#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gdf h PRO 2 N 0.00 0.83 -1.55 0.03 0.13 -1.91 -3.50 132.00 126.02 3gdf h PRO 2 Ca 0.00 -0.58 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 3gdf h PRO 2 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 3gdf h PRO 2 CO 0.00 1.21 -0.39 0.41 -0.23 0.00 0.00 178.00 178.99 3gdf n GLY 3 N 0.50 -3.46 3.61 1.56 0.00 -0.85 -4.87 105.19 101.68 3gdf n GLY 3 Ca -0.06 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 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 -4.76 3.97 0.39 1.61 -0.21 -1.25 -4.88 119.66 114.53 3gdf s GLN 4 Ca 0.00 0.50 0.08 0.00 0.02 0.00 0.00 55.36 55.96 3gdf s GLN 4 Cb 0.00 -3.71 -0.03 0.00 1.00 0.00 0.00 33.01 30.27 3gdf s GLN 4 CO 0.00 -0.60 0.33 -0.65 -2.12 0.00 0.00 175.29 172.25 3gdf s GLN 5 N 2.77 2.54 0.38 2.91 -1.52 -1.26 -5.11 119.66 120.37 3gdf s GLN 5 Ca 0.29 -1.51 -0.24 0.00 -1.95 0.00 0.00 55.36 51.95 3gdf s GLN 5 Cb -0.15 -2.35 -0.09 0.00 -0.22 0.00 0.00 33.01 30.20 3gdf s GLN 5 CO 0.11 -0.10 1.02 0.00 -0.25 0.00 0.00 175.29 176.07 3gdf s ALA 6 N -2.44 3.12 0.21 6.09 0.00 -1.26 -4.92 121.76 122.56 3gdf s ALA 6 Ca 0.45 0.64 -0.30 0.00 0.00 0.00 0.00 51.96 52.75 3gdf s ALA 6 Cb -0.03 -3.24 -0.16 0.00 0.00 0.00 0.00 23.12 19.69 3gdf s ALA 6 CO 0.27 -0.10 0.96 -2.37 0.00 0.00 0.00 175.76 174.52 3gdf n THR 7 N 0.06 1.49 0.82 0.00 5.66 -1.26 -4.83 114.28 116.23 3gdf n THR 7 Ca 0.04 -0.37 0.12 0.00 -3.05 0.00 0.00 64.05 60.79 3gdf n THR 7 Cb 0.50 -0.67 0.51 0.00 -1.55 0.00 0.00 70.33 69.12 3gdf n THR 7 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 3gdf n LYS 8 N 1.20 0.01 -3.42 1.09 2.85 -1.26 -4.81 118.16 113.81 3gdf n LYS 8 Ca 0.14 0.09 -0.38 0.00 -1.05 0.00 0.00 58.31 57.11 3gdf n LYS 8 Cb 0.26 -1.51 -0.06 0.00 -0.65 0.00 0.00 35.03 33.08 3gdf n LYS 8 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 3gdf s HIS 9 N -3.00 3.72 -0.15 5.58 3.76 -1.26 -4.98 115.29 118.96 3gdf s HIS 9 Ca 0.12 1.07 -0.04 0.00 -0.15 0.00 0.00 55.06 56.06 3gdf s HIS 9 Cb 0.16 -2.35 -0.24 0.00 1.11 0.00 0.00 32.58 31.26 3gdf s HIS 9 CO 0.44 0.59 0.24 0.39 -0.85 0.00 0.00 174.74 175.55 3gdf n GLU 10 N 1.57 0.73 -2.08 1.40 -0.58 -1.26 -4.88 120.64 115.54 3gdf n GLU 10 Ca -0.11 0.23 -0.41 0.00 -0.42 0.00 0.00 57.16 56.45 3gdf n GLU 10 Cb 0.52 -1.67 -0.02 0.00 -0.57 0.00 0.00 31.44 29.70 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 -6.87 6.73 0.02 1.62 0.15 -1.26 -4.95 113.70 109.14 3gdf s SER 11 Ca -0.24 2.68 -0.22 0.00 0.70 0.00 0.00 55.95 58.87 3gdf s SER 11 Cb 0.07 -2.64 -0.16 0.00 -1.71 0.00 0.00 66.02 61.58 3gdf s SER 11 CO 0.73 -0.59 1.31 0.25 1.20 0.00 0.00 173.24 176.15 3gdf h LEU 12 N 3.90 0.29 -1.11 3.45 6.46 -1.99 -2.02 115.31 124.28 3gdf h LEU 12 Ca -0.48 -0.49 0.18 0.00 -0.12 0.00 0.00 57.88 56.97 3gdf h LEU 12 Cb 1.22 -0.08 -0.09 0.00 -0.73 0.00 0.00 40.66 40.98 3gdf h LEU 12 CO 0.69 0.72 0.61 -0.07 -0.62 0.00 0.00 178.44 179.78 3gdf h LEU 13 N -0.14 0.73 -0.37 2.25 3.38 -1.99 0.16 115.31 119.33 3gdf h LEU 13 Ca 0.02 0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.88 3gdf h LEU 13 Cb 0.65 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3gdf h LEU 13 CO 0.03 0.29 -0.59 0.44 0.09 0.00 0.00 178.44 178.70 3gdf h ASP 14 N 0.73 0.81 -0.65 -0.43 3.45 -1.94 -2.23 116.42 116.15 3gdf h ASP 14 Ca 0.54 -0.45 -0.07 0.00 0.43 0.00 0.00 57.03 57.48 3gdf h ASP 14 Cb 0.89 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 39.40 3gdf h ASP 14 CO -0.32 1.21 0.12 1.56 -1.57 0.00 0.00 179.24 180.24 3gdf h GLN 15 N 0.54 1.08 0.00 3.56 4.20 -0.09 -2.44 115.11 121.96 3gdf h GLN 15 Ca 0.00 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.43 3gdf h GLN 15 Cb 1.18 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.82 3gdf h GLN 15 CO 0.12 0.98 -0.03 -0.07 -0.67 0.00 0.00 178.83 179.16 3gdf h LEU 16 N 1.01 0.00 -9.93 1.46 3.38 -0.76 -1.28 115.31 109.20 3gdf h LEU 16 Ca 0.20 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.63 3gdf h LEU 16 Cb 0.42 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.27 3gdf h LEU 16 CO 0.01 0.03 0.79 -0.24 0.09 0.00 0.00 178.44 179.11 3gdf n SER 17 N -3.12 3.81 -1.64 -0.43 2.88 -0.85 -4.82 113.62 109.46 3gdf n SER 17 Ca 0.02 1.22 -0.06 0.00 -1.33 0.00 0.00 58.87 58.72 3gdf n SER 17 Cb 0.41 -1.62 0.08 0.00 -0.75 0.00 0.00 64.21 62.33 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 0.61 3.09 -4.73 2.46 4.77 -0.65 -4.71 117.00 117.84 3gdf n LEU 18 Ca 0.02 -3.79 -0.40 0.00 -0.03 0.00 0.00 56.01 51.81 3gdf n LEU 18 Cb 0.39 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 3gdf n LEU 18 CO 0.64 1.47 0.49 -0.54 -1.33 0.00 0.00 177.39 178.12 3gdf s LYS 19 N -3.00 4.50 0.00 3.23 1.02 -0.76 -3.17 119.74 121.55 3gdf s LYS 19 Ca 0.40 1.08 0.00 0.00 0.02 0.00 0.00 55.97 57.47 3gdf s LYS 19 Cb 0.38 -3.40 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 3gdf s LYS 19 CO -0.04 0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.96 3gdf n GLY 20 N 2.68 0.73 3.34 -3.33 0.00 -1.26 -5.05 105.19 102.30 3gdf n GLY 20 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.43 1.27 -0.07 1.61 1.02 -1.19 -5.08 119.74 116.87 3gdf s LYS 21 Ca 0.00 -1.35 0.02 0.00 0.02 0.00 0.00 55.97 54.66 3gdf s LYS 21 Cb 0.00 -1.45 -0.02 0.00 -0.52 0.00 0.00 37.83 35.83 3gdf s LYS 21 CO 0.00 0.31 -0.12 0.08 -0.92 0.00 0.00 175.35 174.70 3gdf s VAL 22 N -1.69 3.24 0.03 3.17 1.01 -1.26 -2.19 120.40 122.71 3gdf s VAL 22 Ca 0.14 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3gdf s VAL 22 Cb -0.07 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 3gdf s VAL 22 CO 0.06 0.58 -0.12 -0.69 0.00 0.00 0.00 175.10 174.93 3gdf s VAL 23 N -0.53 0.95 -0.07 2.92 1.01 -0.11 -0.49 120.40 124.07 3gdf s VAL 23 Ca 0.07 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.17 3gdf s VAL 23 Cb -0.12 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.40 3gdf s VAL 23 CO 0.02 -0.03 -0.16 0.54 0.00 0.00 0.00 175.10 175.47 3gdf s VAL 24 N -0.83 1.42 -0.11 2.92 0.11 -0.54 -0.85 120.40 122.52 3gdf s VAL 24 Ca -0.00 -0.65 0.03 0.00 -2.93 0.00 0.00 61.98 58.43 3gdf s VAL 24 Cb -0.07 -1.26 0.01 0.00 -1.53 0.00 0.00 36.38 33.52 3gdf s VAL 24 CO 0.01 0.42 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.30 3gdf s VAL 25 N 0.52 1.85 -0.31 2.04 1.01 0.83 -0.69 120.40 125.65 3gdf s VAL 25 Ca -0.15 -0.88 0.23 0.00 0.00 0.00 0.00 61.98 61.18 3gdf s VAL 25 Cb -0.16 -1.63 0.08 0.00 0.00 0.00 0.00 36.38 34.67 3gdf s VAL 25 CO 0.05 0.51 1.19 0.71 0.00 0.00 0.00 175.10 177.56 3gdf h THR 26 N 5.81 0.00 0.08 3.92 1.35 -1.81 -1.92 112.91 120.34 3gdf h THR 26 Ca -0.26 -0.96 -0.13 0.00 -0.55 0.00 0.00 66.41 64.52 3gdf h THR 26 Cb 1.21 1.57 0.01 0.00 -1.73 0.00 0.00 68.15 69.21 3gdf h THR 26 CO 0.49 0.00 -0.59 1.23 -0.25 0.00 0.00 175.52 176.40 3gdf h GLY 27 N 4.04 0.20 -3.85 5.82 0.00 -1.79 -3.38 103.07 104.11 3gdf h GLY 27 Ca 0.00 -0.50 -0.14 0.00 0.00 0.00 0.00 47.33 46.68 3gdf h GLY 27 CO 0.00 0.44 0.96 0.00 0.00 0.00 0.00 176.54 177.94 3gdf n ALA 28 N -2.71 0.53 0.00 3.60 0.00 -1.26 -4.37 120.51 116.30 3gdf n ALA 28 Ca -0.14 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.82 3gdf n ALA 28 Cb 0.70 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.13 3gdf n ALA 28 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gdf n SER 29 N 2.87 0.00 -4.58 0.00 2.88 -1.26 -4.41 113.62 109.11 3gdf n SER 29 Ca 0.27 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.56 3gdf n SER 29 Cb 0.13 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.59 3gdf n SER 29 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gdf n GLY 30 N 0.05 2.90 0.17 0.46 0.00 -1.26 -3.58 105.19 103.92 3gdf n GLY 30 Ca 0.00 -2.30 -0.12 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.30 -1.64 1.61 0.11 -1.94 -3.40 132.00 126.44 3gdf h PRO 31 Ca -0.33 0.02 -0.50 0.00 0.11 0.00 0.00 66.00 65.30 3gdf h PRO 31 Cb 1.17 0.07 -0.41 0.00 0.11 0.00 0.00 31.00 31.94 3gdf h PRO 31 CO 0.52 0.07 -0.95 0.36 -0.21 0.00 0.00 178.00 177.79 3gdf n LYS 32 N -5.03 2.21 -2.98 1.05 2.85 -1.26 -4.87 118.16 110.13 3gdf n LYS 32 Ca -0.08 -3.99 -0.19 0.00 -1.05 0.00 0.00 58.31 53.00 3gdf n LYS 32 Cb 0.26 -1.84 0.05 0.00 -0.65 0.00 0.00 35.03 32.84 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 -3.17 1.81 0.33 2.58 0.00 -1.26 -4.44 107.32 103.17 3gdf s GLY 33 Ca 0.41 -1.93 0.05 0.00 0.00 0.00 0.00 44.72 43.25 3gdf s GLY 33 CO -0.09 -1.56 1.82 -0.33 0.00 0.00 0.00 173.10 172.94 3gdf h MET 34 N 0.28 0.41 0.66 2.90 2.86 -1.95 -2.63 114.93 117.46 3gdf h MET 34 Ca -0.34 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.15 3gdf h MET 34 Cb 1.28 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.91 3gdf h MET 34 CO 0.43 0.56 -0.32 0.78 1.06 0.00 0.00 176.91 179.42 3gdf h GLY 35 N 0.91 -0.92 0.97 8.32 0.00 -1.95 -0.95 103.07 109.45 3gdf h GLY 35 Ca 0.07 0.34 