#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gdg n PRO 2 N 0.00 0.35 -1.04 0.03 -0.02 -1.26 -4.61 135.00 128.45 3gdg n PRO 2 Ca 0.00 -0.67 0.13 0.00 -2.02 0.00 0.00 63.50 60.94 3gdg n PRO 2 Cb 0.00 -2.91 -0.07 0.00 -0.02 0.00 0.00 33.50 30.51 3gdg n PRO 2 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gdg n GLY 3 N 6.33 -3.04 3.72 -1.23 0.00 -1.18 -4.84 105.19 104.95 3gdg n GLY 3 Ca 0.51 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 3gdg n GLY 3 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gdg s GLN 4 N -3.75 4.58 0.51 1.61 -2.07 -1.22 -4.90 119.66 114.43 3gdg s GLN 4 Ca 0.00 1.37 0.08 0.00 -1.82 0.00 0.00 55.36 54.99 3gdg s GLN 4 Cb 0.00 -3.43 0.05 0.00 -1.09 0.00 0.00 33.01 28.53 3gdg s GLN 4 CO 0.00 0.04 0.61 -1.14 -1.32 0.00 0.00 175.29 173.48 3gdg s GLN 5 N 0.69 2.44 0.67 9.60 2.00 -1.26 -5.06 119.66 128.74 3gdg s GLN 5 Ca 0.49 -1.62 -0.10 0.00 -2.00 0.00 0.00 55.36 52.13 3gdg s GLN 5 Cb -0.21 -2.52 0.01 0.00 0.80 0.00 0.00 33.01 31.08 3gdg s GLN 5 CO 0.27 -0.59 1.04 0.00 -0.50 0.00 0.00 175.29 175.51 3gdg s ALA 6 N -2.59 3.01 0.24 1.58 0.00 -1.26 -4.92 121.76 117.82 3gdg s ALA 6 Ca 0.53 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.76 3gdg s ALA 6 Cb -0.06 -2.91 -0.10 0.00 0.00 0.00 0.00 23.12 20.06 3gdg s ALA 6 CO 0.33 -1.03 1.37 0.99 0.00 0.00 0.00 175.76 177.42 3gdg s THR 7 N -3.25 2.89 -1.32 0.00 2.01 -1.26 -4.88 115.64 109.84 3gdg s THR 7 Ca 0.57 0.76 0.28 0.00 0.31 0.00 0.00 61.69 63.61 3gdg s THR 7 Cb -0.11 -3.49 0.42 0.00 0.01 0.00 0.00 72.50 69.33 3gdg s THR 7 CO 0.50 0.13 1.93 0.29 -0.69 0.00 0.00 174.62 176.78 3gdg n LYS 8 N 2.27 0.30 -3.01 4.92 4.76 -1.26 -4.80 118.16 121.33 3gdg n LYS 8 Ca 0.06 0.03 -0.40 0.00 -2.87 0.00 0.00 58.31 55.12 3gdg n LYS 8 Cb 0.41 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.06 3gdg n LYS 8 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3gdg s HIS 9 N -2.68 3.63 -0.11 2.13 3.76 -1.26 -4.93 115.29 115.83 3gdg s HIS 9 Ca 0.23 1.34 -0.05 0.00 -0.15 0.00 0.00 55.06 56.43 3gdg s HIS 9 Cb 0.18 -2.82 -0.26 0.00 1.11 0.00 0.00 32.58 30.80 3gdg s HIS 9 CO 0.44 0.15 0.39 -1.91 -0.85 0.00 0.00 174.74 172.96 3gdg n GLU 10 N 3.46 0.75 -2.00 1.40 4.07 -1.26 -4.89 120.64 122.17 3gdg n GLU 10 Ca -0.01 0.26 -0.41 0.00 -0.06 0.00 0.00 57.16 56.94 3gdg n GLU 10 Cb 0.51 -1.72 -0.02 0.00 -0.06 0.00 0.00 31.44 30.15 3gdg n GLU 10 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3gdg s SER 11 N -6.96 6.64 0.06 4.31 0.15 -1.26 -4.95 113.70 111.69 3gdg s SER 11 Ca -0.21 2.70 -0.16 0.00 0.70 0.00 0.00 55.95 58.98 3gdg s SER 11 Cb 0.07 -2.63 -0.19 0.00 -1.71 0.00 0.00 66.02 61.56 3gdg s SER 11 CO 0.77 -0.71 1.23 0.25 1.20 0.00 0.00 173.24 175.99 3gdg h LEU 12 N 4.79 0.73 -1.97 3.45 7.12 -2.00 -2.50 115.31 124.93 3gdg h LEU 12 Ca -0.46 -0.66 -0.01 0.00 0.13 0.00 0.00 57.88 56.87 3gdg h LEU 12 Cb 1.22 -0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 41.13 3gdg h LEU 12 CO 0.76 1.28 -0.06 -0.07 -0.13 0.00 0.00 178.44 180.22 3gdg h LEU 13 N 0.23 0.00 -0.24 2.25 3.38 -1.99 -0.95 115.31 117.99 3gdg h LEU 13 Ca -0.05 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.72 3gdg h LEU 13 Cb 1.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 3gdg h LEU 13 CO 0.13 0.06 -0.90 0.44 0.09 0.00 0.00 178.44 178.26 3gdg h ASP 14 N 0.00 0.16 -0.23 -0.43 3.45 -1.93 -1.10 116.42 116.34 3gdg h ASP 14 Ca -0.00 -0.14 -0.14 0.00 0.43 0.00 0.00 57.03 57.18 3gdg h ASP 14 Cb 0.12 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 3gdg h ASP 14 CO 0.01 0.98 -0.34 1.56 -1.57 0.00 0.00 179.24 179.88 3gdg h GLN 15 N 0.06 0.75 0.00 3.56 4.20 -0.75 -3.07 115.11 119.86 3gdg h GLN 15 Ca -0.04 -0.36 -0.13 0.00 0.06 0.00 0.00 58.65 58.18 3gdg h GLN 15 Cb 1.56 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.31 3gdg h GLN 15 CO 0.13 0.98 -0.63 -0.07 -0.67 0.00 0.00 178.83 178.56 3gdg h LEU 16 N 0.63 0.00 -9.94 1.46 3.38 -1.21 -0.64 115.31 108.99 3gdg h LEU 16 Ca 0.07 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.49 3gdg h LEU 16 Cb 0.87 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.73 3gdg h LEU 16 CO 0.08 0.63 0.73 -0.24 0.09 0.00 0.00 178.44 179.74 3gdg n SER 17 N -3.35 3.59 -0.83 -0.43 2.88 -0.42 -4.81 113.62 110.24 3gdg n SER 17 Ca 0.01 1.20 0.04 0.00 -1.33 0.00 0.00 58.87 58.78 3gdg n SER 17 Cb 0.75 -1.61 0.17 0.00 -0.75 0.00 0.00 64.21 62.77 3gdg n SER 17 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3gdg n LEU 18 N 0.30 2.61 -4.73 2.46 4.77 -0.21 -4.73 117.00 117.46 3gdg n LEU 18 Ca 0.03 -3.69 -0.41 0.00 -0.03 0.00 0.00 56.01 51.90 3gdg n LEU 18 Cb 0.39 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 3gdg n LEU 18 CO 0.63 1.33 0.97 -0.54 -1.33 0.00 0.00 177.39 178.44 3gdg s LYS 19 N -2.83 4.40 0.00 3.23 1.02 -1.15 -1.76 119.74 122.65 3gdg s LYS 19 Ca 0.38 2.00 0.00 0.00 0.02 0.00 0.00 55.97 58.37 3gdg s LYS 19 Cb 0.37 -3.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.47 3gdg s LYS 19 CO -0.08 -0.24 0.00 0.41 -0.92 0.00 0.00 175.35 174.52 3gdg n GLY 20 N 2.51 0.68 3.62 -3.33 0.00 -1.24 -4.98 105.19 102.44 3gdg n GLY 20 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 3gdg n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gdg s LYS 21 N -0.05 2.14 -0.06 1.61 1.02 -0.72 -5.02 119.74 118.66 3gdg s LYS 21 Ca 0.00 -1.58 0.05 0.00 0.02 0.00 0.00 55.97 54.46 3gdg s LYS 21 Cb 0.00 -2.03 -0.01 0.00 -0.52 0.00 0.00 37.83 35.27 3gdg s LYS 21 CO 0.00 0.27 -0.22 0.08 -0.92 0.00 0.00 175.35 174.57 3gdg s VAL 22 N -2.42 1.81 -0.04 3.17 1.01 -1.26 -1.53 120.40 121.14 3gdg s VAL 22 Ca 0.33 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.41 3gdg s VAL 22 Cb -0.04 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.81 3gdg s VAL 22 CO 0.19 0.51 -0.07 0.54 0.00 0.00 0.00 175.10 176.27 3gdg s VAL 23 N 0.02 0.65 -0.04 2.92 0.11 -0.96 -0.76 120.40 122.34 3gdg s VAL 23 Ca -0.07 -0.23 -0.00 0.00 -2.93 0.00 0.00 61.98 58.75 3gdg s VAL 23 Cb -0.14 -0.62 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 3gdg s VAL 23 CO 0.04 0.23 0.01 -0.69 -3.33 0.00 0.00 175.10 171.36 3gdg s VAL 24 N 0.56 4.33 -0.13 2.04 1.01 -0.56 -1.32 120.40 126.32 3gdg s VAL 24 Ca -0.08 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 3gdg s VAL 24 Cb -0.12 -2.88 0.04 0.00 0.00 0.00 0.00 36.38 33.42 3gdg s VAL 24 CO 0.01 0.48 0.00 -0.69 0.00 0.00 0.00 175.10 174.90 3gdg s VAL 25 N -1.00 0.56 0.22 2.92 1.01 -0.57 -0.45 120.40 123.09 3gdg s VAL 25 Ca 0.17 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 3gdg s VAL 25 Cb -0.11 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 3gdg s VAL 25 CO 0.07 0.07 1.57 0.71 0.00 0.00 0.00 175.10 177.52 3gdg h THR 26 N 6.39 1.32 0.00 3.92 1.35 -1.67 -2.23 112.91 122.00 3gdg h THR 26 Ca -0.20 -1.71 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 3gdg h THR 26 Cb 1.12 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 3gdg h THR 26 CO 0.32 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.72 3gdg n GLY 27 N 0.10 -1.24 3.77 5.82 0.00 -1.26 -4.18 105.19 108.20 3gdg n GLY 27 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3gdg n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gdg n ALA 28 N -3.00 -1.02 -0.02 4.61 0.00 -1.25 -4.24 120.51 115.59 3gdg n ALA 28 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 53.44 53.31 3gdg n ALA 28 Cb 0.00 -1.84 -0.08 0.00 0.00 0.00 0.00 19.45 17.53 3gdg n ALA 28 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gdg n SER 29 N -1.90 2.64 -5.00 0.00 2.88 -1.26 -4.66 113.62 106.32 3gdg n SER 29 Ca 0.08 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.40 3gdg n SER 29 Cb 0.40 1.19 0.05 0.00 -0.75 0.00 0.00 64.21 65.10 3gdg n SER 29 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3gdg s GLY 30 N -3.57 1.90 0.08 0.46 0.00 -1.26 -3.51 107.32 101.42 3gdg s GLY 30 Ca -0.04 -1.91 0.07 0.00 0.00 0.00 0.00 44.72 42.84 3gdg s GLY 30 CO 0.42 -1.79 1.14 -2.55 0.00 0.00 0.00 173.10 170.31 3gdg h PRO 31 N 0.27 0.02 -0.51 2.90 0.11 -1.92 -3.40 132.00 129.47 3gdg h PRO 31 Ca -0.30 -0.03 -0.29 0.00 0.11 0.00 0.00 66.00 65.49 3gdg h PRO 31 Cb 1.30 0.01 -0.40 0.00 0.11 0.00 0.00 31.00 32.01 3gdg h PRO 31 CO 0.45 0.91 -1.08 1.63 -0.21 0.00 0.00 178.00 179.70 3gdg n LYS 32 N -3.30 1.99 -2.62 1.05 5.02 -1.26 -4.94 118.16 114.11 3gdg n LYS 32 Ca -0.04 -3.60 -0.22 0.00 -2.02 0.00 0.00 58.31 52.43 3gdg n LYS 32 Cb 0.97 -1.70 0.06 0.00 -0.02 0.00 0.00 35.03 34.34 3gdg n LYS 32 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3gdg s GLY 33 N -3.75 1.80 0.22 0.72 0.00 -1.26 -4.37 107.32 100.68 3gdg s GLY 33 Ca 0.31 -1.45 -0.06 0.00 0.00 0.00 0.00 44.72 43.51 3gdg s GLY 33 CO -0.03 -1.08 1.70 -0.33 0.00 0.00 0.00 173.10 173.37 3gdg h MET 34 N -0.13 0.98 0.65 2.90 2.86 -1.96 -2.68 114.93 117.55 3gdg h MET 34 Ca -0.40 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 56.94 3gdg h MET 34 Cb 1.29 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 3gdg h MET 34 CO 0.49 0.94 -0.49 0.78 1.06 0.00 0.00 176.91 179.69 3gdg h GLY 35 N 1.01 -1.28 1.98 