#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gdg h PRO 2 N 0.00 -0.25 0.00 0.03 0.13 -2.00 -3.52 132.00 126.39 3gdg h PRO 2 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3gdg h PRO 2 Cb 0.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 3gdg h PRO 2 CO 0.00 -0.16 0.00 0.41 -0.23 0.00 0.00 178.00 178.02 3gdg n GLY 3 N -0.74 1.42 3.44 1.56 0.00 -1.26 -4.91 105.19 104.69 3gdg n GLY 3 Ca -0.03 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 3gdg n GLY 3 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gdg s GLN 4 N 0.00 3.31 0.29 1.61 -0.21 -1.25 -4.77 119.66 118.63 3gdg s GLN 4 Ca 0.00 -0.63 0.03 0.00 0.02 0.00 0.00 55.36 54.78 3gdg s GLN 4 Cb 0.00 -2.68 -0.03 0.00 1.00 0.00 0.00 33.01 31.30 3gdg s GLN 4 CO 0.00 0.31 0.45 -0.65 -2.12 0.00 0.00 175.29 173.28 3gdg s GLN 5 N 0.12 3.47 0.83 2.91 1.11 -1.26 -5.09 119.66 121.74 3gdg s GLN 5 Ca -0.04 -0.54 -0.11 0.00 0.01 0.00 0.00 55.36 54.68 3gdg s GLN 5 Cb -0.14 -2.78 0.09 0.00 -1.01 0.00 0.00 33.01 29.16 3gdg s GLN 5 CO 0.04 0.30 1.10 0.00 0.01 0.00 0.00 175.29 176.74 3gdg s ALA 6 N -2.12 1.90 0.56 6.09 0.00 -1.26 -4.97 121.76 121.96 3gdg s ALA 6 Ca 0.37 0.23 -0.21 0.00 0.00 0.00 0.00 51.96 52.35 3gdg s ALA 6 Cb -0.09 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 3gdg s ALA 6 CO 0.32 -2.11 1.17 2.41 0.00 0.00 0.00 175.76 177.55 3gdg n THR 7 N -3.75 3.71 1.55 0.00 -1.04 -1.26 -4.90 114.28 108.59 3gdg n THR 7 Ca 0.09 -0.50 0.14 0.00 -2.04 0.00 0.00 64.05 61.74 3gdg n THR 7 Cb 0.53 -1.40 0.60 0.00 -1.82 0.00 0.00 70.33 68.25 3gdg n THR 7 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3gdg n LYS 8 N -0.94 1.29 -4.26 -2.82 5.02 -1.26 -4.85 118.16 110.34 3gdg n LYS 8 Ca 0.12 -0.61 -0.34 0.00 -2.02 0.00 0.00 58.31 55.46 3gdg n LYS 8 Cb 0.45 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.86 3gdg n LYS 8 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3gdg s HIS 9 N -2.13 3.11 0.04 2.13 3.76 -1.26 -4.96 115.29 115.98 3gdg s HIS 9 Ca 0.37 -0.16 0.09 0.00 -0.15 0.00 0.00 55.06 55.21 3gdg s HIS 9 Cb 0.21 -2.00 -0.22 0.00 1.11 0.00 0.00 32.58 31.68 3gdg s HIS 9 CO 0.39 0.04 0.98 0.93 -0.85 0.00 0.00 174.74 176.23 3gdg h GLU 10 N 6.68 0.02 -6.64 1.40 4.39 -1.99 -3.45 114.58 114.97 3gdg h GLU 10 Ca -0.33 -0.03 -0.52 0.00 0.34 0.00 0.00 59.36 58.82 3gdg h GLU 10 Cb 1.18 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.86 3gdg h GLU 10 CO 0.66 0.79 0.55 0.45 -1.16 0.00 0.00 179.01 180.29 3gdg s SER 11 N -6.46 7.11 0.18 1.42 0.15 -1.26 -4.93 113.70 109.91 3gdg s SER 11 Ca -0.02 2.18 0.08 0.00 0.70 0.00 0.00 55.95 58.89 3gdg s SER 11 Cb 0.09 -2.60 0.03 0.00 -1.71 0.00 0.00 66.02 61.83 3gdg s SER 11 CO 0.82 -0.36 1.42 0.25 1.20 0.00 0.00 173.24 176.57 3gdg h LEU 12 N 5.43 0.03 -0.89 3.45 7.12 -1.99 -2.49 115.31 125.97 3gdg h LEU 12 Ca -0.44 -0.03 -0.10 0.00 0.13 0.00 0.00 57.88 57.44 3gdg h LEU 12 Cb 1.21 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 41.32 3gdg h LEU 12 CO 0.75 0.86 -0.23 -0.07 -0.13 0.00 0.00 178.44 179.62 3gdg h LEU 13 N 0.01 0.56 -0.69 2.25 3.38 -1.99 -1.71 115.31 117.12 3gdg h LEU 13 Ca -0.01 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 3gdg h LEU 13 Cb 1.48 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 3gdg h LEU 13 CO 0.11 0.79 -0.41 0.44 0.09 0.00 0.00 178.44 179.45 3gdg h ASP 14 N 0.50 0.00 -0.17 -0.43 3.45 -1.91 -1.83 116.42 116.02 3gdg h ASP 14 Ca 0.07 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.46 3gdg h ASP 14 Cb 0.66 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.43 3gdg h ASP 14 CO 0.05 0.41 -0.17 1.56 -1.57 0.00 0.00 179.24 179.53 3gdg h GLN 15 N 0.00 0.42 -0.13 3.56 4.20 -0.92 -3.28 115.11 118.95 3gdg h GLN 15 Ca -0.00 -0.22 -0.22 0.00 0.06 0.00 0.00 58.65 58.27 3gdg h GLN 15 Cb 1.03 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.83 3gdg h GLN 15 CO 0.05 0.78 -0.78 -0.07 -0.67 0.00 0.00 178.83 178.15 3gdg h LEU 16 N 0.07 0.83 -9.27 1.46 3.38 -1.30 -1.19 115.31 109.29 3gdg h LEU 16 Ca 0.03 -0.55 -0.68 0.00 0.09 0.00 0.00 57.88 56.77 3gdg h LEU 16 Cb 0.70 -0.24 0.05 0.00 0.09 0.00 0.00 40.66 41.25 3gdg h LEU 16 CO 0.04 1.33 0.57 -1.54 0.09 0.00 0.00 178.44 178.94 3gdg n SER 17 N -3.91 1.94 -1.31 -0.43 3.41 -0.69 -4.79 113.62 107.85 3gdg n SER 17 Ca -0.07 1.11 0.01 0.00 -0.26 0.00 0.00 58.87 59.66 3gdg n SER 17 Cb 0.74 -1.21 0.26 0.00 -0.26 0.00 0.00 64.21 63.74 3gdg n SER 17 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gdg n LEU 18 N 3.15 4.64 -4.73 1.04 4.77 0.26 -4.83 117.00 121.31 3gdg n LEU 18 Ca 0.20 -3.27 -0.42 0.00 -0.03 0.00 0.00 56.01 52.49 3gdg n LEU 18 Cb 0.19 -0.63 -0.02 0.00 -2.33 0.00 0.00 43.42 40.63 3gdg n LEU 18 CO 0.65 0.86 1.25 -0.54 -1.33 0.00 0.00 177.39 178.28 3gdg s LYS 19 N -2.99 4.17 0.00 3.23 1.02 -0.24 -1.95 119.74 122.99 3gdg s LYS 19 Ca 0.47 2.48 0.00 0.00 0.02 0.00 0.00 55.97 58.94 3gdg s LYS 19 Cb 0.39 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.61 3gdg s LYS 19 CO 0.08 -0.62 0.00 0.41 -0.92 0.00 0.00 175.35 174.30 3gdg n GLY 20 N 3.07 0.38 3.15 -3.33 0.00 -1.26 -5.03 105.19 102.17 3gdg n GLY 20 Ca 0.11 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.25 0.81 -0.06 1.61 1.02 -0.82 -5.08 119.74 114.96 3gdg s LYS 21 Ca 0.00 -1.33 0.06 0.00 0.02 0.00 0.00 55.97 54.71 3gdg s LYS 21 Cb 0.00 -0.05 -0.01 0.00 -0.52 0.00 0.00 37.83 37.25 3gdg s LYS 21 CO 0.00 -0.08 -0.24 0.08 -0.92 0.00 0.00 175.35 174.19 3gdg s VAL 22 N -3.75 2.18 -0.04 3.17 1.01 -1.26 -2.19 120.40 119.52 3gdg s VAL 22 Ca 0.13 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.10 3gdg s VAL 22 Cb 0.06 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.66 3gdg s VAL 22 CO -0.05 0.57 -0.05 0.68 0.00 0.00 0.00 175.10 176.26 3gdg s VAL 23 N -0.21 0.53 -0.08 2.92 -7.23 -0.76 0.27 120.40 115.85 3gdg s VAL 23 Ca -0.02 -0.14 0.02 0.00 -1.81 0.00 0.00 61.98 60.03 3gdg s VAL 23 Cb -0.13 -0.55 -0.02 0.00 0.56 0.00 0.00 36.38 36.24 3gdg s VAL 23 CO 0.03 0.21 -0.13 0.54 -0.31 0.00 0.00 175.10 175.44 3gdg s VAL 24 N 0.77 3.11 -0.12 1.32 0.11 -1.02 -1.37 120.40 123.20 3gdg s VAL 24 Ca -0.10 -0.69 0.03 0.00 -2.93 0.00 0.00 61.98 58.29 3gdg s VAL 24 Cb -0.13 -2.25 0.01 0.00 -1.53 0.00 0.00 36.38 32.48 3gdg s VAL 24 CO 0.00 0.57 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.44 3gdg s VAL 25 N -0.39 1.94 0.31 2.04 1.01 0.97 -1.52 120.40 124.76 3gdg s VAL 25 Ca 0.04 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 3gdg s VAL 25 Cb -0.12 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 3gdg s VAL 25 CO 0.02 0.53 0.60 0.42 0.00 0.00 0.00 175.10 176.67 3gdg s THR 26 N 0.72 4.97 -1.47 3.92 -4.23 -1.18 -1.84 115.64 116.53 3gdg s THR 26 Ca -0.10 0.17 -0.05 0.00 -1.18 0.00 0.00 61.69 60.53 3gdg s THR 26 Cb -0.16 -3.73 0.02 0.00 1.34 0.00 0.00 72.50 69.97 3gdg s THR 26 CO 0.01 -0.37 0.49 0.61 -0.54 0.00 0.00 174.62 174.82 3gdg n GLY 27 N -1.02 -0.51 2.54 3.99 0.00 -1.22 -4.57 105.19 104.39 3gdg n GLY 27 Ca -0.01 0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.34 5.94 -0.49 4.61 0.00 -1.19 -4.38 120.51 121.66 3gdg n ALA 28 Ca -0.10 -3.95 0.11 0.00 0.00 0.00 0.00 53.44 49.49 3gdg n ALA 28 Cb 0.61 -1.37 0.35 0.00 0.00 0.00 0.00 19.45 19.03 3gdg n ALA 28 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gdg n SER 29 N -0.65 4.39 -4.65 0.00 3.41 -1.26 -4.47 113.62 110.40 3gdg n SER 29 Ca 0.52 -2.21 -0.24 0.00 -0.26 0.00 0.00 58.87 56.68 3gdg n SER 29 Cb 0.54 -0.54 -0.08 0.00 -0.26 0.00 0.00 64.21 63.88 3gdg n SER 29 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3gdg s GLY 30 N -0.95 1.87 0.03 5.00 0.00 -1.26 -3.22 107.32 108.79 3gdg s GLY 30 Ca 0.51 -1.81 -0.28 0.00 0.00 0.00 0.00 44.72 43.15 3gdg s GLY 30 CO 0.30 -1.80 1.35 -2.55 0.00 0.00 0.00 173.10 170.40 3gdg h PRO 31 N 1.81 -0.64 -2.11 2.90 0.11 -1.92 -3.39 132.00 128.75 3gdg h PRO 31 Ca -0.43 0.04 -0.56 0.00 0.11 0.00 0.00 66.00 65.16 3gdg h PRO 31 Cb 1.25 0.14 -0.41 0.00 0.11 0.00 0.00 31.00 32.10 3gdg h PRO 31 CO 0.63 -0.34 -0.88 0.36 -0.21 0.00 0.00 178.00 177.56 3gdg n LYS 32 N -5.29 1.80 -4.41 1.05 2.85 -1.26 -4.87 118.16 108.02 3gdg n LYS 32 Ca -0.11 -4.01 -0.26 0.00 -1.05 0.00 0.00 58.31 52.88 3gdg n LYS 32 Cb 0.31 -1.82 -0.09 0.00 -0.65 0.00 0.00 35.03 32.78 3gdg n LYS 32 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3gdg s GLY 33 N -2.23 2.30 0.27 2.58 0.00 -1.26 -4.56 107.32 104.41 3gdg s GLY 33 Ca 0.40 -2.13 -0.01 0.00 0.00 0.00 0.00 44.72 42.98 3gdg s GLY 33 CO -0.08 -1.99 1.78 -0.33 0.00 0.00 0.00 173.10 172.48 3gdg h MET 34 N 1.73 0.69 0.75 2.90 2.86 -1.91 -2.42 114.93 119.53 3gdg h MET 34 Ca -0.43 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.13 3gdg h MET 34 Cb 1.25 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.75 3gdg h MET 34 CO 0.73 0.46 -0.41 0.78 1.06 0.00 0.00 176.91 179.52 3gdg h GLY 35 N 0.71 -1.19 0.82 8.32 0.00 -1.86 -2.13 103.07 107.74 3gdg h GLY 35 Ca 0.47 0.47 0.03 0.00 0.00 0.00 0.00 47.33 48.30 3gdg h GLY 35 CO -0.33 -0.41 0.26 1.19 0.00 0.00 0.00 176.54 177.25 3gdg h ILE 36 N -1.07 1.01 -0.40 2.60 2.10 -1.75 -0.90 117.51 119.10 3gdg h ILE 36 Ca -0.10 -0.18 0.12 0.00 1.08 0.00 0.00 64.86 65.78 3gdg h ILE 36 Cb 0.84 0.44 -0.02 0.00 -1.09 0.00 0.00 36.82 36.99 3gdg h ILE 36 CO 0.13 0.10 0.32 -0.33 -1.08 0.00 0.00 178.15 177.29 3gdg h GLU 37 N 0.52 0.00 -0.10 2.19 4.39 -1.42 0.44 114.58 120.60 3gdg h GLU 37 Ca 0.20 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.73 3gdg h GLU 37 Cb 0.