0.09 0.00 0.00 0.00 0.00 47.33 47.83 3gdf h GLY 35 CO 0.03 -0.34 0.46 1.19 0.00 0.00 0.00 176.54 177.88 3gdf h ILE 36 N -1.06 0.94 -0.09 2.60 6.09 -1.82 0.20 117.51 124.37 3gdf h ILE 36 Ca -0.09 -0.20 -0.11 0.00 -1.37 0.00 0.00 64.86 63.09 3gdf h ILE 36 Cb 0.68 0.30 -0.01 0.00 0.47 0.00 0.00 36.82 38.25 3gdf h ILE 36 CO 0.15 0.11 -0.43 -0.33 -3.07 0.00 0.00 178.15 174.58 3gdf h GLU 37 N 0.59 0.21 -0.22 2.19 4.39 -1.45 0.04 114.58 120.33 3gdf h GLU 37 Ca 0.32 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 59.80 3gdf h GLU 37 Cb 0.45 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 3gdf h GLU 37 CO -0.11 0.61 -0.35 0.00 -1.16 0.00 0.00 179.01 178.00 3gdf h ALA 38 N 1.38 1.00 -0.03 3.43 0.00 0.78 -2.61 119.26 123.21 3gdf h ALA 38 Ca 0.01 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 3gdf h ALA 38 Cb 0.84 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.52 3gdf h ALA 38 CO 0.07 0.60 -0.43 0.00 0.00 0.00 0.00 179.25 179.49 3gdf h ALA 39 N 1.23 0.09 -0.61 0.00 0.00 -0.86 -2.95 119.26 116.17 3gdf h ALA 39 Ca 0.04 -0.50 0.06 0.00 0.00 0.00 0.00 54.91 54.52 3gdf h ALA 39 Cb 0.80 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 3gdf h ALA 39 CO 0.06 0.24 0.31 0.00 0.00 0.00 0.00 179.25 179.87 3gdf h ARG 40 N -0.19 0.56 -0.43 0.00 3.08 -0.99 0.27 114.38 116.67 3gdf h ARG 40 Ca -0.04 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3gdf h ARG 40 Cb 1.12 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 3gdf h ARG 40 CO 0.09 0.37 0.21 0.78 -1.07 0.00 0.00 179.97 180.34 3gdf h GLY 41 N 0.57 0.67 1.15 0.04 0.00 -1.54 0.13 103.07 104.09 3gdf h GLY 41 Ca 0.28 -0.33 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 3gdf h GLY 41 CO -0.20 0.31 -0.13 0.00 0.00 0.00 0.00 176.54 176.52 3gdf h ALA 43 N 0.96 1.06 -0.89 0.00 0.00 -0.26 -2.25 119.26 117.88 3gdf h ALA 43 Ca 0.13 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3gdf h ALA 43 Cb 0.69 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3gdf h ALA 43 CO 0.05 0.60 0.59 1.49 0.00 0.00 0.00 179.25 181.98 3gdf h GLU 44 N 0.86 1.18 0.00 0.00 4.81 -0.38 0.20 114.58 121.25 3gdf h GLU 44 Ca 0.17 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3gdf h GLU 44 Cb 0.41 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3gdf h GLU 44 CO 0.01 0.78 0.00 -1.33 -0.73 0.00 0.00 179.01 177.74 3gdf n MET 45 N -4.40 0.64 -1.71 1.92 2.81 -0.87 -4.85 117.12 110.66 3gdf n MET 45 Ca 0.10 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.99 3gdf n MET 45 Cb 0.02 -1.32 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 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 0.23 0.71 3.16 3.03 0.00 0.70 -1.63 105.19 111.40 3gdf n GLY 46 Ca 0.10 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.01 1.18 0.10 4.61 0.00 -1.09 -1.83 121.76 121.71 3gdf s ALA 47 Ca 0.01 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.72 3gdf s ALA 47 Cb -0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 23.12 22.94 3gdf s ALA 47 CO 0.02 0.18 1.05 0.00 0.00 0.00 0.00 175.76 177.02 3gdf s ALA 48 N -1.14 3.29 -0.00 0.00 0.00 -0.93 -4.36 121.76 118.62 3gdf s ALA 48 Ca -0.01 0.69 0.07 0.00 0.00 0.00 0.00 51.96 52.71 3gdf s ALA 48 Cb -0.09 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 3gdf s ALA 48 CO 0.02 -0.19 -0.23 0.08 0.00 0.00 0.00 175.76 175.44 3gdf s VAL 49 N 0.30 1.79 -0.17 0.00 1.01 -0.67 -0.93 120.40 121.72 3gdf s VAL 49 Ca 0.51 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3gdf s VAL 49 Cb -0.26 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.65 3gdf s VAL 49 CO 0.31 0.44 -0.17 0.00 0.00 0.00 0.00 175.10 175.68 3gdf s ALA 50 N -0.60 2.17 0.15 5.51 0.00 -0.03 -2.55 121.76 126.41 3gdf s ALA 50 Ca 0.09 -1.13 0.08 0.00 0.00 0.00 0.00 51.96 50.99 3gdf s ALA 50 Cb -0.09 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 3gdf s ALA 50 CO -0.00 -0.41 -0.06 0.96 0.00 0.00 0.00 175.76 176.25 3gdf s ILE 51 N 1.35 3.48 0.27 0.00 -0.00 -0.93 -0.12 121.20 125.25 3gdf s ILE 51 Ca 0.04 -1.44 0.08 0.00 -0.00 0.00 0.00 60.65 59.34 3gdf s ILE 51 Cb -0.13 -2.71 -0.05 0.00 -0.00 0.00 0.00 42.46 39.57 3gdf s ILE 51 CO -0.12 -0.04 -0.11 0.42 -0.00 0.00 0.00 174.94 175.09 3gdf s THR 52 N -1.57 1.89 0.02 8.37 -4.23 -0.72 -1.22 115.64 118.18 3gdf s THR 52 Ca 0.25 -2.20 -0.04 0.00 -1.18 0.00 0.00 61.69 58.51 3gdf s THR 52 Cb -0.10 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.38 3gdf s THR 52 CO 0.16 -0.37 0.07 -0.72 -0.54 0.00 0.00 174.62 173.22 3gdf s TYR 53 N -2.86 0.16 0.07 3.99 -0.85 0.50 -4.45 117.35 113.91 3gdf s TYR 53 Ca 0.28 -0.36 -0.10 0.00 -0.52 0.00 0.00 57.07 56.37 3gdf s TYR 53 Cb 0.01 -0.12 -0.27 0.00 0.38 0.00 0.00 41.96 41.96 3gdf s TYR 53 CO 0.12 -0.27 1.13 0.00 -1.52 0.00 0.00 175.55 175.01 3gdf h ALA 54 N 4.24 0.06 0.00 9.51 0.00 -1.88 -0.12 119.26 131.06 3gdf h ALA 54 Ca -0.32 -0.81 -0.00 0.00 0.00 0.00 0.00 54.91 53.79 3gdf h ALA 54 Cb 1.20 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3gdf h ALA 54 CO 0.43 0.79 -0.00 -1.13 0.00 0.00 0.00 179.25 179.34 3gdf n SER 55 N -3.70 -0.01 -3.28 0.00 3.41 -1.26 -4.75 113.62 104.03 3gdf n SER 55 Ca -0.12 -0.21 -0.31 0.00 -0.26 0.00 0.00 58.87 57.98 3gdf n SER 55 Cb 0.99 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.91 3gdf n SER 55 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3gdf n ARG 56 N 0.00 3.54 -0.14 4.33 0.63 -1.26 -4.89 116.66 118.86 3gdf n ARG 56 Ca -0.00 -4.76 -0.04 0.00 -0.92 0.00 0.00 57.85 52.13 3gdf n ARG 56 Cb 0.11 -2.31 0.05 0.00 0.45 0.00 0.00 32.46 30.76 3gdf n ARG 56 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gdf h ALA 57 N 3.72 0.51 -0.20 5.13 0.00 -1.95 -2.73 119.26 123.74 3gdf h ALA 57 Ca 0.22 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.25 3gdf h ALA 57 Cb 0.52 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 3gdf h ALA 57 CO 0.93 -0.30 -0.52 1.96 0.00 0.00 0.00 179.25 181.32 3gdf h GLN 58 N 0.24 -0.49 -0.26 0.00 7.50 -1.97 0.60 115.11 120.73 3gdf h GLN 58 Ca 0.22 0.03 0.06 0.00 0.50 0.00 0.00 58.65 59.47 3gdf h GLN 58 Cb 0.27 0.11 -0.07 0.00 0.05 0.00 0.00 27.48 27.84 3gdf h GLN 58 CO -0.28 -0.33 -0.23 0.78 -1.50 0.00 0.00 178.83 177.27 3gdf h GLY 59 N -0.51 -0.12 0.88 3.46 0.00 -1.74 -1.78 103.07 103.26 3gdf h GLY 59 Ca 0.04 0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.69 3gdf h GLY 59 CO -0.46 -0.20 0.36 0.00 0.00 0.00 0.00 176.54 176.24 3gdf h ALA 60 N 0.85 0.76 -0.65 3.60 0.00 -1.17 -1.52 119.26 121.13 3gdf h ALA 60 Ca 0.14 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3gdf h ALA 60 Cb 0.45 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3gdf h ALA 60 CO -0.39 0.10 0.43 0.93 0.00 0.00 0.00 179.25 180.31 3gdf h GLU 61 N 0.71 0.64 -0.28 0.00 4.39 -0.39 0.13 114.58 119.79 3gdf h GLU 61 Ca 0.24 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.76 3gdf h GLU 61 Cb 0.02 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 3gdf h GLU 61 CO -0.10 0.43 -0.38 0.93 -1.16 0.00 0.00 179.01 178.73 3gdf h GLU 62 N 0.66 0.66 -0.43 2.33 5.08 -0.47 -2.75 114.58 119.66 3gdf h GLU 62 Ca 0.28 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3gdf h GLU 62 Cb 0.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3gdf h GLU 62 CO -0.09 0.93 0.10 -0.91 -1.00 0.00 0.00 179.01 178.05 3gdf h ASN 63 N 0.54 0.66 -0.04 1.42 -0.26 0.09 -2.35 115.58 115.64 3gdf h ASN 63 Ca 0.05 -0.23 0.03 0.00 -0.56 0.00 0.00 56.30 55.58 3gdf h ASN 63 Cb 0.90 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.95 3gdf h ASN 63 CO 0.08 0.72 -0.12 0.58 -1.06 0.00 0.00 177.43 177.63 3gdf h VAL 64 N 0.57 0.68 -0.01 2.81 2.07 -0.75 -0.71 116.25 120.91 3gdf h VAL 64 Ca 0.14 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.68 3gdf h VAL 64 Cb 0.32 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3gdf h VAL 64 CO 0.00 0.00 -0.18 0.11 0.02 0.00 0.00 177.57 177.52 3gdf h LYS 65 N -0.19 -0.28 -0.62 1.57 1.57 -1.42 -2.23 116.57 114.97 3gdf h LYS 65 Ca 0.06 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3gdf h LYS 65 Cb 0.26 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 3gdf h LYS 65 CO -0.15 -0.19 0.30 0.93 -0.57 0.00 0.00 179.45 179.77 3gdf h GLU 66 N -0.29 0.88 -0.58 3.15 5.08 -1.30 -2.61 114.58 118.91 3gdf h GLU 66 Ca 0.06 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3gdf h GLU 66 Cb 0.37 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3gdf h GLU 66 CO -0.18 0.68 0.33 -0.07 -1.00 0.00 0.00 179.01 178.77 3gdf h LEU 67 N 0.88 0.72 0.18 1.33 3.38 -0.66 -2.57 115.31 118.57 3gdf h LEU 67 Ca 0.22 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3gdf h LEU 67 Cb 0.09 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3gdf h LEU 67 CO -0.03 0.59 -0.09 -0.33 0.09 0.00 0.00 178.44 178.68 3gdf h GLU 68 N 0.78 -0.24 0.00 1.13 5.08 -1.20 -0.72 114.58 119.42 3gdf h GLU 68 Ca 0.21 