8.32 0.00 -1.94 -1.68 103.07 109.49 3gdg h GLY 35 Ca 0.17 0.55 -0.05 0.00 0.00 0.00 0.00 47.33 48.01 3gdg h GLY 35 CO 0.02 -0.41 -0.23 1.19 0.00 0.00 0.00 176.54 177.11 3gdg h ILE 36 N -1.10 1.17 -0.01 2.60 6.09 -1.83 -0.76 117.51 123.67 3gdg h ILE 36 Ca -0.08 -0.82 -0.09 0.00 -1.37 0.00 0.00 64.86 62.50 3gdg h ILE 36 Cb 0.91 1.42 -0.01 0.00 0.47 0.00 0.00 36.82 39.61 3gdg h ILE 36 CO 0.03 0.24 -0.44 -0.33 -3.07 0.00 0.00 178.15 174.58 3gdg h GLU 37 N 0.02 0.02 -0.15 2.19 4.39 -1.32 0.53 114.58 120.26 3gdg h GLU 37 Ca 0.00 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 3gdg h GLU 37 Cb 0.42 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3gdg h GLU 37 CO 0.03 0.46 -0.13 0.00 -1.16 0.00 0.00 179.01 178.21 3gdg h ALA 38 N 1.54 0.22 -0.36 3.43 0.00 -0.24 -2.32 119.26 121.53 3gdg h ALA 38 Ca -0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3gdg h ALA 38 Cb 0.78 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3gdg h ALA 38 CO 0.06 0.09 0.21 0.00 0.00 0.00 0.00 179.25 179.60 3gdg h ALA 39 N 0.62 0.46 -0.30 0.00 0.00 -0.78 -2.49 119.26 116.78 3gdg h ALA 39 Ca 0.03 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3gdg h ALA 39 Cb 0.65 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 3gdg h ALA 39 CO 0.03 -0.03 -0.43 0.00 0.00 0.00 0.00 179.25 178.82 3gdg h ARG 40 N 0.46 -0.38 -0.05 0.00 3.08 0.16 -0.01 114.38 117.65 3gdg h ARG 40 Ca 0.13 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.22 3gdg h ARG 40 Cb 0.03 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3gdg h ARG 40 CO -0.02 -0.25 -0.03 0.78 -1.07 0.00 0.00 179.97 179.37 3gdg h GLY 41 N -0.39 0.01 0.47 0.04 0.00 -1.37 -1.21 103.07 100.61 3gdg h GLY 41 Ca 0.11 0.04 0.11 0.00 0.00 0.00 0.00 47.33 47.59 3gdg h GLY 41 CO -0.50 -0.04 0.56 0.00 0.00 0.00 0.00 176.54 176.55 3gdg h ALA 43 N 1.51 1.15 0.00 0.00 0.00 -0.71 -2.58 119.26 118.63 3gdg h ALA 43 Ca 0.46 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3gdg h ALA 43 Cb 0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3gdg h ALA 43 CO -0.27 0.54 -0.20 1.49 0.00 0.00 0.00 179.25 180.81 3gdg h GLU 44 N 0.49 0.00 -0.01 0.00 4.81 0.36 -1.26 114.58 118.97 3gdg h GLU 44 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3gdg h GLU 44 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3gdg h GLU 44 CO 0.04 0.20 -0.02 -1.33 -0.73 0.00 0.00 179.01 177.16 3gdg n MET 45 N -3.89 1.34 -0.72 1.92 2.81 -0.78 -4.94 117.12 112.85 3gdg n MET 45 Ca -0.02 -0.60 0.00 0.00 -1.81 0.00 0.00 57.70 55.27 3gdg n MET 45 Cb 0.29 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 3gdg n MET 45 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gdg n GLY 46 N 1.15 1.26 3.84 3.03 0.00 -0.47 -1.04 105.19 112.94 3gdg n GLY 46 Ca 0.20 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 3gdg n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gdg s ALA 47 N -2.00 3.75 0.19 4.61 0.00 -1.03 -2.95 121.76 124.32 3gdg s ALA 47 Ca 0.00 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 3gdg s ALA 47 Cb 0.00 -1.73 -0.08 0.00 0.00 0.00 0.00 23.12 21.31 3gdg s ALA 47 CO 0.00 0.71 1.13 0.00 0.00 0.00 0.00 175.76 177.59 3gdg s ALA 48 N -1.23 3.39 -0.06 0.00 0.00 -0.58 -4.42 121.76 118.86 3gdg s ALA 48 Ca 0.24 0.85 0.04 0.00 0.00 0.00 0.00 51.96 53.10 3gdg s ALA 48 Cb -0.12 -3.37 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 3gdg s ALA 48 CO 0.15 -0.25 -0.20 0.08 0.00 0.00 0.00 175.76 175.54 3gdg s VAL 49 N -0.25 1.68 -0.10 0.00 1.01 -0.09 -2.26 120.40 120.40 3gdg s VAL 49 Ca 0.50 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 3gdg s VAL 49 Cb -0.30 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3gdg s VAL 49 CO 0.36 0.48 -0.06 0.00 0.00 0.00 0.00 175.10 175.87 3gdg s ALA 50 N 0.18 2.98 0.04 5.51 0.00 -0.44 -2.20 121.76 127.83 3gdg s ALA 50 Ca -0.09 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.03 3gdg s ALA 50 Cb -0.14 -1.33 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 3gdg s ALA 50 CO 0.05 0.46 -0.10 0.96 0.00 0.00 0.00 175.76 177.12 3gdg s ILE 51 N -0.43 0.79 0.22 0.00 -4.36 0.01 -1.52 121.20 115.92 3gdg s ILE 51 Ca 0.06 -0.98 0.10 0.00 -0.26 0.00 0.00 60.65 59.57 3gdg s ILE 51 Cb -0.12 -0.77 -0.04 0.00 1.25 0.00 0.00 42.46 42.77 3gdg s ILE 51 CO 0.02 -0.17 -0.13 0.42 0.24 0.00 0.00 174.94 175.31 3gdg s THR 52 N -1.04 2.90 0.12 8.37 -4.23 -0.84 0.06 115.64 120.99 3gdg s THR 52 Ca -0.04 -1.95 0.07 0.00 -1.18 0.00 0.00 61.69 58.60 3gdg s THR 52 Cb -0.08 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 3gdg s THR 52 CO 0.01 -0.22 -0.17 -0.72 -0.54 0.00 0.00 174.62 172.97 3gdg s TYR 53 N -1.98 1.61 -0.12 3.99 -0.85 -0.63 -4.17 117.35 115.20 3gdg s TYR 53 Ca 0.26 -0.47 -0.11 0.00 -0.52 0.00 0.00 57.07 56.23 3gdg s TYR 53 Cb -0.07 -0.85 -0.10 0.00 0.38 0.00 0.00 41.96 41.32 3gdg s TYR 53 CO 0.15 0.20 0.29 0.00 -1.52 0.00 0.00 175.55 174.67 3gdg h ALA 54 N 3.74 0.00 0.00 9.51 0.00 -1.89 -1.39 119.26 129.22 3gdg h ALA 54 Ca -0.43 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3gdg h ALA 54 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3gdg h ALA 54 CO 0.46 0.01 -0.32 0.45 0.00 0.00 0.00 179.25 179.84 3gdg n SER 55 N -4.71 1.44 -4.29 0.00 2.88 -1.26 -4.50 113.62 103.18 3gdg n SER 55 Ca -0.04 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.11 3gdg n SER 55 Cb 0.18 0.08 -0.11 0.00 -0.75 0.00 0.00 64.21 63.61 3gdg n SER 55 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3gdg s ARG 56 N -1.32 2.63 0.39 -1.46 0.52 -1.26 -4.97 118.95 113.48 3gdg s ARG 56 Ca 0.00 -1.31 0.15 0.00 -0.52 0.00 0.00 55.73 54.04 3gdg s ARG 56 Cb 0.00 -3.67 0.80 0.00 0.52 0.00 0.00 34.95 32.60 3gdg s ARG 56 CO 0.00 -0.82 1.85 0.00 0.02 0.00 0.00 175.30 176.35 3gdg h ALA 57 N 8.35 1.36 -0.38 2.13 0.00 -1.95 -3.37 119.26 125.40 3gdg h ALA 57 Ca -0.23 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.40 3gdg h ALA 57 Cb 1.09 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 3gdg h ALA 57 CO 0.69 0.42 -0.22 1.04 0.00 0.00 0.00 179.25 181.18 3gdg n GLN 58 N -4.02 -0.17 0.01 0.00 3.00 -1.26 0.29 117.38 115.23 3gdg n GLN 58 Ca -0.02 0.96 0.11 0.00 -0.01 0.00 0.00 57.00 58.04 3gdg n GLN 58 Cb 0.39 -1.42 0.55 0.00 0.00 0.00 0.00 30.24 29.75 3gdg n GLN 58 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 3gdg h GLY 59 N 0.00 0.37 2.00 1.08 0.00 -1.77 -0.50 103.07 104.25 3gdg h GLY 59 Ca 0.06 -0.12 -0.15 0.00 0.00 0.00 0.00 47.33 47.12 3gdg h GLY 59 CO -0.35 0.08 -0.73 0.00 0.00 0.00 0.00 176.54 175.54 3gdg h ALA 60 N 1.77 0.79 0.00 3.60 0.00 -0.20 -2.54 119.26 122.68 3gdg h ALA 60 Ca 0.20 -0.67 -0.23 0.00 0.00 0.00 0.00 54.91 54.21 3gdg h ALA 60 Cb 0.41 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3gdg h ALA 60 CO -0.04 0.91 -0.97 0.93 0.00 0.00 0.00 179.25 180.09 3gdg h GLU 61 N 0.00 0.46 0.00 0.00 4.39 0.11 -2.29 114.58 117.24 3gdg h GLU 61 Ca -0.01 -0.50 -0.03 0.00 0.34 0.00 0.00 59.36 59.16 3gdg h GLU 61 Cb 1.29 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 30.08 3gdg h GLU 61 CO 0.10 1.15 -0.16 0.93 -1.16 0.00 0.00 179.01 179.86 3gdg h GLU 62 N 0.26 0.00 0.10 2.33 5.08 -1.19 -2.33 114.58 118.82 3gdg h GLU 62 Ca -0.09 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.10 3gdg h GLU 62 Cb 1.61 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.87 3gdg h GLU 62 CO 0.17 0.16 -0.73 -0.91 -1.00 0.00 0.00 179.01 176.70 3gdg h ASN 63 N 0.00 0.47 -0.86 1.42 -0.26 -1.32 -2.67 115.58 112.35 3gdg h ASN 63 Ca -0.00 -0.90 0.10 0.00 -0.56 0.00 0.00 56.30 54.94 3gdg h ASN 63 Cb 0.63 -0.15 -0.06 0.00 -1.06 0.00 0.00 38.32 37.67 3gdg h ASN 63 CO 0.02 1.33 0.56 0.58 -1.06 0.00 0.00 177.43 178.86 3gdg h VAL 64 N -0.32 0.95 -0.42 2.81 2.07 -1.26 0.42 116.25 120.50 3gdg h VAL 64 Ca -0.12 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 3gdg h VAL 64 Cb 1.53 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3gdg h VAL 64 CO 0.14 0.15 0.01 0.11 0.02 0.00 0.00 177.57 178.00 3gdg h LYS 65 N 0.82 0.73 -0.49 1.57 1.79 -1.46 -1.66 116.57 117.87 3gdg h LYS 65 Ca 0.40 -0.23 -0.04 0.00 -2.18 0.00 0.00 60.65 58.60 3gdg h LYS 65 Cb 0.45 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.02 3gdg h LYS 65 CO -0.17 0.80 0.14 1.49 -1.08 0.00 0.00 179.45 180.63 3gdg h GLU 66 N 0.56 0.76 -0.50 3.15 4.81 -0.71 -1.77 114.58 120.89 3gdg h GLU 66 Ca 0.12 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 3gdg h GLU 66 Cb 0.47 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3gdg h GLU 66 CO 0.02 0.73 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.96 3gdg h LEU 67 N 0.65 0.80 0.35 1.64 3.38 -0.16 -1.81 115.31 120.17 3gdg h LEU 67 Ca 0.15 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3gdg h LEU 67 Cb 0.29 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3gdg h LEU 67 CO -0.00 0.87 -0.17 -0.33 0.09 0.00 0.00 178.44 178.90 3gdg h GLU 68 N 0.78 -0.46 0.34 1.13 5.08 -1.14 -2.56 114.58 117.74 3gdg h GLU 68 Ca 0.15 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3gdg h GLU 68 Cb 0.47 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3gdg