#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 2.91 0.00 0.03 -0.04 -1.26 -5.12 135.00 131.52 3gdg n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3gdg n PRO 2 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3gdg n PRO 2 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gdg n GLY 3 N 2.59 4.13 3.36 0.55 0.00 -1.26 -5.04 105.19 109.52 3gdg n GLY 3 Ca 0.00 -0.90 -0.46 0.00 0.00 0.00 0.00 46.02 44.66 3gdg n GLY 3 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gdg s GLN 4 N 4.58 3.43 0.44 1.61 0.74 -1.26 -4.94 119.66 124.25 3gdg s GLN 4 Ca 0.00 -2.06 0.08 0.00 0.05 0.00 0.00 55.36 53.43 3gdg s GLN 4 Cb 0.00 -4.47 0.01 0.00 1.10 0.00 0.00 33.01 29.65 3gdg s GLN 4 CO 0.00 -1.42 0.53 -0.65 -0.55 0.00 0.00 175.29 173.20 3gdg s GLN 5 N 1.20 2.67 0.76 1.67 -0.21 -1.26 -5.10 119.66 119.39 3gdg s GLN 5 Ca 0.17 -1.40 -0.12 0.00 0.02 0.00 0.00 55.36 54.04 3gdg s GLN 5 Cb -0.14 -2.61 0.05 0.00 1.00 0.00 0.00 33.01 31.31 3gdg s GLN 5 CO -0.05 -0.32 1.12 0.00 -2.12 0.00 0.00 175.29 173.92 3gdg s ALA 6 N -2.43 2.17 0.68 6.09 0.00 -1.26 -4.92 121.76 122.09 3gdg s ALA 6 Ca 0.53 0.45 -0.17 0.00 0.00 0.00 0.00 51.96 52.77 3gdg s ALA 6 Cb -0.07 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 3gdg s ALA 6 CO 0.32 -1.81 1.09 -2.37 0.00 0.00 0.00 175.76 172.98 3gdg n THR 7 N -3.27 3.62 1.43 0.00 5.66 -1.26 -4.87 114.28 115.58 3gdg n THR 7 Ca 0.10 -0.42 0.14 0.00 -3.05 0.00 0.00 64.05 60.82 3gdg n THR 7 Cb 0.52 -1.24 0.51 0.00 -1.55 0.00 0.00 70.33 68.57 3gdg n THR 7 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 3gdg n LYS 8 N -1.85 1.22 -3.43 1.09 2.85 -1.26 -4.88 118.16 111.90 3gdg n LYS 8 Ca 0.14 -0.65 -0.37 0.00 -1.05 0.00 0.00 58.31 56.38 3gdg n LYS 8 Cb 0.49 -1.49 -0.07 0.00 -0.65 0.00 0.00 35.03 33.31 3gdg n LYS 8 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 3gdg s HIS 9 N -2.23 3.45 -0.06 5.58 3.76 -1.26 -4.98 115.29 119.56 3gdg s HIS 9 Ca 0.33 0.69 0.11 0.00 -0.15 0.00 0.00 55.06 56.04 3gdg s HIS 9 Cb 0.20 -2.46 -0.23 0.00 1.11 0.00 0.00 32.58 31.20 3gdg s HIS 9 CO 0.42 0.15 0.61 0.39 -0.85 0.00 0.00 174.74 175.46 3gdg n GLU 10 N 3.84 0.64 -2.85 1.40 -0.58 -1.26 -4.84 120.64 117.00 3gdg n GLU 10 Ca -0.09 0.28 -0.39 0.00 -0.42 0.00 0.00 57.16 56.54 3gdg n GLU 10 Cb 0.52 -1.78 -0.06 0.00 -0.57 0.00 0.00 31.44 29.55 3gdg n GLU 10 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3gdg s SER 11 N -6.13 7.44 0.15 1.62 0.15 -1.26 -4.97 113.70 110.70 3gdg s SER 11 Ca -0.06 1.79 -0.08 0.00 0.70 0.00 0.00 55.95 58.30 3gdg s SER 11 Cb 0.08 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.82 3gdg s SER 11 CO 0.82 0.09 1.43 0.25 1.20 0.00 0.00 173.24 177.03 3gdg h LEU 12 N 3.82 0.81 -1.89 3.45 6.46 -2.00 -2.70 115.31 123.27 3gdg h LEU 12 Ca -0.46 -0.45 -0.03 0.00 -0.12 0.00 0.00 57.88 56.82 3gdg h LEU 12 Cb 1.20 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.89 3gdg h LEU 12 CO 0.66 1.22 -0.13 -0.07 -0.62 0.00 0.00 178.44 179.50 3gdg h LEU 13 N 0.54 0.00 -0.21 2.25 3.38 -1.99 -0.35 115.31 118.92 3gdg h LEU 13 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 