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3gdf h GLU 68 Cb 0.03 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3gdf h GLU 68 CO -0.03 0.16 -0.01 -0.22 -1.00 0.00 0.00 179.01 177.90 3gdf h LYS 69 N -0.74 0.00 0.00 2.33 3.64 -1.53 0.78 116.57 121.05 3gdf h LYS 69 Ca -0.03 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.07 3gdf h LYS 69 Cb 0.51 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 3gdf h LYS 69 CO 0.04 0.01 -2.14 0.25 -2.27 0.00 0.00 179.45 175.34 3gdf n THR 70 N -3.69 1.17 0.25 1.00 -2.24 -0.97 -4.51 114.28 105.30 3gdf n THR 70 Ca -0.03 -0.78 0.03 0.00 -2.27 0.00 0.00 64.05 61.00 3gdf n THR 70 Cb 0.10 -0.48 0.01 0.00 -2.10 0.00 0.00 70.33 67.85 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 -2.72 0.00 -3.82 4.78 4.01 -0.28 -5.01 117.16 114.12 3gdf n TYR 71 Ca -0.24 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.24 3gdf n TYR 71 Cb 1.02 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 40.07 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 0.61 -0.37 3.23 2.72 0.00 0.27 -4.92 105.19 106.73 3gdf n GLY 72 Ca 0.03 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.54 0.90 0.29 -0.61 -5.25 -1.24 -5.06 121.20 106.69 3gdf s ILE 73 Ca 0.29 -2.00 -0.29 0.00 -0.99 0.00 0.00 60.65 57.66 3gdf s ILE 73 Cb -0.15 -1.91 -0.09 0.00 2.95 0.00 0.00 42.46 43.26 3gdf s ILE 73 CO 0.83 -0.68 1.03 -0.75 -1.79 0.00 0.00 174.94 173.58 3gdf s LYS 74 N -3.82 4.63 -0.00 0.37 2.20 -1.26 -4.29 119.74 117.56 3gdf s LYS 74 Ca 0.18 1.64 -0.14 0.00 -0.36 0.00 0.00 55.97 57.29 3gdf s LYS 74 Cb 0.04 -3.09 0.02 0.00 -1.51 0.00 0.00 37.83 33.29 3gdf s LYS 74 CO 0.00 0.25 0.28 0.00 -0.36 0.00 0.00 175.35 175.53 3gdf s ALA 75 N -1.27 -0.70 -0.23 3.13 0.00 -1.26 -1.67 121.76 119.76 3gdf s ALA 75 Ca 0.46 0.20 -0.26 0.00 0.00 0.00 0.00 51.96 52.36 3gdf s ALA 75 Cb -0.28 0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.04 3gdf s ALA 75 CO 0.35 -0.28 0.72 0.21 0.00 0.00 0.00 175.76 176.76 3gdf s LYS 76 N -1.56 0.87 0.02 0.00 2.20 -1.06 -4.97 119.74 115.24 3gdf s LYS 76 Ca -0.12 0.87 -0.02 0.00 -0.36 0.00 0.00 55.97 56.35 3gdf s LYS 76 Cb -0.05 0.42 -0.04 0.00 -1.51 0.00 0.00 37.83 36.66 3gdf s LYS 76 CO 0.03 -0.14 0.19 0.00 -0.36 0.00 0.00 175.35 175.06 3gdf s ALA 77 N 0.12 3.95 0.06 3.13 0.00 -1.26 -2.20 121.76 125.57 3gdf s ALA 77 Ca -0.02 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.16 3gdf s ALA 77 Cb -0.04 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 3gdf s ALA 77 CO 0.02 0.77 -0.08 0.71 0.00 0.00 0.00 175.76 177.19 3gdf s TYR 78 N -1.39 0.79 -0.19 0.00 1.51 -0.36 -4.97 117.35 112.74 3gdf s TYR 78 Ca 0.30 -0.63 -0.18 0.00 -1.01 0.00 0.00 57.07 55.54 3gdf s TYR 78 Cb -0.13 -0.46 -0.03 0.00 -0.11 0.00 0.00 41.96 41.23 3gdf s TYR 78 CO 0.22 -0.09 0.51 0.21 -1.11 0.00 0.00 175.55 175.29 3gdf s LYS 79 N -2.34 4.20 -0.01 -0.62 2.20 -1.26 -0.37 119.74 121.54 3gdf s LYS 79 Ca -0.02 0.41 -0.00 0.00 -0.36 0.00 0.00 55.97 56.00 3gdf s LYS 79 Cb -0.05 -3.55 0.01 0.00 -1.51 0.00 0.00 37.83 32.73 3gdf s LYS 79 CO -0.01 -0.12 0.02 0.00 -0.36 0.00 0.00 175.35 174.87 3gdf s GLN 81 N 0.34 2.07 0.41 0.00 -1.52 -1.26 -4.08 119.66 115.61 3gdf s GLN 81 Ca -0.03 -1.90 0.10 0.00 -1.95 0.00 0.00 55.36 51.58 3gdf s GLN 81 Cb -0.04 -3.61 0.90 0.00 -0.22 0.00 0.00 33.01 30.04 3gdf s GLN 81 CO -0.01 -1.09 1.99 -0.39 -0.25 0.00 0.00 175.29 175.54 3gdf h VAL 82 N 6.24 0.98 0.00 1.09 -1.51 -1.94 -0.26 116.25 120.85 3gdf h VAL 82 Ca -0.12 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 3gdf h VAL 82 Cb 1.04 0.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.58 3gdf h VAL 82 CO 0.70 0.10 0.00 -0.90 -1.23 0.00 0.00 177.57 176.24 3gdf n ASP 83 N -4.48 0.01 -4.20 4.19 5.75 -1.26 -4.31 116.55 112.26 3gdf n ASP 83 Ca 0.09 0.51 -0.34 0.00 -0.01 0.00 0.00 54.79 55.03 3gdf n ASP 83 Cb 0.26 -0.51 -0.15 0.00 -1.03 0.00 0.00 41.12 39.70 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 -3.02 4.16 0.42 -1.12 0.15 -0.11 -4.92 113.70 109.27 3gdf s SER 84 Ca 0.02 -0.79 0.09 0.00 0.70 0.00 0.00 55.95 55.97 3gdf s SER 84 Cb 0.02 -1.65 0.92 0.00 -1.71 0.00 0.00 66.02 63.61 3gdf s SER 84 CO 0.07 -0.10 2.04 0.22 1.20 0.00 0.00 173.24 176.68 3gdf h TYR 85 N 8.01 0.47 -0.50 3.44 3.20 -1.82 -1.64 116.97 128.13 3gdf h TYR 85 Ca -0.35 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.45 3gdf h TYR 85 Cb 1.12 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 3gdf h TYR 85 CO 0.57 0.28 0.02 0.93 -1.64 0.00 0.00 178.16 178.32 3gdf h GLU 86 N 0.50 0.88 -0.75 1.82 4.39 -1.95 0.25 114.58 119.71 3gdf h GLU 86 Ca 0.17 -0.27 0.04 0.00 0.34 0.00 0.00 59.36 59.65 3gdf h GLU 86 Cb 0.09 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 3gdf h GLU 86 CO -0.04 0.90 0.46 1.03 -1.16 0.00 0.00 179.01 180.20 3gdf h SER 87 N 0.74 0.75 -0.17 1.42 0.87 -1.55 0.20 113.55 115.81 3gdf h SER 87 Ca 0.15 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.62 3gdf h SER 87 Cb 0.49 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 3gdf h SER 87 CO 0.02 0.50 -0.27 0.00 -0.53 0.00 0.00 176.83 176.56 3gdf h GLU 89 N 0.12 0.88 -0.18 0.00 4.81 -0.71 -1.49 114.58 118.02 3gdf h GLU 89 Ca 0.01 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 3gdf h GLU 89 Cb 0.84 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 3gdf h GLU 89 CO 0.06 0.58 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.68 3gdf h LYS 90 N 0.91 0.34 -0.47 1.92 3.64 -0.73 -1.93 116.57 120.24 3gdf h LYS 90 Ca 0.36 -0.12 0.09 0.00 -1.27 0.00 0.00 60.65 59.71 3gdf h LYS 90 Cb 0.22 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.94 3gdf h LYS 90 CO -0.13 0.59 -0.06 1.25 -2.27 0.00 0.00 179.45 178.83 3gdf h LEU 91 N 0.06 -0.32 -0.10 5.20 5.85 -0.40 0.24 115.31 125.84 3gdf h LEU 91 Ca 0.05 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3gdf h LEU 91 Cb 0.45 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 3gdf h LEU 91 CO 0.02 -0.11 0.05 0.58 -0.34 0.00 0.00 178.44 178.64 3gdf h VAL 92 N 0.05 1.09 -0.55 1.05 2.07 -1.24 -0.50 116.25 118.22 3gdf h VAL 92 Ca 0.23 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.59 3gdf h VAL 92 Cb 0.35 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 3gdf h VAL 92 CO -0.44 0.08 0.19 0.50 0.02 0.00 0.00 177.57 177.92 3gdf h LYS 93 N 0.07 0.36 -0.06 1.57 3.64 -0.46 0.45 116.57 122.13 3gdf h LYS 93 Ca 0.04 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3gdf h LYS 93 Cb 0.08 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3gdf h LYS 93 CO -0.01 0.24 0.02 -0.44 -2.27 0.00 0.00 179.45 176.99 3gdf h ASP 94 N 0.37 0.09 -0.09 4.20 3.32 -0.33 -1.93 116.42 122.05 3gdf h ASP 94 Ca 0.27 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3gdf h ASP 94 Cb 0.31 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3gdf h ASP 94 CO -0.28 0.27 0.05 0.58 -1.72 0.00 0.00 179.24 178.14 3gdf h VAL 95 N -0.08 1.01 -0.05 -1.35 2.07 -0.71 -0.17 116.25 116.97 3gdf h VAL 95 Ca 0.02 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.52 3gdf h VAL 95 Cb 0.21 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3gdf h VAL 95 CO -0.00 0.02 0.04 0.58 0.02 0.00 0.00 177.57 178.23 3gdf h VAL 96 N 0.11 0.72 -0.03 2.57 2.07 -0.91 0.21 116.25 120.98 3gdf h VAL 96 Ca 0.03 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.46 3gdf h VAL 96 Cb -0.00 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3gdf h VAL 96 CO -0.02 0.00 -0.36 0.00 0.02 0.00 0.00 177.57 177.22 3gdf h ALA 97 N 1.96 0.09 0.24 1.67 0.00 -0.36 -0.81 119.26 122.04 3gdf h ALA 97 Ca 0.02 -0.48 -0.34 0.00 0.00 0.00 0.00 54.91 54.12 3gdf h ALA 97 Cb 0.11 0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.94 3gdf h ALA 97 CO -0.00 0.19 -1.56 -0.44 0.00 0.00 0.00 179.25 177.44 3gdf h ASP 98 N -0.25 0.79 0.05 0.00 3.32 -0.64 -3.37 116.42 116.31 3gdf h ASP 98 Ca -0.04 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.09 3gdf h ASP 98 Cb 1.05 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.34 3gdf h ASP 98 CO 0.07 1.74 -1.27 0.49 -1.72 0.00 0.00 179.24 178.55 3gdf n PHE 99 N -3.69 0.02 -0.49 4.55 3.72 0.69 -5.00 117.46 117.26 3gdf n PHE 99 Ca -0.19 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 3gdf n PHE 99 Cb 1.10 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 39.46 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 1.42 1.61 0.00 1.37 0.00 -0.31 -4.93 105.19 104.35 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 0.61 0.00 0.00 0.00 173.32 173.93 3gdf n GLN 101 N -2.00 -1.35 -3.64 1.61 10.64 -1.24 -4.94 117.38 116.45 3gdf n GLN 101 Ca 0.00 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 54.99 3gdf n GLN 101 Cb 0.00 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 29.23 3gdf n GLN 101 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 3gdf s ILE 102 N -2.00 -0.25 -0.13 -0.39 1.01 -1.26 -4.61 121.20 113.56 3gdf s