h GLU 68 CO 0.02 -0.14 -0.26 0.87 -1.00 0.00 0.00 179.01 178.50 3gdg h LYS 69 N -0.94 -0.58 -0.45 2.33 1.57 -1.34 0.84 116.57 118.00 3gdg h LYS 69 Ca -0.05 0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 3gdg h LYS 69 Cb 0.53 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 3gdg h LYS 69 CO 0.08 -0.39 0.00 1.79 -0.57 0.00 0.00 179.45 180.37 3gdg h THR 70 N -0.60 1.26 -0.01 -0.16 1.35 -1.48 -3.30 112.91 109.97 3gdg h THR 70 Ca -0.03 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 3gdg h THR 70 Cb 0.52 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3gdg h THR 70 CO -0.00 0.36 -0.42 -1.22 -0.25 0.00 0.00 175.52 173.98 3gdg n TYR 71 N -4.38 0.00 -3.53 4.73 4.01 -0.97 -5.03 117.16 111.99 3gdg n TYR 71 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 3gdg n TYR 71 Cb 0.30 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.36 3gdg n TYR 71 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gdg n GLY 72 N 1.23 -1.12 3.22 2.72 0.00 0.29 -4.95 105.19 106.59 3gdg n GLY 72 Ca 0.07 0.50 -0.10 0.00 0.00 0.00 0.00 46.02 46.49 3gdg n GLY 72 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gdg s ILE 73 N -3.27 0.12 0.14 -0.61 -5.25 -1.24 -5.07 121.20 106.03 3gdg s ILE 73 Ca 0.28 -0.98 -0.31 0.00 -0.99 0.00 0.00 60.65 58.65 3gdg s ILE 73 Cb -0.09 -1.20 -0.08 0.00 2.95 0.00 0.00 42.46 44.03 3gdg s ILE 73 CO 0.84 -0.54 1.40 -0.54 -1.79 0.00 0.00 174.94 174.30 3gdg s LYS 74 N -3.50 4.32 -0.04 0.37 -0.14 -1.26 -4.34 119.74 115.15 3gdg s LYS 74 Ca 0.02 2.11 -0.11 0.00 -1.36 0.00 0.00 55.97 56.63 3gdg s LYS 74 Cb 0.03 -3.22 0.02 0.00 -1.68 0.00 0.00 37.83 32.98 3gdg s LYS 74 CO -0.09 -0.42 0.25 0.00 -0.76 0.00 0.00 175.35 174.33 3gdg s ALA 75 N 0.86 -0.61 0.01 5.17 0.00 -1.26 -0.91 121.76 125.02 3gdg s ALA 75 Ca 0.63 0.35 -0.14 0.00 0.00 0.00 0.00 51.96 52.80 3gdg s ALA 75 Cb -0.38 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.67 3gdg s ALA 75 CO 0.32 -0.20 0.31 0.21 0.00 0.00 0.00 175.76 176.41 3gdg s LYS 76 N -0.82 0.74 -0.02 0.00 2.20 -0.93 -4.98 119.74 115.92 3gdg s LYS 76 Ca -0.09 -0.34 -0.00 0.00 -0.36 0.00 0.00 55.97 55.18 3gdg s LYS 76 Cb -0.05 0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.56 3gdg s LYS 76 CO 0.02 -0.22 0.04 0.00 -0.36 0.00 0.00 175.35 174.83 3gdg s ALA 77 N -1.91 3.44 0.06 3.13 0.00 -1.26 -0.81 121.76 124.41 3gdg s ALA 77 Ca -0.09 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 50.99 3gdg s ALA 77 Cb -0.03 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 3gdg s ALA 77 CO 0.01 0.66 -0.05 0.71 0.00 0.00 0.00 175.76 177.09 3gdg s TYR 78 N -1.10 0.62 0.26 0.00 1.51 0.11 -4.92 117.35 113.82 3gdg s TYR 78 Ca 0.20 -0.85 -0.16 0.00 -1.01 0.00 0.00 57.07 55.25 3gdg s TYR 78 Cb -0.12 -0.40 -0.08 0.00 -0.11 0.00 0.00 41.96 41.25 3gdg s TYR 78 CO 0.10 -0.23 0.69 0.21 -1.11 0.00 0.00 175.55 175.21 3gdg s LYS 79 N -3.16 4.07 -0.29 -0.62 2.20 -1.26 -1.61 119.74 119.07 3gdg s LYS 79 Ca 0.02 0.68 -0.15 0.00 -0.36 0.00 0.00 55.97 56.16 3gdg s LYS 79 Cb 0.02 -2.68 0.11 0.00 -1.51 0.00 0.00 37.83 33.77 3gdg s LYS 79 CO -0.05 0.30 0.78 0.00 -0.36 0.00 0.00 175.35 176.01 3gdg s GLN 81 N 1.71 1.63 0.66 0.00 -0.21 -1.26 -4.05 119.66 118.14 3gdg s GLN 81 Ca -0.09 -2.13 0.26 0.00 0.02 0.00 0.00 55.36 53.42 3gdg s GLN 81 Cb -0.05 -3.18 1.39 0.00 1.00 0.00 0.00 33.01 32.16 3gdg s GLN 81 CO -0.18 -1.01 1.79 -0.39 -2.12 0.00 0.00 175.29 173.37 3gdg h VAL 82 N 6.16 0.05 -0.00 1.09 -1.51 -1.94 0.19 116.25 120.28 3gdg h VAL 82 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 3gdg h VAL 82 Cb 0.97 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.69 3gdg h VAL 82 CO 0.58 0.00 -0.03 -0.90 -1.23 0.00 0.00 177.57 175.99 3gdg n ASP 83 N -2.94 0.10 -4.26 4.19 5.75 -1.26 -4.03 116.55 114.10 3gdg n ASP 83 Ca -0.00 -0.30 -0.34 0.00 -0.01 0.00 0.00 54.79 54.14 3gdg n ASP 83 Cb 0.51 -0.21 -0.15 0.00 -1.03 0.00 0.00 41.12 40.24 3gdg n ASP 83 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3gdg s SER 84 N -2.51 3.80 0.22 -1.12 0.15 0.66 -4.92 113.70 109.98 3gdg s SER 84 Ca 0.30 -0.46 -0.00 0.00 0.70 0.00 0.00 55.95 56.49 3gdg s SER 84 Cb 0.20 -1.61 0.21 0.00 -1.71 0.00 0.00 66.02 63.12 3gdg s SER 84 CO 0.46 0.04 1.57 0.22 1.20 0.00 0.00 173.24 176.73 3gdg h TYR 85 N 7.62 0.56 -0.62 3.44 3.20 -1.83 -2.70 116.97 126.64 3gdg h TYR 85 Ca -0.37 -0.19 -0.05 0.00 3.14 0.00 0.00 58.73 61.26 3gdg h TYR 85 Cb 1.17 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 3gdg h TYR 85 CO 0.52 0.87 0.20 1.05 -1.64 0.00 0.00 178.16 179.16 3gdg h GLU 86 N 0.36 0.96 -0.54 1.82 4.11 -1.94 -1.53 114.58 117.82 3gdg h GLU 86 Ca 0.02 -0.20 -0.04 0.00 0.07 0.00 0.00 59.36 59.20 3gdg h GLU 86 Cb 1.00 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 3gdg h GLU 86 CO 0.09 0.85 0.16 1.03 0.07 0.00 0.00 179.01 181.21 3gdg h SER 87 N 0.89 0.76 1.06 3.06 0.87 -1.81 -1.14 113.55 117.23 3gdg h SER 87 Ca 0.20 -0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.53 3gdg h SER 87 Cb 0.28 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 3gdg h SER 87 CO -0.01 0.72 -0.54 0.00 -0.53 0.00 0.00 176.83 176.48 3gdg h GLU 89 N 0.00 0.52 -0.61 0.00 4.22 -0.86 -2.46 114.58 115.39 3gdg h GLU 89 Ca -0.01 -0.42 -0.04 0.00 0.08 0.00 0.00 59.36 58.97 3gdg h GLU 89 Cb 1.21 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 3gdg h GLU 89 CO 0.07 1.05 0.21 -0.22 -2.18 0.00 0.00 179.01 177.94 3gdg h LYS 90 N 0.12 0.91 0.36 1.92 3.64 -1.19 -0.61 116.57 121.72 3gdg h LYS 90 Ca -0.03 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 3gdg h LYS 90 Cb 1.14 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3gdg h LYS 90 CO 0.10 0.76 -0.17 1.25 -2.27 0.00 0.00 179.45 179.12 3gdg h LEU 91 N 0.89 -0.41 -0.77 5.20 5.85 -1.28 0.27 115.31 125.05 3gdg h LEU 91 Ca 0.20 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 3gdg h LEU 91 Cb 0.22 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3gdg h LEU 91 CO -0.01 -0.29 0.32 0.58 -0.34 0.00 0.00 178.44 178.69 3gdg h VAL 92 N -0.49 1.26 -0.18 1.05 2.07 -1.04 -1.55 116.25 117.37 3gdg h VAL 92 Ca -0.05 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 3gdg h VAL 92 Cb 0.37 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3gdg h VAL 92 CO 0.08 0.33 0.04 0.11 0.02 0.00 0.00 177.57 178.15 3gdg h LYS 93 N 1.11 0.29 -0.70 1.57 1.57 -0.89 -1.56 116.57 117.97 3gdg h LYS 93 Ca 0.26 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 3gdg h LYS 93 Cb 0.20 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 3gdg h LYS 93 CO -0.02 0.43 0.15 -0.44 -0.57 0.00 0.00 179.45 179.00 3gdg h ASP 94 N 0.10 1.07 0.39 0.86 3.32 -0.87 -1.72 116.42 119.58 3gdg h ASP 94 Ca 0.06 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 3gdg h ASP 94 Cb 0.27 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3gdg h ASP 94 CO 0.00 1.03 -0.19 0.58 -1.72 0.00 0.00 179.24 178.95 3gdg h VAL 95 N 1.06 0.62 -0.67 -1.35 2.07 -1.23 -0.07 116.25 116.68 3gdg h VAL 95 Ca 0.22 -0.18 0.13 0.00 0.82 0.00 0.00 66.70 67.69 3gdg h VAL 95 Cb 0.39 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3gdg h VAL 95 CO 0.01 0.04 0.45 0.58 0.02 0.00 0.00 177.57 178.67 3gdg h VAL 96 N -0.63 0.81 -0.05 2.57 2.07 -1.22 1.07 116.25 120.88 3gdg h VAL 96 Ca -0.05 -0.12 -0.19 0.00 0.82 0.00 0.00 66.70 67.16 3gdg h VAL 96 Cb 0.46 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3gdg h VAL 96 CO 0.09 0.06 -0.78 0.00 0.02 0.00 0.00 177.57 176.96 3gdg h ALA 97 N 1.68 0.56 0.09 1.67 0.00 -1.02 0.38 119.26 122.62 3gdg h ALA 97 Ca 0.32 -0.64 -0.32 0.00 0.00 0.00 0.00 54.91 54.27 3gdg h ALA 97 Cb 0.79 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3gdg h ALA 97 CO -0.09 0.79 -1.74 -0.44 0.00 0.00 0.00 179.25 177.78 3gdg h ASP 98 N 0.24 0.29 -0.00 0.00 3.32 0.97 -3.38 116.42 117.85 3gdg h ASP 98 Ca -0.04 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.47 3gdg h ASP 98 Cb 1.36 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3gdg h ASP 98 CO 0.13 1.47 -0.60 0.49 -1.72 0.00 0.00 179.24 179.00 3gdg n PHE 99 N -3.35 0.00 0.00 4.55 3.72 0.35 -4.98 117.46 117.74 3gdg n PHE 99 Ca -0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 3gdg n PHE 99 Cb 1.