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3gdg h GLU 37 CO -0.12 0.00 -0.68 0.00 -1.16 0.00 0.00 179.01 177.05 3gdg h ALA 38 N 1.73 0.64 0.03 3.43 0.00 -0.47 -2.14 119.26 122.47 3gdg h ALA 38 Ca 0.19 -0.58 -0.22 0.00 0.00 0.00 0.00 54.91 54.30 3gdg h ALA 38 Cb 0.83 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3gdg h ALA 38 CO -0.00 0.74 -0.99 0.00 0.00 0.00 0.00 179.25 179.00 3gdg h ALA 39 N 0.96 0.38 0.02 0.00 0.00 -0.18 -2.82 119.26 117.62 3gdg h ALA 39 Ca -0.02 -0.79 -0.00 0.00 0.00 0.00 0.00 54.91 54.10 3gdg h ALA 39 Cb 1.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3gdg h ALA 39 CO 0.12 0.97 -0.01 0.00 0.00 0.00 0.00 179.25 180.33 3gdg h ARG 40 N 0.09 -0.02 -0.12 0.00 3.08 -0.25 -0.11 114.38 117.05 3gdg h ARG 40 Ca -0.06 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.03 3gdg h ARG 40 Cb 1.66 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.67 3gdg h ARG 40 CO 0.15 0.21 -0.14 0.78 -1.07 0.00 0.00 179.97 179.90 3gdg h GLY 41 N -0.25 -0.07 0.76 0.04 0.00 -1.45 0.14 103.07 102.23 3gdg h GLY 41 Ca -0.00 0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.53 3gdg h GLY 41 CO 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 176.54 176.48 3gdg h ALA 43 N 1.18 1.00 -0.55 0.00 0.00 -0.65 0.25 119.26 120.48 3gdg h ALA 43 Ca 0.12 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.15 3gdg h ALA 43 Cb 0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3gdg h ALA 43 CO -0.13 0.01 0.37 1.49 0.00 0.00 0.00 179.25 180.98 3gdg h GLU 44 N 0.66 0.40 -0.02 0.00 4.81 0.18 0.84 114.58 121.44 3gdg h GLU 44 Ca 0.35 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 3gdg h GLU 44 Cb 0.32 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3gdg h GLU 44 CO -0.24 0.26 0.00 -1.33 -0.73 0.00 0.00 179.01 176.97 3gdg n MET 45 N -4.47 0.90 -2.66 1.92 2.81 0.86 -4.88 117.12 111.59 3gdg n MET 45 Ca 0.08 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.95 3gdg n MET 45 Cb 0.32 -1.01 0.00 0.00 -0.71 0.00 0.00 33.22 31.82 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 0.39 -1.08 3.13 3.03 0.00 0.29 -0.57 105.19 110.37 3gdg n GLY 46 Ca 0.00 0.53 -0.09 0.00 0.00 0.00 0.00 46.02 46.46 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 -2.76 -0.01 -0.06 4.61 0.00 -1.22 -1.08 121.76 121.24 3gdg s ALA 47 Ca 0.06 -0.66 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 3gdg s ALA 47 Cb -0.02 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.37 3gdg s ALA 47 CO 0.59 -0.36 1.07 0.00 0.00 0.00 0.00 175.76 177.06 3gdg s ALA 48 N -3.02 3.39 -0.12 0.00 0.00 -0.93 -4.53 121.76 116.54 3gdg s ALA 48 Ca -0.01 0.51 0.03 0.00 0.00 0.00 0.00 51.96 52.49 3gdg s ALA 48 Cb 0.01 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 3gdg s ALA 48 CO -0.07 -0.57 -0.21 0.08 0.00 0.00 0.00 175.76 174.99 3gdg s VAL 49 N 1.82 2.28 -0.17 0.00 1.01 -0.28 -1.82 120.40 123.25 3gdg s VAL 49 Ca 0.52 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 3gdg s VAL 49 Cb -0.21 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 3gdg s VAL 49 CO 0.22 0.55 -0.05 0.00 0.00 0.00 0.00 175.10 175.81 3gdg s ALA 50 N 0.47 2.90 0.41 5.51 0.00 -0.47 -2.67 121.76 127.91 3gdg s ALA 50 Ca -0.14 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 50.98 3gdg s ALA 50 Cb -0.17 -1.55 -0.06 0.00 0.00 0.00 0.00 23.12 21.34 3gdg s ALA 50 CO 0.06 0.06 0.11 0.96 0.00 0.00 0.00 175.76 176.95 3gdg s ILE 51 N 0.64 2.22 0.18 0.00 -4.36 -0.73 -0.02 121.20 119.13 3gdg s ILE 51 Ca -0.03 -1.82 0.01 0.00 -0.26 0.00 0.00 60.65 58.55 3gdg s ILE 51 Cb -0.15 -2.99 -0.04 0.00 1.25 0.00 0.00 42.46 40.53 3gdg s ILE 51 CO 0.02 -0.01 0.05 0.42 0.24 0.00 0.00 174.94 175.66 3gdg s THR 52 N -2.63 0.42 -0.11 8.37 -4.23 -0.77 -1.29 115.64 115.40 3gdg s THR 52 Ca 0.39 -1.96 -0.12 0.00 -1.18 0.00 0.00 61.69 58.81 3gdg s THR 52 Cb 0.06 -2.23 0.03 0.00 1.34 0.00 0.00 72.50 71.70 3gdg s THR 52 CO 0.21 -0.34 0.33 -0.72 -0.54 0.00 0.00 174.62 173.56 3gdg s TYR 53 N -3.84 -0.34 -0.00 3.99 -0.85 -0.41 -3.18 117.35 112.72 3gdg s TYR 53 Ca 0.28 0.81 -0.06 0.00 -0.52 0.00 0.00 57.07 57.59 3gdg s TYR 53 Cb 0.07 0.12 -0.03 0.00 0.38 0.00 0.00 41.96 42.50 3gdg s TYR 53 CO 0.06 -0.20 0.69 0.00 -1.52 0.00 0.00 175.55 174.57 3gdg h ALA 54 N 5.39 -0.66 -1.94 9.51 0.00 -1.89 -0.62 119.26 129.05 3gdg h ALA 54 Ca -0.27 -0.05 -0.56 0.00 0.00 0.00 0.00 54.91 54.04 3gdg h ALA 54 Cb 1.19 0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.93 3gdg h ALA 54 CO 0.31 -0.64 -0.49 -1.54 0.00 0.00 0.00 179.25 176.89 3gdg s SER 55 N -2.97 2.62 -0.11 0.00 1.04 -1.26 -4.48 113.70 108.54 3gdg s SER 55 Ca -0.03 -1.75 -0.10 0.00 0.48 0.00 0.00 55.95 54.55 3gdg s SER 55 Cb 0.00 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.74 3gdg s SER 55 CO 0.09 -1.02 0.16 -2.11 0.98 0.00 0.00 173.24 171.35 3gdg n ARG 56 N -0.88 -0.61 -1.74 4.02 1.85 -1.26 -4.61 116.66 113.44 3gdg n ARG 56 Ca -0.03 0.76 -0.20 0.00 -1.00 0.00 0.00 57.85 57.39 3gdg n ARG 56 Cb 0.64 -1.01 -0.06 0.00 -1.05 0.00 0.00 32.46 30.98 3gdg n ARG 56 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3gdg s ALA 57 N -0.90 1.10 0.00 2.89 0.00 -1.26 -4.52 121.76 119.07 3gdg s ALA 57 Ca 0.10 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.07 3gdg s ALA 57 Cb -0.01 -4.55 0.00 0.00 0.00 0.00 0.00 23.12 18.56 3gdg s ALA 57 CO 0.22 -5.43 0.00 0.94 0.00 0.00 0.00 175.76 171.49 3gdg n GLN 58 N 8.85 0.00 -0.24 0.00 7.27 -1.26 -4.84 117.38 127.16 3gdg n GLN 58 Ca 0.43 0.00 0.18 0.00 0.07 0.00 0.00 57.00 57.68 3gdg n GLN 58 Cb 0.45 0.00 0.49 0.00 2.41 0.00 0.00 30.24 33.60 3gdg n GLN 58 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 3gdg h GLY 59 N 0.00 0.91 0.37 1.69 0.00 -1.79 -2.59 103.07 101.66 3gdg h GLY 59 Ca 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.17 3gdg h GLY 59 CO 0.00 0.01 -0.19 0.00 0.00 0.00 0.00 176.54 176.36 3gdg h ALA 60 N 1.61 -0.13 -0.14 3.60 0.00 -1.82 -1.46 119.26 120.93 3gdg h ALA 60 Ca 0.46 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.46 3gdg h ALA 60 Cb 1.09 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 3gdg h ALA 60 CO -0.18 -0.64 -0.11 0.93 0.00 0.00 0.00 179.25 179.25 3gdg h GLU 61 N -0.24 -0.11 -0.54 0.00 4.39 -1.79 -0.72 114.58 115.58 3gdg h GLU 61 Ca 0.10 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.85 3gdg h GLU 61 Cb 0.39 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 3gdg h GLU 61 CO -0.28 -0.08 0.36 0.93 -1.16 0.00 0.00 179.01 178.78 3gdg h GLU 62 N -0.12 0.55 -0.47 2.33 4.39 -1.53 -0.76 114.58 118.98 3gdg h GLU 62 Ca 0.09 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 3gdg h GLU 62 Cb 0.25 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 3gdg h GLU 62 CO -0.21 0.37 0.05 -0.91 -1.16 0.00 0.00 179.01 177.15 3gdg h ASN 63 N 0.57 0.76 0.04 1.42 -0.26 -0.25 -0.36 115.58 117.51 3gdg h ASN 63 Ca 0.22 -0.27 0.02 0.00 -0.56 0.00 0.00 56.30 55.71 3gdg h ASN 63 Cb 0.17 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.20 3gdg h ASN 63 CO -0.06 0.85 -0.14 0.58 -1.06 0.00 0.00 177.43 177.59 3gdg h VAL 64 N 0.65 0.66 -0.91 2.81 2.07 0.21 0.40 116.25 122.13 3gdg h VAL 64 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 3gdg h VAL 64 Cb 0.42 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3gdg h VAL 64 CO 0.01 0.00 0.54 0.11 0.02 0.00 0.00 177.57 178.25 3gdg h LYS 65 N -0.26 1.24 -0.00 1.57 1.57 -1.12 -2.68 116.57 116.89 3gdg h LYS 65 Ca 0.04 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.56 3gdg h LYS 65 Cb 0.30 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3gdg h LYS 65 CO -0.11 0.88 -0.64 0.93 -0.57 0.00 0.00 179.45 179.94 3gdg h GLU 66 N 1.26 0.01 0.00 3.15 5.08 -0.46 -2.53 114.58 121.09 3gdg h GLU 66 Ca 0.33 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.54 3gdg h GLU 66 Cb -0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3gdg h GLU 66 CO -0.06 0.64 -0.65 -0.07 -1.00 0.00 0.00 179.01 177.88 3gdg h LEU 67 N 0.01 0.00 0.14 1.33 3.38 0.03 -2.85 115.31 117.35 3gdg h LEU 67 Ca -0.01 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3gdg h LEU 67 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3gdg h LEU 67 CO 0.08 0.65 -1.33 -0.33 0.09 0.00 0.00 178.44 177.60 3gdg h GLU 68 N 