#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 0.62 -1.29 3.17 -0.02 -1.26 -4.96 135.00 131.27 3gdf n PRO 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3gdf n PRO 2 Cb 0.00 -1.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 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 0.15 -4.11 3.56 -1.23 0.00 -1.23 -4.66 105.19 97.66 3gdf n GLY 3 Ca 0.00 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 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 -4.59 3.22 0.34 1.61 -0.21 -1.24 -4.98 119.66 113.81 3gdf s GLN 4 Ca 0.00 0.16 0.05 0.00 0.02 0.00 0.00 55.36 55.59 3gdf s GLN 4 Cb 0.00 -4.16 -0.01 0.00 1.00 0.00 0.00 33.01 29.84 3gdf s GLN 4 CO 0.00 -2.07 0.49 -0.65 -2.12 0.00 0.00 175.29 170.94 3gdf s GLN 5 N 5.68 3.20 0.64 2.91 -0.21 -1.26 -5.08 119.66 125.53 3gdf s GLN 5 Ca 0.46 -0.82 -0.17 0.00 0.02 0.00 0.00 55.36 54.85 3gdf s GLN 5 Cb -0.09 -2.78 -0.01 0.00 1.00 0.00 0.00 33.01 31.13 3gdf s GLN 5 CO 0.21 0.08 1.18 0.00 -2.12 0.00 0.00 175.29 174.63 3gdf s ALA 6 N -2.22 2.44 0.35 6.09 0.00 -1.26 -4.93 121.76 122.23 3gdf s ALA 6 Ca 0.43 0.85 -0.27 0.00 0.00 0.00 0.00 51.96 52.97 3gdf s ALA 6 Cb -0.10 -3.41 -0.12 0.00 0.00 0.00 0.00 23.12 19.49 3gdf s ALA 6 CO 0.32 -1.31 1.11 -2.37 0.00 0.00 0.00 175.76 173.51 3gdf n THR 7 N -2.02 2.16 0.21 0.00 5.66 -1.26 -4.86 114.28 114.17 3gdf n THR 7 Ca 0.13 -0.50 0.11 0.00 -3.05 0.00 0.00 64.05 60.74 3gdf n THR 7 Cb 0.50 -1.25 0.15 0.00 -1.55 0.00 0.00 70.33 68.18 3gdf n THR 7 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 3gdf h LYS 8 N 2.02 0.00 -6.99 1.09 2.10 -1.94 -3.46 116.57 109.39 3gdf h LYS 8 Ca -0.43 0.00 -0.45 0.00 -2.00 0.00 0.00 60.65 57.76 3gdf h LYS 8 Cb 1.32 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.63 3gdf h LYS 8 CO 0.60 0.04 0.32 -1.01 -2.00 0.00 0.00 179.45 177.40 3gdf s HIS 9 N -3.20 3.41 -0.14 0.07 3.76 -1.26 -4.98 115.29 112.95 3gdf s HIS 9 Ca 0.06 1.62 0.16 0.00 -0.15 0.00 0.00 55.06 56.75 3gdf s HIS 9 Cb 0.05 -2.84 -0.23 0.00 1.11 0.00 0.00 32.58 30.68 3gdf s HIS 9 CO 0.68 -0.02 0.14 0.39 -0.85 0.00 0.00 174.74 175.08 3gdf n GLU 10 N -0.33 1.05 -2.67 1.40 -0.58 -1.26 -4.92 120.64 113.34 3gdf n GLU 10 Ca 0.05 -0.04 -0.41 0.00 -0.42 0.00 0.00 57.16 56.34 3gdf n GLU 10 Cb 0.53 -1.44 -0.05 0.00 -0.57 0.00 0.00 31.44 29.91 3gdf n GLU 10 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3gdf s SER 11 N -4.90 7.46 0.17 1.62 0.15 -1.26 -4.96 113.70 111.98 3gdf s SER 11 Ca -0.08 1.92 -0.11 0.00 0.70 0.00 0.00 55.95 58.39 3gdf s SER 11 Cb 0.07 -2.60 0.05 0.00 -1.71 0.00 0.00 66.02 61.82 3gdf s SER 11 CO 0.72 -0.07 1.63 0.25 1.20 0.00 0.00 173.24 176.97 3gdf h LEU 12 N 5.10 0.96 -1.10 3.45 6.46 -1.99 -1.49 115.31 126.70 3gdf h LEU 12 Ca -0.44 -0.30 0.02 0.00 -0.12 0.00 0.00 57.88 57.04 3gdf h LEU 12 Cb 1.21 -0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 40.83 3gdf h LEU 12 CO 0.71 1.02 0.61 -0.07 -0.62 0.00 0.00 178.44 180.09 3gdf h LEU 13 N 0.86 1.04 -0.41 2.25 3.38 -1.98 0.27 115.31 120.73 3gdf h LEU 13 Ca 0.16 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 3gdf h LEU 13 Cb 0.52 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3gdf h LEU 13 CO 0.03 0.75 -0.11 0.44 0.09 0.00 0.00 178.44 179.64 3gdf h ASP 14 N 1.23 0.81 -0.60 -0.43 3.45 -1.89 -1.16 116.42 117.83 3gdf h ASP 14 Ca 0.35 -0.36 0.01 0.00 0.43 0.00 0.00 57.03 57.45 3gdf h ASP 14 Cb -0.10 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.41 3gdf h ASP 14 CO -0.08 0.99 0.39 1.56 -1.57 0.00 0.00 179.24 180.52 3gdf h GLN 15 N 0.62 0.77 0.00 3.56 4.20 -0.43 -2.17 115.11 121.67 3gdf h GLN 15 Ca 0.10 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3gdf h GLN 15 Cb 0.64 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 3gdf h GLN 15 CO 0.04 0.51 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.63 3gdf h LEU 16 N 0.80 0.00 -9.63 1.46 3.38 -0.40 -0.98 115.31 109.94 3gdf h LEU 16 Ca 0.22 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.67 3gdf h LEU 16 Cb -0.08 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.72 3gdf h LEU 16 CO -0.06 0.02 0.87 -0.55 0.09 0.00 0.00 178.44 178.81 3gdf s SER 17 N -5.94 6.58 -0.21 -0.43 0.15 -0.45 -4.84 113.70 108.57 3gdf s SER 17 Ca 0.04 2.64 0.14 0.00 0.70 0.00 0.00 55.95 59.47 3gdf s SER 17 Cb 0.07 -2.60 0.50 0.00 -1.71 0.00 0.00 66.02 62.29 3gdf s SER 17 CO 0.60 -0.82 1.42 0.18 1.20 0.00 0.00 173.24 175.82 3gdf n LEU 18 N 3.76 3.85 -4.75 3.45 4.77 -0.48 -4.78 117.00 122.82 3gdf n LEU 18 Ca 0.13 -3.26 -0.41 0.00 -0.03 0.00 0.00 56.01 52.44 3gdf n LEU 18 Cb 0.39 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 3gdf n LEU 18 CO 0.61 0.85 1.04 -0.54 -1.33 0.00 0.00 177.39 178.03 3gdf s LYS 19 N -2.97 4.31 0.00 3.23 1.02 -1.17 -1.32 119.74 122.84 3gdf s LYS 19 Ca 0.42 2.24 0.00 0.00 0.02 0.00 0.00 55.97 58.66 3gdf s LYS 19 Cb 0.36 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.56 3gdf s LYS 19 CO 0.06 -0.31 0.00 0.41 -0.92 0.00 0.00 175.35 174.58 3gdf n GLY 20 N 1.64 0.90 3.51 -3.33 0.00 -1.25 -4.99 105.19 101.68 3gdf n GLY 20 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.20 1.87 -0.06 1.61 1.02 -0.44 -5.03 119.74 118.52 3gdf s LYS 21 Ca 0.00 -1.14 0.03 0.00 0.02 0.00 0.00 55.97 54.88 3gdf s LYS 21 Cb 0.00 -2.16 -0.02 0.00 -0.52 0.00 0.00 37.83 35.12 3gdf s LYS 21 CO 0.00 0.49 -0.14 0.08 -0.92 0.00 0.00 175.35 174.85 3gdf s VAL 22 N -1.17 3.04 0.08 3.17 1.01 -1.26 -1.24 120.40 124.03 3gdf s VAL 22 Ca 0.19 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.49 3gdf s VAL 22 Cb -0.11 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 3gdf s VAL 22 CO 0.11 0.58 -0.12 0.54 0.00 0.00 0.00 175.10 176.21 3gdf s VAL 23 N -0.60 1.00 -0.05 2.92 0.11 0.05 -1.15 120.40 122.68 3gdf s VAL 23 Ca 0.09 -1.42 0.02 0.00 -2.93 0.00 0.00 61.98 57.74 3gdf s VAL 23 Cb -0.11 -1.14 0.01 0.00 -1.53 0.00 0.00 36.38 33.61 3gdf s VAL 23 CO 0.01 -0.37 -0.11 0.54 -3.33 0.00 0.00 175.10 171.84 3gdf s VAL 24 N -1.73 0.98 -0.11 2.04 0.11 -0.70 -1.56 120.40 119.42 3gdf s VAL 24 Ca 0.00 -0.42 0.03 0.00 -2.93 0.00 0.00 61.98 58.66 3gdf s VAL 24 Cb -0.07 -0.89 0.01 0.00 -1.53 0.00 0.00 36.38 33.90 3gdf s VAL 24 CO 0.01 0.31 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.20 3gdf s VAL 25 N 0.47 1.83 0.06 2.04 1.01 0.11 -0.93 120.40 124.98 3gdf s VAL 25 Ca -0.09 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 3gdf s VAL 25 Cb -0.13 -1.62 -0.28 0.00 0.00 0.00 0.00 36.38 34.35 3gdf s VAL 25 CO 0.02 0.51 1.07 0.71 0.00 0.00 0.00 175.10 177.41 3gdf h THR 26 N 5.83 1.41 0.53 3.92 1.35 -1.80 -1.56 112.91 122.58 3gdf h THR 26 Ca -0.27 -3.00 -0.03 0.00 -0.55 0.00 0.00 66.41 62.56 3gdf h THR 26 Cb 1.20 2.90 0.01 0.00 -1.73 0.00 0.00 68.15 70.53 3gdf h THR 26 CO 0.50 0.87 -0.25 1.23 -0.25 0.00 0.00 175.52 177.62 3gdf h GLY 27 N 1.62 -0.74 0.00 5.82 0.00 -1.82 -3.36 103.07 104.59 3gdf h GLY 27 Ca -0.16 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3gdf h GLY 27 CO 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 176.54 176.46 3gdf n ALA 28 N -2.66 0.00 -0.86 3.60 0.00 -1.26 -4.65 120.51 114.67 3gdf n ALA 28 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3gdf n ALA 28 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 3gdf n ALA 28 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gdf n SER 29 N 0.00 0.00 -2.38 0.00 3.41 -1.26 -4.14 113.62 109.24 3gdf n SER 29 Ca 0.00 -0.21 -0.12 0.00 -0.26 0.00 0.00 58.87 58.28 3gdf n SER 29 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 3gdf n SER 29 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gdf n GLY 30 N 0.00 3.42 0.18 5.00 0.00 -1.26 -3.96 105.19 108.57 3gdf n GLY 30 Ca 0.00 -1.