00 176.54 176.32 3gdf h ILE 183 N 0.77 1.15 0.00 0.00 2.04 0.07 -2.40 117.51 119.15 3gdf h ILE 183 Ca 0.10 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 3gdf h ILE 183 Cb 0.78 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 38.27 3gdf h ILE 183 CO 0.07 0.12 -0.09 -0.74 0.00 0.00 0.00 178.15 177.51 3gdf h HIS 184 N -0.14 0.00 -0.56 1.37 2.76 -1.40 -1.72 115.15 115.47 3gdf h HIS 184 Ca 0.01 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.13 3gdf h HIS 184 Cb 0.19 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.12 3gdf h HIS 184 CO -0.01 0.09 0.14 1.98 -1.30 0.00 0.00 177.93 178.82 3gdf h MET 185 N 0.00 0.86 0.05 5.26 -1.53 -0.68 -0.53 114.93 118.36 3gdf h MET 185 Ca -0.00 -0.18 -0.00 0.00 -3.44 0.00 0.00 59.70 56.08 3gdf h MET 185 Cb 0.46 -0.13 0.00 0.00 -0.55 0.00 0.00 31.60 31.39 3gdf h MET 185 CO 0.01 0.77 -0.02 0.00 0.14 0.00 0.00 176.91 177.81 3gdf h ALA 186 N 1.32 -0.07 0.11 0.39 0.00 -0.97 -0.92 119.26 119.13 3gdf h ALA 186 Ca 0.18 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3gdf h ALA 186 Cb 0.30 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3gdf h ALA 186 CO -0.00 -0.49 -0.22 0.00 0.00 0.00 0.00 179.25 178.54 3gdf h ARG 187 N -0.17 -0.40 -0.76 0.00 3.08 -1.32 -1.22 114.38 113.59 3gdf h ARG 187 Ca -0.01 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3gdf h ARG 187 Cb 0.15 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 3gdf h ARG 187 CO 0.01 -0.27 0.41 1.03 -1.07 0.00 0.00 179.97 180.08 3gdf h SER 188 N -0.41 0.95 0.32 7.04 0.87 -1.09 -2.57 113.55 118.65 3gdf h SER 188 Ca 0.03 -0.08 -0.17 0.00 -1.23 0.00 0.00 61.79 60.34 3gdf h SER 188 Cb 0.44 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3gdf h SER 188 CO -0.13 0.77 -0.68 -0.07 -0.53 0.00 0.00 176.83 176.19 3gdf h LEU 189 N 1.06 0.38 -1.11 2.23 3.38 -1.01 -1.21 115.31 119.03 3gdf h LEU 189 Ca 0.27 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3gdf h LEU 189 Cb 0.04 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 3gdf h LEU 189 CO -0.04 0.95 0.61 0.00 0.09 0.00 0.00 178.44 180.04 3gdf h ALA 190 N 1.04 1.49 -0.00 1.53 0.00 -0.84 0.47 119.26 122.95 3gdf h ALA 190 Ca -0.02 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 3gdf h ALA 190 Cb 1.24 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3gdf h ALA 190 CO 0.11 0.37 -0.88 -0.97 0.00 0.00 0.00 179.25 177.88 3gdf h ASN 191 N 1.06 0.33 -0.32 0.00 -1.24 -1.22 -2.42 115.58 111.77 3gdf h ASN 191 Ca 0.40 -0.26 -0.16 0.00 0.71 0.00 0.00 56.30 56.99 3gdf h ASN 191 Cb 0.20 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.15 3gdf h ASN 191 CO -0.16 1.06 -0.43 -0.08 -1.29 0.00 0.00 177.43 176.54 3gdf h GLU 192 N 0.14 0.86 -0.64 6.67 4.81 0.10 -3.20 114.58 123.33 3gdf h GLU 192 Ca -0.05 -0.49 -0.10 0.00 -0.13 0.00 0.00 59.36 58.59 3gdf h GLU 192 Cb 1.51 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.87 3gdf h GLU 192 CO 0.14 1.13 0.12 0.91 -0.73 