0.00 0.29 -0.24 1.13 5.08 -1.44 -3.10 114.58 116.30 3gdg h GLU 68 Ca -0.01 -0.49 -0.19 0.00 -1.00 0.00 0.00 59.36 57.67 3gdg h GLU 68 Cb 1.21 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.65 3gdg h GLU 68 CO 0.08 1.21 -0.61 1.57 -1.00 0.00 0.00 179.01 180.26 3gdg h LYS 69 N 0.08 0.81 0.00 2.33 2.10 -1.47 0.52 116.57 120.93 3gdg h LYS 69 Ca -0.17 -0.55 0.00 0.00 -2.00 0.00 0.00 60.65 57.93 3gdg h LYS 69 Cb 2.00 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 33.41 3gdg h LYS 69 CO 0.20 1.18 -0.91 0.25 -2.00 0.00 0.00 179.45 178.16 3gdg n THR 70 N -3.98 0.05 0.00 0.07 -2.24 -1.08 -4.47 114.28 102.63 3gdg n THR 70 Ca -0.05 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3gdg n THR 70 Cb 0.66 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 3gdg n THR 70 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3gdg n TYR 71 N -1.67 0.00 -2.87 4.78 4.01 -1.17 -5.05 117.16 115.19 3gdg n TYR 71 Ca 0.03 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.61 3gdg n TYR 71 Cb 0.37 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.43 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 1.69 -0.19 3.47 2.72 0.00 0.17 -4.92 105.19 108.13 3gdg n GLY 72 Ca 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.03 1.56 0.24 -0.61 -5.25 -1.25 -5.05 121.20 107.80 3gdg s ILE 73 Ca 0.25 -2.06 -0.30 0.00 -0.99 0.00 0.00 60.65 57.55 3gdg s ILE 73 Cb -0.11 -2.68 -0.09 0.00 2.95 0.00 0.00 42.46 42.54 3gdg s ILE 73 CO 0.30 -0.14 0.95 -0.54 -1.79 0.00 0.00 174.94 173.73 3gdg s LYS 74 N -3.78 4.84 0.23 0.37 -0.14 -1.26 -4.36 119.74 115.63 3gdg s LYS 74 Ca 0.33 1.51 -0.03 0.00 -1.36 0.00 0.00 55.97 56.42 3gdg s LYS 74 Cb 0.07 -3.28 -0.03 0.00 -1.68 0.00 0.00 37.83 32.91 3gdg s LYS 74 CO 0.14 0.48 0.24 0.00 -0.76 0.00 0.00 175.35 175.46 3gdg s ALA 75 N -1.12 0.85 -0.30 5.17 0.00 -1.26 -1.13 121.76 123.97 3gdg s ALA 75 Ca 0.42 -1.51 -0.25 0.00 0.00 0.00 0.00 51.96 50.62 3gdg s ALA 75 Cb -0.26 1.31 0.19 0.00 0.00 0.00 0.00 23.12 24.36 3gdg s ALA 75 CO 0.33 -0.67 1.45 0.21 0.00 0.00 0.00 175.76 177.07 3gdg s LYS 76 N -4.03 0.05 0.55 0.00 2.20 -1.09 -4.98 119.74 112.45 3gdg s LYS 76 Ca 0.35 0.06 -0.02 0.00 -0.36 0.00 0.00 55.97 56.00 3gdg s LYS 76 Cb 0.04 0.02 0.02 0.00 -1.51 0.00 0.00 37.83 36.41 3gdg s LYS 76 CO 0.13 -0.01 0.81 0.00 -0.36 0.00 0.00 175.35 175.92 3gdg s ALA 77 N 0.06 3.60 -0.23 3.13 0.00 -1.26 -1.77 121.76 125.29 3gdg s ALA 77 Ca 0.07 -1.02 -0.15 0.00 0.00 0.00 0.00 51.96 50.86 3gdg s ALA 77 Cb -0.05 -2.30 0.07 0.00 0.00 0.00 0.00 23.12 20.84 3gdg s ALA 77 CO -0.16 -0.72 0.58 0.71 0.00 0.00 0.00 175.76 176.17 3gdg s TYR 78 N -2.82 -0.83 -0.02 0.00 1.51 -0.41 -4.86 117.35 109.91 3gdg s TYR 78 Ca 0.54 1.74 -0.30 0.00 -1.01 0.00 0.00 57.07 58.04 3gdg s TYR 78 Cb -0.10 0.43 -0.03 0.00 -0.11 0.00 0.00 41.96 42.15 3gdg s TYR 78 CO 0.41 -0.42 1.05 0.21 -1.11 0.00 0.00 175.55 175.68 3gdg s LYS 79 N 1.31 4.48 -0.14 -0.62 2.20 -1.26 -1.28 119.74 124.43 3gdg s LYS 79 Ca -0.08 1.50 -0.10 0.00 -0.36 0.00 0.00 55.97 56.93 3gdg s LYS 79 Cb -0.06 -3.47 0.04 0.00 -1.51 0.00 0.00 37.83 32.83 3gdg s LYS 79 CO -0.14 -0.20 0.35 0.00 -0.36 0.00 0.00 175.35 175.01 3gdg s GLN 81 N 0.72 2.23 0.48 0.00 -0.21 -1.26 -3.64 119.66 117.98 3gdg s GLN 81 Ca -0.04 -2.32 0.29 0.00 0.02 0.00 0.00 55.36 53.31 3gdg s GLN 81 Cb -0.05 -3.58 1.37 0.00 1.00 0.00 0.00 33.01 31.75 3gdg s GLN 81 CO -0.05 -1.12 1.78 -0.39 -2.12 0.00 0.00 175.29 173.39 3gdg h VAL 82 N 5.69 0.42 0.00 1.09 -1.51 -1.95 0.19 116.25 120.19 3gdg h VAL 82 Ca -0.06 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 3gdg h VAL 82 Cb 0.97 0.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 3gdg h VAL 82 CO 0.69 0.03 0.00 -0.90 -1.23 0.00 0.00 177.57 176.16 3gdg n ASP 83 N -4.39 0.00 -4.20 4.19 5.75 -1.26 -4.36 116.55 112.28 3gdg n ASP 83 Ca 0.27 -0.44 -0.33 0.00 -0.01 0.00 0.00 54.79 54.27 3gdg n ASP 83 Cb 1.13 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 41.06 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 -1.95 3.25 0.19 -1.12 0.15 0.68 -4.91 113.70 109.99 3gdg s SER 84 Ca 0.16 -0.57 -0.06 0.00 0.70 0.00 0.00 55.95 56.18 3gdg s SER 84 Cb 0.07 -1.47 0.10 0.00 -1.71 0.00 0.00 66.02 63.01 3gdg s SER 84 CO 0.12 0.09 1.55 0.22 1.20 0.00 0.00 173.24 176.42 3gdg h TYR 85 N 7.29 0.90 -0.65 3.44 3.20 -1.84 -2.96 116.97 126.35 3gdg h TYR 85 Ca -0.32 -0.26 0.06 0.00 3.14 0.00 0.00 58.73 61.35 3gdg h TYR 85 Cb 1.19 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 39.22 3gdg h TYR 85 CO 0.48 1.01 0.36 0.93 -1.64 0.00 0.00 178.16 179.31 3gdg h GLU 86 N 0.63 0.66 -0.67 1.82 5.08 -1.94 0.37 114.58 120.52 3gdg h GLU 86 Ca 0.06 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3gdg h GLU 86 Cb 0.92 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 3gdg h GLU 86 CO 0.08 0.43 0.35 1.03 -1.00 0.00 0.00 179.01 179.91 3gdg h SER 87 N 0.68 0.84 -0.14 1.42 0.87 -1.80 0.20 113.55 115.61 3gdg h SER 87 Ca 0.29 -0.07 -0.13 0.00 -1.23 0.00 0.00 61.79 60.64 3gdg h SER 87 Cb 0.17 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 3gdg h SER 87 CO -0.18 0.69 -0.43 0.00 -0.53 0.00 0.00 176.83 176.38 3gdg h GLU 89 N 0.17 -0.13 -0.88 0.00 4.81 -0.65 0.53 114.58 118.43 3gdg h GLU 89 Ca -0.01 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3gdg h GLU 89 Cb 1.05 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 3gdg h GLU 89 CO 0.09 -0.09 0.58 -0.22 -0.73 0.00 0.00 179.01 178.64 3gdg h LYS 90 N -0.14 1.16 0.00 1.92 3.64 -0.54 -1.03 116.57 121.58 3gdg h LYS 90 Ca 0.08 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3gdg h LYS 90 Cb 0.25 -0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 3gdg h LYS 90 CO -0.19 0.77 -0.19 1.25 -2.27 0.00 0.00 179.45 178.83 3gdg h LEU 91 N 1.19 -0.55 -1.71 5.20 5.85 0.07 0.66 115.31 126.02 3gdg h LEU 91 Ca 0.32 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 59.09 3gdg h LEU 91 Cb -0.13 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 3gdg h LEU 91 CO -0.07 -0.25 -0.13 0.58 -0.34 0.00 0.00 178.44 178.23 3gdg h VAL 92 N -0.31 0.47 -0.01 1.05 2.07 -0.61 -0.97 116.25 117.94 3gdg h VAL 92 Ca 0.06 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3gdg h VAL 92 Cb 0.38 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3gdg h VAL 92 CO -0.17 0.13 -0.01 0.11 0.02 0.00 0.00 177.57 177.64 3gdg h LYS 93 N 0.00 0.02 0.37 1.57 1.57 -0.13 -2.89 116.57 117.07 3gdg h LYS 93 Ca -0.00 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3gdg h LYS 93 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3gdg h LYS 93 CO 0.02 0.56 -0.18 -0.44 -0.57 0.00 0.00 179.45 178.84 3gdg h ASP 94 N -0.52 -0.42 -0.56 0.86 3.32 -0.66 -3.03 116.42 115.40 3gdg h ASP 94 Ca 0.00 -0.13 0.11 0.00 0.02 0.00 0.00 57.03 57.04 3gdg h ASP 94 Cb 0.56 0.11 -0.11 0.00 0.22 0.00 0.00 39.33 40.11 3gdg h ASP 94 CO 0.00 -0.09 -0.14 0.58 -1.72 0.00 0.00 179.24 177.87 3gdg h VAL 95 N -0.78 0.44 -0.16 -1.35 2.07 -1.32 0.12 116.25 115.26 3gdg h VAL 95 Ca -0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.51 3gdg h VAL 95 Cb 0.52 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3gdg h VAL 95 CO 0.08 0.00 0.24 0.58 0.02 0.00 0.00 177.57 178.50 3gdg h VAL 96 N -0.00 0.30 0.00 2.57 2.07 -1.47 0.30 116.25 120.02 3gdg h VAL 96 Ca 0.27 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.53 3gdg h VAL 96 Cb 0.41 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 3gdg h VAL 96 CO -0.58 0.00 -1.85 0.00 0.02 0.00 0.00 177.57 175.16 3gdg n ALA 97 N -2.21 1.70 0.04 1.67 0.00 0.28 -1.15 120.51 120.83 3gdg n ALA 97 Ca 0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 53.44 52.58 3gdg n ALA 97 Cb 0.35 -0.68 -0.08 0.00 0.00 0.00 0.00 19.45 19.05 3gdg n ALA 97 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3gdg h ASP 98 N 0.00 0.00 0.00 0.00 3.32 -0.29 -3.38 116.42 116.07 3gdg h ASP 98 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3gdg h ASP 98 Cb 1.