ILE 102 Ca 0.00 0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.95 3gdf s ILE 102 Cb 0.00 -0.35 -0.24 0.00 0.01 0.00 0.00 42.46 41.88 3gdf s ILE 102 CO 0.00 0.08 0.30 0.47 0.00 0.00 0.00 174.94 175.79 3gdf n ASP 103 N 5.32 1.50 -3.84 3.58 8.00 0.35 -4.86 116.55 126.61 3gdf n ASP 103 Ca -0.05 0.18 -0.13 0.00 0.71 0.00 0.00 54.79 55.50 3gdf n ASP 103 Cb 0.50 -0.34 -0.14 0.00 -0.02 0.00 0.00 41.12 41.12 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 -2.55 -0.02 -0.11 2.24 0.00 -0.95 -2.04 121.76 118.34 3gdf s ALA 104 Ca -0.18 0.13 0.02 0.00 0.00 0.00 0.00 51.96 51.92 3gdf s ALA 104 Cb 0.07 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.11 3gdf s ALA 104 CO 0.76 -0.04 -0.16 0.12 0.00 0.00 0.00 175.76 176.44 3gdf s PHE 105 N 0.30 2.05 -0.34 0.00 5.36 -0.50 -1.47 117.98 123.39 3gdf s PHE 105 Ca -0.02 -0.94 -0.07 0.00 -0.96 0.00 0.00 56.93 54.93 3gdf s PHE 105 Cb -0.04 -1.45 0.03 0.00 -0.34 0.00 0.00 43.02 41.22 3gdf s PHE 105 CO -0.01 -0.46 0.12 0.42 -1.46 0.00 0.00 175.22 173.83 3gdf s ILE 106 N 0.86 3.95 -0.10 3.12 1.09 0.13 -1.12 121.20 129.14 3gdf s ILE 106 Ca -0.09 -0.99 -0.24 0.00 -1.10 0.00 0.00 60.65 58.23 3gdf s ILE 106 Cb -0.15 -3.19 -0.03 0.00 -1.06 0.00 0.00 42.46 38.02 3gdf s ILE 106 CO 0.00 -0.13 0.74 0.00 -0.10 0.00 0.00 174.94 175.45 3gdf s ALA 107 N 1.45 3.38 -0.26 9.38 0.00 -0.09 -2.94 121.76 132.68 3gdf s ALA 107 Ca -0.00 0.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.05 3gdf s ALA 107 Cb -0.19 -3.04 0.14 0.00 0.00 0.00 0.00 23.12 20.03 3gdf s ALA 107 CO 0.03 -0.27 0.37 1.21 0.00 0.00 0.00 175.76 177.10 3gdf s ASN 108 N 0.93 0.43 -0.28 0.00 3.04 -1.26 -1.09 114.94 116.70 3gdf s ASN 108 Ca 0.38 -0.00 0.01 0.00 0.04 0.00 0.00 52.86 53.29 3gdf s ASN 108 Cb -0.18 1.04 0.16 0.00 -1.54 0.00 0.00 41.25 40.73 3gdf s ASN 108 CO 0.17 -0.32 0.45 0.00 -3.04 0.00 0.00 177.10 174.36 3gdf s ALA 109 N 2.52 -1.49 -0.26 1.71 0.00 -1.26 -3.81 121.76 119.17 3gdf s ALA 109 Ca 0.12 0.70 -0.10 0.00 0.00 0.00 0.00 51.96 52.68 3gdf s ALA 109 Cb -0.15 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 3gdf s ALA 109 CO -0.20 -1.60 0.15 0.20 0.00 0.00 0.00 175.76 174.31 3gdf s GLY 110 N 2.63 1.89 -0.59 0.00 0.00 -1.26 -4.46 107.32 105.53 3gdf s GLY 110 Ca 0.12 -1.06 0.04 0.00 0.00 0.00 0.00 44.72 43.82 3gdf s GLY 110 CO -0.25 0.57 0.35 0.00 0.00 0.00 0.00 173.10 173.76 3gdf s ALA 111 N 1.58 3.48 0.54 3.20 0.00 -1.26 -5.04 121.76 124.26 3gdf s ALA 111 Ca 0.07 -3.48 -0.19 0.00 0.00 0.00 0.00 51.96 48.35 3gdf s ALA 111 Cb -0.15 -2.16 -0.08 0.00 0.00 0.00 0.00 23.12 20.72 3gdf s ALA 111 CO 0.08 -2.05 0.69 0.25 0.00 0.00 0.00 175.76 174.73 3gdf n THR 112 N 2.68 2.55 -3.93 0.00 -2.24 -1.26 -4.76 114.28 107.32 3gdf n THR 112 Ca 0.11 -0.50 -0.35 0.00 -2.27 0.00 0.00 64.05 61.03 3gdf n THR 112 Cb 0.33 -0.83 -0.06 0.00 -2.10 0.00 0.00 70.33 67.67 3gdf n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gdf s ALA 113 N -1.58 3.86 -1.62 6.98 0.00 -1.26 -4.93 121.76 123.20 3gdf s ALA 113 Ca 0.69 -0.71 0.18 0.00 0.00 0.00 0.00 51.96 52.12 3gdf s ALA 113 Cb -0.47 -1.89 0.50 0.00 0.00 0.00 0.00 23.12 21.26 3gdf s ALA 113 CO 0.53 0.67 1.42 -0.40 0.00 0.00 0.00 175.76 177.98 3gdf n ASP 114 N 1.56 3.53 -3.85 0.00 5.75 -1.26 -4.86 116.55 117.43 3gdf n ASP 114 Ca -0.16 -1.99 0.03 0.00 -0.01 0.00 0.00 54.79 52.66 3gdf n ASP 114 Cb 0.54 -0.38 0.01 0.00 -1.03 0.00 0.00 41.12 40.26 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 -1.03 -0.00 0.78 -1.12 1.04 -1.23 -5.01 113.70 107.13 3gdf s SER 115 Ca 0.39 -0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.59 3gdf s SER 115 Cb 0.20 0.09 0.08 0.00 0.10 0.00 0.00 66.02 66.49 3gdf s SER 115 CO 0.27 -0.18 1.14 -0.83 0.98 0.00 0.00 173.24 174.62 3gdf s GLY 116 N -3.71 1.63 0.55 7.32 0.00 -1.26 -4.07 107.32 107.78 3gdf s GLY 116 Ca 0.28 -0.76 0.37 0.00 0.00 0.00 0.00 44.72 44.61 3gdf s GLY 116 CO -0.02 -0.28 2.11 0.16 0.00 0.00 0.00 173.10 175.07 3gdf h ILE 117 N -0.95 0.00 0.07 0.90 3.07 -1.95 -1.60 117.51 117.05 3gdf h ILE 117 Ca -0.45 -0.18 -0.30 0.00 1.55 0.00 0.00 64.86 65.48 3gdf h ILE 117 Cb 1.32 1.09 -0.03 0.00 -0.27 0.00 0.00 36.82 38.93 3gdf h ILE 117 CO 0.63 0.00 -1.60 -0.07 -1.05 0.00 0.00 178.15 176.06 3gdf h LEU 118 N 0.00 0.22 0.03 0.16 4.07 -1.99 -3.37 115.31 114.43 3gdf h LEU 118 Ca 0.00 -0.37 -0.27 0.00 0.08 0.00 0.00 57.88 57.33 3gdf h LEU 118 Cb 0.19 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 41.82 3gdf h LEU 118 CO 0.00 1.31 -1.44 0.44 -1.08 0.00 0.00 178.44 177.68 3gdf h ASP 119 N 0.04 0.09 -4.17 -0.43 3.32 -1.89 -3.46 116.42 109.91 3gdf h ASP 119 Ca -0.26 -0.13 -0.50 0.00 0.02 0.00 0.00 57.03 56.16 3gdf h ASP 119 Cb 1.99 -0.03 0.05 0.00 0.22 0.00 0.00 39.33 41.56 3gdf h ASP 119 CO 0.12 1.11 0.34 -0.83 -1.72 0.00 0.00 179.24 178.27 3gdf s GLY 120 N -4.95 1.63 0.56 2.75 0.00 -0.62 -4.98 107.32 101.71 3gdf s GLY 120 Ca -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 44.72 44.49 3gdf s GLY 120 CO 0.83 0.06 0.80 -1.35 0.00 0.00 0.00 173.10 173.44 3gdf s SER 121 N -4.14 5.32 0.33 1.64 1.04 -1.26 -4.88 113.70 111.76 3gdf s SER 121 Ca 0.53 0.17 0.01 0.00 0.48 0.00 0.00 55.95 57.14 3gdf s SER 121 Cb -0.11 -1.09 0.56 0.00 0.10 0.00 0.00 66.02 65.49 3gdf s SER 121 CO 0.51 -1.13 1.99 0.58 0.98 0.00 0.00 173.24 176.17 3gdf h VAL 122 N 0.00 1.17 -0.09 5.02 2.07 -1.98 -2.04 116.25 120.41 3gdf h VAL 122 Ca -0.43 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3gdf h VAL 122 Cb 1.29 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3gdf h VAL 122 CO 0.55 0.18 0.05 -0.33 0.02 0.00 0.00 177.57 178.03 3gdf h GLU 123 N 0.97 0.10 -0.48 1.57 5.08 -1.99 -0.31 114.58 119.51 3gdf h GLU 123 Ca 0.27 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.70 3gdf h GLU 123 Cb -0.07 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.09 3gdf h GLU 123 CO -0.06 0.07 0.14 0.00 -1.00 0.00 0.00 179.01 178.15 3gdf h ALA 124 N 1.04 0.57 0.26 3.43 0.00 -1.77 -0.56 119.26 122.23 3gdf h ALA 124 Ca 0.03 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3gdf h ALA 124 Cb -0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3gdf h ALA 124 CO -0.02 -0.26 -0.14 2.35 0.00 0.00 0.00 179.25 181.19 3gdf h TRP 125 N 0.30 -0.35 -0.90 0.00 2.91 -1.10 -2.77 115.95 114.03 3gdf h TRP 125 Ca 0.23 -0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.35 3gdf h TRP 125 Cb 0.27 0.12 -0.07 0.00 -0.51 0.00 0.00 29.16 28.98 3gdf h TRP 125 CO -0.18 -0.22 0.58 -0.91 -1.03 0.00 0.00 178.44 176.68 3gdf h ASN 126 N -0.37 0.79 0.04 2.65 2.35 -0.60 -2.05 115.58 118.40 3gdf h ASN 126 Ca -0.03 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3gdf h ASN 126 Cb 0.29 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3gdf h ASN 126 CO 0.05 0.45 -0.02 -0.74 -1.65 0.00 0.00 177.43 175.52 3gdf h HIS 127 N 0.87 -0.05 -0.29 1.19 2.76 -0.89 0.19 115.15 118.93 3gdf h HIS 127 Ca 0.42 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.62 3gdf h HIS 127 Cb 0.46 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.41 3gdf h HIS 127 CO -0.00 0.15 0.14 0.28 -1.30 0.00 0.00 177.93 177.20 3gdf h VAL 128 N -0.24 0.98 -0.39 5.26 2.07 -1.21 -0.55 116.25 122.16 3gdf h VAL 128 Ca -0.01 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3gdf h VAL 128 Cb 0.22 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3gdf h VAL 128 CO 0.01 0.05 0.18 0.58 0.02 0.00 0.00 177.57 178.42 3gdf h VAL 129 N 0.29 1.18 -0.82 2.57 2.07 -1.32 0.36 116.25 120.59 3gdf h VAL 129 Ca 0.12 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.15 3gdf h VAL 129 Cb 0.05 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3gdf h VAL 129 CO -0.09 0.19 0.54 -0.61 0.02 0.00 0.00 177.57 177.62 3gdf h GLN 130 N 0.50 1.06 0.04 1.57 5.75 -0.24 0.11 115.11 123.90 3gdf h GLN 130 Ca 0.13 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.49 3gdf h GLN 130 Cb 0.13 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 28.44 3gdf h GLN 130 CO -0.02 0.70 -0.37 0.28 -2.65 0.00 0.00 178.83 176.78 3gdf h VAL 131 N 1.09 1.63 0.03 2.39 2.07 -0.93 -0.39 116.25 122.14 3gdf h VAL 131 Ca 0.30 -2.39 -0.08 0.00 0.82 0.00 0.00 66.70 65.35 3gdf h VAL 131 Cb -0.11 3.23 0.01 0.00 -1.52 0.00 0.00 31.29 32.90 3gdf h VAL 131 CO -0.07 0.62 -0.33 0.44 0.02 0.00 0.00 177.57 178.25 3gdf h ASP 132 N -0.80 0.24 0.00 0.57 3.45 -0.32 -3.06 116.42 116.50 3gdf h ASP 132 Ca -0.08 -0.86 0.00 0.00 0.43 0.00 0.00 57.03 56.52 3gdf h ASP 132 Cb 1.23 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.92 3gdf h ASP 132 CO 0.03 1.08 -0.02 0.25 -1.57 0.00 0.00 179.24 179.01 3gdf h LEU 133 N -0.57 0.00 -2.02 1.55 5.85 -0.96 -3.30 115.31 115.87 3gdf h LEU 133 Ca -0.05 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.76 3gdf h LEU 133 Cb 1.16 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3gdf h LEU 133 CO 0.06 0.05 0.24 0.78 -0.34 0.00 