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.10 3gdf n GLY 30 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gdf h PRO 31 N 0.00 -0.34 -1.19 1.61 0.11 -1.95 -3.42 132.00 126.82 3gdf h PRO 31 Ca -0.14 0.02 -0.47 0.00 0.11 0.00 0.00 66.00 65.52 3gdf h PRO 31 Cb 0.69 0.08 -0.41 0.00 0.11 0.00 0.00 31.00 31.47 3gdf h PRO 31 CO 0.21 -0.09 -0.97 0.36 -0.21 0.00 0.00 178.00 177.31 3gdf n LYS 32 N -5.01 2.32 -2.77 1.05 2.85 -1.26 -4.92 118.16 110.42 3gdf n LYS 32 Ca -0.06 -3.87 -0.21 0.00 -1.05 0.00 0.00 58.31 53.11 3gdf n LYS 32 Cb 0.21 -1.76 0.03 0.00 -0.65 0.00 0.00 35.03 32.85 3gdf n LYS 32 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3gdf s GLY 33 N -3.36 1.77 0.22 2.58 0.00 -1.26 -4.66 107.32 102.60 3gdf s GLY 33 Ca 0.38 -1.29 -0.09 0.00 0.00 0.00 0.00 44.72 43.72 3gdf s GLY 33 CO -0.07 -1.05 1.85 -0.33 0.00 0.00 0.00 173.10 173.51 3gdf h MET 34 N 0.21 1.14 0.47 2.90 2.86 -1.98 -2.38 114.93 118.15 3gdf h MET 34 Ca -0.43 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.07 3gdf h MET 34 Cb 1.28 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3gdf h MET 34 CO 0.53 0.81 -0.23 0.78 1.06 0.00 0.00 176.91 179.87 3gdf h GLY 35 N 1.14 -0.66 1.75 8.32 0.00 -1.95 -1.56 103.07 110.11 3gdf h GLY 35 Ca 0.30 0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.86 3gdf h GLY 35 CO -0.05 -0.24 0.11 1.19 0.00 0.00 0.00 176.54 177.55 3gdf h ILE 36 N -0.64 1.09 -0.50 2.60 2.10 -1.85 -0.32 117.51 119.99 3gdf h ILE 36 Ca -0.06 -0.26 -0.08 0.00 1.08 0.00 0.00 64.86 65.54 3gdf h ILE 36 Cb 0.49 0.78 -0.02 0.00 -1.09 0.00 0.00 36.82 36.98 3gdf h ILE 36 CO 0.11 0.10 -0.00 -0.33 -1.08 0.00 0.00 178.15 176.95 3gdf h GLU 37 N 0.34 0.89 -0.77 2.19 4.39 -1.24 0.62 114.58 121.00 3gdf h GLU 37 Ca 0.09 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 3gdf h GLU 37 Cb 0.04 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 3gdf h GLU 37 CO -0.01 0.92 0.43 0.00 -1.16 0.00 0.00 179.01 179.19 3gdf h ALA 38 N 0.94 0.99 0.63 3.43 0.00 -0.17 -1.17 119.26 123.91 3gdf h ALA 38 Ca 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3gdf h ALA 38 Cb 0.52 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3gdf h ALA 38 CO 0.03 0.49 -0.30 0.00 0.00 0.00 0.00 179.25 179.46 3gdf h ALA 39 N 1.23 -0.85 -0.49 0.00 0.00 -0.74 -2.31 119.26 116.10 3gdf h ALA 39 Ca 0.27 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.08 3gdf h ALA 39 Cb 0.02 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 18.04 3gdf h ALA 39 CO -0.05 -0.95 -0.36 0.00 0.00 0.00 0.00 179.25 177.89 3gdf h ARG 40 N -0.90 -0.22 -0.60 0.00 3.08 -0.64 0.28 114.38 115.37 3gdf h ARG 40 Ca -0.09 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.06 3gdf h ARG 40 Cb 0.67 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.70 3gdf h ARG 40 CO 0.14 -0.15 0.24 0.78 -1.07 0.00 0.00 179.97 179.91 3gdf h GLY 41 N -0.23 0.85 1.30 0.04 0.00 -1.18 0.24 103.07 104.08 3gdf h GLY 41 Ca 0.19 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.25 3gdf h GLY 41 CO -0.61 0.00 -0.31 0.00 0.00 0.00 0.00 176.54 175.62 3gdf h ALA 43 N 0.98 1.06 0.00 0.00 0.00 0.36 -1.67 119.26 119.99 3gdf h ALA 43 Ca 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3gdf h ALA 43 Cb 0.85 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3gdf h ALA 43 CO 0.07 0.49 -0.19 1.49 0.00 0.00 0.00 179.25 181.11 3gdf h GLU 44 N 1.13 0.00 -0.01 0.00 4.81 -0.32 -1.50 114.58 118.70 3gdf h GLU 44 Ca 0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3gdf h GLU 44 Cb -0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.28 3gdf h GLU 44 CO -0.06 0.19 -0.01 -1.33 -0.73 0.00 0.00 179.01 177.07 3gdf n MET 45 N -3.71 1.18 -0.67 1.92 2.81 -0.67 -4.90 117.12 113.08 3gdf n MET 45 Ca -0.01 -0.34 0.00 0.00 -1.81 0.00 0.00 57.70 55.53 3gdf n MET 45 Cb 0.30 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 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 1.09 1.16 3.90 3.03 0.00 -0.56 -1.38 105.19 112.44 3gdf n GLY 46 Ca 0.21 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.00 3.95 0.08 4.61 0.00 -0.96 -3.05 121.76 124.40 3gdf s ALA 47 Ca 0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 3gdf s ALA 47 Cb 0.00 -1.90 -0.05 0.00 0.00 0.00 0.00 23.12 21.17 3gdf s ALA 47 CO 0.00 0.75 1.07 0.00 0.00 0.00 0.00 175.76 177.58 3gdf s ALA 48 N -1.35 3.30 0.07 0.00 0.00 -0.37 -4.43 121.76 118.97 3gdf s ALA 48 Ca 0.29 0.71 0.09 0.00 0.00 0.00 0.00 51.96 53.04 3gdf s ALA 48 Cb -0.13 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 3gdf s ALA 48 CO 0.20 -0.26 -0.23 0.08 0.00 0.00 0.00 175.76 175.55 3gdf s VAL 49 N 0.56 2.47 -0.11 0.00 1.01 -0.46 -0.77 120.40 123.10 3gdf s VAL 49 Ca 0.53 -1.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 3gdf s VAL 49 Cb -0.26 -2.04 0.04 0.00 0.00 0.00 0.00 36.38 34.11 3gdf s VAL 49 CO 0.30 0.26 0.01 0.00 0.00 0.00 0.00 175.10 175.67 3gdf s ALA 50 N -0.95 0.81 0.16 5.51 0.00 -0.60 -2.51 121.76 124.18 3gdf s ALA 50 Ca 0.14 -0.30 0.07 0.00 0.00 0.00 0.00 51.96 51.87 3gdf s ALA 50 Cb -0.10 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 3gdf s ALA 50 CO 0.05 -0.65 0.01 0.96 0.00 0.00 0.00 175.76 176.13 3gdf s ILE 51 N 1.93 3.81 0.43 0.00 -0.00 -0.71 -0.71 121.20 125.95 3gdf s ILE 51 Ca 0.03 -1.34 0.06 0.00 -0.00 0.00 0.00 60.65 59.41 3gdf s ILE 51 Cb -0.14 -2.91 -0.06 0.00 -0.00 0.00 0.00 42.46 39.36 3gdf s ILE 51 CO -0.06 -0.08 0.05 0.42 -0.00 0.00 0.00 174.94 175.27 3gdf s THR 52 N -1.67 1.94 0.07 8.37 -4.23 -0.59 -1.33 115.64 118.21 3gdf s THR 52 Ca 0.27 -1.94 -0.18 0.00 -1.18 0.00 0.00 61.69 58.66 3gdf s THR 52 Cb -0.10 -2.88 0.04 0.00 1.34 0.00 0.00 72.50 70.91 3gdf s THR 52 CO 0.19 0.00 0.44 -0.72 -0.54 0.00 0.00 174.62 173.98 3gdf s TYR 53 N -2.71 -0.29 -0.12 3.99 -0.85 -0.38 -4.40 117.35 112.59 3gdf s TYR 53 Ca 0.32 0.17 0.20 0.00 -0.52 0.00 0.00 57.07 57.24 3gdf s TYR 53 Cb 0.08 0.27 -0.29 0.00 0.38 0.00 0.00 41.96 42.39 3gdf s TYR 53 CO 0.17 -0.64 0.26 0.00 -1.52 0.00 0.00 175.55 173.82 3gdf n ALA 54 N 0.23 2.12 0.00 9.51 0.00 -1.26 -0.74 120.51 130.37 3gdf n ALA 54 Ca -0.18 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.32 3gdf n ALA 54 Cb 0.61 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.51 0.00 -3.47 0.00 3.41 -1.26 -4.86 113.62 104.93 3gdf n SER 55 Ca -0.19 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.06 3gdf n SER 55 Cb 0.87 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.80 3gdf n SER 55 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gdf n ARG 56 N -0.93 2.29 -0.34 4.33 1.74 -1.26 -4.68 116.66 117.81 3gdf n ARG 56 Ca 0.00 -1.95 -0.01 0.00 -0.77 0.00 0.00 57.85 55.12 3gdf n ARG 56 Cb 0.00 -2.85 0.15 0.00 -1.02 0.00 0.00 32.46 28.74 3gdf n ARG 56 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gdf h ALA 57 N 6.60 1.34 -0.04 7.54 0.00 -1.94 -2.75 119.26 130.01 3gdf h ALA 57 Ca 0.54 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.43 3gdf h ALA 57 Cb 0.46 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3gdf h ALA 57 CO 1.77 0.60 -0.20 1.96 0.00 0.00 0.00 179.25 183.39 3gdf h GLN 58 N 1.26 -0.29 -0.70 0.00 7.50 -1.96 0.23 115.11 121.16 3gdf h GLN 58 Ca 0.35 0.02 0.03 0.00 0.50 0.00 0.00 58.65 59.55 3gdf h GLN 58 Cb -0.11 0.07 -0.04 0.00 0.05 0.00 0.00 27.48 27.44 3gdf h GLN 58 CO -0.08 -0.19 0.44 0.78 -1.50 0.00 0.00 178.83 178.27 3gdf h GLY 59 N -0.30 1.00 0.93 3.46 0.00 -1.74 -1.99 103.07 104.43 3gdf h GLY 59 Ca 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3gdf h GLY 59 CO -0.21 0.29 0.10 0.00 0.00 0.00 0.00 176.54 176.71 3gdf h ALA 60 N 1.29 0.24 -0.71 3.60 0.00 -1.19 -1.15 119.26 121.35 3gdf h ALA 60 Ca 0.28 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.22 3gdf h ALA 60 Cb 0.01 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.64 3gdf h ALA 60 CO -0.10 -0.21 0.32 0.93 0.00 0.00 0.00 179.25 180.19 3gdf h GLU 61 N 0.19 0.51 -0.36 0.00 4.39 -0.59 -0.96 114.58 117.76 3gdf h GLU 61 Ca 0.07 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.61 3gdf h GLU 61 Cb 0.09 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3gdf h GLU 61 CO -0.01 0.34 -0.29 0.93 -1.16 0.00 0.00 179.01 178.82 3gdf h GLU 62 N 0.53 0.77 -0.72 2.33 5.08 -1.12 -2.23 114.58 119.23 3gdf h GLU 62 Ca 0.36 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3gdf h GLU 62 Cb 0.44 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 3gdf h GLU 62 CO -0.31 0.97 0.45 -0.91 -1.00 0.00 0.00 179.01 178.21 3gdf h ASN 63 N 0.66 0.84 0.59 1.42 -0.26 -0.18 0.18 115.58 118.82 3gdf h ASN 63 Ca 0.08 -0.05 -0.02 0.00 -0.56 0.00 0.00 56.30 55.75 3gdf h ASN 63 Cb 0.82 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.86 3gdf h ASN 63 CO 0.07 0.64 -0.42 0.58 -1.06 0.00 0.00 177.43 177.24 3gdf h VAL 64 N 0.97 0.16 -0.39 2.81 2.07 -1.01 0.37 116.25 121.23 3gdf h VAL 64 Ca 0.26 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.86 3gdf h VAL 64 Cb -0.07 0.16 -0.09 0.00 -1.52 0.00 0.00 31.29 29.77 3gdf h VAL 64 CO -0.05 0.00 -0.28 0.50 0.02 0.00 0.00 177.57 177.76 3gdf h LYS 65 N -0.97 -0.20 -0.75 1.57 1.63 -1.00 0.09 116.57 116.94 3gdf h LYS 65 Ca -0.07 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.77 3gdf h LYS 65 Cb 0.80 0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.44 3gdf h LYS 65 CO 0.03 -0.14 0.50 0.93 -3.45 0.00 0.00 179.45 177.32 3gdf h GLU 66 N -0.21 0.94 0.52 1.90 5.08 -0.39 -1.95 114.58 120.47 3gdf h GLU 66 Ca 0.18 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3gdf h GLU 66 Cb 0.50 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.55 3gdf h GLU 66 CO -0.51 0.62 -0.25 -0.07 -1.00 0.00 0.00 179.01 177.79 3gdf h LEU 67 N 0.96 -0.60 -1.20 1.33 3.38 0.16 -2.64 115.31 116.71 3gdf h LEU 67 Ca 0.29 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.25 3gdf h LEU 67 Cb -0.03 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3gdf h LEU 67 CO -0.07 -0.34 0.55 -0.33 0.09 0.00 0.00 178.44 178.34 3gdf h GLU 68 N -0.83 1.03 -0.21 1.13 5.08 -1.01 -2.12 114.58 117.66 3gdf h GLU 68 Ca -0.07 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.08 3gdf h GLU 68 Cb 0.59 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3gdf h GLU 68 CO 0.12 0.68 -0.47 0.87 -1.00 0.00 0.00 179.01 179.21 3gdf h LYS 69 N 1.06 0.54 0.00 2.33 1.57 -1.32 0.94 116.57 121.68 3gdf h LYS 69 Ca 0.32 -0.30 -0.23 0.00 -1.87 0.00 0.00 60.65 58.56 3gdf h LYS 69 Cb -0.03 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 3gdf h LYS 69 CO -0.09 0.90 -1.72 0.25 -0.57 0.00 0.00 179.45 178.22 3gdf n THR 70 N -3.99 1.29 0.31 -0.16 -2.24 -1.00 -4.41 114.28 104.07 3gdf n THR 70 Ca -0.02 -0.74 0.07 0.00 -2.27 0.00 0.00 64.05 61.08 3gdf n THR 70 Cb 0.56 -0.74 -0.09 0.00 -2.10 0.00 0.00 70.33 67.95 3gdf n THR 70 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3gdf n TYR 71 N -2.87 0.00 -3.25 4.78 4.01 -0.81 -5.02 117.16 114.01 3gdf n TYR 71 Ca -0.16 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.42 3gdf n TYR 71 Cb 0.95 -0.16 0.06 0.00 -0.31 0.00 0.00 39.34 39.88 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 1.52 -0.18 3.45 2.72 0.00 0.32 -4.99 105.19 108.03 3gdf n GLY 72 Ca -0.00 0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.25 1.75 -0.06 -0.61 -5.25 -1.24 -5.05 121.20 107.49 3gdf s ILE 73 Ca 0.29 -2.14 -0.29 0.00 -0.99 0.00 0.00 60.65 57.52 3gdf s ILE 73 Cb -0.13 -2.47 -0.02 0.00 2.95 0.00 0.00 42.46 42.79 3gdf s ILE 73 CO 0.55 -0.29 0.95 -0.54 -1.79 0.00 0.00 174.94 173.82 3gdf s LYS 74 N -3.70 4.48 0.02 0.37 1.02 -1.26 -4.21 119.74 116.45 3gdf s LYS 74 Ca 0.30 1.32 -0.00 0.00 0.02 0.00 0.00 55.97 57.61 3gdf s LYS 74 Cb 0.03 -3.50 -0.02 0.00 -0.52 0.00 0.00 37.83 33.83 3gdf s LYS 74 CO 0.13 -0.16 -0.02 0.00 -0.92 0.00 0.00 175.35 174.38 3gdf s ALA 75 N 1.44 0.09 -0.03 5.17 0.00 -1.25 -1.36 121.76 125.82 3gdf s ALA 75 Ca 0.48 -0.51 -0.26 0.00 0.00 0.00 0.00 51.96 51.67 3gdf s ALA 75 Cb -0.19 0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.11 3gdf s ALA 75 CO 0.22 -0.15 0.56 0.21 0.00 0.00 0.00 175.76 176.61 3gdf s LYS 76 N -1.31 0.95 0.13 0.00 2.20 -1.04 -4.95 119.74 115.72 3gdf s LYS 76 Ca -0.14 0.09 0.03 0.00 -0.36 0.00 0.00 55.97 55.59 3gdf s LYS 76 Cb -0.09 0.44 -0.04 0.00 -1.51 0.00 0.00 37.83 36.64 3gdf s LYS 76 CO -0.01 -0.30 0.16 0.00 -0.36 0.00 0.00 175.35 174.85 3gdf s ALA 77 N -1.36 3.70 0.00 3.13 0.00 -1.26 -1.74 121.76 124.22 3gdf s ALA 77 Ca -0.11 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 50.71 3gdf s ALA 77 Cb -0.01 -1.52 -0.00 0.00 0.00 0.00 0.00 23.12 21.58 3gdf s ALA 77 CO 0.07 0.61 0.09 0.71 0.00 0.00 0.00 175.76 177.24 3gdf s TYR 78 N -1.63 0.08 -0.08 0.00 1.51 -0.44 -4.95 117.35 111.83 3gdf s TYR 78 Ca 0.32 -0.18 -0.21 0.00 -1.01 0.00 0.00 57.07 55.99 3gdf s TYR 78 Cb -0.11 -0.07 -0.04 0.00 -0.11 0.00 0.00 41.96 41.62 3gdf s TYR 78 CO 0.25 -0.23 0.59 0.21 -1.11 0.00 0.00 175.55 175.26 3gdf s LYS 79 N -1.18 4.37 -0.25 -0.62 2.20 -1.26 -1.25 119.74 121.75 3gdf s LYS 79 Ca -0.13 0.68 -0.11 0.00 -0.36 0.00 0.00 55.97 56.05 3gdf s LYS 79 Cb -0.07 -3.42 0.09 0.00 -1.51 0.00 0.00 37.83 32.92 3gdf s LYS 79 CO 0.01 0.16 0.57 0.00 -0.36 0.00 0.00 175.35 175.72 3gdf s GLN 81 N 2.16 2.60 0.54 0.00 -0.21 -1.26 -4.06 119.66 119.43 3gdf s GLN 81 Ca -0.07 -1.26 0.24 0.00 0.02 0.00 0.00 55.36 54.29 3gdf s GLN 81 Cb -0.09 -3.54 1.44 0.00 1.00 0.00 0.00 33.01 31.81 3gdf s GLN 81 CO -0.17 -0.74 2.07 -0.39 -2.12 0.00 0.00 175.29 173.94 3gdf h VAL 82 N 6.15 0.73 0.00 1.09 -1.51 -1.94 -1.52 116.25 119.25 3gdf h VAL 82 Ca -0.23 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 3gdf h VAL 82 Cb 1.08 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 3gdf h VAL 82 CO 0.64 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.08 3gdf n ASP 83 N -4.26 0.00 -4.15 4.19 5.75 -1.26 -4.27 116.55 112.55 3gdf n ASP 83 Ca 0.04 0.26 -0.33 0.00 -0.01 0.00 0.00 54.79 54.74 3gdf n ASP 83 Cb 0.38 -0.36 -0.15 0.00 -1.03 0.00 0.00 41.12 39.96 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 -2.71 3.51 0.31 -1.12 0.15 -0.57 -4.91 113.70 108.35 3gdf s SER 84 Ca 0.08 -0.70 0.02 0.00 0.70 0.00 0.00 55.95 56.06 3gdf s SER 84 Cb 0.07 -1.54 0.51 0.00 -1.71 0.00 0.00 66.02 63.35 3gdf s SER 84 CO 0.17 -0.03 1.85 0.22 1.20 0.00 0.00 173.24 176.65 3gdf h TYR 85 N 7.96 0.67 -0.53 3.44 3.20 -1.83 -2.05 116.97 127.82 3gdf h TYR 85 Ca -0.42 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.34 3gdf h TYR 85 Cb 1.13 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.18 3gdf h TYR 85 CO 0.51 0.62 0.17 0.93 -1.64 0.00 0.00 178.16 178.75 3gdf h GLU 86 N 0.62 0.78 -0.50 1.82 4.39 -1.94 0.63 114.58 120.38 3gdf h GLU 86 Ca 0.13 -0.13 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 3gdf h GLU 86 Cb 0.33 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3gdf h GLU 86 CO 0.01 0.67 -0.14 1.03 -1.16 0.00 0.00 179.01 179.42 3gdf h SER 87 N 0.76 0.97 0.11 1.42 0.87 -1.65 -0.97 113.55 115.07 3gdf h SER 87 Ca 0.18 -0.33 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 3gdf h SER 87 Cb 0.22 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 3gdf h SER 87 CO -0.01 1.10 -0.05 0.00 -0.53 0.00 0.00 176.83 177.34 3gdf h GLU 89 N -0.59 0.47 -0.02 0.00 4.81 0.28 0.27 114.58 119.79 3gdf h GLU 89 Ca -0.02 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.01 3gdf h GLU 89 Cb 0.47 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3gdf h GLU 89 CO 0.02 0.31 -0.75 -0.22 -0.73 0.00 0.00 179.01 177.64 3gdf h LYS 90 N 0.48 0.18 -0.08 1.92 3.64 -1.01 -2.60 116.57 119.11 3gdf h LYS 90 Ca 0.50 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3gdf h LYS 90 Cb 1.13 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3gdf h LYS 90 CO -0.22 0.85 0.04 1.25 -2.27 0.00 0.00 179.45 179.10 3gdf h LEU 91 N 0.12 0.10 0.18 5.20 5.85 0.92 -1.01 115.31 126.67 3gdf h LEU 91 Ca -0.02 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3gdf h LEU 91 Cb 1.33 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3gdf h LEU 91 CO 0.11 0.16 -0.09 0.58 -0.34 0.00 0.00 178.44 178.86 3gdf h VAL 92 N 0.03 0.83 -0.13 1.05 2.07 -1.35 -1.93 116.25 116.82 3gdf h VAL 92 Ca 0.03 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.53 3gdf h VAL 92 Cb 0.08 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3gdf h VAL 92 CO -0.00 0.01 -0.30 0.11 0.02 0.00 0.00 177.57 177.40 3gdf h LYS 93 N -0.26 -0.27 -0.52 1.57 6.56 -1.29 -0.24 116.57 122.11 3gdf h LYS 93 Ca -0.03 0.02 0.09 0.00 -1.06 0.00 0.00 60.65 59.67 3gdf h LYS 93 Cb 0.20 0.06 -0.07 0.00 -0.57 0.00 0.00 32.23 31.85 3gdf h LYS 93 CO 0.04 -0.18 0.13 -0.44 -2.06 0.00 0.00 179.45 176.94 3gdf h ASP 94 N -0.29 0.06 -0.68 0.86 3.32 -1.18 -1.12 116.42 117.40 3gdf h ASP 94 Ca 0.03 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3gdf h ASP 94 Cb 0.36 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 3gdf h ASP 94 CO -0.27 0.06 0.43 0.58 -1.72 0.00 0.00 179.24 178.31 3gdf h VAL 95 N 0.28 1.19 0.00 -1.35 2.07 -1.08 0.19 116.25 117.55 3gdf h VAL 95 Ca 0.26 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3gdf h VAL 95 Cb 0.34 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3gdf h VAL 95 CO -0.32 0.19 -0.20 0.58 0.02 0.00 0.00 177.57 177.83 3gdf h VAL 96 N 0.92 0.61 0.17 2.57 2.07 -0.50 0.58 116.25 122.68 3gdf h VAL 96 Ca 0.25 -0.94 -0.26 0.00 0.82 0.00 0.00 66.70 66.57 3gdf h VAL 96 Cb -0.07 1.61 0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3gdf h VAL 96 CO -0.05 0.20 -1.18 0.00 0.02 0.00 0.00 177.57 176.56 3gdf h ALA 97 N 1.80 -0.05 0.02 1.67 0.00 -0.29 -0.94 119.26 121.46 3gdf h ALA 97 Ca -0.00 -0.84 -0.20 0.00 0.00 0.00 0.00 54.91 53.86 3gdf h ALA 97 Cb 0.60 0.22 0.02 0.00 0.00 0.00 0.00 17.79 18.62 3gdf h ALA 97 CO 0.03 0.59 -0.79 -0.44 0.00 0.00 0.00 179.25 178.64 3gdf h ASP 98 N -0.18 0.67 0.25 0.00 3.32 -0.43 -3.35 116.42 116.70 3gdf h ASP 98 Ca -0.22 -0.77 0.00 0.00 0.02 0.00 0.00 57.03 56.06 3gdf h ASP 98 Cb 1.85 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 41.19 3gdf h ASP 98 CO 0.17 1.35 -1.08 0.49 -1.72 0.00 0.00 179.24 178.45 3gdf n PHE 99 N -4.08 0.13 0.00 4.55 3.72 0.20 -4.99 117.46 116.99 3gdf n PHE 99 Ca -0.11 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 3gdf n PHE 99 Cb 0.76 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 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 1.41 2.84 3.87 1.37 0.00 -0.36 -4.94 105.19 109.38 3gdf n GLY 100 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.21 0.81 -0.18 1.61 -2.07 -1.25 -4.92 119.66 113.45 3gdf s GLN 101 Ca 0.00 -0.51 -0.05 0.00 -1.82 0.00 0.00 55.36 52.98 3gdf s GLN 101 Cb 0.00 0.23 0.09 0.00 -1.09 0.00 0.00 33.01 32.24 3gdf s GLN 101 CO 0.00 -0.38 0.34 0.42 -1.32 0.00 0.00 175.29 174.36 3gdf s ILE 102 N -2.24 -0.54 -0.22 3.63 1.01 -1.26 -4.63 121.20 116.95 3gdf s ILE 102 Ca 0.23 0.16 -0.04 0.00 