0.00 0.00 179.01 180.58 3gdf n TRP 193 N -4.09 2.21 0.33 0.92 8.01 0.15 -4.65 117.44 120.31 3gdf n TRP 193 Ca -0.04 -0.96 0.12 0.00 -1.31 0.00 0.00 57.50 55.32 3gdf n TRP 193 Cb 0.56 -0.59 0.65 0.00 -2.01 0.00 0.00 31.31 29.92 3gdf n TRP 193 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.69 176.75 3gdf h ARG 194 N 3.31 0.00 0.00 -0.99 0.11 -1.42 0.90 114.38 116.28 3gdf h ARG 194 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 3gdf h ARG 194 Cb 2.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.20 3gdf h ARG 194 CO 0.59 0.00 -0.69 -0.25 0.10 0.00 0.00 179.97 179.72 3gdf n ASP 195 N -2.78 0.61 0.00 0.08 10.43 -1.26 -4.41 116.55 119.22 3gdf n ASP 195 Ca -0.02 -0.17 0.00 0.00 2.57 0.00 0.00 54.79 57.18 3gdf n ASP 195 Cb 0.49 0.40 0.00 0.00 1.84 0.00 0.00 41.12 43.85 3gdf n ASP 195 CO 0.00 0.00 0.00 2.22 -1.07 0.00 0.00 177.20 178.35 3gdf n PHE 196 N -1.79 0.00 -3.91 1.24 -1.74 0.13 -3.77 117.46 107.62 3gdf n PHE 196 Ca 0.04 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.83 3gdf n PHE 196 Cb 0.39 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.30 3gdf n PHE 196 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3gdf s ALA 197 N -0.35 -0.11 0.02 1.98 0.00 -0.17 -2.58 121.76 120.54 3gdf s ALA 197 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 51.96 51.39 3gdf s ALA 197 Cb 0.00 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 3gdf s ALA 197 CO 0.00 -0.34 0.24 1.03 0.00 0.00 0.00 175.76 176.69 3gdf s ARG 198 N -2.74 3.52 -0.03 0.00 0.52 0.08 -4.35 118.95 115.96 3gdf s ARG 198 Ca -0.04 -0.21 0.01 0.00 -0.52 0.00 0.00 55.73 54.97 3gdf s ARG 198 Cb -0.00 -3.06 0.02 0.00 0.52 0.00 0.00 34.95 32.43 3gdf s ARG 198 CO -0.05 0.63 -0.01 0.08 0.02 0.00 0.00 175.30 175.97 3gdf s VAL 199 N -1.37 0.22 0.09 3.52 1.01 -1.26 -0.39 120.40 122.22 3gdf s VAL 199 Ca 0.30 0.02 -0.17 0.00 0.00 0.00 0.00 61.98 62.13 3gdf s VAL 199 Cb -0.13 -0.29 0.04 0.00 0.00 0.00 0.00 36.38 36.00 3gdf s VAL 199 CO 0.19 0.14 0.42 0.20 0.00 0.00 0.00 175.10 176.05 3gdf s ASN 200 N 0.79 -0.27 0.14 3.32 0.01 -0.55 0.14 114.94 118.52 3gdf s ASN 200 Ca -0.08 -0.16 0.09 0.00 -0.71 0.00 0.00 52.86 51.99 3gdf s ASN 200 Cb -0.11 0.46 -0.04 0.00 0.41 0.00 0.00 41.25 41.97 3gdf s ASN 200 CO -0.01 -0.78 -0.20 -0.94 -1.51 0.00 0.00 177.10 173.66 3gdf s SER 201 N -2.45 2.69 -0.13 -1.22 1.04 -0.65 -0.70 113.70 112.28 3gdf s SER 201 Ca -0.01 -0.78 -0.01 0.00 0.48 0.00 0.00 55.95 55.63 3gdf s SER 201 Cb 0.01 -0.16 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 3gdf s SER 201 CO -0.08 0.02 -0.11 -0.63 0.98 0.00 0.00 173.24 173.42 3gdf s ILE 202 N -1.62 3.25 -0.62 -1.02 -1.09 -0.62 -1.17 121.20 118.32 3gdf s ILE 202 Ca 0.12 -0.59 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 3gdf s ILE 202 Cb -0.08 -2.38 0.16 0.00 -1.58 0.00 0.00 42.46 38.58 3gdf s ILE 202 CO 0.06 0.52 0.41 -0.44 -1.23 0.00 0.00 174.94 174.25 3gdf s SER 203 N 0.33 4.93 0.38 