0.00 178.44 179.23 3gdf h ASN 134 N -0.08 0.00 -0.15 1.25 2.35 -1.26 -1.43 115.58 116.27 3gdf h ASN 134 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3gdf h ASN 134 Cb 0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3gdf h ASN 134 CO 0.00 0.00 0.08 1.23 -1.65 0.00 0.00 177.43 177.09 3gdf h GLY 135 N 0.00 0.22 1.05 2.83 0.00 -0.95 0.19 103.07 106.41 3gdf h GLY 135 Ca 0.15 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 3gdf h GLY 135 CO -0.00 0.10 0.32 -0.84 0.00 0.00 0.00 176.54 176.12 3gdf h THR 136 N 0.13 1.26 -0.78 4.70 2.02 -1.41 -2.15 112.91 116.68 3gdf h THR 136 Ca 0.05 -0.82 0.01 0.00 0.77 0.00 0.00 66.41 66.42 3gdf h THR 136 Cb 0.09 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 3gdf h THR 136 CO -0.01 0.34 0.51 0.15 0.37 0.00 0.00 175.52 176.88 3gdf h PHE 137 N 1.16 0.99 -0.74 3.16 3.57 -0.89 -1.27 116.94 122.91 3gdf h PHE 137 Ca 0.27 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 3gdf h PHE 137 Cb 0.21 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 3gdf h PHE 137 CO 0.02 0.63 0.45 0.45 -2.23 0.00 0.00 178.31 177.63 3gdf h HIS 138 N 1.06 0.97 -0.26 0.41 3.86 -0.03 0.32 115.15 121.48 3gdf h HIS 138 Ca 0.28 -0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.35 3gdf h HIS 138 Cb -0.11 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.03 3gdf h HIS 138 CO -0.02 0.65 -0.42 0.00 0.86 0.00 0.00 177.93 179.00 3gdf h ALA 140 N 1.02 -0.40 -0.24 0.00 0.00 -0.90 -1.19 119.26 117.56 3gdf h ALA 140 Ca 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3gdf h ALA 140 Cb 0.95 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3gdf h ALA 140 CO 0.09 -0.63 0.10 -0.22 0.00 0.00 0.00 179.25 178.59 3gdf h LYS 141 N -0.59 0.35 0.27 0.00 3.64 -0.93 0.24 116.57 119.55 3gdf h LYS 141 Ca -0.04 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3gdf h LYS 141 Cb 0.43 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 3gdf h LYS 141 CO 0.07 0.38 -0.44 0.00 -2.27 0.00 0.00 179.45 177.19 3gdf h ALA 142 N 0.95 -0.88 0.00 5.00 0.00 -0.91 -2.84 119.26 120.58 3gdf h ALA 142 Ca 0.08 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3gdf h ALA 142 Cb 0.16 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3gdf h ALA 142 CO -0.01 -1.05 -0.30 -0.24 0.00 0.00 0.00 179.25 177.65 3gdf h VAL 143 N -0.78 0.67 -0.68 0.00 3.04 -1.22 -3.24 116.25 114.05 3gdf h VAL 143 Ca -0.01 -1.42 0.04 0.00 -1.01 0.00 0.00 66.70 64.29 3gdf h VAL 143 Cb 0.74 1.94 -0.05 0.00 -2.01 0.00 0.00 31.29 31.91 3gdf h VAL 143 CO -0.17 0.30 0.41 1.23 -1.01 0.00 0.00 177.57 178.33 3gdf h GLY 144 N 2.42 0.98 0.84 3.17 0.00 -0.27 -0.46 103.07 109.76 3gdf h GLY 144 Ca -0.00 -0.31 0.08 0.00 0.00 0.00 0.00 47.33 47.10 3gdf h GLY 144 CO 0.04 0.24 0.56 0.45 0.00 0.00 0.00 176.54 177.83 3gdf h HIS 145 N 0.80 0.95 -0.12 5.60 3.86 -1.55 0.14 115.15 124.82 3gdf h HIS 145 Ca 0.28 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.47 3gdf h HIS 145 Cb 0.06 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.22 3gdf h HIS 145 CO -0.05 0.48 -0.09 1.25 0.86 0.00 0.00 177.93 180.38 3gdf h HIS 146 N 0.91 0.31 -0.48 2.45 6.17 -1.34 -2.53 115.15 120.65 3gdf h HIS 146 Ca 0.38 -0.09 0.03 0.00 0.71 0.00 0.00 60.37 61.40 3gdf h HIS 146 Cb 0.29 -0.07 -0.03 0.00 2.52 0.00 0.00 27.41 30.12 3gdf h HIS 146 CO -0.00 0.64 0.27 0.74 0.71 0.00 0.00 177.93 180.29 3gdf h PHE 147 N -0.11 0.50 -0.94 5.26 0.04 -0.48 -1.31 116.94 119.90 3gdf h PHE 147 Ca 0.02 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.84 3gdf h PHE 147 Cb 0.58 -0.16 -0.05 0.00 2.20 0.00 0.00 35.95 38.52 3gdf h PHE 147 CO 0.08 0.28 0.62 -0.22 -0.60 0.00 0.00 178.31 178.46 3gdf h LYS 148 N 0.54 1.15 0.00 1.51 3.64 -0.74 0.55 116.57 123.21 3gdf h LYS 148 Ca 0.20 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 3gdf h LYS 148 Cb 0.05 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 3gdf h LYS 148 CO -0.11 0.76 -0.38 0.93 -2.27 0.00 0.00 179.45 178.39 3gdf h GLU 149 N 1.18 0.00 0.00 1.90 5.08 -0.93 -2.99 114.58 118.82 3gdf h GLU 149 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3gdf h GLU 149 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3gdf h GLU 149 CO -0.11 0.38 -0.94 0.54 -1.00 0.00 0.00 179.01 177.88 3gdf n ARG 150 N -3.70 0.18 -1.45 2.33 1.74 -0.44 -4.95 116.66 110.37 3gdf n ARG 150 Ca -0.01 -0.01 -0.13 0.00 -0.77 0.00 0.00 57.85 56.93 3gdf n ARG 150 Cb 0.47 -1.55 -0.05 0.00 -1.02 0.00 0.00 32.46 30.30 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 1.42 1.31 3.59 -0.13 0.00 0.18 -4.96 105.19 106.59 3gdf n GLY 151 Ca 0.03 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 3gdf n GLY 151 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gdf s THR 152 N -2.51 -0.00 0.00 2.61 -1.32 -0.98 -4.74 115.64 108.70 3gdf s THR 152 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3gdf s THR 152 Cb 0.00 -0.94 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 3gdf s THR 152 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 3gdf n GLY 153 N 3.24 0.45 3.00 6.08 0.00 -1.04 -4.53 105.19 112.39 3gdf n GLY 153 Ca -0.16 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 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 0.23 -0.12 1.61 0.15 -0.86 -1.71 113.70 113.00 3gdf s SER 154 Ca 0.00 0.43 -0.04 0.00 0.70 0.00 0.00 55.95 57.04 3gdf s SER 154 Cb 0.00 1.06 -0.04 0.00 -1.71 0.00 0.00 66.02 65.34 3gdf s SER 154 CO 0.00 -0.28 0.04 -0.22 1.20 0.00 0.00 173.24 173.98 3gdf s LEU 155 N 2.53 3.75 -0.24 3.45 2.96 0.36 -1.41 118.68 130.07 3gdf s LEU 155 Ca 0.07 0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 54.14 3gdf s LEU 155 Cb -0.14 -1.89 0.08 0.00 0.50 0.00 0.00 46.19 44.74 3gdf s LEU 155 CO -0.14 0.33 0.06 -0.69 -1.32 0.00 0.00 176.35 174.59 3gdf s VAL 156 N -0.58 0.69 -0.09 1.68 1.01 -0.27 -2.15 120.40 120.69 3gdf s VAL 156 Ca 0.10 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 3gdf s VAL 156 Cb -0.12 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 3gdf s VAL 156 CO 0.02 -0.40 0.25 0.27 0.00 0.00 0.00 175.10 175.25 3gdf s ILE 157 N 1.75 5.31 -0.59 2.22 -0.00 -0.57 -0.92 121.20 128.40 3gdf s ILE 157 Ca 0.03 0.47 -0.21 0.00 -0.00 0.00 0.00 60.65 60.94 3gdf s ILE 157 Cb -0.17 -3.54 0.07 0.00 -0.00 0.00 0.00 42.46 38.82 3gdf s ILE 157 CO -0.16 0.56 0.81 -0.89 -0.00 0.00 0.00 174.94 175.26 3gdf s THR 158 N -0.73 4.59 0.00 8.37 2.01 -0.25 -2.16 115.64 127.48 3gdf s THR 158 Ca 0.18 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.68 3gdf s THR 158 Cb -0.14 -4.53 0.00 0.00 0.01 0.00 0.00 72.50 67.85 3gdf s THR 158 CO 0.07 -1.18 0.00 0.00 -0.69 0.00 0.00 174.62 172.82 3gdf n ALA 159 N 6.94 0.00 0.00 7.40 0.00 0.93 -4.81 120.51 130.98 3gdf n ALA 159 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3gdf n ALA 159 Cb 0.45 0.00 0.00 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 n SER 160 N 0.00 0.00 0.28 0.00 2.88 -1.24 -4.52 113.62 111.02 3gdf n SER 160 Ca 0.00 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.69 3gdf n SER 160 Cb 0.00 0.00 0.81 0.00 -0.75 0.00 0.00 64.21 64.27 3gdf n SER 160 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gdf h MET 161 N 0.00 0.00 0.00 -1.46 -0.00 -1.52 -0.31 114.93 111.63 3gdf h MET 161 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3gdf h MET 161 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 3gdf h MET 161 CO 0.00 0.08 0.00 0.43 -0.00 0.00 0.00 176.91 177.42 3gdf n SER 162 N -3.48 0.14 -0.00 -0.10 7.64 -1.26 0.30 113.62 116.85 3gdf n SER 162 Ca -0.02 0.56 0.12 0.00 1.01 0.00 0.00 58.87 60.54 3gdf n SER 162 Cb 0.21 -0.58 0.30 0.00 -1.01 0.00 0.00 64.21 63.13 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 -1.20 -1.27 0.15 0.23 0.00 -0.13 -4.17 105.19 98.80 3gdf n GLY 163 Ca 0.00 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.49 0.00 -4.31 1.61 8.25 0.15 -4.39 115.22 115.04 3gdf n HIS 164 Ca 0.06 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.36 3gdf n HIS 164 Cb 0.34 -0.95 -0.05 0.00 1.12 0.00 0.00 29.99 30.45 3gdf n HIS 164 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3gdf n ILE 165 N -3.70 0.00 -4.01 1.59 -0.00 -0.80 -5.14 119.36 107.31 3gdf n ILE 165 Ca -0.48 -1.51 -0.35 0.00 -0.00 0.00 0.00 62.75 60.41 3gdf n ILE 165 Cb 0.92 0.56 -0.14 0.00 -0.00 0.00 0.00 39.64 40.97 3gdf n ILE 165 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3gdf s ALA 166 N -2.71 2.79 0.60 -1.28 0.00 -1.26 -4.43 121.76 115.47 3gdf s ALA 166 Ca 0.14 -1.13 -0.19 0.00 0.00 0.00 0.00 51.96 50.78 3gdf s ALA 166 Cb 0.01 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 3gdf s ALA 166 CO 0.10 -0.34 1.04 0.09 0.00 0.00 0.00 175.76 176.64 3gdf n ASN 167 N 4.63 1.08 -3.91 0.00 4.13 -1.26 -5.03 115.26 114.90 3gdf n ASN 167 Ca -0.18 0.82 -0.12 0.00 1.68 0.00 0.00 54.58 56.78 3gdf n ASN 167 Cb 0.51 -1.42 -0.13 0.00 -1.54 0.00 0.00 39.78 37.19 