3gdg h LEU 13 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3gdg h LEU 13 CO 0.12 0.13 -0.93 0.44 0.09 0.00 0.00 178.44 178.29 3gdg h ASP 14 N 0.00 0.24 -0.03 -0.43 3.45 -1.90 -1.93 116.42 115.83 3gdg h ASP 14 Ca -0.00 -0.21 -0.24 0.00 0.43 0.00 0.00 57.03 57.01 3gdg h ASP 14 Cb 0.29 -0.08 0.02 0.00 -0.56 0.00 0.00 39.33 39.00 3gdg h ASP 14 CO 0.02 1.04 -0.90 1.56 -1.57 0.00 0.00 179.24 179.38 3gdg h GLN 15 N 0.09 0.66 -0.47 3.56 4.20 -0.99 -3.26 115.11 118.91 3gdg h GLN 15 Ca -0.05 -0.67 -0.11 0.00 0.06 0.00 0.00 58.65 57.88 3gdg h GLN 15 Cb 1.58 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 29.53 3gdg h GLN 15 CO 0.14 1.27 -0.14 -0.07 -0.67 0.00 0.00 178.83 179.36 3gdg h LEU 16 N 0.31 0.94 -9.28 1.46 3.38 -1.15 0.59 115.31 111.56 3gdg h LEU 16 Ca -0.11 -0.37 -0.66 0.00 0.09 0.00 0.00 57.88 56.83 3gdg h LEU 16 Cb 1.56 -0.26 0.08 0.00 0.09 0.00 0.00 40.66 42.14 3gdg h LEU 16 CO 0.18 1.09 0.19 -0.24 0.09 0.00 0.00 178.44 179.75 3gdg n SER 17 N -4.21 1.03 -0.59 -0.43 2.88 -0.73 -4.67 113.62 106.90 3gdg n SER 17 Ca -0.00 1.14 0.09 0.00 -1.33 0.00 0.00 58.87 58.77 3gdg n SER 17 Cb 0.41 -1.17 0.21 0.00 -0.75 0.00 0.00 64.21 62.91 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 1.94 3.32 -4.64 2.46 4.77 -0.74 -4.68 117.00 119.43 3gdg n LEU 18 Ca 0.15 -3.01 -0.40 0.00 -0.03 0.00 0.00 56.01 52.72 3gdg n LEU 18 Cb 0.23 -0.49 0.03 0.00 -2.33 0.00 0.00 43.42 40.86 3gdg n LEU 18 CO 0.61 0.69 0.66 1.17 -1.33 0.00 0.00 177.39 179.18 3gdg n LYS 19 N -0.81 1.34 -0.81 3.23 4.81 -1.16 -0.94 118.16 123.82 3gdg n LYS 19 Ca 0.19 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 3gdg n LYS 19 Cb 0.79 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.64 3gdg n LYS 19 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gdg n GLY 20 N 1.11 0.46 3.61 3.14 0.00 -1.26 -4.96 105.19 107.31 3gdg n GLY 20 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.58 2.17 -0.19 1.61 1.02 -0.11 -5.01 119.74 118.65 3gdg s LYS 21 Ca 0.00 -1.51 -0.01 0.00 0.02 0.00 0.00 55.97 54.48 3gdg s LYS 21 Cb 0.00 -2.08 0.01 0.00 -0.52 0.00 0.00 37.83 35.24 3gdg s LYS 21 CO 0.00 0.34 -0.13 0.08 -0.92 0.00 0.00 175.35 174.72 3gdg s VAL 22 N -2.37 2.67 0.01 3.17 1.01 -1.26 -0.76 120.40 122.86 3gdg s VAL 22 Ca 0.31 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.62 3gdg s VAL 22 Cb -0.06 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3gdg s VAL 22 CO 0.19 0.49 -0.18 -0.69 0.00 0.00 0.00 175.10 174.91 3gdg s VAL 23 N 1.26 2.75 -0.06 2.92 1.01 0.23 0.08 120.40 128.58 3gdg s VAL 23 Ca 0.03 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 61.01 3gdg s VAL 23 Cb -0.14 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 3gdg s VAL 23 CO -0.07 0.44 -0.20 0.54 0.00 0.00 0.00 175.10 175.81 3gdg s VAL 24 N -0.83 2.49 -0.15 2.92 0.11 -0.85 -0.94 120.40 123.14 3gdg s VAL 24 Ca 0.13 -0.92 0.00 0.00 -2.93 0.00 0.00 61.98 58.27 3gdg s VAL 24 Cb -0.10 -1.94 0.02 0.00 -1.53 0.00 0.00 36.38 32.83 3gdg s VAL 24 CO 0.03 0.57 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.54 3gdg s VAL 25 N -0.33 1.61 -0.22 2.04 