3.58 0.01 -0.04 0.41 113.70 123.30 3gdf s SER 203 Ca -0.09 -3.05 -0.26 0.00 1.31 0.00 0.00 55.95 53.85 3gdf s SER 203 Cb -0.15 -1.77 -0.09 0.00 0.21 0.00 0.00 66.02 64.22 3gdf s SER 203 CO 0.05 -0.28 1.18 -2.84 0.41 0.00 0.00 173.24 171.76 3gdf s PRO 204 N -0.35 4.16 0.00 12.44 0.02 -1.26 -1.97 135.00 148.04 3gdf s PRO 204 Ca 0.18 1.89 0.00 0.00 0.02 0.00 0.00 61.00 63.09 3gdf s PRO 204 Cb -0.20 -2.78 0.00 0.00 0.02 0.00 0.00 34.50 31.53 3gdf s PRO 204 CO -0.04 -0.25 0.00 0.41 -0.33 0.00 0.00 177.00 176.80 3gdf n GLY 205 N 0.71 0.87 3.52 0.52 0.00 0.10 -2.06 105.19 108.86 3gdf n GLY 205 Ca 0.03 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 3gdf n GLY 205 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gdf s TYR 206 N 2.31 2.63 -0.24 1.61 2.02 -1.26 -4.88 117.35 119.54 3gdf s TYR 206 Ca 0.00 -0.77 -0.09 0.00 -0.37 0.00 0.00 57.07 55.84 3gdf s TYR 206 Cb 0.00 -4.54 -0.04 0.00 -0.40 0.00 0.00 41.96 36.98 3gdf s TYR 206 CO 0.00 -1.83 0.11 0.42 -1.57 0.00 0.00 175.55 172.68 3gdf s ILE 207 N 4.50 4.80 -0.50 2.71 1.09 -1.26 -0.89 121.20 131.65 3gdf s ILE 207 Ca 0.38 -0.01 -0.28 0.00 -1.10 0.00 0.00 60.65 59.63 3gdf s ILE 207 Cb -0.05 -3.24 0.02 0.00 -1.06 0.00 0.00 42.46 38.14 3gdf s ILE 207 CO -0.03 0.34 1.28 -0.62 -0.10 0.00 0.00 174.94 175.82 3gdf s ASP 208 N 1.32 6.40 0.00 3.58 2.15 0.08 -4.85 116.67 125.35 3gdf s ASP 208 Ca 0.06 0.43 0.25 0.00 0.43 0.00 0.00 52.55 53.72 3gdf s ASP 208 Cb -0.15 -2.55 0.53 0.00 -0.30 0.00 0.00 42.92 40.46 3gdf s ASP 208 CO 0.05 -1.46 1.43 0.35 -0.17 0.00 0.00 175.17 175.37 3gdf n THR 209 N 6.88 0.00 0.00 1.71 -2.24 -1.26 -4.39 114.28 114.98 3gdf n THR 209 Ca 0.12 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3gdf n THR 209 Cb 0.49 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 3gdf n THR 209 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gdf n GLY 210 N 1.34 1.62 0.16 3.38 0.00 -1.26 -4.49 105.19 105.95 3gdf n GLY 210 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.17 3gdf n GLY 210 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gdf n LEU 211 N 0.00 2.30 -0.15 0.99 4.77 -1.26 -4.74 117.00 118.91 3gdf n LEU 211 Ca 0.00 -2.20 0.28 0.00 -0.03 0.00 0.00 56.01 54.06 3gdf n LEU 211 Cb 0.00 -0.13 0.72 0.00 -2.33 0.00 0.00 43.42 41.69 3gdf n LEU 211 CO 0.00 0.58 1.26 0.77 -1.33 0.00 0.00 177.39 178.67 3gdf h SER 212 N 0.45 0.00 -0.27 -1.43 4.64 -1.95 -0.36 113.55 114.63 3gdf h SER 212 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3gdf h SER 212 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3gdf h SER 212 CO 0.01 0.00 0.18 0.44 -0.87 0.00 0.00 176.83 176.59 3gdf h ASP 213 N 0.00 0.27 -0.04 4.97 3.45 -2.02 -1.15 116.42 121.90 3gdf h ASP 213 Ca 0.41 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.85 3gdf h ASP 213 Cb 1.71 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 40.41 3gdf h ASP 213 CO -0.00 0.19 0.01 0.49 -1.57 0.00 0.00 179.24 178.36 3gdf