0.00 0.00 0.00 60.65 61.00 3gdf s ILE 102 Cb -0.01 -0.60 -0.19 0.00 0.01 0.00 0.00 42.46 41.67 3gdf s ILE 102 CO 0.01 0.05 -0.06 0.47 0.00 0.00 0.00 174.94 175.41 3gdf n ASP 103 N 5.37 2.01 -4.02 3.58 8.00 -0.30 -4.85 116.55 126.33 3gdf n ASP 103 Ca -0.07 0.04 -0.18 0.00 0.71 0.00 0.00 54.79 55.30 3gdf n ASP 103 Cb 0.50 -0.61 -0.14 0.00 -0.02 0.00 0.00 41.12 40.84 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 -2.52 0.71 -0.10 2.24 0.00 -1.05 -1.39 121.76 119.65 3gdf s ALA 104 Ca -0.32 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.24 3gdf s ALA 104 Cb 0.09 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.07 3gdf s ALA 104 CO 0.63 0.16 -0.09 0.12 0.00 0.00 0.00 175.76 176.59 3gdf s PHE 105 N -0.29 1.51 -0.31 0.00 5.36 -0.68 -1.72 117.98 121.84 3gdf s PHE 105 Ca 0.02 -0.72 -0.09 0.00 -0.96 0.00 0.00 56.93 55.19 3gdf s PHE 105 Cb -0.04 -1.21 0.00 0.00 -0.34 0.00 0.00 43.02 41.43 3gdf s PHE 105 CO -0.00 -0.47 0.13 0.42 -1.46 0.00 0.00 175.22 173.83 3gdf s ILE 106 N 1.47 4.33 0.16 3.12 1.01 -0.11 -0.87 121.20 130.32 3gdf s ILE 106 Ca 0.01 -0.57 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 3gdf s ILE 106 Cb -0.13 -3.24 -0.06 0.00 0.01 0.00 0.00 42.46 39.04 3gdf s ILE 106 CO -0.06 0.05 0.40 0.00 0.00 0.00 0.00 174.94 175.33 3gdf s ALA 107 N 1.56 3.77 -0.28 9.38 0.00 0.46 -2.68 121.76 133.96 3gdf s ALA 107 Ca 0.04 -0.55 -0.15 0.00 0.00 0.00 0.00 51.96 51.29 3gdf s ALA 107 Cb -0.17 -2.15 0.10 0.00 0.00 0.00 0.00 23.12 20.89 3gdf s ALA 107 CO 0.05 0.63 0.76 1.21 0.00 0.00 0.00 175.76 178.40 3gdf s ASN 108 N -2.50 -0.86 -0.24 0.00 3.84 -1.26 -1.60 114.94 112.31 3gdf s ASN 108 Ca 0.42 1.35 -0.01 0.00 0.21 0.00 0.00 52.86 54.83 3gdf s ASN 108 Cb -0.12 1.45 0.07 0.00 -0.55 0.00 0.00 41.25 42.10 3gdf s ASN 108 CO 0.25 -0.21 0.01 0.00 -2.79 0.00 0.00 177.10 174.36 3gdf s ALA 109 N 1.72 1.61 -2.48 1.71 0.00 -1.26 -4.64 121.76 118.42 3gdf s ALA 109 Ca -0.09 -1.25 0.25 0.00 0.00 0.00 0.00 51.96 50.87 3gdf s ALA 109 Cb -0.05 -1.41 0.86 0.00 0.00 0.00 0.00 23.12 22.52 3gdf s ALA 109 CO -0.19 -1.30 1.63 0.41 0.00 0.00 0.00 175.76 176.32 3gdf n GLY 110 N 4.81 0.25 3.59 0.00 0.00 -1.26 -4.76 105.19 107.82 3gdf n GLY 110 Ca -0.08 -0.47 -0.51 0.00 0.00 0.00 0.00 46.02 44.95 3gdf n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gdf n ALA 111 N 0.38 -0.84 -2.43 4.61 0.00 -1.26 -4.96 120.51 116.01 3gdf n ALA 111 Ca 0.18 0.51 -0.23 0.00 0.00 0.00 0.00 53.44 53.90 3gdf n ALA 111 Cb 0.38 -2.08 -0.11 0.00 0.00 0.00 0.00 19.45 17.64 3gdf n ALA 111 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gdf s THR 112 N 0.44 2.20 0.24 0.00 -4.23 -1.26 -4.84 115.64 108.19 3gdf s THR 112 Ca 0.83 -2.22 0.06 0.00 -1.18 0.00 0.00 61.69 59.18 3gdf s THR 112 Cb -0.93 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 70.74 3gdf s THR 112 CO 0.47 -0.37 0.29 0.00 -0.54 0.00 0.00 174.62 174.46 3gdf s ALA 113 N -2.37 3.78 -0.05 3.99 0.00 -1.26 -4.97 121.76 120.87 3gdf s ALA 113 Ca 0.24 -1.31 0.12 0.00 0.00 0.00 0.00 51.96 51.02 3gdf s ALA 113 Cb -0.05 -1.55 0.23 0.00 0.00 0.00 0.00 23.12 21.76 3gdf s ALA 113 CO 0.11 0.25 1.11 -0.40 0.00 0.00 0.00 175.76 176.82 3gdf n ASP 114 N -1.30 0.97 -3.65 0.00 5.68 -1.26 -4.90 116.55 112.08 3gdf n ASP 114 Ca -0.08 -2.47 -0.00 0.00 -0.50 0.00 0.00 54.79 51.73 3gdf n ASP 114 Cb 0.57 -0.32 -0.00 0.00 -1.14 0.00 0.00 41.12 40.23 3gdf n ASP 114 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3gdf s SER 115 N -1.95 -0.08 0.81 -1.12 1.04 -1.09 -4.93 113.70 106.38 3gdf s SER 115 Ca 0.21 -0.29 -0.05 0.00 0.48 0.00 0.00 55.95 56.30 3gdf s SER 115 Cb 0.21 0.30 0.10 0.00 0.10 0.00 0.00 66.02 66.73 3gdf s SER 115 CO -0.05 -0.57 0.60 0.61 0.98 0.00 0.00 173.24 174.80 3gdf n GLY 116 N -0.55 -0.45 0.30 7.32 0.00 -1.22 -4.12 105.19 106.47 3gdf n GLY 116 Ca -0.06 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.01 1.26 -0.15 -0.61 2.04 -1.93 -0.59 117.51 116.54 3gdf h ILE 117 Ca -0.20 -1.02 -0.10 0.00 1.00 0.00 0.00 64.86 64.55 3gdf h ILE 117 Cb 0.60 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3gdf h ILE 117 CO 0.16 0.38 -0.29 -0.07 0.00 0.00 0.00 178.15 178.33 3gdf h LEU 118 N 0.95 0.51 -0.26 1.44 4.07 -2.00 -3.31 115.31 116.72 3gdf h LEU 118 Ca 0.19 -0.55 -0.21 0.00 0.08 0.00 0.00 57.88 57.39 3gdf h LEU 118 Cb 0.44 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.03 3gdf h LEU 118 CO 0.01 0.97 -0.78 0.44 -1.08 0.00 0.00 178.44 178.01 3gdf h ASP 119 N 0.07 0.73 -4.27 -0.43 3.32 -1.94 -3.45 116.42 110.45 3gdf h ASP 119 Ca 0.01 -0.49 -0.50 0.00 0.02 0.00 0.00 57.03 56.07 3gdf h ASP 119 Cb 0.88 -0.22 0.07 0.00 0.22 0.00 0.00 39.33 40.28 3gdf h ASP 119 CO 0.06 1.26 0.38 -0.83 -1.72 0.00 0.00 179.24 178.40 3gdf s GLY 120 N -4.22 1.88 0.48 2.75 0.00 -0.23 -4.97 107.32 103.01 3gdf s GLY 120 Ca -0.08 0.18 -0.00 0.00 0.00 0.00 0.00 44.72 44.81 3gdf s GLY 120 CO 0.88 0.48 0.71 -1.35 0.00 0.00 0.00 173.10 173.81 3gdf s SER 121 N -3.40 5.76 0.33 1.64 1.04 -1.26 -4.85 113.70 112.96 3gdf s SER 121 Ca 0.60 0.31 0.05 0.00 0.48 0.00 0.00 55.95 57.38 3gdf s SER 121 Cb -0.14 -1.49 0.68 0.00 0.10 0.00 0.00 66.02 65.17 3gdf s SER 121 CO 0.45 -0.78 1.90 0.58 0.98 0.00 0.00 173.24 176.37 3gdf h VAL 122 N 0.30 0.96 -0.29 5.02 2.07 -1.97 -1.12 116.25 121.21 3gdf h VAL 122 Ca -0.46 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3gdf h VAL 122 Cb 1.26 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3gdf h VAL 122 CO 0.57 0.15 0.19 -0.33 0.02 0.00 0.00 177.57 178.18 3gdf h GLU 123 N 0.85 0.39 -0.80 1.57 5.08 -1.99 -0.44 114.58 119.24 3gdf h GLU 123 Ca 0.40 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.81 3gdf h GLU 123 Cb 0.42 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 3gdf h GLU 123 CO -0.17 0.27 0.47 0.00 -1.00 0.00 0.00 179.01 178.58 3gdf h ALA 124 N 1.10 1.10 0.93 3.43 0.00 -1.60 -0.31 119.26 123.90 3gdf h ALA 124 Ca 0.11 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3gdf h ALA 124 Cb -0.03 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.60 3gdf h ALA 124 CO -0.02 0.16 -0.45 2.35 0.00 0.00 0.00 179.25 181.30 3gdf h TRP 125 N 0.84 -1.15 -0.87 0.00 2.91 -0.91 -2.95 115.95 113.83 3gdf h TRP 125 Ca 0.36 -0.03 0.23 0.00 1.13 0.00 0.00 58.89 60.58 3gdf h TRP 125 Cb 0.23 0.38 -0.14 0.00 -0.51 0.00 0.00 29.16 29.12 3gdf h TRP 125 CO -0.05 -0.72 0.20 -0.91 -1.03 0.00 0.00 178.44 175.93 3gdf h ASN 126 N -1.26 -0.06 0.03 2.65 2.35 -0.65 -1.43 115.58 117.20 3gdf h ASN 126 Ca -0.13 0.20 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3gdf h ASN 126 Cb 0.95 0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.59 3gdf h ASN 126 CO 0.21 -0.17 -0.10 -0.74 -1.65 0.00 0.00 177.43 174.98 3gdf h HIS 127 N 0.19 -0.25 0.22 1.19 2.76 -1.01 0.94 115.15 119.19 3gdf h HIS 127 Ca 0.54 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.70 3gdf h HIS 127 Cb 1.07 0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.14 3gdf h HIS 127 CO -0.29 -0.15 -0.10 0.28 -1.30 0.00 0.00 177.93 176.36 3gdf h VAL 128 N -0.18 0.80 -0.58 5.26 2.07 -1.11 -1.65 116.25 120.86 3gdf h VAL 128 Ca 0.03 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.49 3gdf h VAL 128 Cb 0.22 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3gdf h VAL 128 CO -0.08 0.02 0.39 0.58 0.02 0.00 0.00 177.57 178.49 3gdf h VAL 129 N -0.33 1.09 -0.16 2.57 2.07 -1.25 0.19 116.25 120.42 3gdf h VAL 129 Ca -0.03 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 3gdf h VAL 129 Cb 0.26 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3gdf h VAL 129 CO 0.05 0.13 -0.21 -0.61 0.02 0.00 0.00 177.57 176.95 3gdf h GLN 130 N 0.70 0.42 0.30 1.57 5.75 -0.62 -0.84 115.11 122.39 3gdf h GLN 130 Ca 0.23 -0.24 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 3gdf h GLN 130 Cb 0.05 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.63 3gdf h GLN 130 CO -0.06 0.82 -0.14 0.28 -2.65 0.00 0.00 178.83 177.08 3gdf h VAL 131 N 0.05 0.00 0.45 2.39 2.07 -1.00 -0.56 116.25 119.65 3gdf h VAL 131 Ca 0.02 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 3gdf h VAL 131 Cb 0.77 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3gdf h VAL 131 CO 0.05 0.00 -0.22 0.44 0.02 0.00 0.00 177.57 177.86 3gdf h ASP 132 N -1.03 -0.51 0.00 0.57 3.45 -0.79 -2.47 116.42 115.64 3gdf h ASP 132 Ca -0.04 -0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.36 3gdf h ASP 132 Cb 0.31 0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.21 3gdf h ASP 132 CO 0.07 -0.25 0.00 -0.11 -1.57 0.00 0.00 179.24 177.38 3gdf n LEU 133 N -5.29 0.02 0.16 1.55 7.94 -0.59 -3.54 117.00 117.25 3gdf n LEU 133 Ca -0.11 0.54 0.13 0.00 -1.11 0.00 0.00 56.01 55.46 3gdf n LEU 133 Cb 0.29 -0.50 0.67 0.00 0.53 0.00 0.00 43.42 44.41 3gdf n LEU 133 CO 0.34 -0.50 1.12 0.78 -1.11 0.00 0.00 177.39 178.02 3gdf h ASN 134 N 0.00 0.00 -0.81 1.96 2.35 -1.17 -1.65 115.58 116.26 3gdf h ASN 134 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3gdf h ASN 134 Cb 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 3gdf h ASN 134 CO 0.00 0.00 0.41 1.23 -1.65 0.00 0.00 177.43 177.42 3gdf h GLY 135 N 0.00 1.24 1.71 2.83 0.00 -0.60 0.28 103.07 108.53 3gdf h GLY 135 Ca 0.10 -0.59 -0.14 0.00 0.00 0.00 0.00 47.33 46.69 3gdf h GLY 135 CO -0.00 0.57 -0.55 -0.84 0.00 0.00 0.00 176.54 175.71 3gdf h THR 136 N 1.14 1.36 -0.06 4.70 2.02 -1.37 -2.03 112.91 118.68 3gdf h THR 136 Ca 0.28 -1.86 -0.01 0.00 0.77 0.00 0.00 66.41 65.60 3gdf h THR 136 Cb 0.08 1.