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 3gdg n PHE 99 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gdg n GLY 100 N 1.30 2.64 3.92 1.37 0.00 0.13 -4.93 105.19 109.61 3gdg n GLY 100 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 3gdg n GLY 100 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gdg s GLN 101 N -0.18 0.23 -0.16 1.61 -2.07 -1.22 -4.91 119.66 112.95 3gdg s GLN 101 Ca 0.00 -0.14 -0.04 0.00 -1.82 0.00 0.00 55.36 53.36 3gdg s GLN 101 Cb 0.00 0.06 0.08 0.00 -1.09 0.00 0.00 33.01 32.06 3gdg s GLN 101 CO 0.00 -0.11 0.22 0.42 -1.32 0.00 0.00 175.29 174.51 3gdg s ILE 102 N -2.06 -0.34 -0.12 3.63 1.01 -1.26 -4.54 121.20 117.52 3gdg s ILE 102 Ca 0.27 0.08 -0.09 0.00 0.00 0.00 0.00 60.65 60.91 3gdg s ILE 102 Cb 0.01 -0.54 -0.26 0.00 0.01 0.00 0.00 42.46 41.68 3gdg s ILE 102 CO -0.02 -0.05 0.40 0.44 0.00 0.00 0.00 174.94 175.71 3gdg h ASP 103 N 8.31 0.41 -4.46 3.58 3.32 -1.33 -3.46 116.42 122.79 3gdg h ASP 103 Ca -0.15 -0.91 -0.32 0.00 0.02 0.00 0.00 57.03 55.67 3gdg h ASP 103 Cb 1.14 -0.13 -0.24 0.00 0.22 0.00 0.00 39.33 40.32 3gdg h ASP 103 CO 0.21 1.81 -0.75 0.00 -1.72 0.00 0.00 179.24 178.80 3gdg s ALA 104 N -2.54 0.64 -0.07 3.45 0.00 -0.72 -0.74 121.76 121.78 3gdg s ALA 104 Ca -0.22 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.12 3gdg s ALA 104 Cb 0.06 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.16 3gdg s ALA 104 CO 0.77 0.05 -0.12 0.12 0.00 0.00 0.00 175.76 176.58 3gdg s PHE 105 N -0.96 1.42 -0.33 0.00 5.36 -0.29 -1.50 117.98 121.67 3gdg s PHE 105 Ca -0.05 -0.53 0.01 0.00 -0.96 0.00 0.00 56.93 55.40 3gdg s PHE 105 Cb -0.08 -1.06 0.09 0.00 -0.34 0.00 0.00 43.02 41.64 3gdg s PHE 105 CO 0.00 -0.29 0.05 0.42 -1.46 0.00 0.00 175.22 173.95 3gdg s ILE 106 N 0.74 2.63 0.16 3.12 1.09 0.41 0.09 121.20 129.43 3gdg s ILE 106 Ca -0.13 -1.98 -0.09 0.00 -1.10 0.00 0.00 60.65 57.35 3gdg s ILE 106 Cb -0.16 -2.76 -0.06 0.00 -1.06 0.00 0.00 42.46 38.43 3gdg s ILE 106 CO 0.03 -0.43 0.46 0.00 -0.10 0.00 0.00 174.94 174.90 3gdg s ALA 107 N 1.06 3.67 -0.22 9.38 0.00 -0.37 -1.82 121.76 133.46 3gdg s ALA 107 Ca 0.04 -0.37 -0.04 0.00 0.00 0.00 0.00 51.96 51.59 3gdg s ALA 107 Cb -0.20 -2.31 0.12 0.00 0.00 0.00 0.00 23.12 20.72 3gdg s ALA 107 CO -0.05 0.57 0.37 1.21 0.00 0.00 0.00 175.76 177.85 3gdg s ASN 108 N -2.19 0.19 -0.26 0.00 2.47 -1.26 -2.22 114.94 111.67 3gdg s ASN 108 Ca 0.41 0.41 -0.05 0.00 0.42 0.00 0.00 52.86 54.05 3gdg s ASN 108 Cb -0.12 1.10 0.01 0.00 -1.45 0.00 0.00 41.25 40.79 3gdg s ASN 108 CO 0.21 -0.28 0.01 0.00 -3.72 0.00 0.00 177.10 173.33 3gdg s ALA 109 N 2.54 2.91 -0.18 1.71 0.00 -1.26 -4.55 121.76 122.93 3gdg s ALA 109 Ca 0.08 -1.39 0.14 0.00 0.00 0.00 0.00 51.96 50.80 3gdg s ALA 109 Cb -0.14 -1.92 0.38 0.00 0.00 0.00 0.00 23.12 21.44 3gdg s ALA 109 CO -0.14 -0.78 1.23 0.41 0.00 0.00 0.00 175.76 176.47 3gdg n GLY 110 N 4.79 4.94 3.77 0.00 0.00 -1.26 -4.75 105.19 112.68 3gdg n GLY 110 Ca -0.16 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 3gdg n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gdg s ALA 111 N -3.07 3.55 0.28 4.61 0.00 -1.26 -5.00 121.76 120.88 3gdg s ALA 111 Ca 0.36 1.40 0.08 0.00 0.00 0.00 0.00 51.96 53.81 3gdg s ALA 111 Cb 0.33 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 3gdg s ALA 111 CO -0.01 -0.83 0.10 0.95 0.00 0.00 0.00 175.76 175.97 3gdg s THR 112 N -0.94 3.62 0.08 0.00 -4.23 -1.26 -4.84 115.64 108.07 3gdg s THR 112 Ca 0.52 -1.69 0.02 0.00 -1.18 0.00 0.00 61.69 59.36 3gdg s THR 112 Cb -0.43 -3.04 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 3gdg s THR 112 CO 0.55 -0.31 0.13 0.00 -0.54 0.00 0.00 174.62 174.45 3gdg s ALA 113 N -2.30 3.73 -0.21 3.99 0.00 -1.26 -4.90 121.76 120.81 3gdg s ALA 113 Ca 0.34 -0.97 0.12 0.00 0.00 0.00 0.00 51.96 51.45 3gdg s ALA 113 Cb -0.06 -1.57 0.43 0.00 0.00 0.00 0.00 23.12 21.92 3gdg s ALA 113 CO 0.22 0.76 1.21 -0.40 0.00 0.00 0.00 175.76 177.54 3gdg n ASP 114 N 0.32 2.34 -2.55 0.00 3.85 -1.26 -4.85 116.55 114.40 3gdg n ASP 114 Ca -0.07 -3.68 0.02 0.00 -0.71 0.00 0.00 54.79 50.35 3gdg n ASP 114 Cb 0.52 -0.47 0.01 0.00 -1.35 0.00 0.00 41.12 39.82 3gdg n ASP 114 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3gdg n SER 115 N -0.89 -0.54 -4.85 -1.12 3.41 -1.02 -5.02 113.62 103.58 3gdg n SER 115 Ca 0.23 -1.03 -0.22 0.00 -0.26 0.00 0.00 58.87 57.59 3gdg n SER 115 Cb 0.79 0.83 0.07 0.00 -0.26 0.00 0.00 64.21 65.64 3gdg n SER 115 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3gdg s GLY 116 N -3.46 1.79 0.12 5.00 0.00 -1.22 -3.42 107.32 106.13 3gdg s GLY 116 Ca 0.17 -1.67 -0.16 0.00 0.00 0.00 0.00 44.72 43.05 3gdg s GLY 116 CO -0.01 -1.24 1.60 0.16 0.00 0.00 0.00 173.10 173.60 3gdg h ILE 117 N -0.14 1.24 0.22 0.90 3.07 -1.93 0.52 117.51 121.39 3gdg h ILE 117 Ca -0.37 -0.85 -0.00 0.00 1.55 0.00 0.00 64.86 65.19 3gdg h ILE 117 Cb 1.28 1.09 -0.01 0.00 -0.27 0.00 0.00 36.82 38.91 3gdg h ILE 117 CO 0.44 0.29 -0.18 -0.07 -1.05 0.00 0.00 178.15 177.58 3gdg h LEU 118 N 0.44 -0.46 -1.14 0.16 4.07 -1.97 -2.38 115.31 114.03 3gdg h LEU 118 Ca 0.11 0.04 -0.07 0.00 0.08 0.00 0.00 57.88 58.04 3gdg h LEU 118 Cb 0.36 0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 3gdg h LEU 118 CO 0.01 -0.28 -0.18 0.44 -1.08 0.00 0.00 178.44 177.35 3gdg h ASP 119 N -0.41 0.37 -3.95 -0.43 3.32 -1.95 -3.44 116.42 109.91 3gdg h ASP 119 Ca -0.01 -0.10 -0.48 0.00 0.02 0.00 0.00 57.03 56.46 3gdg h ASP 119 Cb 0.37 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 3gdg h ASP 119 CO -0.01 0.57 0.25 -0.83 -1.72 0.00 0.00 179.24 177.50 3gdg s GLY 120 N -4.02 2.14 0.97 2.75 0.00 0.17 -4.96 107.32 104.36 3gdg s GLY 120 Ca -0.06 0.09 -0.15 0.00 0.00 0.00 0.00 44.72 44.60 3gdg s GLY 120 CO 0.76 0.33 1.26 -1.35 0.00 0.00 0.00 173.10 174.10 3gdg s SER 121 N -2.80 3.07 -0.03 1.64 1.04 -1.26 -4.84 113.70 110.52 3gdg s SER 121 Ca 0.57 0.46 -0.24 0.00 0.48 0.00 0.00 55.95 57.21 3gdg s SER 121 Cb -0.10 -0.64 -0.20 0.00 0.10 0.00 0.00 66.02 65.17 3gdg s SER 121 CO 0.26 -2.78 1.16 0.58 0.98 0.00 0.00 173.24 173.44 3gdg h VAL 122 N -1.67 1.47 -0.75 5.02 2.07 -1.98 -2.69 116.25 117.72 3gdg h VAL 122 Ca -0.45 -1.58 0.17 0.00 0.82 0.00 0.00 66.70 65.66 3gdg h VAL 122 Cb 1.27 2.41 -0.12 0.00 -1.52 0.00 0.00 31.29 33.33 3gdg h VAL 122 CO 0.44 0.43 0.12 -0.08 0.02 0.00 0.00 177.57 178.50 3gdg h GLU 123 N -0.40 0.19 -0.19 1.57 4.81 -1.98 0.24 114.58 118.81 3gdg h GLU 123 Ca -0.01 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 3gdg h GLU 123 Cb 0.78 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 3gdg h GLU 123 CO 0.03 0.12 -0.21 0.00 -0.73 0.00 0.00 179.01 178.22 3gdg h ALA 124 N 1.66 1.28 0.46 2.92 0.00 -1.94 0.70 119.26 124.33 3gdg h ALA 124 Ca 0.43 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3gdg h ALA 124 Cb 0.76 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3gdg h ALA 124 CO -0.58 0.48 -0.22 2.35 0.00 0.00 0.00 179.25 181.28 3gdg h TRP 125 N 0.31 -0.57 -1.03 0.00 2.91 -0.30 -3.00 115.95 114.27 3gdg h TRP 125 Ca 0.05 -0.01 0.39 0.00 1.13 0.00 0.00 58.89 60.44 3gdg h TRP 125 Cb 0.56 0.19 -0.16 0.00 -0.51 0.00 0.00 29.16 29.23 3gdg h TRP 125 CO 0.01 -0.35 0.58 -0.91 -1.03 0.00 0.00 178.44 176.74 3gdg h ASN 126 N -0.90 0.39 0.47 2.65 2.35 -0.69 -1.95 115.58 117.89 3gdg h ASN 126 Ca -0.06 0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3gdg h ASN 126 Cb 0.47 0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.05 3gdg h ASN 126 CO 0.10 -0.30 -0.23 -0.74 -1.65 0.00 0.00 177.43 174.61 3gdg h HIS 127 N 0.13 -0.59 -0.88 1.19 2.76 -0.84 0.30 115.15 117.22 3gdg h HIS 127 Ca 0.81 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 59.04 3gdg h HIS 127 Cb 2.07 0.19 -0.07 0.00 1.55 0.00 0.00 27.41 31.16 3gdg h HIS 127 CO -0.01 -0.28 0.54 0.28 -1.30 0.00 0.00 177.93 177.16 3gdg h VAL 128 N -0.83 1.01 0.02 5.26 2.07 -1.22 -1.35 116.25 121.20 3gdg h VAL 128 Ca -0.06 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 3gdg h VAL 128 Cb 0.57 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3gdg h VAL 128 CO 0.11 0.17 -0.01 0.58 0.02 0.00 0.00 177.57 178.44 3gdg h VAL 129 N 0.96 1.33 -0.31 2.57 2.07 -1.43 0.33 116.25 121.76 3gdg h VAL 129 Ca 0.40 -1.10 0.06 0.00 0.82 0.00 0.00 66.70 66.87 3gdg h VAL 129 Cb 0.24 2.07 -0.08 0.00 -1.52 0.00 0.00 31.29 32.00 3gdg h VAL 129 CO -0.20 0.28 -0.47 -0.61 0.02 0.00 0.00 177.57 176.60 3gdg h GLN 130 N -0.51 -0.40 0.31 1.57 5.75 -0.04 0.33 115.11 122.13 3gdg h GLN 130 Ca -0.00 0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 3gdg h GLN 130 Cb 0.48 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.12 3gdg h GLN 130 CO 0.00 -0.26 -0.15 0.28 -2.65 0.00 0.00 178.83 176.05 3gdg h VAL 131 N -0.41 0.65 -0.43 2.39 2.07 -1.30 0.93 116.25 120.15 3gdg h VAL 131 Ca 0.10 -0.65 -0.12 0.00 0.82 0.00 0.00 66.70 66.84 3gdg h VAL 131 Cb 0.61 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3gdg h VAL 131 CO -0.52 0.12 -0.23 0.44 0.02 0.00 0.00 177.57 177.40 3gdg h ASP 132 N -0.81 0.88 0.00 0.57 3.45 -0.26 -2.49 116.42 117.76 3gdg h ASP 132 Ca -0.04 -0.33 -0.18 0.00 0.43 0.00 0.00 57.03 56.91 3gdg h ASP 132 Cb 0.52 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 39.02 3gdg h ASP 132 CO 0.07 1.07 -1.58 -0.11 -1.57 0.00 0.00 179.24 177.12 3gdg n LEU 133 N -4.11 1.89 0.14 1.55 7.94 0.11 -3.80 117.00 120.73 3gdg n LEU 133 Ca 0.00 0.32 0.02 0.00 -1.11 0.00 0.00 56.01 55.24 3gdg n LEU 133 Cb 0.45 -0.75 0.35 0.00 0.53 0.00 0.00 43.42 44.00 3gdg n LEU 133 CO 0.45 0.05 0.78 0.78 -1.11 0.00 0.00 177.39 178.35 3gdg h ASN 134 N -0.96 0.14 -0.23 1.96 2.35 -0.03 -1.59 115.58 117.23 3gdg h ASN 134 Ca -0.28 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.43 3gdg h ASN 134 Cb 1.21 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 3gdg h ASN 134 CO -0.17 0.42 0.14 1.23 -1.65 0.00 0.00 177.43 177.40 3gdg h GLY 135 N 0.95 0.33 1.05 2.83 0.00 0.13 -0.83 103.07 107.53 3gdg h GLY 135 Ca 