n PHE 214 N -4.50 0.12 -4.17 4.55 3.01 -0.14 -4.76 117.46 111.56 3gdf n PHE 214 Ca 0.01 -0.25 -0.17 0.00 1.01 0.00 0.00 57.45 58.05 3gdf n PHE 214 Cb 0.11 -0.19 -0.15 0.00 -0.01 0.00 0.00 39.48 39.24 3gdf n PHE 214 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3gdf s VAL 215 N -0.72 0.47 0.22 -4.37 1.01 -0.43 -5.13 120.40 111.45 3gdf s VAL 215 Ca 0.03 -0.19 -0.32 0.00 0.00 0.00 0.00 61.98 61.50 3gdf s VAL 215 Cb 0.02 -0.44 -0.13 0.00 0.00 0.00 0.00 36.38 35.83 3gdf s VAL 215 CO 0.01 0.16 1.57 -2.65 0.00 0.00 0.00 175.10 174.19 3gdf n PRO 216 N 3.34 2.36 -0.28 2.72 -0.02 -1.26 -4.88 135.00 136.97 3gdf n PRO 216 Ca -0.18 0.84 0.09 0.00 -2.02 0.00 0.00 63.50 62.24 3gdf n PRO 216 Cb 0.55 -2.60 0.32 0.00 -0.02 0.00 0.00 33.50 31.75 3gdf n PRO 216 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3gdf h LYS 217 N 5.43 0.79 -0.57 -0.52 1.57 -1.95 -0.68 116.57 120.65 3gdf h LYS 217 Ca -0.45 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.21 3gdf h LYS 217 Cb 1.24 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 3gdf h LYS 217 CO 0.85 0.52 0.05 0.93 -0.57 0.00 0.00 179.45 181.23 3gdf h GLU 218 N 0.82 0.94 -0.31 3.15 3.07 -1.99 -1.32 114.58 118.93 3gdf h GLU 218 Ca 0.43 -0.25 -0.02 0.00 -0.50 0.00 0.00 59.36 59.02 3gdf h GLU 218 Cb 0.53 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 3gdf h GLU 218 CO -0.19 0.89 0.11 1.15 -1.40 0.00 0.00 179.01 179.57 3gdf h THR 219 N 0.87 1.19 -0.70 1.13 2.02 -1.53 -0.27 112.91 115.63 3gdf h THR 219 Ca 0.17 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 3gdf h THR 219 Cb 0.44 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 3gdf h THR 219 CO 0.02 0.21 0.36 1.56 0.37 0.00 0.00 175.52 178.03 3gdf h GLN 220 N 0.35 0.99 -0.39 6.66 4.20 -1.17 -0.47 115.11 125.27 3gdf h GLN 220 Ca 0.10 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 3gdf h GLN 220 Cb 0.21 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3gdf h GLN 220 CO -0.01 0.76 0.05 1.96 -0.67 0.00 0.00 178.83 180.92 3gdf h GLN 221 N 0.96 0.59 -0.42 1.46 4.20 -0.95 -0.26 115.11 120.70 3gdf h GLN 221 Ca 0.24 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.72 3gdf h GLN 221 Cb 0.08 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3gdf h GLN 221 CO -0.04 0.58 -0.20 1.25 -0.67 0.00 0.00 178.83 179.76 3gdf h LEU 222 N 0.57 0.83 -0.07 1.46 5.85 -0.20 -2.86 115.31 120.90 3gdf h LEU 222 Ca 0.13 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 3gdf h LEU 222 Cb 0.29 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 3gdf h LEU 222 CO 0.00 1.01 -0.04 -0.50 -0.34 0.00 0.00 178.44 178.57 3gdf h TRP 223 N 0.72 0.18 -0.85 1.25 6.55 -0.43 -3.24 115.95 120.14 3gdf h TRP 223 Ca 0.10 -0.05 0.12 0.00 0.95 0.00 0.00 58.89 60.02 3gdf h TRP 223 Cb 0.72 -0.04 -0.06 0.00 -0.86 0.00 0.00 29.16 28.92 3gdf h TRP 223 CO 0.04 0.55 0.55 0.45 -1.05 0.00 0.00 178.44 178.98 3gdf h HIS 224 N -0.24 0.79 0.00 0.49 3.86 -1.05 0.17 