3gdf n ASN 167 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3gdf s PHE 168 N -1.48 0.12 -0.81 3.10 2.19 -1.26 -4.38 117.98 115.47 3gdf s PHE 168 Ca 0.76 -0.12 0.26 0.00 0.33 0.00 0.00 56.93 58.16 3gdf s PHE 168 Cb -0.41 -0.08 0.68 0.00 -1.31 0.00 0.00 43.02 41.89 3gdf s PHE 168 CO 0.46 -0.04 1.58 -0.35 1.83 0.00 0.00 175.22 178.71 3gdf n PRO 169 N 2.75 0.17 -1.74 10.12 -0.04 -1.26 -4.85 135.00 140.15 3gdf n PRO 169 Ca -0.15 0.09 -0.42 0.00 -0.04 0.00 0.00 63.50 62.98 3gdf n PRO 169 Cb 0.59 -1.64 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 3gdf n PRO 169 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3gdf n GLN 170 N -1.91 2.77 -3.40 0.54 3.00 -1.26 -4.97 117.38 112.14 3gdf n GLN 170 Ca 0.05 0.99 -0.38 0.00 -0.01 0.00 0.00 57.00 57.65 3gdf n GLN 170 Cb 0.40 -2.81 -0.06 0.00 0.00 0.00 0.00 30.24 27.77 3gdf n GLN 170 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 3gdf s GLU 171 N 0.27 4.16 -0.38 -1.09 0.41 -1.26 -4.62 118.70 116.19 3gdf s GLU 171 Ca 0.69 0.43 0.09 0.00 -0.41 0.00 0.00 54.97 55.77 3gdf s GLU 171 Cb -0.49 -3.34 0.37 0.00 -1.78 0.00 0.00 34.13 28.88 3gdf s GLU 171 CO 0.41 0.41 1.36 0.00 -0.49 0.00 0.00 175.26 176.94 3gdf n GLN 172 N 2.81 1.14 -0.31 1.61 10.64 -1.26 -3.57 117.38 128.44 3gdf n GLN 172 Ca -0.10 -1.62 0.15 0.00 -1.83 0.00 0.00 57.00 53.59 3gdf n GLN 172 Cb 0.52 0.04 0.39 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 2.17 0.72 -0.80 -0.39 2.02 -1.94 0.67 112.91 115.37 3gdf h THR 173 Ca -0.32 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 3gdf h THR 173 Cb 1.29 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 3gdf h THR 173 CO -0.10 0.12 0.42 0.77 0.37 0.00 0.00 175.52 177.10 3gdf h SER 174 N 0.64 1.02 -0.35 4.18 4.64 -1.95 0.10 113.55 121.83 3gdf h SER 174 Ca 0.52 -0.11 -0.12 0.00 -0.47 0.00 0.00 61.79 61.61 3gdf h SER 174 Cb 0.96 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 3gdf h SER 174 CO -0.28 0.84 -0.25 0.22 -0.87 0.00 0.00 176.83 176.49 3gdf h TYR 175 N 1.12 0.93 -0.41 4.77 3.20 -1.28 -2.68 116.97 122.63 3gdf h TYR 175 Ca 0.28 -0.25 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 3gdf h TYR 175 Cb 0.07 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 3gdf h TYR 175 CO 0.01 1.02 0.01 -0.91 -1.64 0.00 0.00 178.16 176.65 3gdf h ASN 176 N 0.58 0.70 -0.06 -2.11 2.35 -0.75 -2.34 115.58 113.94 3gdf h ASN 176 Ca 0.07 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 3gdf h ASN 176 Cb 0.81 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.99 3gdf h ASN 176 CO 0.07 0.82 0.04 0.58 -1.65 0.00 0.00 177.43 177.29 3gdf h VAL 177 N 0.55 1.02 0.11 2.81 2.07 -0.84 -0.19 116.25 121.78 3gdf h VAL 177 Ca 0.12 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.62 3gdf h VAL 177 Cb 0.46 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 3gdf h VAL 177 CO 0.02 0.02 -0.32 0.00 0.02 0.00 0.00 177.57 177.31 3gdf h ALA 178 N 1.02 -0.54 -0.69 1.67 0.00 -1.44 -0.26 119.26 119.02 3gdf h ALA 178 Ca 0.02 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3gdf h ALA 178 Cb -0.00 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3gdf h ALA 178 CO -0.00 -0.86 0.45 0.87 0.00 0.00 0.00 179.25 179.71 3gdf h LYS 179 N -0.54 0.64 -0.59 0.00 1.79 -1.28 0.10 116.57 116.69 3gdf h LYS 179 Ca 0.03 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 3gdf h LYS 179 Cb 0.57 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.05 3gdf h LYS 179 CO -0.19 0.42 0.27 0.00 -1.08 0.00 0.00 179.45 178.87 3gdf h ALA 180 N 1.64 0.77 -0.18 3.86 0.00 -0.01 -1.72 119.26 123.62 3gdf h ALA 180 Ca 0.30 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3gdf h ALA 180 Cb 0.33 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3gdf h ALA 180 CO -0.10 0.34 -0.10 0.78 0.00 0.00 0.00 179.25 180.18 3gdf h GLY 181 N 0.81 0.29 1.41 0.00 0.00 0.84 -2.32 103.07 104.12 3gdf h GLY 181 Ca 0.20 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 3gdf h GLY 181 CO -0.02 0.16 -0.10 0.00 0.00 0.00 0.00 176.54 176.58 3gdf h ILE 183 N 0.64 1.31 0.00 0.00 2.04 -0.78 -2.82 117.51 117.91 3gdf h ILE 183 Ca 0.11 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.72 3gdf h ILE 183 Cb 0.54 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 3gdf h ILE 183 CO 0.03 0.39 0.00 -0.74 0.00 0.00 0.00 178.15 177.83 3gdf h HIS 184 N 0.22 0.00 -0.33 1.37 2.76 -1.48 -2.74 115.15 114.94 3gdf h HIS 184 Ca 0.05 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.13 3gdf h HIS 184 Cb 0.67 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.61 3gdf h HIS 184 CO 0.07 0.00 -0.16 1.98 -1.30 0.00 0.00 177.93 178.52 3gdf h MET 185 N 0.00 0.60 -0.43 5.26 -1.53 -0.88 0.18 114.93 118.14 3gdf h MET 185 Ca 0.00 -0.20 -0.07 0.00 -3.44 0.00 0.00 59.70 55.98 3gdf h MET 185 Cb 0.72 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.71 3gdf h MET 185 CO 0.00 0.74 -0.03 0.00 0.14 0.00 0.00 176.91 177.76 3gdf h ALA 186 N 1.28 0.58 -0.16 0.39 0.00 -1.25 0.03 119.26 120.13 3gdf h ALA 186 Ca 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3gdf h ALA 186 Cb 0.59 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3gdf h ALA 186 CO 0.04 0.39 0.02 0.00 0.00 0.00 0.00 179.25 179.70 3gdf h ARG 187 N 0.60 0.27 -0.43 0.00 3.08 -1.38 -0.27 114.38 116.24 3gdf h ARG 187 Ca 0.12 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3gdf h ARG 187 Cb 0.53 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 3gdf h ARG 187 CO 0.03 0.45 0.19 1.03 -1.07 0.00 0.00 179.97 180.60 3gdf h SER 188 N 0.05 0.58 0.04 7.04 0.87 -0.58 -2.75 113.55 118.79 3gdf h SER 188 Ca 0.05 -0.14 -0.11 0.00 -1.23 0.00 0.00 61.79 60.36 3gdf h SER 188 Cb 0.31 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 3gdf h SER 188 CO 0.00 0.56 -0.33 -0.07 -0.53 0.00 0.00 176.83 176.46 3gdf h LEU 189 N 0.56 0.44 -1.18 2.23 3.38 -0.94 -0.10 115.31 119.70 3gdf h LEU 189 Ca 0.15 -0.17 0.13 0.00 0.09 0.00 0.00 57.88 58.08 3gdf h LEU 189 Cb 0.15 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 3gdf h LEU 189 CO -0.02 0.74 0.59 0.00 0.09 0.00 0.00 178.44 179.85 3gdf h ALA 190 N 1.28 1.69 0.06 1.53 0.00 -0.75 0.48 119.26 123.55 3gdf h ALA 190 Ca 0.04 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3gdf h ALA 190 Cb 0.76 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.40 3gdf h ALA 190 CO 0.06 0.07 -0.48 -0.97 0.00 0.00 0.00 179.25 177.93 3gdf h ASN 191 N 0.82 0.31 -0.48 0.00 -1.24 -1.24 -2.31 115.58 111.45 3gdf h ASN 191 Ca 0.46 -0.91 0.05 0.00 0.71 0.00 0.00 56.30 56.62 3gdf h ASN 191 Cb 0.59 -0.10 -0.05 0.00 0.73 0.00 0.00 38.32 39.50 3gdf h ASN 191 CO -0.22 1.19 0.21 -0.08 -1.29 0.00 0.00 177.43 177.24 3gdf h GLU 192 N -0.52 0.41 -0.17 6.67 4.81 -0.13 -2.29 114.58 123.36 3gdf h GLU 192 Ca -0.08 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3gdf h GLU 192 Cb 1.32 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3gdf h GLU 192 CO 0.09 0.27 0.00 0.91 -0.73 0.00 0.00 179.01 179.55 3gdf n TRP 193 N -4.94 0.21 -0.22 0.92 8.01 0.16 -4.63 117.44 116.94 3gdf n TRP 193 Ca 0.04 -0.11 0.22 0.00 -1.31 0.00 0.00 57.50 56.34 3gdf n TRP 193 Cb 0.16 0.00 0.39 0.00 -2.01 0.00 0.00 31.31 29.85 3gdf n TRP 193 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.69 179.57 3gdf n ARG 194 N 0.35 -0.04 0.00 -0.99 1.85 -0.86 0.34 116.66 117.31 3gdf n ARG 194 Ca 0.16 0.86 0.13 0.00 -1.00 0.00 0.00 57.85 58.00 3gdf n ARG 194 Cb 0.34 -1.58 0.63 0.00 -1.05 0.00 0.00 32.46 30.80 3gdf n ARG 194 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3gdf n ASP 195 N -4.34 0.00 0.00 2.89 10.43 -1.26 -4.38 116.55 119.88 3gdf n ASP 195 Ca 0.25 0.05 0.00 0.00 2.57 0.00 0.00 54.79 57.66 3gdf n ASP 195 Cb 0.86 -0.34 0.00 0.00 1.84 0.00 0.00 41.12 43.48 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 -1.34 0.00 -3.51 1.24 -1.74 0.15 -2.00 117.46 110.27 3gdf n PHE 196 Ca 0.11 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.85 3gdf n PHE 196 Cb 0.23 0.01 -0.05 0.00 1.52 0.00 0.00 39.48 41.19 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 0.00 -1.61 0.09 1.98 0.00 -0.85 -2.32 121.76 119.05 3gdf s ALA 197 Ca 0.00 0.91 -0.00 0.00 0.00 0.00 0.00 51.96 52.86 3gdf s ALA 197 Cb 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 3gdf s ALA 197 CO 0.00 -0.51 0.25 1.03 0.00 0.00 0.00 175.76 176.53 3gdf s ARG 198 N -2.20 3.47 0.00 0.00 0.52 -0.69 -4.33 118.95 115.72 3gdf s ARG 198 Ca -0.06 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 54.74 3gdf s ARG 198 Cb -0.01 -2.99 -0.00 0.00 0.52 0.00 0.00 34.95 32.47 3gdf s ARG 198 CO 0.01 0.57 -0.01 0.08 0.02 0.00 0.00 175.30 175.96 3gdf s VAL 199 N -1.58 0.06 0.19 3.52 1.01 -1.26 -0.49 120.40 121.85 3gdf s VAL 199 Ca 0.36 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 62.02 3gdf s VAL 199 Cb -0.12 -0.07 0.05 0.00 0.00 0.00 0.00 36.38 36.23 3gdf s VAL 199 CO 0.28 -0.03 0.62 0.20 