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.45 3gdg h ASP 98 CO 0.05 0.63 -1.20 0.49 -1.72 0.00 0.00 179.24 177.49 3gdg n PHE 99 N -2.95 0.00 0.00 4.55 3.72 0.97 -5.01 117.46 118.74 3gdg n PHE 99 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3gdg n PHE 99 Cb 0.86 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 39.25 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 1.96 3.08 3.69 1.37 0.00 -0.30 -4.95 105.19 110.04 3gdg n GLY 100 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.32 0.78 -0.08 1.61 -2.07 -1.25 -4.87 119.66 113.46 3gdg s GLN 101 Ca 0.00 -0.43 -0.01 0.00 -1.82 0.00 0.00 55.36 53.09 3gdg s GLN 101 Cb 0.00 0.26 0.03 0.00 -1.09 0.00 0.00 33.01 32.21 3gdg s GLN 101 CO 0.00 -0.36 -0.00 0.42 -1.32 0.00 0.00 175.29 174.03 3gdg s ILE 102 N -2.80 0.45 -0.20 3.63 1.01 -1.26 -4.61 121.20 117.42 3gdg s ILE 102 Ca 0.14 0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.79 3gdg s ILE 102 Cb 0.02 -0.61 -0.20 0.00 0.01 0.00 0.00 42.46 41.67 3gdg s ILE 102 CO -0.01 0.24 0.02 0.47 0.00 0.00 0.00 174.94 175.66 3gdg n ASP 103 N 5.12 2.03 -4.15 3.58 8.00 0.14 -4.84 116.55 126.43 3gdg n ASP 103 Ca -0.08 0.05 -0.19 0.00 0.71 0.00 0.00 54.79 55.29 3gdg n ASP 103 Cb 0.50 -0.64 -0.12 0.00 -0.02 0.00 0.00 41.12 40.83 3gdg n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gdg s ALA 104 N -2.53 1.13 -0.05 2.24 0.00 -0.65 -1.23 121.76 120.67 3gdg s ALA 104 Ca -0.30 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 50.73 3gdg s ALA 104 Cb 0.08 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.12 3gdg s ALA 104 CO 0.66 0.17 0.01 0.12 0.00 0.00 0.00 175.76 176.72 3gdg s PHE 105 N -1.13 0.45 -0.37 0.00 5.36 0.62 -2.43 117.98 120.48 3gdg s PHE 105 Ca -0.01 -0.03 -0.11 0.00 -0.96 0.00 0.00 56.93 55.82 3gdg s PHE 105 Cb -0.09 -0.63 0.02 0.00 -0.34 0.00 0.00 43.02 41.98 3gdg s PHE 105 CO 0.02 -0.25 0.21 0.42 -1.46 0.00 0.00 175.22 174.16 3gdg s ILE 106 N 1.77 4.65 -0.17 3.12 1.01 -0.58 -0.41 121.20 130.59 3gdg s ILE 106 Ca 0.01 -0.79 -0.18 0.00 0.00 0.00 0.00 60.65 59.70 3gdg s ILE 106 Cb -0.13 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 3gdg s ILE 106 CO -0.04 -0.21 0.48 0.00 0.00 0.00 0.00 174.94 175.17 3gdg s ALA 107 N 1.57 3.53 -0.02 9.38 0.00 0.11 -3.09 121.76 133.24 3gdg s ALA 107 Ca 0.03 -0.36 -0.00 0.00 0.00 0.00 0.00 51.96 51.62 3gdg s ALA 107 Cb -0.19 -2.71 0.03 0.00 0.00 0.00 0.00 23.12 20.25 3gdg s ALA 107 CO 0.07 -0.26 0.03 1.21 0.00 0.00 0.00 175.76 176.81 3gdg s ASN 108 N 0.95 0.20 -0.32 0.00 2.47 -1.26 -0.79 114.94 116.18 3gdg s ASN 108 Ca 0.23 0.04 0.03 0.00 0.42 0.00 0.00 52.86 53.59 3gdg s ASN 108 Cb -0.15 -0.08 0.17 0.00 -1.45 0.00 0.00 41.25 39.73 3gdg s ASN 108 CO 0.09 -0.14 0.45 0.00 -3.72 0.00 0.00 177.10 173.78 3gdg s ALA 109 N 1.20 -1.31 -0.53 1.71 0.00 -1.26 -4.50 121.76 117.07 3gdg s ALA 109 Ca -0.07 0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.94 3gdg s ALA 109 Cb -0.13 -2.21 0.48 0.00 0.00 0.00 0.00 23.12 21.26 3gdg s ALA 109 CO -0.03 -1.91 1.79 0.41 0.00 0.00 0.00 175.76 176.02 3gdg n GLY 110 N 5.00 5.76 3.71 0.00 0.00 -1.26 -4.50 105.19 113.90 3gdg n GLY 110 Ca 0.05 -2.16 -0.37 0.00 0.00 0.00 0.00 46.02 43.53 3gdg n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gdg n ALA 111 N -0.92 1.05 -2.63 4.61 0.00 -1.26 -4.99 120.51 116.37 3gdg n ALA 111 Ca 0.56 0.02 -0.28 0.00 0.00 0.00 0.00 53.44 53.73 3gdg n ALA 111 Cb 0.88 -2.29 -0.11 0.00 0.00 0.00 0.00 19.45 17.93 3gdg n ALA 111 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gdg s THR 112 N -1.39 1.90 -0.03 0.00 -4.23 -1.26 -4.89 115.64 105.74 3gdg s THR 112 Ca 0.80 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.36 3gdg s THR 112 Cb -0.39 -2.91 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 3gdg s THR 112 CO 0.43 0.00 -0.16 0.00 -0.54 0.00 0.00 174.62 174.34 3gdg s ALA 113 N -2.74 2.59 -0.31 3.99 0.00 -1.26 -4.92 121.76 119.12 3gdg s ALA 113 Ca 0.32 -1.03 0.14 0.00 0.00 0.00 0.00 51.96 51.39 3gdg s ALA 113 Cb 0.09 -0.88 0.38 0.00 0.00 0.00 0.00 23.12 22.71 3gdg s ALA 113 CO 0.16 0.56 1.29 -0.40 0.00 0.00 0.00 175.76 177.37 3gdg n ASP 114 N 2.19 3.16 -3.15 0.00 5.75 -1.26 -4.80 116.55 118.44 3gdg n ASP 114 Ca -0.17 -2.71 -0.06 0.00 -0.01 0.00 0.00 54.79 51.83 3gdg n ASP 114 Cb 0.52 -0.40 0.02 0.00 -1.03 0.00 0.00 41.12 40.23 3gdg n ASP 114 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3gdg s SER 115 N -1.84 -0.01 0.74 -1.12 1.04 -1.11 -4.90 113.70 106.50 3gdg s SER 115 Ca 0.32 -0.93 -0.03 0.00 0.48 0.00 0.00 55.95 55.79 3gdg s SER 115 Cb 0.25 0.71 0.07 0.00 0.10 0.00 0.00 66.02 67.15 3gdg s SER 115 CO 0.08 -1.40 0.45 0.61 0.98 0.00 0.00 173.24 173.96 3gdg n GLY 116 N -0.58 -0.21 0.12 7.32 0.00 -1.24 -3.81 105.19 106.79 3gdg n GLY 116 Ca -0.06 -1.84 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 3gdg n GLY 116 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3gdg h ILE 117 N -0.86 1.47 -0.55 -0.61 3.07 -1.94 0.16 117.51 118.25 3gdg h ILE 117 Ca -0.15 -2.78 -0.10 0.00 1.55 0.00 0.00 64.86 63.38 3gdg h ILE 117 Cb 0.47 2.67 -0.02 0.00 -0.27 0.00 0.00 36.82 39.67 3gdg h ILE 117 CO 0.13 0.82 -0.06 -0.07 -1.05 0.00 0.00 178.15 177.91 3gdg h LEU 118 N 0.13 0.99 0.10 0.16 4.07 -1.98 -3.15 115.31 115.64 3gdg h LEU 118 Ca -0.09 -0.30 -0.29 0.00 0.08 0.00 0.00 57.88 57.27 3gdg h LEU 118 Cb 1.74 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 43.20 3gdg h LEU 118 CO 0.17 1.08 -1.47 0.44 -1.08 0.00 0.00 178.44 177.59 3gdg h ASP 119 N 0.91 0.33 -4.32 -0.43 3.32 -1.94 -3.46 116.42 110.82 3gdg h ASP 119 Ca 0.15 -0.45 -0.49 0.00 0.02 0.00 0.00 57.03 56.26 3gdg h ASP 119 Cb 0.61 -0.11 0.10 0.00 0.22 0.00 0.00 39.33 40.16 3gdg h ASP 119 CO 0.04 1.37 0.35 -0.83 -1.72 0.00 0.00 179.24 178.45 3gdg s GLY 120 N -4.91 1.63 0.57 2.75 0.00 0.56 -4.93 107.32 102.99 3gdg s GLY 120 Ca -0.07 -0.17 0.06 0.00 0.00 0.00 0.00 44.72 44.54 3gdg s GLY 120 CO 0.85 0.23 0.78 -1.35 0.00 0.00 0.00 173.10 173.62 3gdg s SER 121 N -3.93 5.09 0.22 1.64 1.04 -1.26 -4.82 113.70 111.67 3gdg s SER 121 Ca 0.60 -0.57 -0.04 0.00 0.48 0.00 0.00 55.95 56.41 3gdg s SER 121 Cb -0.14 -0.09 0.20 0.00 0.10 0.00 0.00 66.02 66.09 3gdg s SER 121 CO 0.54 -1.30 1.65 0.58 0.98 0.00 0.00 173.24 175.69 3gdg h VAL 122 N 0.12 1.26 -0.83 5.02 2.07 -1.97 -2.76 116.25 119.17 3gdg h VAL 122 Ca -0.35 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 3gdg h VAL 122 Cb 1.28 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 3gdg h VAL 122 CO 0.43 0.43 0.47 -0.08 0.02 0.00 0.00 177.57 178.83 3gdg h GLU 123 N 0.71 1.15 0.00 1.57 4.57 -1.99 -0.36 114.58 120.23 3gdg h GLU 123 Ca 0.11 -0.12 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 3gdg h GLU 123 Cb 0.67 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3gdg h GLU 123 CO 0.05 0.83 -0.13 0.00 -1.18 0.00 0.00 179.01 178.58 3gdg h ALA 124 N 1.25 1.79 0.10 2.92 0.00 -1.88 -1.39 119.26 122.05 3gdg h ALA 124 Ca 0.29 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 3gdg h ALA 124 Cb 0.01 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.79 3gdg h ALA 124 CO -0.05 0.16 -0.66 2.35 0.00 0.00 0.00 179.25 181.04 3gdg h TRP 125 N 0.00 0.47 -0.63 0.00 7.01 -1.16 -3.23 115.95 118.42 3gdg h TRP 125 Ca -0.00 -0.33 0.11 0.00 2.11 0.00 0.00 58.89 60.78 3gdg h TRP 125 Cb 0.22 -0.02 -0.08 0.00 -2.10 0.00 0.00 29.16 27.18 3gdg h TRP 125 CO 0.00 1.24 0.19 -0.91 -2.79 0.00 0.00 178.44 176.17 3gdg h ASN 126 N -0.43 0.13 -0.69 2.65 2.35 -0.69 -0.87 115.58 118.03 3gdg h ASN 126 Ca -0.11 0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 3gdg h ASN 126 Cb 1.50 0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.95 3gdg h ASN 126 CO 0.13 0.07 0.17 -0.74 -1.65 0.00 0.00 177.43 175.41 3gdg h HIS 127 N 0.34 1.16 -0.15 1.19 -0.00 -1.39 0.73 115.15 117.03 3gdg h HIS 127 Ca 0.33 -0.13 -0.21 0.00 -0.00 0.00 0.00 60.37 60.36 3gdg h HIS 127 Cb 0.46 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.54 3gdg h HIS 127 CO -0.21 0.94 -0.73 0.28 -0.00 0.00 0.00 177.93 178.22 3gdg h VAL 128 N 1.06 1.30 0.17 5.26 2.07 -1.48 -2.53 116.25 122.10 3gdg h VAL 128 Ca 0.22 -1.97 -0.01 0.00 0.82 0.00 0.00 66.70 65.76 3gdg h VAL 128 Cb 0.36 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 3gdg h VAL 128 CO 0.00 0.62 -0.08 0.58 0.02 0.00 0.00 177.57 178.71 3gdg h VAL 129 N 0.48 0.95 -0.54 2.57 2.07 -1.05 0.22 116.25 120.96 3gdg h VAL 129 Ca -0.04 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 66.89 3gdg h VAL 129 Cb 1.33 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.39 3gdg h VAL 129 CO 0.14 0.14 0.32 -0.61 0.02 0.00 0.00 177.57 177.58 3gdg h GLN 130 N -0.54 0.61 0.26 1.57 5.75 -0.94 0.58 115.11 122.40 3gdg h GLN 130 Ca -0.02 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 3gdg h GLN 130 Cb 0.41 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.82 3gdg h GLN 130 CO 0.04 0.40 -0.12 0.28 -2.65 0.00 0.00 178.83 176.78 3gdg h VAL 131 N 0.63 0.19 -0.06 2.39 2.07 -1.50 0.45 116.25 120.42 3gdg h VAL 131 Ca 0.22 -0.83 -0.14 0.00 0.82 0.00 0.00 66.70 66.78 3gdg h VAL 131 Cb 0.03 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3gdg h VAL 131 CO -0.10 0.05 -0.58 0.44 0.02 0.00 0.00 177.57 177.40 3gdg h ASP 132 N -1.06 0.21 0.00 0.57 3.45 -0.98 -3.00 116.42 115.61 3gdg h ASP 132 Ca -0.04 -0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.31 3gdg h ASP 132 Cb 0.35 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.06 3gdg h ASP 132 CO 0.06 0.75 -0.65 -0.11 -1.57 0.00 0.00 179.24 177.71 3gdg n LEU 133 N -3.88 1.31 -0.00 1.55 7.94 0.19 -4.19 117.00 119.93 3gdg n LEU 133 Ca -0.02 0.22 0.09 0.00 -1.11 0.00 0.00 56.01 55.19 3gdg n LEU 133 Cb 0.60 -0.64 0.51 0.00 0.53 0.00 0.00 43.42 44.42 3gdg n LEU 133 CO 0.44 -0.36 1.16 