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 3gdf h THR 136 CO -0.04 0.55 0.01 0.15 0.37 0.00 0.00 175.52 176.56 3gdf h PHE 137 N 0.23 0.11 -0.27 3.16 3.57 -0.91 -1.47 116.94 121.37 3gdf h PHE 137 Ca 0.00 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.55 3gdf h PHE 137 Cb 1.05 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.70 3gdf h PHE 137 CO 0.02 0.34 -0.14 0.45 -2.23 0.00 0.00 178.31 176.75 3gdf h HIS 138 N -0.15 -0.34 0.03 0.41 3.86 -0.18 0.17 115.15 118.96 3gdf h HIS 138 Ca 0.02 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3gdf h HIS 138 Cb 0.29 0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 3gdf h HIS 138 CO 0.02 -0.21 -0.09 0.00 0.86 0.00 0.00 177.93 178.52 3gdf h ALA 140 N 0.78 0.18 -0.82 0.00 0.00 -0.78 -0.79 119.26 117.84 3gdf h ALA 140 Ca 0.02 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gdf h ALA 140 Cb 0.19 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3gdf h ALA 140 CO -0.06 -0.46 0.49 -0.22 0.00 0.00 0.00 179.25 179.00 3gdf h LYS 141 N 0.02 1.11 0.51 0.00 3.64 -0.48 0.16 116.57 121.52 3gdf h LYS 141 Ca 0.13 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3gdf h LYS 141 Cb 0.19 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3gdf h LYS 141 CO -0.26 0.78 -0.25 0.00 -2.27 0.00 0.00 179.45 177.45 3gdf h ALA 142 N 1.27 -0.69 -0.23 5.00 0.00 -0.25 -3.14 119.26 121.22 3gdf h ALA 142 Ca 0.29 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3gdf h ALA 142 Cb -0.05 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3gdf h ALA 142 CO -0.06 -0.78 -0.20 0.28 0.00 0.00 0.00 179.25 178.49 3gdf h VAL 143 N -0.90 1.24 -0.55 0.00 2.07 -1.13 -3.17 116.25 113.81 3gdf h VAL 143 Ca -0.07 -1.13 0.11 0.00 0.82 0.00 0.00 66.70 66.44 3gdf h VAL 143 Cb 0.60 1.29 -0.10 0.00 -1.52 0.00 0.00 31.29 31.57 3gdf h VAL 143 CO 0.12 0.36 -0.07 1.23 0.02 0.00 0.00 177.57 179.22 3gdf h GLY 144 N 0.97 0.48 1.01 2.17 0.00 -0.66 0.98 103.07 108.02 3gdf h GLY 144 Ca 0.06 0.13 0.08 0.00 0.00 0.00 0.00 47.33 47.61 3gdf h GLY 144 CO 0.04 -0.19 0.45 0.45 0.00 0.00 0.00 176.54 177.29 3gdf h HIS 145 N 0.05 0.62 -0.06 5.60 3.86 -1.52 0.48 115.15 124.19 3gdf h HIS 145 Ca 0.27 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.41 3gdf h HIS 145 Cb 0.43 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.70 3gdf h HIS 145 CO -0.40 0.31 -0.30 1.25 0.86 0.00 0.00 177.93 179.65 3gdf h HIS 146 N 0.60 0.41 -0.50 2.45 6.17 -1.17 -2.71 115.15 120.40 3gdf h HIS 146 Ca 0.31 -0.18 0.06 0.00 0.71 0.00 0.00 60.37 61.26 3gdf h HIS 146 Cb 0.41 -0.06 -0.05 0.00 2.52 0.00 0.00 27.41 30.23 3gdf h HIS 146 CO -0.00 0.92 0.21 0.74 0.71 0.00 0.00 177.93 180.51 3gdf h PHE 147 N -0.22 0.38 -0.56 5.26 0.04 -0.12 -1.24 116.94 120.47 3gdf h PHE 147 Ca -0.02 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.82 3gdf h PHE 147 Cb 0.96 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.96 3gdf h PHE 147 CO 0.14 0.16 0.28 -0.22 -0.60 0.00 0.00 178.31 178.07 3gdf h LYS 148 N 0.41 0.53 -0.72 1.51 3.64 -0.97 0.58 116.57 121.55 3gdf h LYS 148 Ca 0.23 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 3gdf h LYS 148 Cb 0.20 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 3gdf h LYS 148 CO -0.20 0.35 0.31 0.93 -2.27 0.00 0.00 179.45 178.56 3gdf h GLU 149 N 0.54 1.04 0.00 1.90 5.08 -1.04 -2.59 114.58 119.51 3gdf h GLU 149 Ca 0.25 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3gdf h GLU 149 Cb 0.17 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3gdf h GLU 149 CO -0.18 0.83 -0.38 0.00 -1.00 0.00 0.00 179.01 178.29 3gdf h ARG 150 N 1.03 0.00 -0.48 2.33 3.08 -0.58 -3.45 114.38 116.30 3gdf h ARG 150 Ca 0.24 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.09 3gdf h ARG 150 Cb 0.16 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.13 3gdf h ARG 150 CO -0.02 0.00 -0.19 0.41 -1.07 0.00 0.00 179.97 179.10 3gdf n GLY 151 N 1.26 1.16 3.35 0.04 0.00 0.20 -4.70 105.19 106.50 3gdf n GLY 151 Ca 0.04 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.36 0.07 0.00 2.61 2.01 -1.03 -4.37 115.64 112.57 3gdf s THR 152 Ca 0.00 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.20 3gdf s THR 152 Cb 0.00 -1.36 0.00 0.00 0.01 0.00 0.00 72.50 71.15 3gdf s THR 152 CO 0.00 -0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.22 3gdf n GLY 153 N -0.23 1.70 3.54 4.40 0.00 -1.17 -4.46 105.19 108.97 3gdf n GLY 153 Ca -0.14 -1.37 -0.01 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.09 -0.16 1.61 0.15 -0.48 -2.46 113.70 111.27 3gdf s SER 154 Ca 0.00 1.41 -0.04 0.00 0.70 0.00 0.00 55.95 58.02 3gdf s SER 154 Cb 0.00 2.19 -0.03 0.00 -1.71 0.00 0.00 66.02 66.47 3gdf s SER 154 CO 0.00 -0.23 -0.02 -0.22 1.20 0.00 0.00 173.24 173.98 3gdf s LEU 155 N 2.87 3.38 -0.18 3.45 2.96 0.16 -1.69 118.68 129.62 3gdf s LEU 155 Ca -0.02 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 3gdf s LEU 155 Cb -0.12 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.77 3gdf s LEU 155 CO -0.19 0.18 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.15 3gdf s VAL 156 N 0.28 2.00 -0.14 1.68 1.01 -0.05 -1.60 120.40 123.58 3gdf s VAL 156 Ca -0.02 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 3gdf s VAL 156 Cb -0.14 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 3gdf s VAL 156 CO 0.02 0.48 -0.04 0.27 0.00 0.00 0.00 175.10 175.84 3gdf s ILE 157 N 1.30 3.89 -0.54 2.22 -5.25 -0.42 -0.41 121.20 122.01 3gdf s ILE 157 Ca 0.04 -0.37 -0.24 0.00 -0.99 0.00 0.00 60.65 59.09 3gdf s ILE 157 Cb -0.14 -2.68 0.04 0.00 2.95 0.00 0.00 42.46 42.63 3gdf s ILE 157 CO -0.12 0.52 0.91 -0.89 -1.79 0.00 0.00 174.94 173.56 3gdf s THR 158 N 0.12 4.45 0.00 8.37 2.01 -0.63 -1.76 115.64 128.19 3gdf s THR 158 Ca -0.01 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.23 3gdf s THR 158 Cb -0.14 -4.50 0.00 0.00 0.01 0.00 0.00 72.50 67.87 3gdf s THR 158 CO 0.03 -1.06 0.00 0.00 -0.69 0.00 0.00 174.62 172.90 3gdf n ALA 159 N 7.30 0.00 -3.63 7.40 0.00 0.16 -4.57 120.51 127.18 3gdf n ALA 159 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.43 3gdf n ALA 159 Cb 0.47 0.00 -0.02 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 -1.00 -0.04 0.49 0.00 0.15 -1.25 -4.41 113.70 107.64 3gdf s SER 160 Ca 0.00 0.01 0.32 0.00 0.70 0.00 0.00 55.95 56.98 3gdf s SER 160 Cb 0.00 0.04 1.40 0.00 -1.71 0.00 0.00 66.02 65.76 3gdf s SER 160 CO 0.00 -0.07 1.96 0.00 1.20 0.00 0.00 173.24 176.33 3gdf h MET 161 N 2.01 0.00 0.00 5.44 -0.00 -0.45 -0.87 114.93 121.06 3gdf h MET 161 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 3gdf h MET 161 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.74 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 -2.85 0.00 0.08 -0.10 7.64 -1.26 -0.48 113.62 116.66 3gdf n SER 162 Ca 0.00 0.40 0.12 0.00 1.01 0.00 0.00 58.87 60.40 3gdf n SER 162 Cb 0.25 -0.44 0.20 0.00 -1.01 0.00 0.00 64.21 63.20 3gdf n SER 162 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3gdf h GLY 163 N 1.47 0.00 0.00 0.23 0.00 -1.34 -3.36 103.07 100.07 3gdf h GLY 163 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 3gdf h GLY 163 CO 0.00 0.00 -2.20 1.42 0.00 0.00 0.00 176.54 175.76 3gdf n HIS 164 N -2.24 0.00 -4.35 5.60 8.25 0.37 -4.36 115.22 118.49 3gdf n HIS 164 Ca 0.03 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.30 3gdf n HIS 164 Cb 0.45 -0.83 -0.09 0.00 1.12 0.00 0.00 29.99 30.65 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 -2.42 0.33 -0.23 1.59 -5.25 -0.33 -5.14 121.20 109.75 3gdf s ILE 165 Ca -0.23 -2.00 -0.04 0.00 -0.99 0.00 0.00 60.65 57.39 3gdf s ILE 165 Cb 0.07 -2.49 -0.01 0.00 2.95 0.00 0.00 42.46 42.97 3gdf s ILE 165 CO 0.55 0.00 -0.02 0.00 -1.79 0.00 0.00 174.94 173.68 3gdf s ALA 166 N -3.53 2.88 0.31 2.27 0.00 -1.26 -4.26 121.76 118.16 3gdf s ALA 166 Ca 0.35 -1.16 -0.29 0.00 0.00 0.00 0.00 51.96 50.86 3gdf s ALA 166 Cb 0.04 -1.77 -0.13 0.00 0.00 0.00 0.00 23.12 21.26 3gdf s ALA 166 CO 0.18 -0.44 1.25 0.09 0.00 0.00 0.00 175.76 176.84 3gdf n ASN 167 N 4.82 2.43 0.00 0.00 4.13 -1.26 -4.97 115.26 120.41 3gdf n ASN 167 Ca -0.18 1.19 -0.00 0.00 1.68 0.00 0.00 54.58 57.27 3gdf n ASN 167 Cb 0.51 -1.43 -0.00 0.00 -1.54 0.00 0.00 39.78 37.32 3gdf n ASN 167 