0.00 0.00 0.00 175.10 176.17 3gdf s ASN 200 N -0.14 -0.45 0.12 3.32 0.01 -0.92 0.89 114.94 117.78 3gdf s ASN 200 Ca -0.01 -0.21 0.06 0.00 -0.71 0.00 0.00 52.86 51.98 3gdf s ASN 200 Cb -0.01 0.63 -0.04 0.00 0.41 0.00 0.00 41.25 42.24 3gdf s ASN 200 CO -0.00 -1.07 -0.14 -0.94 -1.51 0.00 0.00 177.10 173.43 3gdf s SER 201 N -2.81 2.01 -0.05 -1.22 1.04 -0.28 -1.51 113.70 110.88 3gdf s SER 201 Ca 0.04 -0.78 0.06 0.00 0.48 0.00 0.00 55.95 55.75 3gdf s SER 201 Cb -0.02 -0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.01 3gdf s SER 201 CO -0.07 -0.12 -0.25 -0.63 0.98 0.00 0.00 173.24 173.15 3gdf s ILE 202 N -1.99 2.08 -0.57 -1.02 1.09 -0.92 -1.37 121.20 118.51 3gdf s ILE 202 Ca 0.08 -1.06 0.03 0.00 -1.10 0.00 0.00 60.65 58.59 3gdf s ILE 202 Cb -0.06 -1.75 0.14 0.00 -1.06 0.00 0.00 42.46 39.74 3gdf s ILE 202 CO 0.03 0.57 0.34 -0.44 -0.10 0.00 0.00 174.94 175.34 3gdf s SER 203 N -0.23 4.59 0.24 3.58 0.01 0.24 -0.05 113.70 122.09 3gdf s SER 203 Ca -0.01 -3.11 -0.30 0.00 1.31 0.00 0.00 55.95 53.83 3gdf s SER 203 Cb -0.13 -1.69 -0.10 0.00 0.21 0.00 0.00 66.02 64.31 3gdf s SER 203 CO 0.03 -0.24 1.40 -2.84 0.41 0.00 0.00 173.24 172.01 3gdf s PRO 204 N -0.43 4.30 0.00 12.44 0.02 -1.26 -2.30 135.00 147.77 3gdf s PRO 204 Ca 0.18 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.44 3gdf s PRO 204 Cb -0.22 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.17 3gdf s PRO 204 CO -0.03 -0.37 0.00 0.41 -0.33 0.00 0.00 177.00 176.68 3gdf n GLY 205 N 2.18 1.20 3.57 0.52 0.00 -0.31 -2.12 105.19 110.22 3gdf n GLY 205 Ca 0.06 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 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 1.93 2.30 -0.12 1.61 2.02 -1.26 -4.89 117.35 118.93 3gdf s TYR 206 Ca 0.00 0.31 -0.01 0.00 -0.37 0.00 0.00 57.07 57.01 3gdf s TYR 206 Cb 0.00 -4.47 -0.02 0.00 -0.40 0.00 0.00 41.96 37.07 3gdf s TYR 206 CO 0.00 -1.96 -0.11 0.42 -1.57 0.00 0.00 175.55 172.34 3gdf s ILE 207 N 5.97 3.29 -0.43 2.71 1.09 -1.26 0.21 121.20 132.79 3gdf s ILE 207 Ca 0.46 -0.58 -0.21 0.00 -1.10 0.00 0.00 60.65 59.21 3gdf s ILE 207 Cb -0.09 -2.39 0.02 0.00 -1.06 0.00 0.00 42.46 38.94 3gdf s ILE 207 CO 0.21 0.53 0.68 -0.62 -0.10 0.00 0.00 174.94 175.64 3gdf s ASP 208 N 0.15 6.36 -0.17 3.58 2.15 0.75 -4.87 116.67 124.62 3gdf s ASP 208 Ca -0.05 -0.22 0.16 0.00 0.43 0.00 0.00 52.55 52.86 3gdf s ASP 208 Cb -0.15 -2.34 0.57 0.00 -0.30 0.00 0.00 42.92 40.71 3gdf s ASP 208 CO 0.04 -0.79 1.48 0.35 -0.17 0.00 0.00 175.17 176.08 3gdf n THR 209 N 5.90 2.21 -0.58 1.71 -2.24 -1.26 -4.37 114.28 115.65 3gdf n THR 209 Ca -0.01 -1.67 0.00 0.00 -2.27 0.00 0.00 64.05 60.11 3gdf n THR 209 Cb 0.48 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.11 1.51 0.01 3.38 0.00 -1.26 -4.61 105.19 104.11 3gdf n GLY 210 Ca 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.01 0.89 0.18 0.99 4.77 -1.26 -4.79 117.00 117.77 3gdf n LEU 211 Ca 0.00 -0.92 0.09 0.00 -0.03 0.00 0.00 56.01 55.14 3gdf n LEU 211 Cb 0.14 -0.01 0.47 0.00 -2.33 0.00 0.00 43.42 41.69 3gdf n LEU 211 CO 0.00 0.23 0.83 0.77 -1.33 0.00 0.00 177.39 177.89 3gdf h SER 212 N 0.00 0.00 0.81 -1.43 4.64 -1.95 -0.37 113.55 115.25 3gdf h SER 212 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gdf h SER 212 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3gdf h SER 212 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 3gdf n ASP 213 N -2.18 0.05 0.17 4.97 9.92 -1.26 -2.63 116.55 125.59 3gdf n ASP 213 Ca -0.01 0.51 0.12 0.00 -0.53 0.00 0.00 54.79 54.88 3gdf n ASP 213 Cb 0.24 -0.52 0.17 0.00 -0.64 0.00 0.00 41.12 40.37 3gdf n ASP 213 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 3gdf h PHE 214 N 0.00 0.00 -3.17 1.24 -1.00 -1.46 -3.45 116.94 109.10 3gdf h PHE 214 Ca 0.00 0.00 -0.62 0.00 2.81 0.00 0.00 57.97 60.16 3gdf h PHE 214 Cb 0.40 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 39.84 3gdf h PHE 214 CO 0.00 0.00 -0.51 0.08 -1.61 0.00 0.00 178.31 176.27 3gdf s VAL 215 N -3.22 5.26 0.24 -0.55 1.01 -1.08 -5.06 120.40 117.00 3gdf s VAL 215 Ca 0.06 0.13 -0.31 0.00 0.00 0.00 0.00 61.98 61.86 3gdf s VAL 215 Cb 0.07 -3.37 -0.13 0.00 0.00 0.00 0.00 36.38 32.95 3gdf s VAL 215 CO 0.69 0.48 1.42 -2.65 0.00 0.00 0.00 175.10 175.03 3gdf n PRO 216 N 3.22 2.05 -0.32 2.72 -0.02 -1.26 -4.80 135.00 136.59 3gdf n PRO 216 Ca -0.17 0.73 0.21 0.00 -2.02 0.00 0.00 63.50 62.25 3gdf n PRO 216 Cb 0.53 -2.39 0.48 0.00 -0.02 0.00 0.00 33.50 32.09 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 4.27 0.44 0.00 -0.52 1.79 -1.96 0.40 116.57 121.00 3gdf h LYS 217 Ca -0.45 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 57.94 3gdf h LYS 217 Cb 1.27 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.82 3gdf h LYS 217 CO 0.76 0.29 -0.27 0.93 -1.08 0.00 0.00 179.45 180.08 3gdf h GLU 218 N 0.45 0.00 0.00 3.15 5.08 -2.01 -2.60 114.58 118.65 3gdf h GLU 218 Ca 0.58 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.79 3gdf h GLU 218 Cb 1.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 3gdf h GLU 218 CO -0.30 0.27 -0.88 1.15 -1.00 0.00 0.00 179.01 178.25 3gdf h THR 219 N 0.00 0.98 -0.45 1.13 2.02 -0.57 -3.13 112.91 112.89 3gdf h THR 219 Ca -0.00 -2.48 -0.12 0.00 0.77 0.00 0.00 66.41 64.58 3gdf h THR 219 Cb 0.49 2.44 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 3gdf h THR 219 CO 0.04 0.56 -0.21 1.56 0.37 0.00 0.00 175.52 177.83 3gdf h GLN 220 N 0.00 0.91 -0.39 6.66 4.20 -0.97 -2.54 115.11 122.97 3gdf h GLN 220 Ca -0.05 -0.38 -0.11 0.00 0.06 0.00 0.00 58.65 58.17 3gdf h GLN 220 Cb 1.55 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.28 3gdf h GLN 220 CO 0.08 1.03 -0.19 1.96 -0.67 0.00 0.00 178.83 181.03 3gdf h GLN 221 N 0.79 0.82 -0.54 1.46 4.20 -1.56 -1.97 115.11 118.31 3gdf h GLN 221 Ca 0.11 -0.36 0.03 0.00 0.06 0.00 0.00 58.65 58.49 3gdf h GLN 221 Cb 0.76 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 3gdf h GLN 221 CO 0.06 0.99 0.30 1.25 -0.67 0.00 0.00 178.83 180.77 3gdf h LEU 222 N 0.62 0.47 0.08 1.46 5.85 -1.48 -2.17 115.31 120.15 3gdf h LEU 222 Ca 0.09 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3gdf h LEU 222 Cb 0.75 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3gdf h LEU 222 CO 0.06 0.33 -0.04 -0.50 -0.34 0.00 0.00 178.44 177.95 3gdf h TRP 223 N 0.60 -0.10 -0.67 1.25 6.55 -1.32 -2.93 115.95 119.32 3gdf h TRP 223 Ca 0.23 -0.00 0.13 0.00 0.95 0.00 0.00 58.89 60.20 3gdf h TRP 223 Cb 0.08 0.03 -0.04 0.00 -0.86 0.00 0.00 29.16 28.37 3gdf h TRP 223 CO -0.08 0.02 0.46 0.45 -1.05 0.00 0.00 178.44 178.24 3gdf h HIS 224 N -0.21 0.40 0.00 0.49 3.86 -1.10 0.41 115.15 119.00 3gdf h HIS 224 Ca -0.01 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 3gdf h HIS 224 Cb 0.17 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 3gdf h HIS 224 CO -0.04 0.16 -0.34 0.66 0.86 0.00 0.00 177.93 179.23 3gdf h SER 225 N 0.35 0.00 0.82 2.45 4.64 -1.22 -2.57 113.55 118.02 3gdf h SER 225 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3gdf h SER 225 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 3gdf h SER 225 CO -0.09 0.34 -0.28 0.23 -0.87 0.00 0.00 176.83 176.16 3gdf n MET 226 N -3.54 0.06 -3.37 4.77 2.00 0.14 -4.70 117.12 112.48 3gdf n MET 226 Ca -0.00 0.03 -0.41 0.00 0.00 0.00 0.00 57.70 57.32 3gdf n MET 226 Cb 0.48 -1.55 -0.09 0.00 0.00 0.00 0.00 33.22 32.06 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 -3.03 5.14 0.44 2.02 -1.09 -0.67 -4.72 121.20 119.29 3gdf s ILE 227 Ca 0.11 0.06 0.16 0.00 -2.23 0.00 0.00 60.65 58.75 3gdf s ILE 227 Cb 0.17 -3.86 0.35 0.00 -1.58 0.00 0.00 42.46 37.53 3gdf s ILE 227 CO 0.63 -0.14 1.96 1.55 -1.23 0.00 0.00 174.94 177.71 3gdf h PRO 228 N 8.48 0.36 0.00 2.79 0.13 -1.82 1.06 132.00 143.01 3gdf h PRO 228 Ca -0.29 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3gdf h PRO 228 Cb 1.14 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3gdf h PRO 228 CO 0.71 0.24 0.00 -0.12 -0.23 0.00 0.00 178.00 178.60 3gdf n MET 229 N -4.46 0.20 -3.50 0.86 1.56 -1.12 -4.90 117.12 105.76 3gdf n MET 229 Ca 0.12 0.08 -0.26 0.00 -0.27 0.00 0.00 57.70 57.37 3gdf n MET 229 Cb 0.46 -1.50 0.03 0.00 2.15 0.00 0.00 33.22 34.35 3gdf n MET 229 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3gdf n GLY 230 N 0.78 -0.51 3.81 -5.12 0.00 0.37 -4.96 105.19 99.55 3gdf n GLY 230 Ca 0.09 0.16 -0.06 0.00 0.00 0.00 0.00 46.02 46.21 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 -6.19 1.56 0.38 1.61 1.70 -1.26 -4.94 118.95 111.82 3gdf s ARG 231 Ca 0.49 -0.86 -0.05 0.00 -0.47 0.00 0.00 55.73 54.84 3gdf s ARG 231 Cb -0.24 0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 3gdf s ARG 231 CO 0.61 -0.71 0.67 -0.51 -1.08 0.00 0.00 175.30 174.28 3gdf s ASP 232 N -2.92 6.38 0.56 -2.89 1.01 -1.26 -4.97 116.67 112.58 3gdf s ASP 232 Ca 0.11 0.83 -0.01 0.00 0.71 0.00 0.00 52.55 54.20 3gdf s ASP 232 Cb -0.04 -2.20 0.03 0.00 1.01 0.00 0.00 42.92 41.72 3gdf s ASP 232 CO 0.05 -0.38 0.81 -0.83 0.21 0.00 0.00 175.17 175.03 3gdf s GLY 233 N -3.59 1.74 0.04 0.21 0.00 0.13 -4.85 107.32 100.99 3gdf s GLY 233 Ca 0.46 -1.16 0.08 0.00 0.00 0.00 0.00 44.72 44.10 3gdf s GLY 233 CO 0.36 -0.88 -0.24 1.08 0.00 0.00 0.00 173.10 173.42 3gdf s LEU 234 N -4.82 2.30 0.30 0.66 1.43 -1.26 -0.18 118.68 117.11 3gdf s LEU 234 Ca 0.56 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 53.18 3gdf s LEU 234 Cb -0.10 -1.36 0.74 0.00 0.03 0.00 0.00 46.19 45.49 3gdf s LEU 234 CO 0.40 0.26 1.74 0.00 0.23 0.00 0.00 176.35 178.98 3gdf h ALA 235 N 4.77 1.57 0.00 4.21 0.00 -1.82 0.51 119.26 128.49 3gdf h ALA 235 Ca -0.47 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3gdf h ALA 235 Cb 1.