0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 3gdg h GLY 135 CO 0.04 0.13 0.19 -0.84 0.00 0.00 0.00 176.54 176.06 3gdg h THR 136 N 0.28 1.26 -0.00 4.70 2.02 -1.53 -2.69 112.91 116.94 3gdg h THR 136 Ca 0.08 -0.93 0.03 0.00 0.77 0.00 0.00 66.41 66.36 3gdg h THR 136 Cb 0.02 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 3gdg h THR 136 CO -0.02 0.36 -0.17 0.15 0.37 0.00 0.00 175.52 176.21 3gdg h PHE 137 N 1.03 -0.45 -0.29 3.16 3.57 -0.95 -1.09 116.94 121.92 3gdg h PHE 137 Ca 0.22 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.80 3gdg h PHE 137 Cb 0.34 0.20 -0.08 0.00 2.79 0.00 0.00 35.95 39.20 3gdg h PHE 137 CO 0.03 -0.25 -0.29 0.45 -2.23 0.00 0.00 178.31 176.02 3gdg h HIS 138 N -0.28 -0.79 -0.41 0.41 3.86 -1.00 0.66 115.15 117.59 3gdg h HIS 138 Ca 0.06 0.05 0.07 0.00 -1.16 0.00 0.00 60.37 59.38 3gdg h HIS 138 Cb 0.35 0.39 -0.09 0.00 1.06 0.00 0.00 27.41 29.12 3gdg h HIS 138 CO -0.23 -0.36 -0.44 0.00 0.86 0.00 0.00 177.93 177.77 3gdg h ALA 140 N 0.40 0.28 0.03 0.00 0.00 -0.29 -1.30 119.26 118.37 3gdg h ALA 140 Ca 0.13 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3gdg h ALA 140 Cb 0.58 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3gdg h ALA 140 CO -0.58 -0.37 -0.01 -0.22 0.00 0.00 0.00 179.25 178.07 3gdg h LYS 141 N 0.15 -0.04 -0.64 0.00 3.64 0.12 0.46 116.57 120.26 3gdg h LYS 141 Ca 0.12 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.57 3gdg h LYS 141 Cb 0.13 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 3gdg h LYS 141 CO -0.17 0.06 0.35 0.00 -2.27 0.00 0.00 179.45 177.42 3gdg h ALA 142 N 0.84 0.85 0.00 5.00 0.00 -0.01 -3.00 119.26 122.94 3gdg h ALA 142 Ca -0.00 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3gdg h ALA 142 Cb 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3gdg h ALA 142 CO 0.01 0.02 -1.03 -0.24 0.00 0.00 0.00 179.25 178.00 3gdg h VAL 143 N 0.65 0.46 0.00 0.00 3.04 -1.12 -3.32 116.25 115.95 3gdg h VAL 143 Ca 0.29 -1.79 -0.02 0.00 -1.01 0.00 0.00 66.70 64.17 3gdg h VAL 143 Cb 0.19 2.02 -0.00 0.00 -2.01 0.00 0.00 31.29 31.48 3gdg h VAL 143 CO -0.18 0.26 -0.10 1.23 -1.01 0.00 0.00 177.57 177.77 3gdg h GLY 144 N 3.73 0.00 0.67 3.17 0.00 0.07 0.90 103.07 111.61 3gdg h GLY 144 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 3gdg h GLY 144 CO 0.04 0.00 -0.07 0.45 0.00 0.00 0.00 176.54 176.96 3gdg h HIS 145 N 0.00 0.25 -0.06 5.60 3.86 -1.64 -1.48 115.15 121.69 3gdg h HIS 145 Ca -0.00 -0.07 0.04 0.00 -1.16 0.00 0.00 60.37 59.18 3gdg h HIS 145 Cb 0.19 -0.06 -0.05 0.00 1.06 0.00 0.00 27.41 28.56 3gdg h HIS 145 CO 0.00 0.61 -0.24 1.25 0.86 0.00 0.00 177.93 180.41 3gdg h HIS 146 N -0.18 -0.64 -0.73 2.45 6.17 -1.38 -2.17 115.15 118.67 3gdg h HIS 146 Ca 0.02 0.03 0.10 0.00 0.71 0.00 0.00 60.37 61.23 3gdg h HIS 146 Cb 0.55 0.29 -0.08 0.00 2.52 0.00 0.00 27.41 30.70 3gdg h HIS 146 CO 0.08 -0.33 0.36 0.74 0.71 0.00 0.00 177.93 179.49 3gdg h PHE 147 N -0.34 0.64 -0.84 5.26 0.04 -0.82 -1.53 116.94 119.35 3gdg h PHE 147 Ca 0.08 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.88 3gdg h PHE 147 Cb 0.45 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.39 3gdg h PHE 147 CO -0.30 0.21 0.52 -0.22 -0.60 0.00 0.00 178.31 177.92 3gdg h LYS 148 N 0.59 1.13 -0.46 1.51 3.64 -0.66 0.90 116.57 123.23 3gdg h LYS 148 Ca 0.37 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.57 3gdg h LYS 148 Cb 0.42 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3gdg h LYS 148 CO -0.29 0.79 -0.05 0.93 -2.27 0.00 0.00 179.45 178.56 3gdg h GLU 149 N 1.15 0.84 0.00 1.90 5.08 -0.92 -2.95 114.58 119.68 3gdg h GLU 149 Ca 0.30 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3gdg h GLU 149 Cb -0.06 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.12 3gdg h GLU 149 CO -0.06 0.91 0.00 0.00 -1.00 0.00 0.00 179.01 178.86 3gdg h ARG 150 N 0.68 0.00 -0.86 2.33 3.08 -0.91 -3.47 114.38 115.22 3gdg h ARG 150 Ca 0.12 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.00 3gdg h ARG 150 Cb 0.57 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 3gdg h ARG 150 CO 0.03 0.00 -0.19 0.41 -1.07 0.00 0.00 179.97 179.15 3gdg n GLY 151 N 0.63 0.47 3.62 0.04 0.00 0.28 -4.91 105.19 105.32 3gdg n GLY 151 Ca 0.03 -0.58 -0.07 0.00 0.00 0.00 0.00 46.02 45.40 3gdg n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gdg s THR 152 N -2.38 0.00 0.00 2.61 2.01 -1.03 -4.78 115.64 112.07 3gdg s THR 152 Ca 0.00 -0.36 0.00 0.00 0.31 0.00 0.00 61.69 61.64 3gdg s THR 152 Cb 0.00 -1.47 0.00 0.00 0.01 0.00 0.00 72.50 71.04 3gdg s THR 152 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 3gdg n GLY 153 N -0.37 4.02 2.79 4.40 0.00 -1.17 -4.39 105.19 110.47 3gdg n GLY 153 Ca -0.09 -1.13 -0.24 0.00 0.00 0.00 0.00 46.02 44.57 3gdg n GLY 153 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gdg s SER 154 N 0.00 1.74 -0.16 1.61 0.15 0.08 -1.18 113.70 115.94 3gdg s SER 154 Ca 0.00 -0.15 -0.07 0.00 0.70 0.00 0.00 55.95 56.43 3gdg s SER 154 Cb 0.00 -0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 63.76 3gdg s SER 154 CO 0.00 -0.19 0.06 -0.22 1.20 0.00 0.00 173.24 174.09 3gdg s LEU 155 N 1.93 3.82 -0.13 3.45 2.96 0.71 -1.13 118.68 130.28 3gdg s LEU 155 Ca 0.05 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 3gdg s LEU 155 Cb -0.13 -1.95 0.02 0.00 0.50 0.00 0.00 46.19 44.63 3gdg s LEU 155 CO -0.06 0.22 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.34 3gdg s VAL 156 N 0.09 1.66 -0.15 1.68 1.01 0.11 -2.45 120.40 122.36 3gdg s VAL 156 Ca 0.05 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 3gdg s VAL 156 Cb -0.12 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 3gdg s VAL 156 CO 0.01 0.47 -0.08 -0.63 0.00 0.00 0.00 175.10 174.87 3gdg s ILE 157 N 1.15 3.45 -0.25 2.22 1.01 -0.46 -1.23 121.20 127.08 3gdg s ILE 157 Ca -0.02 -0.52 -0.22 0.00 0.00 0.00 0.00 60.65 59.90 3gdg s ILE 157 Cb -0.14 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 3gdg s ILE 157 CO -0.06 0.51 0.69 -0.89 0.00 0.00 0.00 174.94 175.19 3gdg s THR 158 N 0.41 4.94 0.00 2.92 2.01 -0.94 -1.70 115.64 123.28 3gdg s THR 158 Ca -0.07 1.24 0.00 0.00 0.31 0.00 0.00 61.69 63.17 3gdg s THR 158 Cb -0.15 -3.99 0.00 0.00 0.01 0.00 0.00 72.50 68.37 3gdg s THR 158 CO 0.04 -0.01 0.00 0.00 -0.69 0.00 0.00 174.62 173.96 3gdg n ALA 159 N 5.81 0.00 0.00 7.40 0.00 0.36 -4.67 120.51 129.41 3gdg n ALA 159 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3gdg n ALA 159 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3gdg n ALA 159 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gdg n SER 160 N 0.00 0.00 0.20 0.00 2.88 -1.25 -4.59 113.62 110.86 3gdg n SER 160 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 3gdg n SER 160 Cb 0.00 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 63.87 3gdg n SER 160 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gdg h MET 161 N 0.00 0.00 0.00 -1.46 -0.00 -1.54 -0.50 114.93 111.44 3gdg h MET 161 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3gdg h MET 161 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 3gdg h MET 161 CO 0.00 0.31 0.00 0.43 -0.00 0.00 0.00 176.91 177.65 3gdg n SER 162 N -4.17 0.00 0.03 -0.10 7.64 -1.26 0.89 113.62 116.66 3gdg n SER 162 Ca -0.02 0.33 0.12 0.00 1.01 0.00 0.00 58.87 60.32 3gdg n SER 162 Cb 0.35 -0.35 0.28 0.00 -1.01 0.00 0.00 64.21 63.48 3gdg n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gdg n GLY 163 N -1.23 -1.38 0.08 0.23 0.00 -0.19 -4.08 105.19 98.62 3gdg n GLY 163 Ca 0.01 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 3gdg n GLY 163 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gdg n HIS 164 N -1.80 0.00 -4.21 1.61 8.25 0.26 -4.26 115.22 115.06 3gdg n HIS 164 Ca 0.05 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.36 3gdg n HIS 164 Cb 0.38 -0.72 -0.09 0.00 1.12 0.00 0.00 29.99 30.69 3gdg n HIS 164 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3gdg s ILE 165 N -2.36 0.00 -0.19 1.59 -0.00 -0.76 -5.14 121.20 114.34 3gdg s ILE 165 Ca -0.15 -1.95 -0.05 0.00 -0.00 0.00 0.00 60.65 58.50 3gdg s ILE 165 Cb 0.05 -2.49 -0.03 0.00 -0.00 0.00 0.00 42.46 39.99 3gdg s ILE 165 CO 0.53 0.00 -0.00 0.00 -0.00 0.00 0.00 174.94 175.47 3gdg s ALA 166 N -3.87 3.07 0.77 2.27 0.00 -1.26 -4.23 121.76 118.51 3gdg s ALA 166 Ca 0.38 -0.91 -0.14 0.00 0.00 0.00 0.00 51.96 51.29 3gdg s ALA 166 Cb 0.05 -1.73 0.06 0.00 0.00 0.00 0.00 23.12 21.49 3gdg s ALA 166 CO 0.17 -0.01 1.22 -0.80 0.00 0.00 0.00 175.76 176.34 3gdg s ASN 167 N 0.75 3.87 -0.03 0.00 -0.87 -1.26 -5.06 114.94 112.34 3gdg s ASN 167 Ca 0.00 2.39 -0.03 0.00 -1.57 0.00 0.00 52.86 53.65 3gdg s ASN 167 Cb -0.14 -2.59 0.01 0.00 -0.02 0.00 0.00 41.25 38.50 3gdg s ASN 167 CO 0.02 -2.48 0.09 0.12 -2.57 0.00 0.00 177.10 172.28 3gdg s PHE 168 N -2.02 -0.08 -1.90 2.20 2.19 -1.26 -4.26 117.98 112.85 3gdg s PHE 168 Ca 0.74 0.20 0.11 0.00 0.33 0.00 0.00 56.93 58.32 3gdg s PHE 168 Cb -0.30 0.02 0.34 0.00 -1.31 0.00 0.00 43.02 41.77 3gdg s PHE 168 CO 0.48 -0.07 1.26 -0.35 1.83 0.00 0.00 175.22 178.38 3gdg n PRO 169 N 2.89 1.95 -2.49 10.12 -0.04 -1.26 -4.85 135.00 141.33 3gdg n