115.15 119.17 3gdf h HIS 224 Ca 0.01 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 3gdf h HIS 224 Cb 0.51 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 3gdf h HIS 224 CO 0.08 0.33 -0.11 0.66 0.86 0.00 0.00 177.93 179.74 3gdf h SER 225 N 0.70 0.00 0.85 2.45 4.64 -1.53 -1.74 113.55 118.93 3gdf h SER 225 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3gdf h SER 225 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3gdf h SER 225 CO -0.18 0.11 -0.66 0.24 -0.87 0.00 0.00 176.83 175.48 3gdf h MET 226 N 0.00 0.00 -4.96 4.77 2.07 -0.72 -3.44 114.93 112.65 3gdf h MET 226 Ca -0.00 0.00 -0.69 0.00 -2.07 0.00 0.00 59.70 56.94 3gdf h MET 226 Cb 0.38 0.00 -0.18 0.00 -1.87 0.00 0.00 31.60 29.93 3gdf h MET 226 CO 0.01 0.00 -0.06 0.42 1.07 0.00 0.00 176.91 178.35 3gdf s ILE 227 N -3.18 4.97 0.50 -1.22 1.01 -0.65 -4.69 121.20 117.94 3gdf s ILE 227 Ca 0.06 -0.36 0.32 0.00 0.00 0.00 0.00 60.65 60.67 3gdf s ILE 227 Cb 0.13 -4.17 0.52 0.00 0.01 0.00 0.00 42.46 38.95 3gdf s ILE 227 CO 0.73 -0.60 1.77 1.55 0.00 0.00 0.00 174.94 178.39 3gdf h PRO 228 N 8.85 0.10 -0.00 2.79 0.13 -1.80 2.33 132.00 144.40 3gdf h PRO 228 Ca -0.27 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3gdf h PRO 228 Cb 1.10 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3gdf h PRO 228 CO 0.88 0.07 -0.00 -1.33 -0.23 0.00 0.00 178.00 177.38 3gdf n MET 229 N -4.32 0.52 -3.96 0.86 2.81 -1.03 -4.93 117.12 107.07 3gdf n MET 229 Ca 0.27 -0.01 -0.31 0.00 -1.81 0.00 0.00 57.70 55.84 3gdf n MET 229 Cb 1.21 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 32.23 3gdf n MET 229 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gdf n GLY 230 N 1.24 -0.49 3.68 3.03 0.00 0.78 -4.96 105.19 108.47 3gdf n GLY 230 Ca 0.16 0.18 -0.05 0.00 0.00 0.00 0.00 46.02 46.31 3gdf n GLY 230 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gdf s ARG 231 N -6.67 1.09 0.54 1.61 1.70 -1.26 -4.93 118.95 111.03 3gdf s ARG 231 Ca 0.68 -0.55 -0.07 0.00 -0.47 0.00 0.00 55.73 55.31 3gdf s ARG 231 Cb -0.35 0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 34.40 3gdf s ARG 231 CO 0.84 -0.49 0.88 -0.51 -1.08 0.00 0.00 175.30 174.94 3gdf s ASP 232 N -2.81 6.21 0.48 -2.89 1.01 -1.26 -4.97 116.67 112.45 3gdf s ASP 232 Ca 0.10 1.11 0.04 0.00 0.71 0.00 0.00 52.55 54.51 3gdf s ASP 232 Cb -0.01 -2.31 0.02 0.00 1.01 0.00 0.00 42.92 41.63 3gdf s ASP 232 CO -0.01 -0.71 0.67 -0.83 0.21 0.00 0.00 175.17 174.49 3gdf s GLY 233 N -4.14 1.84 -0.02 0.21 0.00 -0.06 -4.86 107.32 100.27 3gdf s GLY 233 Ca 0.51 -1.44 0.06 0.00 0.00 0.00 0.00 44.72 43.84 3gdf s GLY 233 CO 0.48 -1.22 -0.19 1.08 0.00 0.00 0.00 173.10 173.26 3gdf s LEU 234 N -4.56 2.51 0.39 0.66 1.43 -1.26 -0.74 118.68 117.11 3gdf s LEU 234 Ca 0.55 -0.32 0.17 0.00 -1.03 0.00 0.00 54.13 53.51 3gdf s LEU 234 Cb -0.10 -1.48 1.08 0.00 0.03 0.00 0.00 46.19 45.71 3gdf s LEU 234 CO 0.36 0.32 1.78 0.00 0.23 0.00 0.00 176.35 179.04 3gdf h ALA 235 N 5.25 2.19 0.00 4.21 0.00 -1.90 0.42 119.26 129.42 3gdf h ALA 235 Ca -0.46 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3gdf h ALA 235 Cb 1.