1.01 0.15 -1.55 120.40 123.10 3gdg s VAL 25 Ca 0.02 -0.66 0.19 0.00 0.00 0.00 0.00 61.98 61.54 3gdg s VAL 25 Cb -0.13 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.78 3gdg s VAL 25 CO 0.02 0.47 1.15 0.71 0.00 0.00 0.00 175.10 177.44 3gdg h THR 26 N 6.04 0.30 0.08 3.92 1.35 -1.79 0.44 112.91 123.26 3gdg h THR 26 Ca -0.39 -1.52 -0.27 0.00 -0.55 0.00 0.00 66.41 63.69 3gdg h THR 26 Cb 1.14 1.91 -0.01 0.00 -1.73 0.00 0.00 68.15 69.45 3gdg h THR 26 CO 0.54 0.17 -1.29 1.23 -0.25 0.00 0.00 175.52 175.92 3gdg h GLY 27 N 3.82 0.20 -5.00 5.82 0.00 -1.80 -3.38 103.07 102.73 3gdg h GLY 27 Ca -0.05 -0.51 -0.57 0.00 0.00 0.00 0.00 47.33 46.20 3gdg h GLY 27 CO 0.03 0.45 0.90 0.00 0.00 0.00 0.00 176.54 177.91 3gdg n ALA 28 N -2.52 1.67 -0.39 3.60 0.00 -1.26 -4.62 120.51 116.99 3gdg n ALA 28 Ca -0.09 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3gdg n ALA 28 Cb 1.01 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 4.07 0.00 -4.50 0.00 3.41 -1.26 -3.92 113.62 111.42 3gdg n SER 29 Ca 0.17 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.55 3gdg n SER 29 Cb 0.31 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.15 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 0.00 2.14 0.58 5.00 0.00 -1.26 -3.13 107.32 110.65 3gdg s GLY 30 Ca 0.00 -2.09 0.30 0.00 0.00 0.00 0.00 44.72 42.93 3gdg s GLY 30 CO 0.00 -1.92 2.23 -0.56 0.00 0.00 0.00 173.10 172.86 3gdg h PRO 31 N 2.05 0.00 -4.95 2.90 0.13 -1.99 -3.44 132.00 126.71 3gdg h PRO 31 Ca -0.42 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.27 3gdg h PRO 31 Cb 1.24 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 3gdg h PRO 31 CO 0.72 0.02 -0.56 -1.59 -0.23 0.00 0.00 178.00 176.36 3gdg s LYS 32 N -4.51 1.64 0.00 0.86 -2.85 -1.26 -4.96 119.74 108.66 3gdg s LYS 32 Ca -0.05 -1.94 0.00 0.00 -1.00 0.00 0.00 55.97 52.98 3gdg s LYS 32 Cb 0.15 -0.30 0.00 0.00 -2.06 0.00 0.00 37.83 35.61 3gdg s LYS 32 CO 0.54 -0.41 0.00 0.41 0.10 0.00 0.00 175.35 176.00 3gdg n GLY 33 N -0.64 3.47 0.30 0.59 0.00 -1.26 -4.68 105.19 102.96 3gdg n GLY 33 Ca -0.01 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.14 3gdg n GLY 33 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3gdg h MET 34 N 0.00 0.82 0.02 1.61 2.86 -1.94 -2.84 114.93 115.47 3gdg h MET 34 Ca 0.00 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3gdg h MET 34 Cb 0.00 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 3gdg h MET 34 CO 0.00 0.54 -0.16 0.78 1.06 0.00 0.00 176.91 179.13 3gdg h GLY 35 N 0.85 -0.23 1.18 8.32 0.00 -1.89 -2.48 103.07 108.81 3gdg h GLY 35 Ca 0.35 0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.84 3gdg h GLY 35 CO -0.18 -0.16 0.34 1.19 0.00 0.00 0.00 176.54 177.73 3gdg h ILE 36 N -0.28 1.24 0.00 2.60 6.09 -1.81 -2.03 117.51 123.32 3gdg h ILE 36 Ca 0.05 -0.68 0.00 0.00 -1.37 0.00 0.00 64.86 62.85 3gdg h ILE 36 Cb 0.34 0.30 0.00 0.00 0.47 0.00 0.00 36.82 37.93 3gdg h ILE 36 CO -0.14 0.29 0.00 -0.33 -3.07 0.00 0.00 178.15 174.90 3gdg h GLU 37 N 1.05 0.00 0.03 2.19 4.39 -1.38 -1.98 114.58 118.88 3gdg h GLU 37 Ca 0.25 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.90 