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 3gdf h PHE 168 N 2.75 -0.00 0.00 3.10 -0.00 -2.03 -3.42 116.94 117.34 3gdf h PHE 168 Ca -0.44 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.53 3gdf h PHE 168 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.25 3gdf h PHE 168 CO 0.51 -0.00 0.00 -2.30 -0.00 0.00 0.00 178.31 176.52 3gdf n PRO 169 N -2.05 0.00 -2.12 6.41 -0.02 -1.26 -4.60 135.00 131.37 3gdf n PRO 169 Ca -0.00 0.47 -0.36 0.00 -2.02 0.00 0.00 63.50 61.59 3gdf n PRO 169 Cb 0.00 -1.15 0.02 0.00 -0.02 0.00 0.00 33.50 32.35 3gdf n PRO 169 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3gdf s GLN 170 N -1.60 3.20 -0.30 -0.52 1.11 -1.26 -5.01 119.66 115.27 3gdf s GLN 170 Ca 0.00 1.76 -0.09 0.00 0.01 0.00 0.00 55.36 57.05 3gdf s GLN 170 Cb 0.00 -2.02 -0.01 0.00 -1.01 0.00 0.00 33.01 29.97 3gdf s GLN 170 CO 0.00 -1.01 0.13 -1.21 0.01 0.00 0.00 175.29 173.21 3gdf s GLU 171 N -3.23 3.36 -0.38 2.91 0.41 -1.26 -4.63 118.70 115.88 3gdf s GLU 171 Ca 0.74 -0.70 0.12 0.00 -0.41 0.00 0.00 54.97 54.72 3gdf s GLU 171 Cb -0.28 -3.51 0.37 0.00 -1.78 0.00 0.00 34.13 28.92 3gdf s GLU 171 CO 0.32 -0.39 0.88 0.00 -0.49 0.00 0.00 175.26 175.58 3gdf n GLN 172 N 4.96 1.02 -0.30 1.61 10.64 -1.26 -2.67 117.38 131.38 3gdf n GLN 172 Ca -0.14 -2.99 -0.01 0.00 -1.83 0.00 0.00 57.00 52.03 3gdf n GLN 172 Cb 0.49 -1.40 0.12 0.00 -0.86 0.00 0.00 30.24 28.59 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 1.79 1.08 -0.65 -0.39 2.02 -1.93 -0.94 112.91 113.89 3gdf h THR 173 Ca 0.00 -0.34 0.08 0.00 0.77 0.00 0.00 66.41 66.92 3gdf h THR 173 Cb 1.05 0.01 -0.06 0.00 -1.74 0.00 0.00 68.15 67.41 3gdf h THR 173 CO 0.40 0.18 0.33 0.77 0.37 0.00 0.00 175.52 177.56 3gdf h SER 174 N 0.99 0.44 -0.01 4.18 4.64 -1.93 0.23 113.55 122.09 3gdf h SER 174 Ca 0.35 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3gdf h SER 174 Cb 0.09 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3gdf h SER 174 CO -0.14 0.27 0.00 0.22 -0.87 0.00 0.00 176.83 176.31 3gdf h TYR 175 N 0.59 0.01 0.00 4.77 3.20 -1.78 -1.15 116.97 122.60 3gdf h TYR 175 Ca 0.31 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.21 3gdf h TYR 175 Cb 0.28 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 3gdf h TYR 175 CO -0.11 0.27 -0.20 -0.91 -1.64 0.00 0.00 178.16 175.57 3gdf h ASN 176 N -0.25 -0.58 -0.44 -2.11 2.35 -0.61 0.17 115.58 114.12 3gdf h ASN 176 Ca 0.00 0.08 0.04 0.00 -0.55 0.00 0.00 56.30 55.87 3gdf h ASN 176 Cb 0.26 0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.83 3gdf h ASN 176 CO 0.00 -0.26 0.20 0.58 -1.65 0.00 0.00 177.43 176.30 3gdf h VAL 177 N -0.32 0.94 -0.38 2.81 2.07 -0.58 0.12 116.25 120.91 3gdf h VAL 177 Ca 0.06 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3gdf h VAL 177 Cb 0.39 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3gdf h VAL 177 CO -0.18 0.07 0.24 0.00 0.02 0.00 0.00 177.57 177.72 3gdf h ALA 178 N 1.24 0.48 -0.31 1.67 0.00 -0.74 -1.71 119.26 119.90 3gdf h ALA 178 Ca 0.19 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3gdf h ALA 178 Cb 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3gdf h ALA 178 CO -0.15 -0.04 -0.05 0.87 0.00 0.00 0.00 179.25 179.88 3gdf h LYS 179 N 0.51 0.49 -0.61 0.00 1.79 -0.17 -2.46 116.57 116.12 3gdf h LYS 179 Ca 0.14 -0.12 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 3gdf h LYS 179 Cb -0.03 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.53 3gdf h LYS 179 CO -0.03 0.56 0.25 0.00 -1.08 0.00 0.00 179.45 179.16 3gdf h ALA 180 N 1.48 0.79 -0.54 3.86 0.00 -0.26 -2.30 119.26 122.29 3gdf h ALA 180 Ca 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3gdf h ALA 180 Cb 0.38 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3gdf h ALA 180 CO 0.02 0.40 0.22 0.78 0.00 0.00 0.00 179.25 180.66 3gdf h GLY 181 N 0.85 0.83 0.99 0.00 0.00 -0.89 -2.62 103.07 102.23 3gdf h GLY 181 Ca 0.20 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3gdf h GLY 181 CO -0.02 0.39 0.31 0.00 0.00 0.00 0.00 176.54 177.22 3gdf h ILE 183 N 0.84 0.55 0.00 0.00 2.04 -1.08 -2.25 117.51 117.60 3gdf h ILE 183 Ca 0.21 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.05 3gdf h ILE 183 Cb 0.09 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3gdf h ILE 183 CO -0.03 0.00 -0.12 -0.74 0.00 0.00 0.00 178.15 177.26 3gdf h HIS 184 N -0.40 0.00 -0.48 1.37 2.76 -1.40 -2.13 115.15 114.87 3gdf h HIS 184 Ca 0.02 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.13 3gdf h HIS 184 Cb 0.41 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 3gdf h HIS 184 CO -0.18 0.12 0.07 1.98 -1.30 0.00 0.00 177.93 178.62 3gdf h MET 185 N 0.00 0.75 -0.47 5.26 -1.53 -0.41 0.75 114.93 119.28 3gdf h MET 185 Ca -0.00 -0.17 -0.05 0.00 -3.44 0.00 0.00 59.70 56.05 3gdf h MET 185 Cb 0.63 -0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 31.55 3gdf h MET 185 CO 0.02 0.72 0.12 0.00 0.14 0.00 0.00 176.91 177.90 3gdf h ALA 186 N 1.36 0.62 0.37 0.39 0.00 -0.87 0.30 119.26 121.43 3gdf h ALA 186 Ca 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3gdf h ALA 186 Cb 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3gdf h ALA 186 CO 0.01 0.31 -0.18 0.00 0.00 0.00 0.00 179.25 179.39 3gdf h ARG 187 N 0.64 -0.47 -0.34 0.00 3.08 -1.31 -1.27 114.38 114.70 3gdf h ARG 187 Ca 0.15 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.30 3gdf h ARG 187 Cb 0.33 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.42 3gdf h ARG 187 CO 0.00 -0.19 -0.06 1.03 -1.07 0.00 0.00 179.97 179.67 3gdf h SER 188 N -0.72 -0.27 -0.08 7.04 0.87 -0.80 -1.96 113.55 117.63 3gdf h SER 188 Ca -0.05 0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.53 3gdf h SER 188 Cb 0.50 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 3gdf h SER 188 CO 0.08 -0.09 -0.18 -0.07 -0.53 0.00 0.00 176.83 176.04 3gdf h LEU 189 N 0.02 0.45 -0.64 2.23 3.38 -0.95 -1.44 115.31 118.35 3gdf h LEU 189 Ca 0.16 -0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.12 3gdf h LEU 189 Cb 0.25 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 3gdf h LEU 189 CO -0.33 0.65 0.19 0.00 0.09 0.00 0.00 178.44 179.04 3gdf h ALA 190 N 1.40 0.81 -0.07 1.53 0.00 -0.45 0.50 119.26 122.99 3gdf h ALA 190 Ca 0.07 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3gdf h ALA 190 Cb 0.55 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3gdf h ALA 190 CO 0.04 -0.25 -0.08 -0.97 0.00 0.00 0.00 179.25 177.98 3gdf h ASN 191 N 0.34 0.18 -0.99 0.00 -1.24 -1.17 -1.22 115.58 111.49 3gdf h ASN 191 Ca 0.34 -0.51 0.01 0.00 0.71 0.00 0.00 56.30 56.85 3gdf h ASN 191 Cb 0.49 -0.05 -0.05 0.00 0.73 0.00 0.00 38.32 39.44 3gdf h ASN 191 CO -0.38 0.65 0.64 -0.08 -1.29 0.00 0.00 177.43 176.97 3gdf h GLU 192 N -0.28 1.31 -0.48 6.67 4.81 -0.72 -2.19 114.58 123.70 3gdf h GLU 192 Ca 0.01 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3gdf h GLU 192 Cb 0.61 -0.29 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3gdf h GLU 192 CO 0.02 0.88 0.00 0.91 -0.73 0.00 0.00 179.01 180.09 3gdf n TRP 193 N -4.38 0.63 0.24 0.92 8.01 0.17 -4.58 117.44 118.46 3gdf n TRP 193 Ca 0.12 -0.32 0.07 0.00 -1.31 0.00 0.00 57.50 56.05 3gdf n TRP 193 Cb 0.02 0.00 0.19 0.00 -2.01 0.00 0.00 31.31 29.51 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 3.26 0.00 0.00 -0.99 0.11 -0.54 0.13 114.38 116.35 3gdf h ARG 194 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 3gdf h ARG 194 Cb 0.74 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.81 3gdf h ARG 194 CO 0.00 0.00 -1.11 -0.25 0.10 0.00 0.00 179.97 178.71 3gdf n ASP 195 N -2.69 0.80 0.00 0.08 10.43 -1.26 -4.56 116.55 119.35 3gdf n ASP 195 Ca 0.03 0.32 0.00 0.00 2.57 0.00 0.00 54.79 57.71 3gdf n ASP 195 Cb 0.99 0.50 0.00 0.00 1.84 0.00 0.00 41.12 44.45 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 -2.68 0.00 -3.94 1.24 -1.74 0.36 -3.52 117.46 107.18 3gdf n PHE 196 Ca -0.01 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.79 3gdf n PHE 196 Cb 0.59 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.51 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 -0.81 0.03 -0.02 1.98 0.00 -0.66 -2.73 121.76 119.54 3gdf s ALA 197 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3gdf s ALA 197 Cb 0.00 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 3gdf s ALA 197 CO 0.00 -0.47 0.02 1.03 0.00 0.00 0.00 175.76 176.34 3gdf s ARG 198 N -3.88 2.88 -0.04 0.00 0.52 -1.03 -4.28 118.95 113.13 3gdf s ARG 198 Ca 0.06 -0.54 0.03 0.00 -0.52 0.00 0.00 55.73 54.76 3gdf s ARG 198 Cb 0.06 -2.73 0.01 0.00 0.52 0.00 0.00 34.95 32.80 3gdf s ARG 198 CO -0.10 0.65 -0.10 0.08 0.02 0.00 0.00 175.30 175.84 3gdf s VAL 199 N -1.06 0.92 0.12 3.52 1.01 -1.26 0.38 120.40 124.04 3gdf s VAL 199 Ca 0.19 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.62 3gdf s VAL 199 Cb -0.12 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.46 