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3gdf h ALA 235 CO 0.49 -0.58 0.00 0.36 0.00 0.00 0.00 179.25 179.52 3gdf n LYS 236 N -4.62 0.12 -0.22 0.00 2.85 -1.26 -0.52 118.16 114.51 3gdf n LYS 236 Ca 0.24 0.13 0.11 0.00 -1.05 0.00 0.00 58.31 57.74 3gdf n LYS 236 Cb 0.83 -1.50 0.27 0.00 -0.65 0.00 0.00 35.03 33.98 3gdf n LYS 236 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3gdf n GLU 237 N -1.16 2.31 -0.03 -1.58 1.02 0.15 -4.10 120.64 117.25 3gdf n GLU 237 Ca 0.03 -2.00 -0.02 0.00 -0.02 0.00 0.00 57.16 55.15 3gdf n GLU 237 Cb 0.03 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 29.92 3gdf n GLU 237 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gdf n LEU 238 N 1.17 0.00 -0.34 -4.62 4.32 0.32 -4.64 117.00 113.21 3gdf n LEU 238 Ca 0.19 0.00 0.20 0.00 -0.02 0.00 0.00 56.01 56.38 3gdf n LEU 238 Cb 0.51 0.13 0.43 0.00 -1.62 0.00 0.00 43.42 42.88 3gdf n LEU 238 CO 0.14 0.13 1.18 0.07 -1.22 0.00 0.00 177.39 177.69 3gdf h LYS 239 N 0.00 0.48 0.33 3.23 2.10 -1.71 -0.50 116.57 120.51 3gdf h LYS 239 Ca -0.14 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 3gdf h LYS 239 Cb 1.15 -0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 32.35 3gdf h LYS 239 CO 0.01 0.32 -0.38 0.78 -2.00 0.00 0.00 179.45 178.18 3gdf h GLY 240 N 0.50 -0.87 1.12 0.07 0.00 -1.82 0.18 103.07 102.24 3gdf h GLY 240 Ca 0.64 0.44 0.01 0.00 0.00 0.00 0.00 47.33 48.43 3gdf h GLY 240 CO -0.43 -0.30 0.58 0.00 0.00 0.00 0.00 176.54 176.39 3gdf h ALA 241 N -0.31 1.39 0.14 3.60 0.00 -1.51 0.79 119.26 123.36 3gdf h ALA 241 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3gdf h ALA 241 Cb 0.69 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3gdf h ALA 241 CO -0.10 0.56 -0.07 1.88 0.00 0.00 0.00 179.25 181.52 3gdf h TYR 242 N 1.17 -0.18 -0.64 0.00 0.99 -0.63 -2.28 116.97 115.40 3gdf h TYR 242 Ca 0.33 -0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.99 3gdf h TYR 242 Cb -0.11 0.06 -0.03 0.00 1.00 0.00 0.00 36.73 37.65 3gdf h TYR 242 CO -0.00 -0.09 0.14 0.28 -0.00 0.00 0.00 178.16 178.48 3gdf h VAL 243 N -0.21 1.25 0.00 -2.88 2.07 -0.23 -2.47 116.25 113.78 3gdf h VAL 243 Ca -0.02 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.58 3gdf h VAL 243 Cb 0.16 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 3gdf h VAL 243 CO 0.03 0.36 -0.46 0.22 0.02 0.00 0.00 177.57 177.74 3gdf h TYR 244 N 0.97 -1.33 -0.11 1.57 3.20 -0.60 0.43 116.97 121.10 3gdf h TYR 244 Ca 0.20 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.03 3gdf h TYR 244 Cb 0.37 0.58 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 3gdf h TYR 244 CO 0.03 -0.53 -0.33 0.74 -1.64 0.00 0.00 178.16 176.43 3gdf h PHE 245 N -0.62 0.24 -0.01 -3.82 0.04 -1.34 -3.16 116.94 108.28 3gdf h PHE 245 Ca 0.03 -0.05 -0.23 0.00 2.80 0.00 