3gdg h GLU 37 Cb 0.13 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3gdg h GLU 37 CO -0.03 0.00 -0.22 0.00 -1.16 0.00 0.00 179.01 177.60 3gdg h ALA 38 N 2.15 -0.02 -0.74 3.43 0.00 -0.91 -3.02 119.26 120.15 3gdg h ALA 38 Ca 0.00 -0.53 0.04 0.00 0.00 0.00 0.00 54.91 54.42 3gdg h ALA 38 Cb 0.51 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 3gdg h ALA 38 CO 0.00 0.09 0.46 0.00 0.00 0.00 0.00 179.25 179.80 3gdg h ALA 39 N 0.07 0.98 0.00 0.00 0.00 -1.22 -0.96 119.26 118.13 3gdg h ALA 39 Ca -0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3gdg h ALA 39 Cb 1.13 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3gdg h ALA 39 CO 0.04 0.23 -0.00 0.00 0.00 0.00 0.00 179.25 179.52 3gdg h ARG 40 N 0.88 -0.00 -0.57 0.00 3.08 -1.48 0.41 114.38 116.70 3gdg h ARG 40 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 3gdg h ARG 40 Cb 0.06 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3gdg h ARG 40 CO -0.13 0.01 0.37 0.78 -1.07 0.00 0.00 179.97 179.94 3gdg h GLY 41 N -0.01 0.81 0.88 0.04 0.00 -1.34 0.41 103.07 103.85 3gdg h GLY 41 Ca -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 3gdg h GLY 41 CO 0.00 0.31 0.05 0.00 0.00 0.00 0.00 176.54 176.89 3gdg h ALA 43 N 0.87 0.93 -0.04 0.00 0.00 0.23 0.27 119.26 121.52 3gdg h ALA 43 Ca 0.08 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3gdg h ALA 43 Cb 0.33 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3gdg h ALA 43 CO 0.00 0.17 0.04 1.49 0.00 0.00 0.00 179.25 180.95 3gdg h GLU 44 N 0.81 0.00 -0.00 0.00 4.81 -0.02 0.76 114.58 120.95 3gdg h GLU 44 Ca 0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3gdg h GLU 44 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3gdg h GLU 44 CO -0.14 0.00 -0.01 -1.33 -0.73 0.00 0.00 179.01 176.81 3gdg n MET 45 N -3.95 0.92 -0.88 1.92 2.81 0.92 -4.88 117.12 113.97 3gdg n MET 45 Ca -0.02 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 3gdg n MET 45 Cb 0.13 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 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 1.08 0.79 3.95 3.03 0.00 0.26 -1.79 105.19 112.51 3gdg n GLY 46 Ca 0.21 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.16 4.61 0.00 -1.08 -3.58 121.76 123.30 3gdg s ALA 47 Ca 0.00 -0.98 -0.21 0.00 0.00 0.00 0.00 51.96 50.77 3gdg s ALA 47 Cb 0.00 -2.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 3gdg s ALA 47 CO 0.00 -0.01 0.64 0.00 0.00 0.00 0.00 175.76 176.39 3gdg s ALA 48 N -2.28 3.50 -0.12 0.00 0.00 0.06 -4.52 121.76 118.39 3gdg s ALA 48 Ca 0.40 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.19 3gdg s ALA 48 Cb -0.10 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.06 3gdg s ALA 48 CO 0.35 -0.42 -0.12 0.08 0.00 0.00 0.00 175.76 175.65 3gdg s VAL 49 N 1.58 3.15 -0.12 0.00 1.01 -1.01 -0.60 120.40 124.41 3gdg s VAL 49 Ca 0.31 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.68 3gdg s VAL 49 Cb -0.16 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.91 3gdg s VAL 49 CO 0.12 0.53 -0.21 0.00 0.00 0.00 0.00 175.10 175.54 3gdg s ALA 50 N 0.16 2.27 0.25 5.51 0.00 -0.12 -2.20 121.76 127.63 3gdg s ALA 50 Ca -0.07 -1.01 0.12 0.00 0.00 0.00 0.00 51.96 51.00 3gdg s ALA 50 Cb -0.15 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 3gdg s ALA 50 CO 0.05 0.15 -0.21 0.96 0.00 0.00 0.00 175.76 176.71 3gdg s ILE 51 N 0.54 2.39 0.31 0.00 -4.36 -0.47 0.29 121.20 119.89 3gdg s ILE 51 Ca -0.13 -2.27 0.11 0.00 -0.26 0.00 0.00 60.65 58.10 3gdg s ILE 51 Cb -0.17 -2.22 -0.05 0.00 1.25 0.00 0.00 42.46 41.27 3gdg s ILE 51 CO 0.04 -0.32 -0.13 0.42 0.24 0.00 0.00 174.94 175.19 3gdg s THR 52 N -2.25 2.49 -0.01 8.37 -4.23 0.14 -0.94 115.64 119.21 3gdg s THR 52 Ca 0.26 -2.26 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 3gdg s THR 52 Cb -0.06 -2.50 -0.00 0.00 1.34 0.00 0.00 72.50 71.28 3gdg s THR 52 CO 0.13 -0.31 0.02 -0.72 -0.54 0.00 0.00 174.62 173.20 3gdg s TYR 53 N -2.53 0.02 0.03 3.99 -0.85 -0.46 -4.30 117.35 113.25 3gdg s TYR 53 Ca 0.31 -0.03 0.16 0.00 -0.52 0.00 0.00 57.07 56.99 3gdg s TYR 53 Cb -0.02 -0.02 0.31 0.00 0.38 0.00 0.00 41.96 42.61 3gdg s TYR 53 CO 0.16 -0.05 1.56 0.00 -1.52 0.00 0.00 175.55 175.70 3gdg h ALA 54 N 5.82 0.78 0.00 9.51 0.00 -1.89 -1.69 119.26 131.79 3gdg h ALA 54 Ca -0.26 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3gdg h ALA 54 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3gdg h ALA 54 CO 0.48 0.64 0.00 0.45 0.00 0.00 0.00 179.25 180.81 3gdg n SER 55 N -3.39 0.00 -2.07 0.00 2.88 -1.26 -4.80 113.62 104.98 3gdg n SER 55 Ca 0.01 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.54 3gdg n SER 55 Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 3gdg n SER 55 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 3gdg n ARG 56 N -1.07 -0.53 0.13 -1.46 0.63 -1.26 -4.93 116.66 108.17 3gdg n ARG 56 Ca 0.00 0.76 0.04 0.00 -0.92 0.00 0.00 57.85 57.73 3gdg n ARG 56 Cb 0.00 -3.03 0.45 0.00 0.45 0.00 0.00 32.46 30.33 3gdg n ARG 56 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gdg h ALA 57 N 0.13 1.66 -0.97 5.13 0.00 -1.96 -3.26 119.26 119.99 3gdg h ALA 57 Ca -0.04 -0.12 0.31 0.00 0.00 0.00 0.00 54.91 55.06 3gdg h ALA 57 Cb 1.02 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.57 3gdg h ALA 57 CO 0.12 0.26 0.43 1.96 0.00 0.00 0.00 179.25 182.02 3gdg h GLN 58 N 0.24 0.20 -0.26 0.00 7.50 -1.95 0.28 115.11 121.13 3gdg h GLN 58 Ca 0.06 -0.01 -0.12 0.00 0.50 0.00 0.00 58.65 59.08 3gdg h GLN 58 Cb 0.20 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.67 3gdg h GLN 58 CO 0.01 0.14 -0.33 0.78 -1.50 0.00 0.00 178.83 177.92 3gdg h GLY 59 N 0.21 0.60 2.00 3.46 0.00 -1.74 -0.38 103.07 107.22 3gdg h GLY 59 Ca 0.70 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 47.37 3gdg h GLY 59 CO -0.68 0.50 -0.49 0.00 0.00 0.00 0.00 176.54 175.88 3gdg h ALA 60 N 1.17 1.08 -0.24 3.60 0.00 -0.48 -1.96 119.26 122.43 3gdg h ALA 60 Ca 0.05 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.35 3gdg h ALA 60 Cb 0.80 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3gdg h ALA 60 CO 0.07 0.61 -0.54 0.93 0.00 0.00 0.00 179.25 180.31 3gdg h GLU 61 N 0.00 0.79 0.39 0.00 4.39 -0.69 -2.01 114.58 117.45 3gdg h GLU 61 Ca -0.00 -0.53 -0.00 