PRO 169 Ca -0.13 -1.37 -0.42 0.00 -0.04 0.00 0.00 63.50 61.55 3gdg n PRO 169 Cb 0.59 -1.34 -0.03 0.00 -0.04 0.00 0.00 33.50 32.68 3gdg n PRO 169 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3gdg s GLN 170 N -1.53 4.50 -0.34 0.54 1.11 -1.26 -5.01 119.66 117.67 3gdg s GLN 170 Ca 0.25 1.71 -0.17 0.00 0.01 0.00 0.00 55.36 57.16 3gdg s GLN 170 Cb 0.14 -3.34 -0.01 0.00 -1.01 0.00 0.00 33.01 28.79 3gdg s GLN 170 CO 0.16 -0.12 0.45 -1.21 0.01 0.00 0.00 175.29 174.58 3gdg s GLU 171 N 0.59 3.62 -0.36 2.91 0.41 -1.26 -4.60 118.70 120.01 3gdg s GLU 171 Ca 0.55 -0.25 0.14 0.00 -0.41 0.00 0.00 54.97 55.00 3gdg s GLU 171 Cb -0.28 -3.80 0.42 0.00 -1.78 0.00 0.00 34.13 28.69 3gdg s GLU 171 CO 0.31 -0.58 1.07 0.00 -0.49 0.00 0.00 175.26 175.57 3gdg n GLN 172 N 5.58 1.13 -0.33 1.61 10.64 -1.22 -2.44 117.38 132.35 3gdg n GLN 172 Ca -0.07 -2.72 0.01 0.00 -1.83 0.00 0.00 57.00 52.39 3gdg n GLN 172 Cb 0.49 -0.89 0.14 0.00 -0.86 0.00 0.00 30.24 29.12 3gdg n GLN 172 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 3gdg h THR 173 N 2.48 1.10 -0.55 -0.39 2.02 -1.91 -1.92 112.91 113.73 3gdg h THR 173 Ca -0.14 -0.37 0.10 0.00 0.77 0.00 0.00 66.41 66.77 3gdg h THR 173 Cb 1.19 -0.09 -0.08 0.00 -1.74 0.00 0.00 68.15 67.43 3gdg h THR 173 CO 0.29 0.20 0.11 0.77 0.37 0.00 0.00 175.52 177.27 3gdg h SER 174 N 1.09 -0.00 -0.25 4.18 4.64 -1.94 -0.72 113.55 120.54 3gdg h SER 174 Ca 0.38 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.79 3gdg h SER 174 Cb 0.11 0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3gdg h SER 174 CO -0.15 0.02 0.11 0.22 -0.87 0.00 0.00 176.83 176.15 3gdg h TYR 175 N 0.25 0.37 -0.78 4.77 3.20 -1.80 -1.79 116.97 121.18 3gdg h TYR 175 Ca 0.28 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 3gdg h TYR 175 Cb 0.40 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 3gdg h TYR 175 CO -0.24 0.38 0.47 -0.91 -1.64 0.00 0.00 178.16 176.21 3gdg h ASN 176 N 0.26 0.94 -0.30 -2.11 2.35 -0.85 -1.78 115.58 114.09 3gdg h ASN 176 Ca 0.08 -0.06 -0.19 0.00 -0.55 0.00 0.00 56.30 55.59 3gdg h ASN 176 Cb 0.15 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.29 3gdg h ASN 176 CO -0.01 0.73 -0.54 0.58 -1.65 0.00 0.00 177.43 176.54 3gdg h VAL 177 N 1.08 1.27 -0.08 2.81 2.07 -0.92 -1.63 116.25 120.85 3gdg h VAL 177 Ca 0.28 -1.71 -0.09 0.00 0.82 0.00 0.00 66.70 66.00 3gdg h VAL 177 Cb -0.04 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3gdg h VAL 177 CO -0.05 0.56 -0.37 0.00 0.02 0.00 0.00 177.57 177.73 3gdg h ALA 178 N 0.69 1.24 -0.20 1.67 0.00 -1.08 -1.01 119.26 120.57 3gdg h ALA 178 Ca 0.02 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 3gdg h ALA 178 Cb 1.15 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3gdg h ALA 178 CO 0.12 0.53 -0.59 0.87 0.00 0.00 0.00 179.25 180.18 3gdg h LYS 179 N 0.13 0.65 -0.37 0.00 1.79 -1.23 -1.11 116.57 116.43 3gdg h LYS 179 Ca 0.01 -0.43 -0.12 0.00 -2.18 0.00 0.00 60.65 57.93 3gdg h LYS 179 Cb 0.72 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.43 3gdg h LYS 179 CO 0.05 1.05 -0.22 0.00 -1.08 0.00 0.00 179.45 179.26 3gdg h ALA 180 N 0.85 0.53 -0.42 3.86 0.00 -0.91 -1.26 119.26 121.91 3gdg h ALA 180 Ca -0.00 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.56 3gdg h ALA 180 Cb 1.17 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3gdg h ALA 180 CO 0.12 0.50 0.28 0.78 0.00 0.00 0.00 179.25 180.93 3gdg h GLY 181 N 0.60 0.53 0.88 0.00 0.00 -1.08 -0.87 103.07 103.15 3gdg h GLY 181 Ca 0.08 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 3gdg h GLY 181 CO 0.06 0.17 0.03 0.00 0.00 0.00 0.00 176.54 176.81 3gdg h ILE 183 N 0.31 1.05 -0.10 0.00 2.04 -0.35 -2.05 117.51 118.41 3gdg h ILE 183 Ca 0.09 -0.11 -0.13 0.00 1.00 0.00 0.00 64.86 65.70 3gdg h ILE 183 Cb 0.37 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3gdg h ILE 183 CO 0.01 0.06 -0.53 -0.74 0.00 0.00 0.00 178.15 176.95 3gdg h HIS 184 N 0.33 0.35 -0.89 1.37 2.76 -1.11 -2.11 115.15 115.85 3gdg h HIS 184 Ca 0.10 -0.12 0.14 0.00 -2.20 0.00 0.00 60.37 58.28 3gdg h HIS 184 Cb -0.02 -0.07 -0.07 0.00 1.55 0.00 0.00 27.41 28.80 3gdg h HIS 184 CO -0.07 0.75 0.58 1.98 -1.30 0.00 0.00 177.93 179.87 3gdg h MET 185 N 0.22 0.71 -0.69 5.26 1.85 -0.40 0.34 114.93 122.22 3gdg h MET 185 Ca 0.01 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.03 3gdg h MET 185 Cb 1.01 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 32.84 3gdg h MET 185 CO 0.08 0.47 0.33 0.00 -0.40 0.00 0.00 176.91 177.39 3gdg h ALA 186 N 1.59 1.29 -0.13 0.39 0.00 -0.69 -1.17 119.26 120.54 3gdg h ALA 186 Ca 0.45 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.99 3gdg h ALA 186 Cb 0.66 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.19 3gdg h ALA 186 CO -0.21 0.55 -0.82 0.00 0.00 0.00 0.00 179.25 178.78 3gdg h ARG 187 N 0.97 0.79 -0.33 0.00 3.08 -0.93 -2.50 114.38 115.45 3gdg h ARG 187 Ca 0.24 -0.67 -0.13 0.00 0.07 0.00 0.00 59.98 59.49 3gdg h ARG 187 Cb 0.10 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3gdg h ARG 187 CO -0.03 1.27 -0.31 1.03 -1.07 0.00 0.00 179.97 180.86 3gdg h SER 188 N 0.53 0.85 0.52 7.04 0.87 -0.84 -3.00 113.55 119.52 3gdg h SER 188 Ca -0.06 -0.46 -0.17 0.00 -1.23 0.00 0.00 61.79 59.87 3gdg h SER 188 Cb 1.45 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 63.16 3gdg h SER 188 CO 0.17 1.13 -0.74 -0.07 -0.53 0.00 0.00 176.83 176.79 3gdg h LEU 189 N 0.57 0.21 -1.04 2.23 3.38 -1.33 -0.53 115.31 118.81 3gdg h LEU 189 Ca 0.06 -0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.00 3gdg h LEU 189 Cb 0.88 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.49 3gdg h LEU 189 CO 0.08 0.88 0.63 0.00 0.09 0.00 0.00 178.44 180.11 3gdg h ALA 190 N 1.12 1.54 0.11 1.53 0.00 -1.40 0.22 119.26 122.38 3gdg h ALA 190 Ca -0.02 0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 3gdg h ALA 190 Cb 1.31 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.91 3gdg h ALA 190 CO 0.11 0.22 -1.02 -0.97 0.00 0.00 0.00 179.25 177.59 3gdg h ASN 191 N 0.98 0.71 -0.79 0.00 -1.24 -1.33 -2.54 115.58 111.38 3gdg h ASN 191 Ca 0.49 -0.85 -0.02 0.00 0.71 0.00 0.00 56.30 56.63 3gdg h ASN 191 Cb 0.48 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 39.27 3gdg h ASN 191 CO -0.25 1.48 0.40 -0.08 -1.29 0.00 0.00 177.43 177.70 3gdg h GLU 192 N 0.03 1.12 -0.61 6.67 4.81 -0.28 -2.10 114.58 124.22 3gdg h GLU 192 Ca -0.16 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3gdg h GLU 192 Cb 1.74 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.91 3gdg h GLU 192 CO 0.19 0.85 0.00 0.91 -0.73 0.00 0.00 179.01 180.24 3gdg n TRP 193 N -4.39 1.10 0.22 0.92 8.01 0.71 -4.65 117.44 119.35 3gdg n TRP 193 Ca 0.07 -0.45 0.05 0.00 -1.31 0.00 0.00 57.50 55.87 3gdg n TRP 193 Cb 0.12 -0.18 0.28 0.00 -2.01 0.00 0.00 31.31 29.52 3gdg n TRP 193 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.69 176.75 3gdg h ARG 194 N 3.14 0.00 -0.01 -0.99 0.11 -0.92 0.24 114.38 115.95 3gdg h ARG 194 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3gdg h ARG 194 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 3gdg h ARG 194 CO 0.16 0.00 -0.50 -0.25 0.10 0.00 0.00 179.97 179.48 3gdg n ASP 195 N -2.17 1.63 0.00 0.08 10.43 -1.26 -4.31 116.55 120.95 3gdg n ASP 195 Ca -0.01 -1.27 0.00 0.00 2.57 0.00 0.00 54.79 56.08 3gdg n ASP 195 Cb 0.55 0.46 0.00 0.00 1.84 0.00 0.00 41.12 43.97 3gdg n ASP 195 CO 0.00 0.00 0.00 2.22 -1.07 0.00 0.00 177.20 178.35 3gdg n PHE 196 N -0.40 0.00 -3.95 1.24 -1.74 0.75 -3.08 117.46 110.28 3gdg n PHE 196 Ca 0.09 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.89 3gdg n PHE 196 Cb 0.42 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.33 3gdg n PHE 196 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3gdg s ALA 197 N -0.34 0.02 -0.06 1.98 0.00 -0.55 -2.59 121.76 120.22 3gdg s ALA 197 Ca 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 51.96 51.28 3gdg s ALA 197 Cb 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 3gdg s ALA 197 CO 0.00 -0.31 0.13 1.03 0.00 0.00 0.00 175.76 176.60 3gdg s ARG 198 N -2.70 3.33 -0.06 0.00 0.52 -0.32 -4.39 118.95 115.33 3gdg s ARG 198 Ca -0.04 -0.