0.00 57.97 60.52 3gdf h PHE 245 Cb 0.69 -0.06 0.01 0.00 2.20 0.00 0.00 35.95 38.78 3gdf h PHE 245 CO -0.46 0.52 -0.95 0.00 -0.60 0.00 0.00 178.31 176.82 3gdf h ALA 246 N 1.48 0.31 -3.79 2.45 0.00 -1.19 -3.47 119.26 115.05 3gdf h ALA 246 Ca 0.02 -0.70 -0.26 0.00 0.00 0.00 0.00 54.91 53.98 3gdf h ALA 246 Cb 0.67 -0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.55 3gdf h ALA 246 CO 0.05 0.78 0.21 -1.13 0.00 0.00 0.00 179.25 179.16 3gdf n SER 247 N -3.78 0.23 -0.86 0.00 3.41 0.12 -4.82 113.62 107.91 3gdf n SER 247 Ca -0.08 -1.37 0.03 0.00 -0.26 0.00 0.00 58.87 57.19 3gdf n SER 247 Cb 0.84 -0.56 0.14 0.00 -0.26 0.00 0.00 64.21 64.38 3gdf n SER 247 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gdf n ASP 248 N -3.39 2.37 -0.22 4.04 9.92 0.38 -3.88 116.55 125.77 3gdf n ASP 248 Ca 0.10 -2.24 0.15 0.00 -0.53 0.00 0.00 54.79 52.27 3gdf n ASP 248 Cb 0.35 -0.45 0.70 0.00 -0.64 0.00 0.00 41.12 41.08 3gdf n ASP 248 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3gdf n ALA 249 N 0.26 2.66 -2.70 2.24 0.00 -1.20 -3.96 120.51 117.82 3gdf n ALA 249 Ca 0.10 -0.32 -0.07 0.00 0.00 0.00 0.00 53.44 53.15 3gdf n ALA 249 Cb 0.49 -1.33 0.03 0.00 0.00 0.00 0.00 19.45 18.64 3gdf n ALA 249 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gdf n SER 250 N -0.51 1.47 0.00 0.00 3.41 -1.25 -4.92 113.62 111.82 3gdf n SER 250 Ca 0.20 -2.56 0.08 0.00 -0.26 0.00 0.00 58.87 56.33 3gdf n SER 250 Cb 0.25 -0.52 0.48 0.00 -0.26 0.00 0.00 64.21 64.16 3gdf n SER 250 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3gdf n THR 251 N -0.18 0.19 -0.07 6.66 -2.24 -1.25 -2.36 114.28 115.03 3gdf n THR 251 Ca 0.09 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 3gdf n THR 251 Cb 0.82 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 3gdf n THR 251 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gdf n TYR 252 N -1.10 0.00 -3.55 4.78 9.36 -1.26 -4.74 117.16 120.65 3gdf n TYR 252 Ca 0.11 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 60.97 3gdf n TYR 252 Cb 0.09 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.72 3gdf n TYR 252 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 3gdf s THR 253 N -0.15 5.31 -0.19 2.97 -4.23 -1.00 -5.04 115.64 113.31 3gdf s THR 253 Ca 0.00 0.51 -0.27 0.00 -1.18 0.00 0.00 61.69 60.74 3gdf s THR 253 Cb 0.00 -3.62 0.09 0.00 1.34 0.00 0.00 72.50 70.31 3gdf s THR 253 CO 0.00 0.38 0.81 0.28 -0.54 0.00 0.00 174.62 175.55 3gdf s THR 254 N 0.56 0.00 -0.25 3.99 -1.32 -1.26 -4.72 115.64 112.64 3gdf s THR 254 Ca 0.15 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.63 3gdf s THR 254 Cb -0.13 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 3gdf s THR 254 CO 0.03 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 3gdf n GLY 255 N 1.80 0.56 3.98 6.08 0.00 0.38 -4.94 105.19 113.05 3gdf n GLY 255 Ca -0.15 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 3gdf n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gdf