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3gdf h ALA 235 CO 0.45 -0.20 0.00 0.36 0.00 0.00 0.00 179.25 179.86 3gdf n LYS 236 N -4.89 0.04 -0.23 0.00 2.85 -1.26 -1.38 118.16 113.29 3gdf n LYS 236 Ca 0.23 0.32 0.07 0.00 -1.05 0.00 0.00 58.31 57.88 3gdf n LYS 236 Cb 0.62 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 33.70 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 -1.38 2.05 -0.00 -1.58 1.02 0.18 -3.93 120.64 116.99 3gdf n GLU 237 Ca 0.02 -1.62 0.00 0.00 -0.02 0.00 0.00 57.16 55.53 3gdf n GLU 237 Cb 0.05 -1.36 -0.00 0.00 -0.02 0.00 0.00 31.44 30.11 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 0.82 0.00 -0.23 -4.62 4.77 -0.48 -4.75 117.00 112.52 3gdf n LEU 238 Ca 0.15 -0.05 0.13 0.00 -0.03 0.00 0.00 56.01 56.21 3gdf n LEU 238 Cb 0.38 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 41.90 3gdf n LEU 238 CO 0.10 0.00 1.22 0.07 -1.33 0.00 0.00 177.39 177.45 3gdf h LYS 239 N 0.00 0.57 -0.57 3.23 2.10 -1.68 -1.12 116.57 119.10 3gdf h LYS 239 Ca 0.00 -0.03 -0.04 0.00 -2.00 0.00 0.00 60.65 58.58 3gdf h LYS 239 Cb 0.01 -0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 31.18 3gdf h LYS 239 CO 0.00 0.38 0.22 0.78 -2.00 0.00 0.00 179.45 178.82 3gdf h GLY 240 N 0.59 0.92 1.04 0.07 0.00 -1.85 0.25 103.07 104.08 3gdf h GLY 240 Ca 0.42 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 47.13 3gdf h GLY 240 CO -0.17 0.48 -0.12 0.00 0.00 0.00 0.00 176.54 176.73 3gdf h ALA 241 N 1.07 0.63 0.02 3.60 0.00 -1.56 0.41 119.26 123.43 3gdf h ALA 241 Ca 0.19 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3gdf h ALA 241 Cb 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3gdf h ALA 241 CO -0.01 0.54 -0.01 1.88 0.00 0.00 0.00 179.25 181.65 3gdf h TYR 242 N 0.73 -0.02 -0.45 0.00 0.99 -1.09 -0.30 116.97 116.83 3gdf h TYR 242 Ca 0.12 -0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.77 3gdf h TYR 242 Cb 0.67 0.01 -0.02 0.00 1.00 0.00 0.00 36.73 38.38 3gdf h TYR 242 CO 0.05 0.02 -0.03 0.28 -0.00 0.00 0.00 178.16 178.48 3gdf h VAL 243 N -0.06 1.24 -0.08 -2.88 2.07 -0.86 0.08 116.25 115.77 3gdf h VAL 243 Ca -0.00 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.53 3gdf h VAL 243 Cb 0.05 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3gdf h VAL 243 CO 0.00 0.36 -0.14 0.22 0.02 0.00 0.00 177.57 178.03 3gdf h TYR 244 N 0.70 -0.36 -0.03 1.57 3.20 0.34 -0.69 116.97 121.70 3gdf h TYR 244 Ca 0.13 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.87 3gdf h TYR 244 Cb 0.47 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 3gdf h TYR 244 CO 0.02 -0.21 -0.67 0.74 -1.64 0.00 0.00 178.16 176.41 3gdf h PHE 245 N -0.20 0.15 0.00 -3.82 0.04 -0.82 -3.27 116.94 109.03 3gdf h PHE 245 Ca 0.07 -0.07 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 3gdf h PHE 245 Cb 0.30 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 3gdf h PHE 245 CO -0.24 0.75 -0.30 0.00 -0.60 0.00 0.00 178.31 177.92 3gdf h ALA 246 N 1.24 0.86 -4.42 2.45 0.00 -0.70 -3.47 119.26 115.22 3gdf h ALA 246 Ca -0.01 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 3gdf h ALA 246 Cb 1.19 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.95 3gdf h ALA 246 CO 0.09 0.38 0.02 -1.13 0.00 0.00 0.00 179.25 178.61 3gdf n SER 247 N -3.25 0.50 -0.37 0.00 3.41 -0.29 -4.81 113.62 108.81 3gdf n SER 247 Ca 0.02 -1.39 0.06 0.00 -0.26 0.00 0.00 58.87 57.30 3gdf n SER 247 Cb 0.59 -0.17 0.24 0.00 -0.26 0.00 0.00 64.21 64.60 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 1.10 -0.06 4.04 9.92 -0.49 -3.79 116.55 124.36 3gdf n ASP 248 Ca 0.05 -1.83 0.06 0.00 -0.53 0.00 0.00 54.79 52.54 3gdf n ASP 248 Cb 0.18 -0.11 0.33 0.00 -0.64 0.00 0.00 41.12 40.88 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 0.03 2.56 -2.74 2.24 0.00 -1.19 -3.64 120.51 117.78 3gdf n ALA 249 Ca 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 3gdf n ALA 249 Cb 0.20 -1.17 0.09 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.56 -0.13 0.00 0.00 3.41 -1.25 -4.97 113.62 110.12 3gdf n SER 250 Ca 0.09 -2.20 0.06 0.00 -0.26 0.00 0.00 58.87 56.56 3gdf n SER 250 Cb 0.07 0.18 0.34 0.00 -0.26 0.00 0.00 64.21 64.54 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 -1.00 0.08 -0.17 6.66 -2.24 -1.24 -1.79 114.28 114.59 3gdf n THR 251 Ca -0.05 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3gdf n THR 251 Cb 0.84 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.03 0.00 -3.70 4.78 9.36 -1.26 -4.71 117.16 120.60 3gdf n TYR 252 Ca 0.08 -0.14 -0.38 0.00 3.32 0.00 0.00 57.90 60.78 3gdf n TYR 252 Cb 0.05 -0.01 -0.12 0.00 -0.63 0.00 0.00 39.34 38.62 3gdf n TYR 252 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 3gdf s THR 253 N -0.28 4.30 -0.10 2.97 -1.32 -0.74 -5.05 115.64 115.42 3gdf s THR 253 Ca 0.00 -0.61 -0.09 0.00 -1.21 0.00 0.00 61.69 59.79 3gdf s THR 253 Cb 0.00 -3.23 0.03 0.00 -1.51 0.00 0.00 72.50 67.79 3gdf s THR 253 CO 0.00 0.03 0.26 0.28 -2.21 0.00 0.00 174.62 172.99 3gdf s THR 254 N 1.55 -0.01 0.00 5.08 -1.32 -1.26 -4.74 115.64 114.95 3gdf s THR 254 Ca 0.03 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 3gdf s THR 254 Cb -0.17 -0.38 0.00 0.00 -1.51 0.00 0.00 72.50 70.44 3gdf s THR 254 CO 0.04 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 3gdf n GLY 255 N 3.13 0.44 3.62 6.08 0.00 0.26 -4.94 105.19 113.77 3gdf n GLY 255 Ca -0.15 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.00 3.14 -0.02 4.61 0.00 -1.26 -4.66 121.76 121.57 3gdf s ALA 256 Ca 0.00 -1.85 0.03 0.00 0.00 0.00 0.00 51.96 50.14 3gdf s ALA 256 Cb 0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 23.12 22.62 3gdf s ALA 256 CO 0.00 0.15 -0.10 0.34 0.00 0.00 0.00 175.76 176.15 3gdf s ASP 257 N -3.68 1.30 -0.21 0.00 -1.08 -1.26 -1.12 116.67 110.62 3gdf s ASP 257 Ca 0.33 -0.20 0.00 0.00 -0.52 0.00 0.00 52.55 52.16 3gdf s ASP 257 Cb -0.03 -0.24 0.02 0.00 -1.46 0.00 0.00 42.92 41.21 3gdf s ASP 257 CO 0.19 0.11 -0.14 -0.22 0.52 0.00 0.00 175.17 175.62 3gdf s LEU 258 N -0.05 2.60 -0.11 -1.34 2.96 -0.47 -4.99 118.68 117.28 3gdf s LEU 258 Ca 0.01 -0.77 -0.22 0.00 -0.22 0.00 0.00 54.13 52.93 3gdf s LEU 258 Cb -0.06 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 3gdf s LEU 258 CO 0.00 -0.05 0.66 -0.76 -1.32 0.00 0.00 176.35 174.88 3gdf s LEU 259 N 1.29 4.26 -0.60 -0.68 1.43 -1.26 -0.59 118.68 122.53 3gdf s LEU 259 Ca 0.02 1.05 0.05 0.00 -1.03 0.00 0.00 54.13 54.22 3gdf s LEU 259 Cb -0.15 -3.00 0.17 0.00 0.03 0.00 0.00 46.19 43.25 3gdf s LEU 259 CO -0.09 -0.16 0.45 -0.38 0.23 0.00 0.00 176.35 176.40 3gdf n ILE 260 N 4.07 0.62 -2.05 -0.59 -0.00 -0.97 -4.90 119.36 115.53 3gdf n ILE 260 Ca -0.02 -4.36 0.05 0.00 -0.00 0.00 0.00 62.75 58.42 3gdf n ILE 260 Cb 0.51 -1.99 0.09 0.00 -0.00 0.00 0.00 39.64 38.24 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 2.22 1.22 -1.44 4.38 5.75 -1.26 -1.16 116.55 126.26 3gdf n ASP 261 Ca 0.24 -2.70 -0.17 0.00 -0.01 0.00 0.00 54.79 52.15 3gdf n ASP 261 Cb 0.40 -0.37 -0.07 0.00 -1.03 0.00 0.00 41.12 40.05 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 -0.22 1.57 1.24 6.12 0.00 -1.26 -0.90 105.19 111.74 3gdf n GLY 262 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.27 0.70 0.37 -0.02 0.00 -1.26 -2.79 105.19 101.91 3gdf n GLY 263 Ca -0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 0.98 0.00 1.61 5.03 -1.30 -1.24 116.97 122.05 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 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 37.98 3gdf h TYR 264 CO 0.00 0.29 0.00 0.25 -1.32 0.00 0.00 178.16 177.38 3gdf n THR 265 N -4.65 0.43 -0.13 1.81 -2.24 -1.26 -3.46 114.28 104.78 3gdf n THR 265 Ca 0.21 -0.13 0.01 0.00 -2.27 0.00 0.00 64.05 61.86 3gdf n THR 265 Cb 0.51 -0.61 0.28 0.00 -2.10 0.00 0.00 70.33 68.41 3gdf n THR 265 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3gdf h THR 266 N 0.00 1.18 -0.02 4.28 2.02 -1.63 -3.52 112.91 115.23 3gdf h THR 266 Ca 0.00 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3gdf h THR 266 Cb 0.61 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3gdf h THR 266 CO 0.00 0.19 0.00 0.54 0.37 0.00 0.00 175.52 176.62