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 3gdg s ARG 198 Cb -0.01 -3.07 0.02 0.00 0.52 0.00 0.00 34.95 32.42 3gdg s ARG 198 CO -0.05 0.72 -0.03 0.08 0.02 0.00 0.00 175.30 176.04 3gdg s VAL 199 N -1.13 0.50 0.06 3.52 1.01 -1.26 -0.21 120.40 122.89 3gdg s VAL 199 Ca 0.20 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 3gdg s VAL 199 Cb -0.12 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 3gdg s VAL 199 CO 0.10 0.25 0.12 0.20 0.00 0.00 0.00 175.10 175.76 3gdg s ASN 200 N 1.36 0.20 0.07 3.32 0.01 -1.03 0.20 114.94 119.08 3gdg s ASN 200 Ca -0.04 -0.66 0.07 0.00 -0.71 0.00 0.00 52.86 51.52 3gdg s ASN 200 Cb -0.13 0.27 -0.03 0.00 0.41 0.00 0.00 41.25 41.77 3gdg s ASN 200 CO -0.02 -0.62 -0.19 -0.94 -1.51 0.00 0.00 177.10 173.81 3gdg s SER 201 N -2.59 2.25 -0.09 -1.22 1.04 0.65 -1.35 113.70 112.39 3gdg s SER 201 Ca 0.02 -0.59 0.03 0.00 0.48 0.00 0.00 55.95 55.88 3gdg s SER 201 Cb 0.03 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 3gdg s SER 201 CO -0.08 0.06 -0.17 0.27 0.98 0.00 0.00 173.24 174.30 3gdg s ILE 202 N -1.02 2.71 -0.56 -1.02 -0.00 -0.69 -1.51 121.20 119.11 3gdg s ILE 202 Ca 0.05 -0.81 -0.02 0.00 -0.00 0.00 0.00 60.65 59.86 3gdg s ILE 202 Cb -0.09 -2.08 0.15 0.00 -0.00 0.00 0.00 42.46 40.43 3gdg s ILE 202 CO 0.03 0.55 0.37 -0.44 -0.00 0.00 0.00 174.94 175.45 3gdg s SER 203 N -0.02 5.18 0.36 4.36 0.01 -0.49 -0.49 113.70 122.62 3gdg s SER 203 Ca -0.05 -2.65 -0.16 0.00 1.31 0.00 0.00 55.95 54.40 3gdg s SER 203 Cb -0.14 -1.83 -0.09 0.00 0.21 0.00 0.00 66.02 64.16 3gdg s SER 203 CO 0.04 -0.40 0.80 -2.16 0.41 0.00 0.00 173.24 171.93 3gdg s PRO 204 N 0.23 4.02 0.00 12.44 0.04 -1.26 -0.53 135.00 149.94 3gdg s PRO 204 Ca 0.15 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.94 3gdg s PRO 204 Cb -0.21 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 31.97 3gdg s PRO 204 CO -0.03 0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.49 3gdg n GLY 205 N -0.60 1.28 3.62 0.56 0.00 0.11 -1.99 105.19 108.17 3gdg n GLY 205 Ca 0.04 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 3gdg n GLY 205 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gdg s TYR 206 N 1.56 2.10 -0.10 1.61 2.02 -1.26 -4.90 117.35 118.38 3gdg s TYR 206 Ca 0.00 0.57 0.04 0.00 -0.37 0.00 0.00 57.07 57.31 3gdg s TYR 206 Cb 0.00 -4.02 0.00 0.00 -0.40 0.00 0.00 41.96 37.54 3gdg s TYR 206 CO 0.00 -2.84 -0.23 0.42 -1.57 0.00 0.00 175.55 171.33 3gdg s ILE 207 N 5.43 1.95 -0.04 2.71 1.01 -1.26 -1.70 121.20 129.31 3gdg s ILE 207 Ca 0.72 -0.96 -0.24 0.00 0.00 0.00 0.00 60.65 60.16 3gdg s ILE 207 Cb -0.24 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 3gdg s ILE 207 CO 0.30 0.54 0.75 -0.62 0.00 0.00 0.00 174.94 175.90 3gdg s ASP 208 N 0.40 7.07 -0.10 3.58 2.15 -0.88 -4.90 116.67 124.00 3gdg s ASP 208 Ca -0.18 1.29 0.14 0.00 0.43 0.00 0.00 52.55 54.24 3gdg s ASP 208 Cb -0.18 -2.44 0.22 0.00 -0.30 0.00 0.00 42.92 40.22 3gdg s ASP 208 CO 0.08 -0.11 1.11 0.35 -0.17 0.00 0.00 175.17 176.42 3gdg n THR 209 N 3.62 1.60 0.00 1.71 -2.24 -1.26 -4.27 114.28 113.44 3gdg n THR 209 Ca -0.01 -1.89 0.00 0.00 -2.27 0.00 0.00 64.05 59.89 3gdg n THR 209 Cb 0.51 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 3gdg n THR 209 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gdg n GLY 210 N -1.17 0.65 1.26 3.38 0.00 -1.26 -4.54 105.19 103.51 3gdg n GLY 210 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 3gdg n GLY 210 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gdg n LEU 211 N 0.00 4.41 0.03 0.99 4.77 -1.26 -4.57 117.00 121.36 3gdg n LEU 211 Ca 0.00 -2.71 0.09 0.00 -0.03 0.00 0.00 56.01 53.36 3gdg n LEU 211 Cb 0.00 -0.54 0.52 0.00 -2.33 0.00 0.00 43.42 41.07 3gdg n LEU 211 CO 0.00 0.71 1.15 0.77 -1.33 0.00 0.00 177.39 178.69 3gdg h SER 212 N 2.92 0.29 -0.82 -1.43 4.64 -1.96 -2.55 113.55 114.65 3gdg h SER 212 Ca 0.00 -0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.45 3gdg h SER 212 Cb 1.47 -0.07 -0.09 0.00 -0.31 0.00 0.00 62.40 63.41 3gdg h SER 212 CO 0.26 0.20 0.42 0.44 -0.87 0.00 0.00 176.83 177.27 3gdg h ASP 213 N 0.34 0.52 0.00 4.97 3.45 -2.03 -1.83 116.42 121.84 3gdg h ASP 213 Ca 0.17 0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.72 3gdg h ASP 213 Cb 0.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.03 3gdg h ASP 213 CO -0.04 0.24 0.00 0.49 -1.57 0.00 0.00 179.24 178.36 3gdg n PHE 214 N -4.86 0.00 -4.02 4.55 3.01 -0.96 -4.63 117.46 110.56 3gdg n PHE 214 Ca 0.16 -0.14 -0.22 0.00 1.01 0.00 0.00 57.45 58.26 3gdg n PHE 214 Cb 0.39 -0.12 -0.17 0.00 -0.01 0.00 0.00 39.48 39.58 3gdg n PHE 214 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3gdg s VAL 215 N -0.05 0.58 0.25 -4.37 1.01 -0.69 -5.12 120.40 112.00 3gdg s VAL 215 Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 3gdg s VAL 215 Cb 0.00 -0.64 -0.15 0.00 0.00 0.00 0.00 36.38 35.59 3gdg s VAL 215 CO 0.00 0.26 0.98 -2.65 0.00 0.00 0.00 175.10 173.69 3gdg n PRO 216 N 4.53 1.12 -0.35 2.72 -0.02 -1.26 -4.80 135.00 136.94 3gdg n PRO 216 Ca -0.17 0.40 0.11 0.00 -2.02 0.00 0.00 63.50 61.81 3gdg n PRO 216 Cb 0.50 -1.75 0.29 0.00 -0.02 0.00 0.00 33.50 32.53 3gdg n PRO 216 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3gdg h LYS 217 N 2.18 0.80 0.19 -0.52 1.57 -1.96 -2.38 116.57 116.45 3gdg h LYS 217 Ca -0.39 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 3gdg h LYS 217 Cb 1.35 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3gdg h LYS 217 CO 0.62 0.53 -0.09 0.93 -0.57 0.00 0.00 179.45 180.87 3gdg h GLU 218 N 0.83 -0.25 -0.69 3.15 3.07 -1.99 -2.11 114.58 116.58 3gdg h GLU 218 Ca 0.55 0.02 0.12 0.00 -0.50 0.00 0.00 59.36 59.55 3gdg h GLU 218 Cb 0.75 0.06 -0.12 0.00 -0.84 0.00 0.00 28.75 28.60 3gdg h GLU 218 CO -0.35 -0.17 -0.22 2.41 -1.40 0.00 0.00 179.01 179.29 3gdg n THR 219 N -2.73 -0.33 -0.23 1.13 -1.04 -0.99 0.12 114.28 110.21 3gdg n THR 219 Ca -0.03 1.61 -0.07 0.00 -2.04 0.00 0.00 64.05 63.51 3gdg n THR 219 Cb 0.10 -2.17 0.04 0.00 -1.82 0.00 0.00 70.33 66.48 3gdg n THR 219 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 3gdg h GLN 220 N 0.00 0.97 -0.87 -2.82 4.20 -1.45 -2.08 115.11 113.06 3gdg h GLN 220 Ca 0.29 -0.19 0.02 0.00 0.06 0.00 0.00 58.65 58.83 3gdg h GLN 220 Cb 0.46 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.04 3gdg h GLN 220 CO -0.70 0.83 0.57 1.96 -0.67 0.00 0.00 178.83 180.82 3gdg h GLN 221 N 0.90 1.11 -0.36 1.46 4.20 0.16 -0.56 115.11 122.02 3gdg h GLN 221 Ca 0.21 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 3gdg h GLN 221 Cb 0.24 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3gdg h GLN 221 CO -0.01 0.73 0.04 1.25 -0.67 0.00 0.00 178.83 180.17 3gdg h LEU 222 N 1.14 0.58 -0.21 1.46 5.85 -0.92 -2.57 115.31 120.64 3gdg h LEU 222 Ca 0.33 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3gdg h LEU 222 Cb -0.06 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 3gdg h LEU 222 CO -0.09 0.71 0.14 -0.50 -0.34 0.00 0.00 178.44 178.36 3gdg h TRP 223 N 0.43 0.27 -0.55 1.25 6.55 -0.90 -2.81 115.95 120.19 3gdg h TRP 223 Ca 0.11 0.01 -0.00 0.00 0.95 0.00 0.00 58.89 59.95 3gdg h TRP 223 Cb 0.39 -0.09 -0.03 0.00 -0.86 0.00 0.00 29.16 28.57 3gdg h TRP 223 CO 0.03 0.17 0.34 0.45 -1.05 0.00 0.00 178.44 178.38 3gdg h HIS 224 N 0.28 0.70 0.00 0.49 3.86 -1.09 -0.42 115.15 118.98 3gdg h HIS 224 Ca 0.08 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3gdg h HIS 224 Cb -0.03 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.21 3gdg h HIS 224 CO -0.06 0.46 0.00 -1.13 0.86 0.00 0.00 177.93 178.06 3gdg n SER 225 N -4.43 0.57 -0.22 2.45 3.41 -0.97 -1.72 113.62 112.70 3gdg n SER 225 Ca 0.05 0.66 0.10 0.00 -0.26 0.00 0.00 58.87 59.42 3gdg n SER 225 Cb 0.07 -0.77 -0.06 0.00 -0.26 0.00 0.00 64.21 63.18 3gdg n SER 225 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3gdg n MET 226 N -2.15 0.94 -3.43 4.33 2.00 -0.20 -4.80 117.12 113.81 3gdg n MET 226 Ca 0.02 -0.45 -0.44 0.00 0.00 0.00 0.00 57.70 56.83 3gdg n MET 226 Cb 0.18 -1.42 -0.08 0.00 0.00 0.00 0.00 33.22 31.91 3gdg n MET 226 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3gdg s ILE 227 N -2.59 4.94 0.41 2.02 1.01 -0.70 -4.59 121.20 121.70 3gdg s ILE 227 Ca 0.12 -1.29 0.27 0.00 0.00 0.00 0.00 60.65 59.75 3gdg s ILE 227 Cb 0.16 -4.04 0.44 0.00 0.01 0.00 0.00 42.46 39.03 3gdg s ILE 227 CO 0.67 -0.65 1.60 1.55 0.00 0.00 0.00 174.94 178.11 3gdg h PRO 228 N 8.69 0.05 0.00 2.79 0.13 -1.81 2.96 132.00 144.81 3gdg h PRO 228 Ca -0.27 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.82 3gdg h PRO 228 Cb 1.10 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3gdg h PRO 228 CO 0.89 0.03 -0.18 0.52 -0.23 0.00 0.00 178.00 179.03 3gdg h MET 229 N 0.05 0.00 -0.22 0.86 2.86 -1.86 -3.47 114.93 113.15 3gdg h MET 229 Ca 0.85 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 58.39 3gdg h MET 229 Cb 2.50 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 34.13 3gdg h MET 229 CO -0.56 0.18 -0.09 0.41 1.06 0.00 0.00 176.91 177.91 3gdg n GLY 230 N -0.02 0.72 3.33 8.32 0.00 0.99 -5.00 105.19 113.52 3gdg n GLY 230 Ca -0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 3gdg n GLY 230 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gdg s ARG 231 N -1.90 0.98 0.84 1.61 1.70 -1.26 -4.87 118.95 116.04 3gdg s ARG 231 Ca 0.00 -0.46 -0.11 0.00 -0.47 0.00 0.00 55.73 54.69 3gdg s ARG 231 Cb 0.00 0.44 0.10 0.00 -0.57 0.00 0.00 34.95 34.91 3gdg s ARG 231 CO 0.00 -0.35 1.09 -0.51 -1.08 0.00 0.00 175.30 174.45 3gdg s ASP 232 N -2.25 3.93 0.63 -2.89 1.01 -1.26 -4.97 116.67 110.87 3gdg s ASP 232 Ca -0.03 1.67 0.07 0.00 0.71 0.00 0.00 52.55 54.98 3gdg s ASP 232 Cb 0.00 -2.35 0.11 0.00 1.01 0.00 0.00 42.92 41.68 3gdg s ASP 232 CO -0.05 -2.38 0.87 -0.83 0.21 0.00 0.00 175.17 172.98 3gdg s GLY 233 N -3.37 1.72 0.19 0.21 0.00 -0.69 -4.91 107.32 100.48 3gdg s GLY 233 Ca 0.62 -2.08 0.09 0.00 0.00 0.00 0.00 44.72 43.35 3gdg s GLY 233 CO 0.57 -1.57 -0.18 1.08 0.00 0.00 0.00 173.10 173.00 3gdg s LEU 234 N -4.82 2.49 0.27 0.66 1.43 -1.26 -2.06 