0.78 -1.11 0.00 0.00 177.39 178.30 3gdg h ASN 134 N -0.65 0.33 0.23 1.96 2.35 -1.14 -1.48 115.58 117.18 3gdg h ASN 134 Ca 0.00 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3gdg h ASN 134 Cb 0.65 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.95 3gdg h ASN 134 CO 0.00 0.22 -0.11 1.23 -1.65 0.00 0.00 177.43 177.12 3gdg h GLY 135 N 0.38 -0.32 0.58 2.83 0.00 -0.75 0.34 103.07 106.12 3gdg h GLY 135 Ca 0.19 0.12 0.09 0.00 0.00 0.00 0.00 47.33 47.73 3gdg h GLY 135 CO -0.05 -0.12 0.57 -0.84 0.00 0.00 0.00 176.54 176.10 3gdg h THR 136 N -0.49 0.97 -0.53 4.70 2.02 -1.59 0.48 112.91 118.46 3gdg h THR 136 Ca -0.03 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 3gdg h THR 136 Cb 0.37 -0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 3gdg h THR 136 CO 0.05 0.17 0.26 0.15 0.37 0.00 0.00 175.52 176.53 3gdg h PHE 137 N 0.96 0.72 -0.57 3.16 3.57 -0.84 -1.10 116.94 122.84 3gdg h PHE 137 Ca 0.43 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.81 3gdg h PHE 137 Cb 0.34 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3gdg h PHE 137 CO -0.03 0.53 -0.06 0.45 -2.23 0.00 0.00 178.31 176.97 3gdg h HIS 138 N 0.74 1.15 0.63 0.41 3.86 0.39 -2.04 115.15 120.30 3gdg h HIS 138 Ca 0.19 -0.22 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 3gdg h HIS 138 Cb 0.06 -0.29 0.01 0.00 1.06 0.00 0.00 27.41 28.25 3gdg h HIS 138 CO 0.01 1.04 -0.30 0.00 0.86 0.00 0.00 177.93 179.53 3gdg h ALA 140 N -0.65 -0.79 -0.47 0.00 0.00 -1.18 -0.48 119.26 115.68 3gdg h ALA 140 Ca -0.09 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.85 3gdg h ALA 140 Cb 0.68 0.99 -0.06 0.00 0.00 0.00 0.00 17.79 19.41 3gdg h ALA 140 CO 0.14 -0.98 0.16 -0.22 0.00 0.00 0.00 179.25 178.35 3gdg h LYS 141 N -0.45 0.31 -0.85 0.00 3.64 -1.42 1.00 116.57 118.81 3gdg h LYS 141 Ca 0.04 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3gdg h LYS 141 Cb 0.56 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 3gdg h LYS 141 CO -0.42 0.21 0.40 0.00 -2.27 0.00 0.00 179.45 177.37 3gdg h ALA 142 N 1.32 1.10 0.13 5.00 0.00 -1.05 -2.87 119.26 122.89 3gdg h ALA 142 Ca 0.23 -0.17 -0.29 0.00 0.00 0.00 0.00 54.91 54.68 3gdg h ALA 142 Cb 0.24 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3gdg h ALA 142 CO -0.24 0.67 -1.36 -0.39 0.00 0.00 0.00 179.25 177.93 3gdg h VAL 143 N 1.21 1.37 -0.80 0.00 -1.51 -0.66 -3.34 116.25 112.52 3gdg h VAL 143 Ca 0.29 -2.95 0.18 0.00 -1.23 0.00 0.00 66.70 62.98 3gdg h VAL 143 Cb 0.13 2.88 -0.15 0.00 -2.13 0.00 0.00 31.29 32.03 3gdg h VAL 143 CO -0.04 0.86 -0.10 1.23 -1.23 0.00 0.00 177.57 178.29 3gdg h GLY 144 N 1.57 0.74 0.55 5.19 0.00 0.13 0.13 103.07 111.37 3gdg h GLY 144 Ca -0.18 0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.40 3gdg h GLY 144 CO 0.19 -0.32 0.00 0.45 0.00 0.00 0.00 176.54 176.86 3gdg h HIS 145 N 0.04 -0.01 -0.08 5.60 3.86 -1.65 0.19 115.15 123.10 3gdg h HIS 145 Ca 0.41 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.66 3gdg h HIS 145 Cb 0.70 0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.20 3gdg h HIS 145 CO -0.54 -0.05 -0.01 1.25 0.86 0.00 0.00 177.93 179.44 3gdg h HIS 146 N 0.09 -0.03 -0.36 2.45 6.17 -0.97 -2.59 115.15 119.90 3gdg h HIS 146 Ca 0.14 0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.25 3gdg h HIS 146 Cb 0.18 0.02 -0.03 0.00 2.52 0.00 0.00 27.41 30.11 3gdg h HIS 146 CO -0.22 -0.03 0.18 0.74 0.71 0.00 0.00 177.93 179.32 3gdg h PHE 147 N 0.01 0.34 0.00 5.26 0.04 -0.66 -1.96 116.94 119.97 3gdg h PHE 147 Ca 0.04 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.82 3gdg h PHE 147 Cb 0.05 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.10 3gdg h PHE 147 CO -0.13 0.18 0.20 -0.22 -0.60 0.00 0.00 178.31 177.74 3gdg h LYS 148 N 0.38 0.00 0.00 1.51 3.64 -0.25 -0.94 116.57 120.91 3gdg h LYS 148 Ca 0.15 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 3gdg h LYS 148 Cb 0.05 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3gdg h LYS 148 CO -0.10 0.00 -0.48 0.93 -2.27 0.00 0.00 179.45 177.53 3gdg h GLU 149 N 0.00 0.00 0.00 1.90 5.08 -1.12 -3.34 114.58 117.10 3gdg h GLU 149 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gdg h GLU 149 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3gdg h GLU 149 CO 0.00 0.17 0.00 0.54 -1.00 0.00 0.00 179.01 178.72 3gdg n ARG 150 N -4.63 0.00 -1.03 2.33 1.74 -1.04 -4.77 116.66 109.28 3gdg n ARG 150 Ca -0.09 0.34 -0.01 0.00 -0.77 0.00 0.00 57.85 57.32 3gdg n ARG 150 Cb 0.27 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.21 3gdg n ARG 150 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gdg n GLY 151 N -1.31 0.26 3.35 -0.13 0.00 -0.39 -4.96 105.19 102.03 3gdg n GLY 151 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 3gdg n GLY 151 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gdg s THR 152 N -1.42 0.03 0.00 2.61 -4.23 -1.11 -4.67 115.64 106.85 3gdg s THR 152 Ca 0.00 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 3gdg s THR 152 Cb 0.00 -0.75 0.00 0.00 1.34 0.00 0.00 72.50 73.09 3gdg s THR 152 CO 0.00 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 3gdg n GLY 153 N 1.39 1.74 2.84 3.99 0.00 -1.15 -4.60 105.19 109.40 3gdg n GLY 153 Ca -0.20 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.85 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 0.79 -0.20 1.61 0.15 -0.36 -1.81 113.70 113.88 3gdg s SER 154 Ca 0.00 0.30 -0.05 0.00 0.70 0.00 0.00 55.95 56.90 3gdg s SER 154 Cb 0.00 0.29 -0.03 0.00 -1.71 0.00 0.00 66.02 64.58 3gdg s SER 154 CO 0.00 -0.25 0.01 -0.22 1.20 0.00 0.00 173.24 173.98 3gdg s LEU 155 N 2.30 3.33 -0.26 3.45 2.96 -0.72 -0.28 118.68 129.46 3gdg s LEU 155 Ca 0.03 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.74 3gdg s LEU 155 Cb -0.12 -1.84 0.02 0.00 0.50 0.00 0.00 46.19 44.74 3gdg s LEU 155 CO -0.06 0.08 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.34 3gdg s VAL 156 N 0.93 3.26 -0.29 1.68 1.01 0.45 -1.93 120.40 125.51 3gdg s VAL 156 Ca 0.02 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 60.96 3gdg s VAL 156 Cb -0.14 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 3gdg s VAL 156 CO 0.02 0.18 0.43 -0.63 0.00 0.00 0.00 175.10 175.10 3gdg s ILE 157 N 1.39 5.12 -0.72 2.22 1.01 0.65 0.06 121.20 130.93 3gdg s ILE 157 Ca 0.01 0.55 -0.25 0.00 0.00 0.00 0.00 60.65 60.97 3gdg s ILE 157 Cb -0.17 -3.79 0.05 0.00 0.01 0.00 0.00 42.46 38.57 3gdg s ILE 157 CO -0.02 0.05 1.14 -0.89 0.00 0.00 0.00 174.94 175.22 3gdg s THR 158 N 2.18 4.02 0.00 2.92 2.01 0.03 -1.14 115.64 125.67 3gdg s THR 158 Ca 0.17 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.14 3gdg s THR 158 Cb -0.16 -4.82 0.00 0.00 0.01 0.00 0.00 72.50 67.53 3gdg s THR 158 CO 0.11 -1.68 0.00 0.00 -0.69 0.00 0.00 174.62 172.36 3gdg n ALA 159 N 8.55 0.00 0.00 7.40 0.00 0.18 -4.68 120.51 131.97 3gdg n ALA 159 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3gdg n ALA 159 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 0.30 0.00 2.88 -1.23 -4.62 113.62 110.94 3gdg n SER 160 Ca 0.00 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.74 3gdg n SER 160 Cb 0.00 0.00 0.93 0.00 -0.75 0.00 0.00 64.21 64.39 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 -0.86 0.07 114.93 112.68 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 0.00 0.00 0.43 -0.00 0.00 0.00 176.91 177.34 3gdg n SER 162 N -3.06 0.06 -0.42 -0.10 7.64 -1.26 0.50 113.62 116.98 3gdg n SER 162 Ca -0.01 0.52 0.14 0.00 1.01 0.00 0.00 58.87 60.53 3gdg n SER 162 Cb 0.19 -0.53 0.50 0.00 -1.01 0.00 0.00 64.21 63.36 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 -0.61 -0.14 0.60 0.23 0.00 0.01 -4.23 105.19 101.06 3gdg n GLY 163 Ca 0.02 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.02 0.00 -4.66 1.61 8.25 0.18 -4.31 115.22 116.27 3gdg n HIS 164 Ca 0.18 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.34 3gdg n HIS 164 Cb 0.35 -0.43 -0.08 0.00 1.12 0.00 0.00 29.99 30.95 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 -2.27 1.09 -0.23 1.59 -0.00 -0.52 -5.13 121.20 115.73 3gdg s ILE 165 Ca -0.18 -2.00 -0.06 0.00 -0.00 0.00 0.00 60.65 58.42 3gdg s ILE 165 Cb 0.06 -2.33 -0.02 0.00 -0.00 0.00 0.00 42.46 40.17 3gdg s ILE 165 CO 0.22 0.00 0.03 0.00 -0.00 0.00 0.00 174.94 175.19 3gdg s ALA 166 N -2.97 3.03 0.61 2.27 0.00 -1.26 -4.36 121.76 119.08 3gdg s ALA 166 Ca 0.15 -1.13 -0.19 0.00 0.00 0.00 0.00 51.96 50.80 3gdg s ALA 166 Cb 0.03 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 3gdg s ALA 166 CO 0.08 -0.43 1.07 0.09 0.00 0.00 0.00 175.76 176.57 3gdg n ASN 167 N 4.81 1.21 -4.05 0.00 4.13 -1.26 -5.04 115.26 115.06 3gdg n ASN 167 Ca -0.17 0.82 -0.19 0.00 1.68 0.00 0.00 54.58 56.72 3gdg n ASN 167 Cb 0.51 -1.44 -0.15 0.00 -1.54 0.00 0.00 39.78 37.16 3gdg n ASN 167 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3gdg s PHE 168 N -1.47 0.92 -2.03 3.10 2.19 -1.26 -4.36 117.98 115.07 3gdg s PHE 168 Ca 0.77 -0.19 0.27 0.00 0.33 0.00 0.00 56.93 58.12 3gdg s PHE 168 Cb -0.41 -0.59 0.85 0.00 -1.31 0.00 0.00 43.02 41.56 3gdg s PHE 168 CO 0.45 -0.01 1.62 -0.35 1.83 0.00 0.00 175.22 178.76 3gdg n PRO 169 N 2.76 1.14 -2.14 10.12 -0.04 -1.26 -4.83 135.00 140.75 3gdg n PRO 169 Ca -0.14 -0.67 -0.40 0.00 -0.04 0.00 0.00 63.50 62.24 3gdg n PRO 169 Cb 0.56 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 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 -2.32 4.28 -0.26 0.54 1.11 -1.26 -5.00 119.66 116.75 3gdg s GLN 170 Ca 0.29 2.15 -0.10 0.00 0.01 0.00 0.00 55.36 57.71 3gdg s GLN 170 Cb 0.20 -2.99 -0.05 0.00 -1.01 0.00 0.00 33.01 29.16 3gdg s GLN 170 CO 0.45 -0.23 0.16 -1.21 0.01 0.00 0.00 175.29 174.48 3gdg s GLU 171 N -1.89 3.97 -0.38 2.91 0.41 -1.26 -4.66 118.70 117.79 3gdg s GLU 171 Ca 0.51 -0.32 0.11 0.00 -0.41 0.00 0.00 54.97 54.86 3gdg s GLU 171 Cb -0.38 -3.56 0.40 0.00 -1.78 0.00 0.00 34.13 28.81 3gdg s GLU 171 CO 0.50 -0.06 1.23 0.00 -0.49 0.00 0.00 175.26 176.44 3gdg n GLN 172 N 4.67 1.17 -0.24 1.61 10.64 -1.25 -2.74 117.38 131.24 3gdg n GLN 172 Ca -0.15 -2.22 -0.00 0.00 -1.83 0.00 0.00 57.00 52.80 3gdg n GLN 172 Cb 0.52 -0.44 0.12 0.00 -0.86 0.00 0.00 30.24 29.57 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 2.29 0.91 -0.30 -0.39 2.02 -1.93 -0.71 112.91 114.80 3gdg h THR 173 Ca -0.21 -0.22 0.07 0.00 0.77 0.00 0.00 66.41 66.81 3gdg h THR 173 Cb 1.25 0.21 -0.07 0.00 -1.74 0.00 0.00 68.15 67.81 3gdg h THR 173 CO 0.10 0.12 -0.16 0.77 0.37 0.00 0.00 175.52 176.72 3gdg h SER 174 N 0.64 -0.52 -0.31 4.18 4.64 -1.94 -0.12 113.55 120.11 3gdg h SER 174 Ca 0.32 0.12 0.02 0.00 -0.47 0.00 0.00 61.79 61.79 3gdg h SER 174 Cb 0.27 0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 3gdg h SER 174 CO -0.22 -0.19 0.14 0.22 -0.87 0.00 0.00 176.83 175.91 3gdg h TYR 175 N -0.12 0.26 0.31 4.77 3.20 -1.79 -1.76 116.97 121.84 3gdg h TYR 175 Ca 0.16 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3gdg h TYR 175 Cb 0.35 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 3gdg h TYR 175 CO -0.35 0.14 -0.40 -0.91 -1.64 0.00 0.00 178.16 174.99 3gdg h ASN 176 N 0.30 -1.14 -0.77 -2.11 2.35 -0.20 -1.97 115.58 112.04 3gdg h ASN 176 Ca 0.13 0.10 0.17 0.00 -0.55 0.00 0.00 56.30 56.15 3gdg h ASN 176 Cb 0.06 0.39 -0.11 0.00 0.05 0.00 0.00 38.32 38.71 3gdg h ASN 176 CO -0.10 -0.50 0.22 0.58 -1.65 0.00 0.00 177.43 175.98 3gdg h VAL 177 N -0.73 0.51 0.02 2.81 2.07 -1.04 -0.53 116.25 119.35 3gdg h VAL 177 Ca -0.04 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.41 3gdg h VAL 177 Cb 0.66 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3gdg h VAL 177 CO -0.10 0.06 -0.26 0.00 0.02 0.00 0.00 177.57 177.29 3gdg h ALA 178 N 1.63 -0.36 -0.81 1.67 0.00 -1.02 -0.49 119.26 119.87 3gdg h ALA 178 Ca 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 3gdg h ALA 178 Cb 0.77 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 3gdg h ALA 178 CO -0.51 -0.76 0.47 0.87 0.00 0.00 0.00 179.25 179.31 3gdg h LYS 179 N -0.41 1.11 -0.53 0.00 1.79 -0.53 -1.68 116.57 116.33 3gdg h LYS 179 Ca 0.06 -0.12 0.08 0.00 -2.18 0.00 0.00 60.65 58.49 3gdg h LYS 179 Cb 0.48 -0.23 -0.07 0.00 -1.58 0.00 0.00 32.23 30.84 3gdg h LYS 179 CO -0.22 0.80 0.17 0.00 -1.08 0.00 0.00 179.45 179.12 3gdg h ALA 180 N 1.25 0.65 -0.83 3.86 0.00 -0.61 0.29 119.26 123.86 3gdg h ALA 180 Ca 0.29 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.37 3gdg h ALA 180 Cb -0.01 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 3gdg h ALA 180 CO -0.05 -0.24 0.48 0.78 0.00 0.00 0.00 179.25 180.22 3gdg h GLY 181 N 0.33 1.28 1.34 0.00 0.00 -0.24 0.50 103.07 106.28 3gdg h GLY 181 Ca 0.26 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.19 3gdg h GLY 181 CO -0.29 0.15 -0.03 0.00 0.00 0.00 0.00 176.54 176.37 3gdg h ILE 183 N 0.74 0.26 0.00 0.00 1.08 0.17 -2.23 117.51 117.53 3gdg h ILE 183 Ca 0.14 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.51 3gdg h ILE 183 Cb 0.49 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 3gdg h ILE 183 CO 0.02 0.00 -0.49 -0.74 -0.69 0.00 0.00 178.15 176.26 3gdg h HIS 184 N -0.86 0.00 -0.42 1.37 2.76 -1.16 -2.95 115.15 113.88 3gdg h HIS 184 Ca -0.06 0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.18 3gdg h HIS 184 Cb 0.72 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.62 3gdg h HIS 184 CO -0.13 0.49 0.07 1.98 -1.30 0.00 0.00 177.93 179.04 3gdg h MET 185 N 0.00 0.19 0.00 5.26 1.85 0.14 0.51 114.93 122.88 3gdg h MET 185 Ca -0.00 -0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.05 3gdg h MET 185 Cb 0.91 -0.04 -0.00 0.00 0.43 0.00 0.00 31.60 32.90 3gdg h MET 185 CO 0.06 0.12 -0.13 0.00 -0.40 0.00 0.00 176.91 176.57 3gdg h ALA 186 N 1.33 1.33 0.08 0.39 0.00 -1.24 -0.44 119.26 120.70 3gdg h ALA 186 Ca 0.20 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 3gdg h ALA 186 Cb 0.26 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.05 3gdg h ALA 186 CO -0.28 0.16 -0.76 -0.09 0.00 0.00 0.00 179.25 178.28 3gdg h ARG 187 N 0.00 0.38 -0.02 0.00 2.43 -0.89 -2.48 114.38 113.80 3gdg h ARG 187 Ca -0.00 -0.51 -0.10 0.00 -0.81 0.00 0.00 59.98 58.56 3gdg h ARG 187 Cb 0.33 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3gdg h ARG 187 CO 0.02 1.19 -0.44 1.03 -1.51 0.00 0.00 179.97 180.26 3gdg h SER 188 N -0.19 0.06 1.23 -3.80 0.87 0.43 -2.90 113.55 109.25 3gdg h SER 188 Ca -0.12 -0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.27 3gdg h SER 188 Cb 1.52 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.45 3gdg h SER 188 CO 0.15 0.50 -0.79 -0.07 -0.53 0.00 0.00 176.83 176.08 3gdg h LEU 189 N 0.05 0.00 -1.09 2.23 3.38 -1.18 -1.91 115.31 116.79 3gdg h LEU 189 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3gdg h LEU 189 Cb 0.81 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 3gdg h LEU 189 CO 0.06 0.66 0.61 0.00 0.09 0.00 0.00 178.44 179.86 3gdg h ALA 190 N 1.34 1.34 0.06 1.53 0.00 -1.24 0.54 119.26 122.84 3gdg h ALA 190 Ca -0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3gdg h ALA 190 Cb 1.54 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3gdg h ALA 190 CO 0.08 0.61 -0.03 -0.97 0.00 0.00 0.00 179.25 178.94 3gdg h ASN 191 N 1.25 -0.07 -0.66 0.00 -1.24 -1.47 -2.97 115.58 110.41 3gdg h ASN 191 Ca 0.34 -0.47 0.05 0.00 0.71 0.00 0.00 56.30 56.93 3gdg h ASN 191 Cb -0.14 0.02 -0.05 0.00 0.73 0.00 0.00 38.32 38.88 3gdg h ASN 191 CO -0.07 0.45 0.38 -0.08 -1.29 0.00 0.00 177.43 176.82 3gdg h GLU 192 N -0.63 0.69 -0.80 6.67 4.81 -0.99 -2.51 114.58 121.83 3gdg h GLU 192 Ca -0.01 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.06 3gdg h GLU 192 Cb 0.53 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 29.69 3gdg h GLU 192 CO 0.01 0.46 0.15 0.91 -0.73 0.00 0.00 179.01 179.81 3gdg n TRP 193 N -4.76 1.71 0.19 0.92 8.01 0.15 -4.59 117.44 119.07 3gdg n TRP 193 Ca 0.08 -0.82 0.18 0.00 -1.31 0.00 0.00 57.50 55.63 3gdg n TRP 193 Cb 0.14 -0.51 0.81 0.00 -2.01 0.00 0.00 31.31 29.75 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 2.16 0.00 0.00 -0.99 0.11 -1.27 0.46 114.38 114.84 3gdg h ARG 194 Ca 0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.23 3gdg h ARG 194 Cb 1.81 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.89 3gdg h ARG 194 CO 0.49 0.00 -0.46 -0.44 0.10 0.00 0.00 179.97 179.66 3gdg h ASP 195 N 0.00 0.00 0.00 0.08 3.45 -1.86 -3.33 116.42 114.76 3gdg h ASP 195 Ca 0.11 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.55 3gdg h ASP 195 Cb 0.71 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.48 3gdg h ASP 195 CO -0.00 0.01 -0.03 2.22 -1.57 0.00 0.00 179.24 179.87 3gdg n PHE 196 N -2.80 0.00 -3.75 4.55 -1.74 -0.39 -4.25 117.46 109.09 3gdg n PHE 196 Ca 0.02 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.78 3gdg n PHE 196 Cb 0.53 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.44 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 -0.08 -0.83 0.03 1.98 0.00 0.02 -2.92 121.76 119.95 3gdg s ALA 197 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.31 3gdg s ALA 197 Cb 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 3gdg s ALA 197 CO 0.00 -0.28 0.11 1.03 0.00 0.00 0.00 175.76 176.62 3gdg s ARG 198 N -1.45 3.12 -0.03 0.00 0.52 -0.75 -4.32 118.95 116.03 3gdg s ARG 198 Ca -0.13 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 54.58 3gdg s ARG 198 Cb -0.04 -2.88 0.02 0.00 0.52 0.00 0.00 34.95 32.57 3gdg s ARG 198 CO 0.04 0.62 -0.02 0.08 0.02 0.00 0.00 175.30 176.04 3gdg s VAL 199 N -1.31 0.29 0.05 3.52 1.01 -1.26 -1.76 120.40 120.94 3gdg s VAL 199 Ca 0.27 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 3gdg s VAL 199 Cb -0.12 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 3gdg s VAL 199 CO 0.19 0.16 0.05 0.20 0.00 0.00 0.00 175.10 175.69 3gdg s ASN 200 N 0.84 0.30 0.01 3.32 