3gdf s VAL 199 CO 0.09 0.29 0.33 0.20 0.00 0.00 0.00 175.10 176.01 3gdf s ASN 200 N 0.30 -0.10 0.13 3.32 0.01 -0.63 0.11 114.94 118.08 3gdf s ASN 200 Ca -0.06 -0.47 0.06 0.00 -0.71 0.00 0.00 52.86 51.69 3gdf s ASN 200 Cb -0.11 0.43 -0.04 0.00 0.41 0.00 0.00 41.25 41.95 3gdf s ASN 200 CO 0.01 -0.82 -0.15 -0.94 -1.51 0.00 0.00 177.10 173.69 3gdf s SER 201 N -2.83 2.15 -0.10 -1.22 1.04 -0.54 -1.30 113.70 110.91 3gdf s SER 201 Ca 0.05 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 55.69 3gdf s SER 201 Cb 0.03 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.06 3gdf s SER 201 CO -0.11 -0.12 -0.23 -0.63 0.98 0.00 0.00 173.24 173.13 3gdf s ILE 202 N -2.13 1.96 -0.52 -1.02 1.01 -0.72 -1.03 121.20 118.75 3gdf s ILE 202 Ca 0.11 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 3gdf s ILE 202 Cb -0.05 -1.70 0.13 0.00 0.01 0.00 0.00 42.46 40.86 3gdf s ILE 202 CO 0.04 0.54 0.30 -0.44 0.00 0.00 0.00 174.94 175.37 3gdf s SER 203 N 0.36 5.00 0.63 3.58 0.01 0.41 0.40 113.70 124.09 3gdf s SER 203 Ca -0.18 -2.60 -0.14 0.00 1.31 0.00 0.00 55.95 54.34 3gdf s SER 203 Cb -0.18 -1.78 -0.02 0.00 0.21 0.00 0.00 66.02 64.25 3gdf s SER 203 CO 0.08 -0.39 1.06 -2.84 0.41 0.00 0.00 173.24 171.56 3gdf s PRO 204 N 0.31 3.20 0.00 12.44 0.02 -1.26 -1.80 135.00 147.91 3gdf s PRO 204 Ca 0.14 1.11 0.00 0.00 0.02 0.00 0.00 61.00 62.27 3gdf s PRO 204 Cb -0.22 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.28 3gdf s PRO 204 CO -0.03 -0.90 0.00 0.41 -0.33 0.00 0.00 177.00 176.15 3gdf n GLY 205 N -1.35 3.24 3.55 0.52 0.00 -0.50 0.14 105.19 110.79 3gdf n GLY 205 Ca 0.08 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 43.94 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 3.33 1.59 -0.37 1.61 2.02 -1.26 -4.92 117.35 119.36 3gdf s TYR 206 Ca 0.00 0.89 -0.05 0.00 -0.37 0.00 0.00 57.07 57.53 3gdf s TYR 206 Cb 0.00 -4.02 0.07 0.00 -0.40 0.00 0.00 41.96 37.61 3gdf s TYR 206 CO 0.00 -2.29 0.14 0.42 -1.57 0.00 0.00 175.55 172.26 3gdf s ILE 207 N 9.62 3.64 -0.35 2.71 -1.09 -1.26 -0.40 121.20 134.06 3gdf s ILE 207 Ca 0.71 -1.44 -0.29 0.00 -2.23 0.00 0.00 60.65 57.40 3gdf s ILE 207 Cb -0.13 -3.20 -0.01 0.00 -1.58 0.00 0.00 42.46 37.55 3gdf s ILE 207 CO 0.20 -0.36 1.62 -0.62 -1.23 0.00 0.00 174.94 174.55 3gdf s ASP 208 N 1.65 6.12 0.00 3.58 2.15 -0.64 -4.83 116.67 124.70 3gdf s ASP 208 Ca 0.01 1.14 0.21 0.00 0.43 0.00 0.00 52.55 54.34 3gdf s ASP 208 Cb -0.21 -2.53 0.10 0.00 -0.30 0.00 0.00 42.92 39.98 3gdf s ASP 208 CO 0.00 -1.55 1.12 0.35 -0.17 0.00 0.00 175.17 174.93 3gdf n THR 209 N 7.19 0.00 0.00 1.71 -2.24 -1.26 -4.42 114.28 115.25 3gdf n THR 209 Ca 0.20 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3gdf n THR 209 Cb 0.47 1.37 0.00 0.00 -2.10 0.00 0.00 70.33 70.07 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 1.27 4.36 1.50 3.38 0.00 -1.26 -4.65 105.19 109.80 3gdf n GLY 210 Ca 0.11 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 3.24 -1.05 0.99 4.77 -1.26 -4.31 117.00 119.38 3gdf n LEU 211 Ca 0.00 -1.48 -0.02 0.00 -0.03 0.00 0.00 56.01 54.48 3gdf n LEU 211 Cb 0.00 -0.66 0.06 0.00 -2.33 0.00 0.00 43.42 40.49 3gdf n LEU 211 CO 0.00 0.60 0.54 -1.54 -1.33 0.00 0.00 177.39 175.66 3gdf n SER 212 N 1.42 2.64 0.00 -1.43 3.41 -1.26 -3.34 113.62 115.05 3gdf n SER 212 Ca 0.00 -2.28 0.00 0.00 -0.26 0.00 0.00 58.87 56.33 3gdf n SER 212 Cb 0.34 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 3gdf n SER 212 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gdf n ASP 213 N 0.14 4.36 0.00 4.04 10.43 -1.26 -4.60 116.55 129.66 3gdf n ASP 213 Ca 0.10 0.00 0.09 0.00 2.57 0.00 0.00 54.79 57.55 3gdf n ASP 213 Cb 0.62 0.45 0.51 0.00 1.84 0.00 0.00 41.12 44.54 3gdf n ASP 213 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3gdf n PHE 214 N -1.79 0.00 -4.40 1.24 3.01 -1.21 -4.63 117.46 109.68 3gdf n PHE 214 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.12 3gdf n PHE 214 Cb 0.42 -0.12 -0.13 0.00 -0.01 0.00 0.00 39.48 39.64 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 -2.24 3.75 0.25 -4.37 1.01 -1.26 -5.08 120.40 112.46 3gdf s VAL 215 Ca 0.23 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 3gdf s VAL 215 Cb 0.13 -2.64 -0.14 0.00 0.00 0.00 0.00 36.38 33.72 3gdf s VAL 215 CO 0.24 0.49 1.19 -2.65 0.00 0.00 0.00 175.10 174.36 3gdf n PRO 216 N 3.67 1.57 -0.16 2.72 -0.02 -1.26 -4.81 135.00 136.71 3gdf n PRO 216 Ca -0.17 0.55 -0.02 0.00 -2.02 0.00 0.00 63.50 61.84 3gdf n PRO 216 Cb 0.52 -2.06 0.07 0.00 -0.02 0.00 0.00 33.50 32.02 3gdf n PRO 216 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3gdf h LYS 217 N 3.00 0.28 0.00 -0.52 3.11 -1.95 0.58 116.57 121.07 3gdf h LYS 217 Ca -0.43 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.39 3gdf h LYS 217 Cb 1.32 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 32.48 3gdf h LYS 217 CO 0.67 0.18 -0.03 1.49 -2.81 0.00 0.00 179.45 178.95 3gdf h GLU 218 N 0.28 0.00 0.01 1.90 4.57 -2.00 -0.63 114.58 118.71 3gdf h GLU 218 Ca 0.25 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.22 3gdf h GLU 218 Cb 0.32 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 3gdf h GLU 218 CO -0.30 0.03 -0.93 1.15 -1.18 0.00 0.00 179.01 177.77 3gdf h THR 219 N 0.00 1.46 -0.40 0.32 2.02 -1.25 -2.80 112.91 112.26 3gdf h THR 219 Ca -0.00 -2.58 -0.07 0.00 0.77 0.00 0.00 66.41 64.53 3gdf h THR 219 Cb 0.08 2.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 3gdf h THR 219 CO 0.00 0.76 -0.03 1.56 0.37 0.00 0.00 175.52 178.18 3gdf h GLN 220 N 0.16 0.72 -0.53 6.66 4.20 -0.39 -2.48 115.11 123.44 3gdf h GLN 220 Ca -0.07 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.39 3gdf h GLN 220 Cb 1.57 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.27 3gdf h GLN 220 CO 0.15 0.83 0.28 1.96 -0.67 0.00 0.00 178.83 181.38 3gdf h GLN 221 N 0.54 0.75 0.15 1.46 4.20 -1.41 -0.05 115.11 120.75 3gdf h GLN 221 Ca 0.11 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.73 3gdf h GLN 221 Cb 0.52 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 3gdf h GLN 221 CO 0.03 0.59 -0.20 1.25 -0.67 0.00 0.00 178.83 179.82 3gdf h LEU 222 N 0.71 -0.56 -0.02 1.46 5.85 -1.39 -1.11 115.31 120.26 3gdf h LEU 222 Ca 0.19 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.98 3gdf h LEU 222 Cb 0.07 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3gdf h LEU 222 CO -0.03 -0.29 -0.09 -0.50 -0.34 0.00 0.00 178.44 177.19 3gdf h TRP 223 N -0.41 -0.23 -0.54 1.25 6.55 -1.23 -1.78 115.95 119.56 3gdf h TRP 223 Ca 0.01 0.01 0.16 0.00 0.95 0.00 0.00 58.89 60.02 3gdf h TRP 223 Cb 0.41 0.11 -0.02 0.00 -0.86 0.00 0.00 29.16 28.79 3gdf h TRP 223 CO -0.18 -0.14 0.52 0.45 -1.05 0.00 0.00 178.44 178.05 3gdf h HIS 224 N -0.15 0.00 0.00 0.49 3.86 -0.70 0.77 115.15 119.42 3gdf h HIS 224 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3gdf h HIS 224 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 3gdf h HIS 224 CO -0.17 0.00 -0.07 0.66 0.86 0.00 0.00 177.93 179.21 3gdf h SER 225 N 0.00 0.00 0.09 2.45 4.64 -0.30 -3.01 113.55 117.41 3gdf h SER 225 Ca 0.26 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3gdf h SER 225 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3gdf h SER 225 CO -0.00 0.01 -0.35 0.23 -0.87 0.00 0.00 176.83 175.84 3gdf n MET 226 N -2.65 1.11 -3.68 4.77 2.00 0.26 -4.81 117.12 114.12 3gdf n MET 226 Ca 0.05 -0.82 -0.37 0.00 0.00 0.00 0.00 57.70 56.55 3gdf n MET 226 Cb 0.48 -1.48 -0.11 0.00 0.00 0.00 0.00 33.22 32.10 3gdf n MET 226 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3gdf s ILE 227 N -2.45 4.92 0.29 2.02 1.01 -0.87 -4.67 121.20 121.45 3gdf s ILE 227 Ca 0.22 0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.95 3gdf s ILE 227 Cb 0.19 -3.32 0.29 0.00 0.01 0.00 0.00 42.46 39.63 3gdf s ILE 227 CO 0.53 0.30 1.72 -0.65 0.00 0.00 0.00 174.94 176.85 3gdf h PRO 228 N 8.13 0.51 0.00 2.79 0.11 -1.81 0.51 132.00 142.24 3gdf h PRO 228 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3gdf h PRO 228 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3gdf h PRO 228 CO 0.58 0.34 0.00 -1.33 -0.21 0.00 0.00 178.00 177.38 3gdf n MET 229 N -4.94 0.09 -1.91 1.05 2.81 -1.16 -4.91 117.12 108.15 3gdf n MET 229 Ca 0.23 0.08 -0.20 0.00 -1.81 0.00 0.00 57.70 55.99 3gdf n MET 229 Cb 0.63 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.59 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 0.93 0.97 3.40 3.03 0.00 0.18 -4.96 105.19 108.74 3gdf n GLY 230 Ca 0.07 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.25 1.22 0.37 1.61 1.70 -1.26 -4.88 118.95 113.47 3gdf s ARG 231 Ca 0.00 -1.03 -0.15 0.00 -0.47 0.00 0.00 55.73 54.08 3gdf s ARG 231 Cb 0.00 0.43 -0.09 0.00 -0.57 0.00 0.00 34.95 34.73 3gdf s ARG 231 CO 0.00 -0.48 0.79 -0.51 -1.08 0.00 0.00 175.30 174.03 3gdf s ASP 232 N -2.92 6.72 0.68 -2.89 1.01 -1.26 -4.97 116.67 113.04 3gdf s