118.68 115.38 3gdg s LEU 234 Ca 0.64 -0.93 -0.03 0.00 -1.03 0.00 0.00 54.13 52.79 3gdg s LEU 234 Cb -0.05 -0.85 0.37 0.00 0.03 0.00 0.00 46.19 45.68 3gdg s LEU 234 CO 0.41 -0.05 1.84 0.00 0.23 0.00 0.00 176.35 178.79 3gdg h ALA 235 N 2.93 1.22 0.00 4.21 0.00 -1.83 -0.99 119.26 124.81 3gdg h ALA 235 Ca -0.41 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3gdg h ALA 235 Cb 1.22 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3gdg h ALA 235 CO 0.55 0.56 0.00 0.36 0.00 0.00 0.00 179.25 180.72 3gdg n LYS 236 N -4.30 0.06 0.00 0.00 2.85 -1.26 0.68 118.16 116.19 3gdg n LYS 236 Ca 0.05 0.53 0.13 0.00 -1.05 0.00 0.00 58.31 57.97 3gdg n LYS 236 Cb 0.18 -1.69 0.32 0.00 -0.65 0.00 0.00 35.03 33.19 3gdg n LYS 236 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3gdg n GLU 237 N -1.82 1.46 0.00 -1.58 1.02 -0.38 -3.75 120.64 115.59 3gdg n GLU 237 Ca -0.00 -1.00 0.07 0.00 -0.02 0.00 0.00 57.16 56.21 3gdg n GLU 237 Cb 0.04 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 29.96 3gdg n GLU 237 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gdg n LEU 238 N 0.11 1.41 0.02 -4.62 4.32 0.21 -4.54 117.00 113.92 3gdg n LEU 238 Ca 0.14 -0.72 -0.04 0.00 -0.02 0.00 0.00 56.01 55.38 3gdg n LEU 238 Cb 0.42 0.00 0.20 0.00 -1.62 0.00 0.00 43.42 42.41 3gdg n LEU 238 CO 0.21 0.28 0.72 0.07 -1.22 0.00 0.00 177.39 177.44 3gdg h LYS 239 N 1.40 0.46 -0.54 3.23 2.10 -1.60 -2.92 116.57 118.71 3gdg h LYS 239 Ca 0.00 -0.18 -0.08 0.00 -2.00 0.00 0.00 60.65 58.38 3gdg h LYS 239 Cb 0.48 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.77 3gdg h LYS 239 CO 0.00 0.70 0.01 0.78 -2.00 0.00 0.00 179.45 178.94 3gdg h GLY 240 N 1.04 1.03 1.12 0.07 0.00 -1.82 -2.29 103.07 102.21 3gdg h GLY 240 Ca 0.06 -0.75 -0.06 0.00 0.00 0.00 0.00 47.33 46.58 3gdg h GLY 240 CO 0.05 0.69 0.20 0.00 0.00 0.00 0.00 176.54 177.49 3gdg h ALA 241 N 0.96 1.03 0.17 3.60 0.00 -1.82 -0.81 119.26 122.39 3gdg h ALA 241 Ca 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3gdg h ALA 241 Cb 0.52 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3gdg h ALA 241 CO 0.03 0.65 -0.08 1.88 0.00 0.00 0.00 179.25 181.72 3gdg h TYR 242 N 1.05 -0.21 -0.63 0.00 -1.99 -1.39 -2.08 116.97 111.72 3gdg h TYR 242 Ca 0.23 -0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.96 3gdg h TYR 242 Cb 0.32 0.07 -0.03 0.00 2.00 0.00 0.00 36.73 39.08 3gdg h TYR 242 CO 0.02 0.06 0.42 0.28 -0.00 0.00 0.00 178.16 178.95 3gdg h VAL 243 N -0.47 1.16 -0.63 -2.88 2.07 -1.39 -1.00 116.25 113.10 3gdg h VAL 243 Ca -0.02 -0.29 0.13 0.00 0.82 0.00 0.00 66.70 67.34 3gdg h VAL 243 Cb 0.37 0.23 -0.11 0.00 -1.52 0.00 0.00 31.29 30.25 3gdg h VAL 243 CO 0.04 0.16 -0.07 0.22 0.02 0.00 0.00 177.57 177.94 3gdg h TYR 244 N 0.86 -0.17 0.01 1.57 3.20 -1.02 -0.04 116.97 121.37 3gdg h TYR 244 Ca 0.23 0.05 -0.20 0.00 3.14 0.00 0.00 58.73 61.96 3gdg h TYR 244 Cb -0.10 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3gdg h TYR 244 CO -0.03 -0.22 -0.90 0.74 -1.64 0.00 0.00 178.16 176.11 3gdg h PHE 245 N 0.06 0.22 0.00 -3.82 0.04 -0.84 -3.27 116.94 109.33 3gdg h PHE 245 Ca 0.32 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.96 3gdg h PHE 245 Cb 0.52 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.65 3gdg h PHE 245 CO -0.44 0.96 0.00 0.00 -0.60 0.00 0.00 178.31 178.24 3gdg h ALA 246 N 0.99 1.00 -6.22 2.45 0.00 -0.24 -3.47 119.26 113.78 3gdg h ALA 246 Ca -0.04 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.42 3gdg h ALA 246 Cb 1.55 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.35 3gdg h ALA 246 CO 0.13 0.00 -0.10 -1.13 0.00 0.00 0.00 179.25 178.15 3gdg n SER 247 N -2.97 2.05 -1.39 0.00 3.41 -0.12 -4.77 113.62 109.83 3gdg n SER 247 Ca 0.02 -2.46 -0.08 0.00 -0.26 0.00 0.00 58.87 56.10 3gdg n SER 247 Cb 0.40 -0.32 0.06 0.00 -0.26 0.00 0.00 64.21 64.09 3gdg n SER 247 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gdg n ASP 248 N -2.29 3.22 -0.60 4.04 9.92 -0.26 -3.69 116.55 126.90 3gdg n ASP 248 Ca 0.12 -2.52 0.12 0.00 -0.53 0.00 0.00 54.79 51.98 3gdg n ASP 248 Cb 0.55 -0.61 0.22 0.00 -0.64 0.00 0.00 41.12 40.64 3gdg n ASP 248 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3gdg n ALA 249 N -0.03 2.89 -2.74 2.24 0.00 -1.17 -4.19 120.51 117.50 3gdg n ALA 249 Ca 0.19 -0.57 0.01 0.00 0.00 0.00 0.00 53.44 53.07 3gdg n ALA 249 Cb 0.87 -0.95 0.05 0.00 0.00 0.00 0.00 19.45 19.42 3gdg n ALA 249 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gdg n SER 250 N 0.35 1.25 0.05 0.00 3.41 -1.24 -4.92 113.62 112.52 3gdg n SER 250 Ca 0.14 -2.03 0.03 0.00 -0.26 0.00 0.00 58.87 56.75 3gdg n SER 250 Cb 0.46 -0.37 0.16 0.00 -0.26 0.00 0.00 64.21 64.21 3gdg n SER 250 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3gdg n THR 251 N -0.39 1.62 -0.07 6.66 -2.24 -1.26 -0.59 114.28 118.01 3gdg n THR 251 Ca 0.05 0.57 0.02 0.00 -2.27 0.00 0.00 64.05 62.42 3gdg n THR 251 Cb 0.88 -1.57 0.07 0.00 -2.10 0.00 0.00 70.33 67.61 3gdg n THR 251 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gdg n TYR 252 N -1.70 0.20 -3.77 4.78 9.36 -1.26 -4.77 117.16 120.00 3gdg n TYR 252 Ca -0.00 -0.49 -0.37 0.00 3.32 0.00 0.00 57.90 60.35 3gdg n TYR 252 Cb 0.04 -0.04 -0.13 0.00 -0.63 0.00 0.00 39.34 38.59 3gdg n TYR 252 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 3gdg s THR 253 N -0.99 3.67 -0.06 2.97 -4.23 0.25 -5.05 115.64 112.19 3gdg s THR 253 Ca 0.10 -1.19 -0.06 0.00 -1.18 0.00 0.00 61.69 59.36 3gdg s THR 253 Cb 0.05 -3.09 0.02 0.00 1.34 0.00 0.00 72.50 70.82 3gdg s THR 253 CO 0.07 -0.18 0.17 0.28 -0.54 0.00 0.00 174.62 174.42 3gdg s THR 254 N 1.38 0.00 -0.14 3.99 -1.32 -1.26 -4.73 115.64 113.56 3gdg s THR 254 Ca -0.02 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 3gdg s THR 254 Cb -0.20 -0.25 0.00 0.00 -1.51 0.00 0.00 72.50 70.54 3gdg s THR 254 CO 0.02 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 3gdg n GLY 255 N 2.96 0.38 3.76 6.08 0.00 0.55 -4.93 105.19 114.00 3gdg n GLY 255 Ca -0.13 -0.90 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 3gdg n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gdg s ALA 256 N -2.07 3.52 -0.01 4.61 0.00 -1.24 -4.66 121.76 121.91 3gdg s ALA 256 Ca 0.00 -1.64 0.02 0.00 0.00 0.00 0.00 51.96 50.34 3gdg s ALA 256 Cb 0.00 -0.99 -0.00 0.00 0.00 0.00 0.00 23.12 22.12 3gdg s ALA 256 CO 0.00 0.14 -0.07 0.34 0.00 0.00 0.00 175.76 176.17 3gdg s ASP 257 N -3.84 0.84 -0.23 0.00 -1.08 -1.25 -0.25 116.67 110.85 3gdg s ASP 257 Ca 0.36 -0.13 0.01 0.00 -0.52 0.00 0.00 52.55 52.27 3gdg s ASP 257 Cb -0.06 -0.14 0.06 0.00 -1.46 0.00 0.00 42.92 41.33 3gdg s ASP 257 CO 0.24 0.07 -0.05 -0.22 0.52 0.00 0.00 175.17 175.72 3gdg s LEU 258 N -0.03 2.54 0.10 -1.34 2.96 -0.57 -4.98 118.68 117.37 3gdg s LEU 258 Ca 0.01 -1.16 -0.30 0.00 -0.22 0.00 0.00 54.13 52.45 3gdg s LEU 258 Cb -0.04 -1.17 -0.06 0.00 0.50 0.00 0.00 46.19 45.41 3gdg s LEU 258 CO -0.00 -0.23 1.19 -0.76 -1.32 0.00 0.00 176.35 175.22 3gdg s LEU 259 N 1.40 4.40 -0.51 -0.68 1.43 -1.26 -1.40 118.68 122.05 3gdg s LEU 259 Ca -0.06 2.07 0.03 0.00 -1.03 0.00 0.00 54.13 55.14 3gdg s LEU 259 Cb -0.19 -3.59 0.15 0.00 0.03 0.00 0.00 46.19 42.60 3gdg s LEU 259 CO -0.06 -0.42 0.33 -0.63 0.23 0.00 0.00 176.35 175.80 3gdg s ILE 260 N 0.70 1.68 -0.00 -0.59 1.01 0.31 -4.90 121.20 119.41 3gdg s ILE 260 Ca 0.57 -3.11 0.01 0.00 0.00 0.00 0.00 60.65 58.11 3gdg s ILE 260 Cb -0.30 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.03 3gdg s ILE 260 CO 0.31 -0.99 0.77 -0.90 0.00 0.00 0.00 174.94 174.13 3gdg n ASP 261 N 2.93 1.00 0.00 3.58 5.75 -1.26 0.05 116.55 128.60 3gdg n ASP 261 Ca 0.16 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.36 3gdg n ASP 261 Cb 0.37 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 3gdg n ASP 261 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gdg n GLY 262 N -0.28 0.43 0.20 6.12 0.00 -1.26 -2.66 105.19 107.74 3gdg n GLY 262 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3gdg n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdg n GLY 263 N -1.84 0.73 0.31 -0.02 0.00 -1.26 -2.90 105.19 100.21 3gdg n GLY 263 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 3gdg n GLY 263 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3gdg h TYR 264 N 0.00 0.74 0.00 1.61 5.03 -1.76 0.02 116.97 122.61 3gdg h TYR 264 Ca 0.00 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.35 3gdg h TYR 264 Cb 0.00 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.09 3gdg h TYR 264 CO 0.00 0.08 0.00 0.25 -1.32 0.00 0.00 178.16 177.17 3gdg n THR 265 N -4.94 0.00 0.18 1.81 -2.24 -1.26 -3.17 114.28 104.66 3gdg n THR 265 Ca 0.20 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.04 3gdg n THR 265 Cb 0.54 -0.43 0.20 0.00 -2.10 0.00 0.00 70.33 68.54 3gdg n THR 265 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gdg h THR 266 N 0.00 0.67 -0.03 4.28 1.03 -1.38 -3.52 112.91 113.96 3gdg h THR 266 Ca 0.00 -1.69 0.00 0.00 -0.01 0.00 0.00 66.41 64.71 3gdg h THR 266 Cb 0.00 2.14 0.00 0.00 -1.07 0.00 0.00 68.15 69.22 3gdg h THR 266 CO 0.00 0.34 0.00 0.54 -0.01 0.00 0.00 175.52 176.39