0.01 -0.81 -0.33 114.94 118.28 3gdg s ASN 200 Ca -0.09 -0.74 0.07 0.00 -0.71 0.00 0.00 52.86 51.39 3gdg s ASN 200 Cb -0.12 0.22 -0.02 0.00 0.41 0.00 0.00 41.25 41.74 3gdg s ASN 200 CO -0.01 -0.56 -0.21 -0.94 -1.51 0.00 0.00 177.10 173.87 3gdg s SER 201 N -2.50 2.49 -0.14 -1.22 1.04 0.13 -0.25 113.70 113.24 3gdg s SER 201 Ca 0.00 -0.45 -0.01 0.00 0.48 0.00 0.00 55.95 55.97 3gdg s SER 201 Cb 0.03 -0.24 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 3gdg s SER 201 CO -0.07 0.21 -0.10 -0.63 0.98 0.00 0.00 173.24 173.63 3gdg s ILE 202 N -0.65 3.35 -0.77 -1.02 1.01 -0.29 -1.07 121.20 121.76 3gdg s ILE 202 Ca 0.08 -0.55 -0.04 0.00 0.00 0.00 0.00 60.65 60.13 3gdg s ILE 202 Cb -0.08 -2.43 0.20 0.00 0.01 0.00 0.00 42.46 40.15 3gdg s ILE 202 CO 0.01 0.51 0.64 -0.44 0.00 0.00 0.00 174.94 175.65 3gdg s SER 203 N 0.40 5.80 0.80 3.58 0.01 0.27 0.50 113.70 125.07 3gdg s SER 203 Ca -0.08 -3.19 -0.10 0.00 1.31 0.00 0.00 55.95 53.89 3gdg s SER 203 Cb -0.15 -1.94 0.07 0.00 0.21 0.00 0.00 66.02 64.21 3gdg s SER 203 CO 0.04 -0.32 1.10 -2.84 0.41 0.00 0.00 173.24 171.63 3gdg s PRO 204 N -0.56 2.01 0.00 12.44 0.02 -1.26 -1.49 135.00 146.16 3gdg s PRO 204 Ca 0.21 1.21 0.00 0.00 0.02 0.00 0.00 61.00 62.44 3gdg s PRO 204 Cb -0.14 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.52 3gdg s PRO 204 CO -0.08 -1.83 0.00 0.41 -0.33 0.00 0.00 177.00 175.18 3gdg n GLY 205 N -0.99 2.60 3.55 0.52 0.00 -0.43 -0.42 105.19 110.02 3gdg n GLY 205 Ca 0.09 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 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 4.36 2.22 -0.31 1.61 2.02 -1.26 -4.90 117.35 121.09 3gdg s TYR 206 Ca 0.00 -0.02 -0.10 0.00 -0.37 0.00 0.00 57.07 56.58 3gdg s TYR 206 Cb 0.00 -4.55 -0.01 0.00 -0.40 0.00 0.00 41.96 37.00 3gdg s TYR 206 CO 0.00 -2.08 0.16 0.42 -1.57 0.00 0.00 175.55 172.48 3gdg s ILE 207 N 6.21 4.74 -0.27 2.71 -1.09 -1.26 0.79 121.20 133.03 3gdg s ILE 207 Ca 0.42 -0.31 -0.29 0.00 -2.23 0.00 0.00 60.65 58.23 3gdg s ILE 207 Cb -0.08 -3.39 -0.01 0.00 -1.58 0.00 0.00 42.46 37.40 3gdg s ILE 207 CO 0.12 0.10 1.49 -0.62 -1.23 0.00 0.00 174.94 174.79 3gdg s ASP 208 N 1.64 6.48 -0.19 3.58 -1.08 0.15 -4.83 116.67 122.42 3gdg s ASP 208 Ca 0.05 1.40 0.16 0.00 -0.52 0.00 0.00 52.55 53.65 3gdg s ASP 208 Cb -0.17 -2.54 0.54 0.00 -1.46 0.00 0.00 42.92 39.29 3gdg s ASP 208 CO 0.07 -1.21 1.44 0.35 0.52 0.00 0.00 175.17 176.33 3gdg n THR 209 N 6.40 2.32 -1.68 1.71 -2.24 -1.26 -4.39 114.28 115.13 3gdg n THR 209 Ca 0.17 -1.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.05 3gdg n THR 209 Cb 0.46 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 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 -0.51 0.97 1.00 3.38 0.00 -1.26 -4.68 105.19 104.09 3gdg n GLY 210 Ca 0.22 -0.46 -0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.33 0.14 0.17 0.99 4.77 -1.26 -4.87 117.00 116.60 3gdg n LEU 211 Ca 0.00 -1.62 0.13 0.00 -0.03 0.00 0.00 56.01 54.50 3gdg n LEU 211 Cb 0.34 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.96 3gdg n LEU 211 CO 0.00 0.75 0.89 0.77 -1.33 0.00 0.00 177.39 178.47 3gdg h SER 212 N 0.38 0.00 -0.55 -1.43 4.64 -1.94 -2.76 113.55 111.89 3gdg h SER 212 Ca -0.22 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.04 3gdg h SER 212 Cb 1.53 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.60 3gdg h SER 212 CO -0.03 0.00 0.12 0.44 -0.87 0.00 0.00 176.83 176.49 3gdg h ASP 213 N 0.00 0.88 0.00 4.97 3.32 -2.02 -1.93 116.42 121.64 3gdg h ASP 213 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3gdg h ASP 213 Cb 0.43 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3gdg h ASP 213 CO 0.00 0.87 0.00 0.49 -1.72 0.00 0.00 179.24 178.88 3gdg n PHE 214 N -4.25 0.00 -4.60 4.55 3.01 -1.04 -4.67 117.46 110.47 3gdg n PHE 214 Ca 0.04 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.27 3gdg n PHE 214 Cb 0.25 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.57 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 -2.00 1.07 -0.02 -4.37 1.01 -0.73 -5.11 120.40 110.26 3gdg s VAL 215 Ca 0.09 -0.53 -0.31 0.00 0.00 0.00 0.00 61.98 61.23 3gdg s VAL 215 Cb 0.04 -0.93 -0.10 0.00 0.00 0.00 0.00 36.38 35.40 3gdg s VAL 215 CO 0.07 0.32 1.97 -2.65 0.00 0.00 0.00 175.10 174.81 3gdg n PRO 216 N 3.13 2.61 0.26 2.72 -0.02 -1.26 -4.86 135.00 137.58 3gdg n PRO 216 Ca -0.17 0.95 0.13 0.00 -2.02 0.00 0.00 63.50 62.39 3gdg n PRO 216 Cb 0.54 -2.92 0.59 0.00 -0.02 0.00 0.00 33.50 31.69 3gdg n PRO 216 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3gdg h LYS 217 N 10.51 0.00 -0.14 -0.52 1.63 -1.94 0.96 116.57 127.07 3gdg h LYS 217 Ca -0.49 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.16 3gdg h LYS 217 Cb 1.25 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.89 3gdg h LYS 217 CO 0.94 0.00 -0.52 0.93 -3.45 0.00 0.00 179.45 177.36 3gdg h GLU 218 N 0.00 0.60 -0.56 1.90 5.08 -2.01 -2.88 114.58 116.71 3gdg h GLU 218 Ca 0.06 -0.46 -0.07 0.00 -1.00 0.00 0.00 59.36 57.90 3gdg h GLU 218 Cb 1.19 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 3gdg h GLU 218 CO -0.00 1.08 0.08 1.15 -1.00 0.00 0.00 179.01 180.32 3gdg h THR 219 N 0.25 1.24 -0.07 1.13 2.02 0.58 -2.92 112.91 115.15 3gdg h THR 219 Ca -0.02 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 3gdg h THR 219 Cb 1.15 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 3gdg h THR 219 CO 0.11 0.35 0.02 1.56 0.37 0.00 0.00 175.52 177.93 3gdg h GLN 220 N 0.85 0.11 -0.98 6.66 4.20 -1.42 -1.60 115.11 122.93 3gdg h GLN 220 Ca 0.17 -0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.95 3gdg h GLN 220 Cb 0.39 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.08 3gdg h GLN 220 CO 0.01 0.28 0.63 1.96 -0.67 0.00 0.00 178.83 181.04 3gdg h GLN 221 N -0.08 1.01 -0.23 1.46 4.20 -1.38 0.77 115.11 120.86 3gdg h GLN 221 Ca 0.02 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3gdg h GLN 221 Cb 0.22 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3gdg h GLN 221 CO -0.00 0.67 0.08 1.25 -0.67 0.00 0.00 178.83 180.16 3gdg h LEU 222 N 1.04 0.32 -0.41 1.46 5.85 -1.37 0.62 115.31 122.81 3gdg h LEU 222 Ca 0.46 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 59.00 3gdg h LEU 222 Cb 0.35 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3gdg h LEU 222 CO -0.21 0.41 0.27 -0.50 -0.34 0.00 0.00 178.44 178.07 3gdg h TRP 223 N 0.21 0.51 -0.55 1.25 6.55 -0.04 -2.66 115.95 121.22 3gdg h TRP 223 Ca 0.07 0.01 0.01 0.00 0.95 0.00 0.00 58.89 59.93 3gdg h TRP 223 Cb 0.20 -0.17 -0.03 0.00 -0.86 0.00 0.00 29.16 28.30 3gdg h TRP 223 CO -0.01 0.32 0.36 0.45 -1.05 0.00 0.00 178.44 178.52 3gdg h HIS 224 N 0.55 0.68 0.00 0.49 3.86 0.87 -1.94 115.15 119.67 3gdg h HIS 224 Ca 0.15 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 3gdg h HIS 224 Cb -0.05 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.18 3gdg h HIS 224 CO -0.05 0.43 0.00 -1.13 0.86 0.00 0.00 177.93 178.04 3gdg n SER 225 N -4.45 0.00 -0.47 2.45 3.41 0.17 -2.49 113.62 112.24 3gdg n SER 225 Ca 0.05 0.15 0.07 0.00 -0.26 0.00 0.00 58.87 58.88 3gdg n SER 225 Cb 0.05 -0.37 0.03 0.00 -0.26 0.00 0.00 64.21 63.67 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 -1.37 1.36 -3.68 4.33 2.00 -0.76 -4.86 117.12 114.14 3gdg n MET 226 Ca 0.10 -1.10 -0.39 0.00 0.00 0.00 0.00 57.70 56.31 3gdg n MET 226 Cb 0.24 -1.25 -0.12 0.00 0.00 0.00 0.00 33.22 32.09 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 -1.41 4.39 0.25 2.02 1.01 -1.01 -4.54 121.20 121.90 3gdg s ILE 227 Ca 0.15 -0.61 -0.06 0.00 0.00 0.00 0.00 60.65 60.13 3gdg s ILE 227 Cb 0.12 -3.30 0.28 0.00 0.01 0.00 0.00 42.46 39.57 3gdg s ILE 227 CO 0.25 0.00 1.64 -0.65 0.00 0.00 0.00 174.94 176.18 3gdg h PRO 228 N 8.33 0.12 0.00 2.79 0.11 -1.79 0.98 132.00 142.53 3gdg h PRO 228 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3gdg h PRO 228 Cb 1.13 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3gdg h PRO 228 CO 0.62 0.08 0.00 -1.33 -0.21 0.00 0.00 178.00 177.16 3gdg n MET 229 N -5.32 0.33 -1.74 1.05 2.81 -1.10 -4.87 117.12 108.29 3gdg n MET 229 Ca 0.15 0.08 -0.20 0.00 -1.81 0.00 0.00 57.70 55.91 3gdg n MET 229 Cb 0.50 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.44 3gdg n MET 229 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gdg n GLY 230 N -0.08 1.44 3.74 3.03 0.00 0.34 -4.96 105.19 108.70 3gdg n GLY 230 Ca 0.09 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.95 1.88 0.41 1.61 1.70 -1.26 -4.90 118.95 114.44 3gdg s ARG 231 Ca 0.00 -1.27 -0.06 0.00 -0.47 0.00 0.00 55.73 53.94 3gdg s ARG 231 Cb 0.00 0.56 -0.05 0.00 -0.57 0.00 0.00 34.95 34.90 3gdg s ARG 231 CO 0.00 -0.84 0.71 -0.51 -1.08 0.00 0.00 175.30 173.58 3gdg s ASP 232 N -3.02 6.36 0.80 -2.89 1.01 -1.26 -4.95 116.67 112.72 3gdg s ASP 232 Ca 0.17 0.89 -0.10 0.00 0.71 0.00 0.00 52.55 54.22 3gdg s ASP 232 Cb -0.04 -2.22 0.10 0.00 1.01 0.00 0.00 42.92 41.77 3gdg s ASP 232 CO 0.10 -0.43 1.14 -0.83 0.21 0.00 0.00 175.17 175.36 3gdg s GLY 233 N -3.69 1.68 -0.07 0.21 0.00 0.24 -4.76 107.32 100.93 3gdg s GLY 233 Ca 0.47 -0.95 0.03 0.00 0.00 0.00 0.00 44.72 44.27 3gdg s GLY 233 CO 0.38 -0.42 -0.16 1.08 0.00 0.00 0.00 173.10 173.98 3gdg s LEU 234 N -5.50 1.80 0.56 0.66 1.43 -1.26 -0.67 118.68 115.70 3gdg s LEU 234 Ca 0.64 -0.36 0.40 0.00 -1.03 0.00 0.00 54.13 53.79 3gdg s LEU 234 Cb -0.09 -0.96 1.53 0.00 0.03 0.00 0.00 46.19 46.69 3gdg s LEU 234 CO 0.48 0.09 1.63 0.00 0.23 0.00 0.00 176.35 178.78 3gdg h ALA 235 N 6.73 3.35 0.00 4.21 0.00 -1.87 0.88 119.26 132.56 3gdg h ALA 235 Ca -0.29 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3gdg h ALA 235 Cb 1.19 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3gdg h ALA 235 CO 0.47 -1.88 -0.14 1.57 0.00 0.00 0.00 179.25 179.27 3gdg h LYS 236 N 0.00 0.00 0.00 0.00 2.10 -1.95 -0.78 116.57 115.94 3gdg h LYS 236 Ca 0.69 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.34 3gdg h LYS 236 Cb 2.