s ALA 256 N -1.95 4.04 -0.03 4.61 0.00 -1.25 -4.54 121.76 122.64 3gdf s ALA 256 Ca 0.00 -1.33 -0.00 0.00 0.00 0.00 0.00 51.96 50.63 3gdf s ALA 256 Cb 0.00 -1.93 0.03 0.00 0.00 0.00 0.00 23.12 21.22 3gdf s ALA 256 CO 0.00 -0.39 0.02 0.34 0.00 0.00 0.00 175.76 175.73 3gdf s ASP 257 N -4.29 0.47 -0.25 0.00 -1.08 -1.26 -1.64 116.67 108.62 3gdf s ASP 257 Ca 0.51 0.01 -0.05 0.00 -0.52 0.00 0.00 52.55 52.50 3gdf s ASP 257 Cb -0.10 -0.17 -0.01 0.00 -1.46 0.00 0.00 42.92 41.19 3gdf s ASP 257 CO 0.36 -0.14 0.01 -0.22 0.52 0.00 0.00 175.17 175.70 3gdf s LEU 258 N 1.27 3.26 -0.04 -1.34 2.96 -0.32 -4.98 118.68 119.48 3gdf s LEU 258 Ca -0.06 -0.46 -0.23 0.00 -0.22 0.00 0.00 54.13 53.15 3gdf s LEU 258 Cb -0.13 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 3gdf s LEU 258 CO -0.03 -0.07 0.69 -0.76 -1.32 0.00 0.00 176.35 174.87 3gdf s LEU 259 N 1.50 4.35 -0.46 -0.68 1.43 -1.26 -0.86 118.68 122.69 3gdf s LEU 259 Ca 0.05 1.21 0.05 0.00 -1.03 0.00 0.00 54.13 54.42 3gdf s LEU 259 Cb -0.15 -3.08 0.20 0.00 0.03 0.00 0.00 46.19 43.19 3gdf s LEU 259 CO -0.01 -0.07 0.44 -0.38 0.23 0.00 0.00 176.35 176.57 3gdf n ILE 260 N 3.52 -0.42 -1.64 -0.59 5.41 -0.83 -4.93 119.36 119.87 3gdf n ILE 260 Ca -0.02 -3.92 0.05 0.00 1.00 0.00 0.00 62.75 59.86 3gdf n ILE 260 Cb 0.51 -1.84 0.09 0.00 -0.71 0.00 0.00 39.64 37.69 3gdf n ILE 260 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3gdf n ASP 261 N 2.16 1.31 -0.96 4.38 5.68 -1.26 -0.72 116.55 127.13 3gdf n ASP 261 Ca 0.26 -2.72 -0.12 0.00 -0.50 0.00 0.00 54.79 51.71 3gdf n ASP 261 Cb 0.47 -0.35 -0.05 0.00 -1.14 0.00 0.00 41.12 40.05 3gdf n ASP 261 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gdf n GLY 262 N -0.67 1.24 0.81 6.12 0.00 -1.26 -1.80 105.19 109.63 3gdf n GLY 262 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3gdf n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdf n GLY 263 N -0.32 0.79 0.33 -0.02 0.00 -1.26 -2.48 105.19 102.23 3gdf n GLY 263 Ca -0.12 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 3gdf n GLY 263 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3gdf h TYR 264 N 0.00 -0.88 0.00 1.61 5.03 -1.63 -2.13 116.97 118.97 3gdf h TYR 264 Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 3gdf h TYR 264 Cb 0.00 0.39 0.00 0.00 1.55 0.00 0.00 36.73 38.67 3gdf h TYR 264 CO 0.00 -0.41 0.00 0.25 -1.32 0.00 0.00 178.16 176.68 3gdf n THR 265 N -5.41 0.99 0.04 1.81 -2.24 -1.26 -2.53 114.28 105.68 3gdf n THR 265 Ca -0.04 0.48 0.01 0.00 -2.27 0.00 0.00 64.05 62.23 3gdf n THR 265 Cb 0.33 -1.44 0.34 0.00 -2.10 0.00 0.00 70.33 67.45 3gdf n THR 265 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gdf h THR 266 N 0.00 1.18 -0.02 4.28 1.03 -1.80 -3.51 112.91 114.08 3gdf h THR 266 Ca 0.00 -0.73 0.00 0.00 -0.01 0.00 0.00 66.41 65.67 3gdf h THR 266 Cb 0.17 0.99 0.00 0.00 -1.07 0.00 0.00 68.15 68.24 3gdf h THR 266 CO 0.00 0.25 0.00 0.54 -0.01 0.00 0.00 175.52 176.30