ASP 232 Ca 0.13 1.32 -0.07 0.00 0.71 0.00 0.00 52.55 54.64 3gdf s ASP 232 Cb 0.02 -2.39 0.04 0.00 1.01 0.00 0.00 42.92 41.60 3gdf s ASP 232 CO -0.02 -0.30 1.00 -0.83 0.21 0.00 0.00 175.17 175.23 3gdf s GLY 233 N -2.54 1.65 -0.07 0.21 0.00 0.46 -4.81 107.32 102.23 3gdf s GLY 233 Ca 0.55 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 44.50 3gdf s GLY 233 CO 0.21 -0.43 -0.16 1.08 0.00 0.00 0.00 173.10 173.81 3gdf s LEU 234 N -5.20 2.63 0.48 0.66 1.43 -1.26 -1.63 118.68 115.79 3gdf s LEU 234 Ca 0.58 -0.27 0.32 0.00 -1.03 0.00 0.00 54.13 53.74 3gdf s LEU 234 Cb -0.11 -1.54 1.43 0.00 0.03 0.00 0.00 46.19 46.01 3gdf s LEU 234 CO 0.46 0.29 1.73 0.00 0.23 0.00 0.00 176.35 179.05 3gdf h ALA 235 N 5.74 2.91 0.00 4.21 0.00 -1.83 0.56 119.26 130.85 3gdf h ALA 235 Ca -0.40 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3gdf h ALA 235 Cb 1.17 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3gdf h ALA 235 CO 0.51 -1.36 0.00 0.36 0.00 0.00 0.00 179.25 178.76 3gdf n LYS 236 N -4.38 0.25 -0.17 0.00 2.85 -1.26 -1.93 118.16 113.52 3gdf n LYS 236 Ca 0.31 0.12 0.10 0.00 -1.05 0.00 0.00 58.31 57.79 3gdf n LYS 236 Cb 1.30 -1.50 0.27 0.00 -0.65 0.00 0.00 35.03 34.45 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 -1.24 2.14 -0.00 -1.58 1.02 0.20 -3.93 120.64 117.24 3gdf n GLU 237 Ca 0.08 -1.74 0.04 0.00 -0.02 0.00 0.00 57.16 55.52 3gdf n GLU 237 Cb 0.11 -1.44 -0.05 0.00 -0.02 0.00 0.00 31.44 30.04 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 0.94 0.38 0.22 -4.62 4.32 -0.81 -4.57 117.00 112.86 3gdf n LEU 238 Ca 0.18 -0.48 0.08 0.00 -0.02 0.00 0.00 56.01 55.76 3gdf n LEU 238 Cb 0.46 0.00 0.53 0.00 -1.62 0.00 0.00 43.42 42.79 3gdf n LEU 238 CO 0.14 0.09 0.85 0.07 -1.22 0.00 0.00 177.39 177.32 3gdf h LYS 239 N 0.00 0.00 -0.27 3.23 2.10 -1.69 -2.25 116.57 117.70 3gdf h LYS 239 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 3gdf h LYS 239 Cb 0.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.52 3gdf h LYS 239 CO 0.00 0.24 0.15 0.78 -2.00 0.00 0.00 179.45 178.61 3gdf h GLY 240 N 1.10 0.40 0.99 0.07 0.00 -1.83 -1.74 103.07 102.06 3gdf h GLY 240 Ca -0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 3gdf h GLY 240 CO 0.03 0.18 -0.13 0.00 0.00 0.00 0.00 176.54 176.62 3gdf h ALA 241 N 1.02 0.54 -0.62 3.60 0.00 -1.77 0.18 119.26 122.21 3gdf h ALA 241 Ca 0.09 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.70 3gdf h ALA 241 Cb 0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3gdf h ALA 241 CO -0.01 0.44 0.38 1.88 0.00 0.00 0.00 179.25 181.94 3gdf h TYR 242 N 0.59 0.71 -0.02 0.00 0.99 -1.32 -0.84 116.97 117.08 3gdf h TYR 242 Ca 0.10 0.02 -0.16 0.00 2.00 0.00 0.00 58.73 60.68 3gdf h TYR 242 Cb 0.66 -0.23 -0.02 0.00 1.00 0.00 0.00 36.73 38.14 3gdf h TYR 242 CO 0.05 0.41 -0.74 0.28 -0.00 0.00 0.00 178.16 178.16 3gdf h VAL 243 N 0.75 1.47 0.23 -2.88 2.07 -1.25 -2.05 116.25 114.60 3gdf h VAL 243 Ca 0.25 -2.38 -0.01 0.00 0.82 0.00 0.00 66.70 65.38 3gdf h VAL 243 Cb 0.02 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3gdf h VAL 243 CO -0.10 0.69 -0.11 0.22 0.02 0.00 0.00 177.57 178.29 3gdf h TYR 244 N 0.08 -0.29 -0.24 1.57 3.20 -0.25 -1.96 116.97 119.09 3gdf h TYR 244 Ca -0.02 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.72 3gdf h TYR 244 Cb 1.30 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.65 3gdf h TYR 244 CO 0.02 -0.16 -0.38 0.74 -1.64 0.00 0.00 178.16 176.74 3gdf h PHE 245 N -0.34 0.65 0.00 -3.82 0.04 -1.18 -3.27 116.94 109.03 3gdf h PHE 245 Ca -0.03 -0.18 -0.08 0.00 2.80 0.00 0.00 57.97 60.47 3gdf h PHE 245 Cb 0.26 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 3gdf h PHE 245 CO -0.05 0.85 -0.39 0.00 -0.60 0.00 0.00 178.31 178.12 3gdf h ALA 246 N 1.13 0.89 -5.15 2.45 0.00 -1.30 -3.46 119.26 113.81 3gdf h ALA 246 Ca 0.04 -0.36 -0.36 0.00 0.00 0.00 0.00 54.91 54.24 3gdf h ALA 246 Cb 0.87 -0.06 0.06 0.00 0.00 0.00 0.00 17.79 18.66 3gdf h ALA 246 CO 0.07 0.49 0.08 -1.13 0.00 0.00 0.00 179.25 178.77 3gdf n SER 247 N -3.41 1.07 -0.91 0.00 3.41 -0.75 -4.78 113.62 108.26 3gdf n SER 247 Ca 0.01 -1.89 0.02 0.00 -0.26 0.00 0.00 58.87 56.74 3gdf n SER 247 Cb 0.57 -0.50 0.11 0.00 -0.26 0.00 0.00 64.21 64.14 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 -2.91 2.37 -1.06 4.04 9.92 -0.37 -3.64 116.55 124.90 3gdf n ASP 248 Ca 0.13 -2.27 0.10 0.00 -0.53 0.00 0.00 54.79 52.22 3gdf n ASP 248 Cb 0.46 -0.55 0.26 0.00 -0.64 0.00 0.00 41.12 40.64 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 0.17 2.41 -2.35 2.24 0.00 -1.22 -4.07 120.51 117.70 3gdf n ALA 249 Ca 0.08 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.53 3gdf n ALA 249 Cb 0.53 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 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 1.20 0.33 0.00 0.00 3.41 -1.24 -4.94 113.62 112.37 3gdf n SER 250 Ca 0.19 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.80 3gdf n SER 250 Cb 0.50 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.27 0.73 -0.01 6.66 -2.24 -1.26 -0.20 114.28 118.23 3gdf n THR 251 Ca -0.05 0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3gdf n THR 251 Cb 0.99 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 -1.16 0.00 -3.63 4.78 9.36 -1.26 -4.77 117.16 120.47 3gdf n TYR 252 Ca 0.00 -0.12 -0.36 0.00 3.32 0.00 0.00 57.90 60.74 3gdf n TYR 252 Cb 0.01 -0.01 -0.07 0.00 -0.63 0.00 0.00 39.34 38.64 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 -0.23 5.34 -0.28 2.97 -4.23 0.72 -5.05 115.64 114.88 3gdf s THR 253 Ca 0.00 0.42 -0.20 0.00 -1.18 0.00 0.00 61.69 60.73 3gdf s THR 253 Cb 0.00 -3.56 0.13 0.00 1.34 0.00 0.00 72.50 70.41 3gdf s THR 253 CO 0.00 0.45 0.97 0.28 -0.54 0.00 0.00 174.62 175.78 3gdf s THR 254 N 0.13 0.00 0.00 3.99 -1.32 -1.26 -4.70 115.64 112.48 3gdf s THR 254 Ca 0.14 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.62 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 3.03 0.70 3.90 6.08 0.00 0.30 -4.95 105.19 114.26 3gdf n GLY 255 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.55 3.62 0.07 4.61 0.00 -1.26 -4.57 121.76 121.68 3gdf s ALA 256 Ca 0.00 -0.51 0.09 0.00 0.00 0.00 0.00 51.96 51.53 3gdf s ALA 256 Cb 0.00 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.77 3gdf s ALA 256 CO 0.00 0.30 -0.23 0.34 0.00 0.00 0.00 175.76 176.16 3gdf s ASP 257 N -3.01 2.82 -0.17 0.00 3.68 -1.26 -1.47 116.67 117.26 3gdf s ASP 257 Ca 0.44 -0.62 -0.00 0.00 2.13 0.00 0.00 52.55 54.51 3gdf s ASP 257 Cb -0.11 -0.22 0.04 0.00 -1.45 0.00 0.00 42.92 41.19 3gdf s ASP 257 CO 0.28 0.17 -0.07 -0.22 0.13 0.00 0.00 175.17 175.46 3gdf s LEU 258 N -1.50 1.80 -0.03 -1.34 2.96 -0.20 -4.97 118.68 115.40 3gdf s LEU 258 Ca 0.10 -0.71 -0.22 0.00 -0.22 0.00 0.00 54.13 53.08 3gdf s LEU 258 Cb -0.10 -1.02 -0.05 0.00 0.50 0.00 0.00 46.19 45.52 3gdf s LEU 258 CO 0.03 -0.16 0.65 -0.76 -1.32 0.00 0.00 176.35 174.79 3gdf s LEU 259 N 1.56 4.38 -0.44 -0.68 1.43 -1.26 -0.45 118.68 123.21 3gdf s LEU 259 Ca 0.01 1.19 0.03 0.00 -1.03 0.00 0.00 54.13 54.33 3gdf s LEU 259 Cb -0.15 -3.01 0.16 0.00 0.03 0.00 0.00 46.19 43.21 3gdf s LEU 259 CO -0.08 0.01 0.31 -0.63 0.23 0.00 0.00 176.35 176.19 3gdf s ILE 260 N 0.23 0.83 -0.02 -0.59 1.01 -0.75 -4.92 121.20 117.00 3gdf s ILE 260 Ca 0.34 -2.65 0.06 0.00 0.00 0.00 0.00 60.65 58.40 3gdf s ILE 260 Cb -0.18 -1.58 0.11 0.00 0.01 0.00 0.00 42.46 40.82 3gdf s ILE 260 CO 0.18 -1.09 1.05 -0.90 0.00 0.00 0.00 174.94 174.17 3gdf n ASP 261 N 3.11 0.42 -1.42 3.58 5.75 -1.26 -1.41 116.55 125.31 3gdf n ASP 261 Ca 0.21 -2.14 -0.19 0.00 -0.01 0.00 0.00 54.79 52.66 3gdf n ASP 261 Cb 0.41 -0.24 -0.08 0.00 -1.03 0.00 0.00 41.12 40.18 3gdf n ASP 261 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gdf n GLY 262 N -0.07 1.79 1.44 6.12 0.00 -1.26 -1.25 105.19 111.97 3gdf n GLY 262 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.49 0.72 0.27 -0.02 0.00 -1.26 -2.97 105.19 101.44 3gdf n GLY 263 Ca -0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 0.10 0.00 1.61 5.03 -1.45 0.28 116.97 122.54 3gdf h TYR 264 Ca 0.00 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.36 3gdf h TYR 264 Cb 0.00 0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.35 3gdf h TYR 264 CO 0.00 -0.18 0.00 1.79 -1.32 0.00 0.00 178.16 178.45 3gdf h THR 265 N 0.17 0.00 -0.22 1.81 1.35 -1.91 -3.02 112.91 111.09 3gdf h THR 265 Ca 0.42 -0.25 -0.00 0.00 -0.55 0.00 0.00 66.41 66.03 3gdf h THR 265 Cb 0.74 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 3gdf h THR 265 CO -0.60 0.00 0.12 0.74 -0.25 0.00 0.00 175.52 175.53 3gdf h THR 266 N 0.00 1.07 -0.02 6.82 2.02 -0.84 -3.52 112.91 118.44 3gdf h THR 266 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3gdf h THR 266 Cb 0.35 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3gdf h THR 266 CO 0.00 0.07 0.00 0.54 0.37 0.00 0.00 175.52 176.50