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 34.27 3gdg h LYS 236 CO -0.01 0.14 0.00 0.39 -2.00 0.00 0.00 179.45 177.98 3gdg n GLU 237 N -3.41 0.90 -0.02 0.07 1.02 0.30 -3.05 120.64 116.45 3gdg n GLU 237 Ca -0.01 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.17 3gdg n GLU 237 Cb 0.33 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.01 0.00 -0.31 -4.62 4.77 -0.31 -4.63 117.00 110.89 3gdg n LEU 238 Ca 0.22 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.26 3gdg n LEU 238 Cb 0.10 0.08 0.22 0.00 -2.33 0.00 0.00 43.42 41.49 3gdg n LEU 238 CO 0.17 0.08 1.15 0.07 -1.33 0.00 0.00 177.39 177.52 3gdg h LYS 239 N 0.00 0.75 -0.86 3.23 2.10 -1.46 -2.05 116.57 118.29 3gdg h LYS 239 Ca -0.09 -0.05 0.07 0.00 -2.00 0.00 0.00 60.65 58.59 3gdg h LYS 239 Cb 0.93 -0.17 -0.07 0.00 -0.90 0.00 0.00 32.23 32.02 3gdg h LYS 239 CO 0.00 0.50 0.53 0.78 -2.00 0.00 0.00 179.45 179.26 3gdg h GLY 240 N 0.77 1.31 0.75 0.07 0.00 -1.82 -0.19 103.07 103.96 3gdg h GLY 240 Ca 0.46 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 3gdg h GLY 240 CO -0.30 0.23 0.00 0.00 0.00 0.00 0.00 176.54 176.47 3gdg h ALA 241 N 1.42 0.13 -0.18 3.60 0.00 -1.67 0.62 119.26 123.17 3gdg h ALA 241 Ca 0.39 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3gdg h ALA 241 Cb 0.23 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3gdg h ALA 241 CO -0.19 -0.19 -0.09 1.88 0.00 0.00 0.00 179.25 180.66 3gdg h TYR 242 N -0.11 -0.20 -0.54 0.00 0.99 -1.13 -0.13 116.97 115.85 3gdg h TYR 242 Ca 0.03 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.74 3gdg h TYR 242 Cb 0.35 0.12 -0.03 0.00 1.00 0.00 0.00 36.73 38.17 3gdg h TYR 242 CO 0.03 -0.14 0.19 0.28 -0.00 0.00 0.00 178.16 178.53 3gdg h VAL 243 N -0.07 1.21 -0.02 -2.88 2.07 -0.95 -1.26 116.25 114.35 3gdg h VAL 243 Ca 0.10 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.95 3gdg h VAL 243 Cb 0.21 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3gdg h VAL 243 CO -0.22 0.26 -0.05 0.22 0.02 0.00 0.00 177.57 177.80 3gdg h TYR 244 N 0.78 -0.12 -0.10 1.57 3.20 0.19 -3.01 116.97 119.48 3gdg h TYR 244 Ca 0.18 0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.88 3gdg h TYR 244 Cb 0.20 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3gdg h TYR 244 CO 0.01 -0.08 -0.68 0.74 -1.64 0.00 0.00 178.16 176.51 3gdg h PHE 245 N -0.08 0.55 0.00 -3.82 0.04 -0.84 -3.29 116.94 109.51 3gdg h PHE 245 Ca 0.03 -0.23 0.00 0.00 2.80 0.00 0.00 57.97 60.57 3gdg h PHE 245 Cb 0.12 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.18 3gdg h PHE 245 CO -0.13 0.97 0.00 0.00 -0.60 0.00 0.00 178.31 178.55 3gdg n ALA 246 N -2.51 2.40 -3.91 2.45 0.00 -0.50 -4.86 120.51 113.57 3gdg n ALA 246 Ca -0.04 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 3gdg n ALA 246 Cb 0.68 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 3gdg n ALA 246 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gdg n SER 247 N -1.27 2.11 -0.71 0.00 3.41 -1.14 -4.75 113.62 111.27 3gdg n SER 247 Ca 0.14 -1.93 0.02 0.00 -0.26 0.00 0.00 58.87 56.83 3gdg n SER 247 Cb 0.22 0.05 0.09 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.65 1.81 -0.64 4.04 9.92 -0.45 -3.53 116.55 126.05 3gdg n ASP 248 Ca -0.04 -2.16 0.13 0.00 -0.53 0.00 0.00 54.79 52.19 3gdg n ASP 248 Cb 0.29 -0.45 0.39 0.00 -0.64 0.00 0.00 41.12 40.70 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 0.11 2.54 -2.68 2.24 0.00 -1.21 -4.34 120.51 117.16 3gdg n ALA 249 Ca 0.06 -0.53 -0.08 0.00 0.00 0.00 0.00 53.44 52.89 3gdg n ALA 249 Cb 0.40 -1.05 0.06 0.00 0.00 0.00 0.00 19.45 18.85 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 0.56 0.45 0.00 0.00 3.41 -1.23 -4.94 113.62 111.86 3gdg n SER 250 Ca 0.17 -2.59 0.12 0.00 -0.26 0.00 0.00 58.87 56.31 3gdg n SER 250 Cb 0.43 -0.07 0.67 0.00 -0.26 0.00 0.00 64.21 64.98 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 -0.28 0.10 -0.34 6.66 -2.24 -1.26 -2.22 114.28 114.70 3gdg n THR 251 Ca 0.05 0.02 0.02 0.00 -2.27 0.00 0.00 64.05 61.87 3gdg n THR 251 Cb 0.83 -0.65 0.03 0.00 -2.10 0.00 0.00 70.33 68.44 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 -1.10 0.00 -3.70 4.78 9.36 -1.26 -4.74 117.16 120.50 3gdg n TYR 252 Ca 0.16 -0.54 -0.38 0.00 3.32 0.00 0.00 57.90 60.46 3gdg n TYR 252 Cb 0.12 -0.06 -0.11 0.00 -0.63 0.00 0.00 39.34 38.65 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 -1.23 3.88 -0.01 2.97 -4.23 -0.94 -5.05 115.64 111.02 3gdg s THR 253 Ca 0.06 -1.32 -0.00 0.00 -1.18 0.00 0.00 61.69 59.25 3gdg s THR 253 Cb 0.05 -3.30 0.01 0.00 1.34 0.00 0.00 72.50 70.60 3gdg s THR 253 CO 0.01 -0.34 0.02 0.28 -0.54 0.00 0.00 174.62 174.04 3gdg s THR 254 N 1.38 -0.02 0.00 3.99 -1.32 -1.26 -4.70 115.64 113.71 3gdg s THR 254 Ca 0.01 0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 3gdg s THR 254 Cb -0.21 -0.05 0.00 0.00 -1.51 0.00 0.00 72.50 70.73 3gdg s THR 254 CO 0.02 0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 3gdg n GLY 255 N 3.48 0.58 3.91 6.08 0.00 0.55 -4.95 105.19 114.84 3gdg n GLY 255 Ca -0.18 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.00 3.82 -0.03 4.61 0.00 -1.26 -4.71 121.76 122.19 3gdg s ALA 256 Ca 0.00 -1.23 0.03 0.00 0.00 0.00 0.00 51.96 50.76 3gdg s ALA 256 Cb 0.00 -1.60 -0.00 0.00 0.00 0.00 0.00 23.12 21.52 3gdg s ALA 256 CO 0.00 0.33 -0.13 0.34 0.00 0.00 0.00 175.76 176.30 3gdg s ASP 257 N -3.72 1.62 -0.20 0.00 3.68 -1.26 -0.69 116.67 116.10 3gdg s ASP 257 Ca 0.34 -0.26 0.01 0.00 2.13 0.00 0.00 52.55 54.77 3gdg s ASP 257 Cb -0.09 -0.42 0.04 0.00 -1.45 0.00 0.00 42.92 41.00 3gdg s ASP 257 CO 0.27 0.11 -0.12 -0.22 0.13 0.00 0.00 175.17 175.35 3gdg s LEU 258 N 0.09 2.34 0.00 -1.34 2.96 -0.23 -4.98 118.68 117.52 3gdg s LEU 258 Ca -0.03 -0.88 -0.27 0.00 -0.22 0.00 0.00 54.13 52.72 3gdg s LEU 258 Cb -0.09 -1.29 -0.04 0.00 0.50 0.00 0.00 46.19 45.27 3gdg s LEU 258 CO 0.01 -0.13 0.87 -0.76 -1.32 0.00 0.00 176.35 175.02 3gdg s LEU 259 N 1.36 4.39 -0.58 -0.68 1.43 -1.26 -0.56 118.68 122.77 3gdg s LEU 259 Ca -0.01 1.52 0.05 0.00 -1.03 0.00 0.00 54.13 54.66 3gdg s LEU 259 Cb -0.16 -3.39 0.18 0.00 0.03 0.00 0.00 46.19 42.85 3gdg s LEU 259 CO -0.09 -0.15 0.47 -0.38 0.23 0.00 0.00 176.35 176.43 3gdg n ILE 260 N 3.55 0.58 -1.37 -0.59 2.08 -0.55 -4.93 119.36 118.12 3gdg n ILE 260 Ca 0.02 -4.36 0.07 0.00 0.56 0.00 0.00 62.75 59.05 3gdg n ILE 260 Cb 0.51 -1.98 0.10 0.00 -0.75 0.00 0.00 39.64 37.52 3gdg n ILE 260 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3gdg n ASP 261 N 2.12 1.66 0.00 4.38 5.68 -1.26 -1.32 116.55 127.81 3gdg n ASP 261 Ca 0.24 -2.81 0.00 0.00 -0.50 0.00 0.00 54.79 51.72 3gdg n ASP 261 Cb 0.41 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 3gdg n ASP 261 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gdg n GLY 262 N -1.00 0.06 0.00 6.12 0.00 -1.26 -1.56 105.19 107.55 3gdg n GLY 262 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.01 1.00 0.26 -0.02 0.00 -1.26 -2.69 105.19 102.48 3gdg n GLY 263 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 0.27 0.00 1.61 5.03 -1.52 -0.81 116.97 121.55 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 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.27 3gdg h TYR 264 CO 0.00 -0.06 0.00 1.79 -1.32 0.00 0.00 178.16 178.57 3gdg h THR 265 N 0.28 0.00 -0.76 1.81 1.35 -1.90 -3.22 112.91 110.47 3gdg h THR 265 Ca 0.38 -0.42 0.12 0.00 -0.55 0.00 0.00 66.41 65.94 3gdg h THR 265 Cb 0.63 1.30 -0.05 0.00 -1.73 0.00 0.00 68.15 68.30 3gdg h THR 265 CO -0.47 0.00 0.50 0.74 -0.25 0.00 0.00 175.52 176.04 3gdg h THR 266 N 0.00 0.87 -0.03 6.82 2.02 -1.54 -3.52 112.91 117.53 3gdg h THR 266 Ca 0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3gdg h THR 266 Cb 0.55 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3gdg h THR 266 CO 0.00 0.10 0.00 0.54 0.37 0.00 0.00 175.52 176.53