0.00 0.34 0.00 0.00 59.36 59.16 3gdg h GLU 61 Cb 0.92 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.62 3gdg h GLU 61 CO 0.06 1.16 -0.39 0.93 -1.16 0.00 0.00 179.01 179.60 3gdg h GLU 62 N 0.53 -0.77 -0.46 2.33 5.08 -0.59 -1.70 114.58 119.01 3gdg h GLU 62 Ca -0.00 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.49 3gdg h GLU 62 Cb 1.15 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 30.52 3gdg h GLU 62 CO 0.12 -0.52 0.08 -0.91 -1.00 0.00 0.00 179.01 176.78 3gdg h ASN 63 N -0.80 -0.03 -0.53 1.42 -0.26 -1.37 -0.47 115.58 113.53 3gdg h ASN 63 Ca -0.03 0.09 0.11 0.00 -0.56 0.00 0.00 56.30 55.90 3gdg h ASN 63 Cb 0.72 0.12 -0.09 0.00 -1.06 0.00 0.00 38.32 38.02 3gdg h ASN 63 CO -0.07 0.02 -0.02 0.58 -1.06 0.00 0.00 177.43 176.88 3gdg h VAL 64 N 0.20 0.56 -0.49 2.81 2.07 -1.12 0.76 116.25 121.04 3gdg h VAL 64 Ca 0.23 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.76 3gdg h VAL 64 Cb 0.30 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 3gdg h VAL 64 CO -0.31 0.02 0.23 0.11 0.02 0.00 0.00 177.57 177.63 3gdg h LYS 65 N 0.10 0.43 0.46 1.57 1.57 -0.23 -2.40 116.57 118.07 3gdg h LYS 65 Ca 0.27 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 3gdg h LYS 65 Cb 0.41 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3gdg h LYS 65 CO -0.46 0.29 -0.22 1.49 -0.57 0.00 0.00 179.45 179.97 3gdg h GLU 66 N 0.45 -0.60 -0.19 3.15 4.81 0.54 -1.32 114.58 121.42 3gdg h GLU 66 Ca 0.22 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.54 3gdg h GLU 66 Cb 0.17 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.61 3gdg h GLU 66 CO -0.18 -0.38 -0.43 -0.07 -0.73 0.00 0.00 179.01 177.21 3gdg h LEU 67 N -0.65 -1.38 -1.30 1.64 3.38 -0.78 0.59 115.31 116.81 3gdg h LEU 67 Ca -0.06 0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.16 3gdg h LEU 67 Cb 0.49 0.57 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 3gdg h LEU 67 CO 0.10 -0.42 0.52 -0.33 0.09 0.00 0.00 178.44 178.40 3gdg h GLU 68 N -0.47 0.82 -0.01 1.13 5.08 -1.44 0.45 114.58 120.14 3gdg h GLU 68 Ca 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3gdg h GLU 68 Cb 0.62 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3gdg h GLU 68 CO -0.44 0.54 -0.18 1.17 -1.00 0.00 0.00 179.01 179.10 3gdg n LYS 69 N -4.49 1.08 -0.07 2.33 4.81 -0.49 -1.53 118.16 119.81 3gdg n LYS 69 Ca 0.12 -0.63 -0.09 0.00 -0.87 0.00 0.00 58.31 56.83 3gdg n LYS 69 Cb 0.23 -1.49 -0.07 0.00 0.02 0.00 0.00 35.03 33.72 3gdg n LYS 69 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3gdg n THR 70 N -0.41 0.80 0.37 3.15 -2.24 0.19 -4.71 114.28 111.45 3gdg n THR 70 Ca 0.14 -0.33 0.07 0.00 -2.27 0.00 0.00 64.05 61.66 3gdg n THR 70 Cb 0.35 -0.96 -0.10 0.00 -2.10 0.00 0.00 70.33 67.52 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 -2.84 0.00 -1.51 4.78 4.01 0.15 -5.01 117.16 116.73 3gdg n TYR 71 Ca -0.24 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.44 3gdg n TYR 71 Cb 0.78 -0.17 -0.02 0.00 -0.31 0.00 0.00 39.34 39.63 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 1.48 0.56 3.86 2.72 0.00 -0.58 -4.98 105.19 108.25 3gdg n GLY 72 Ca 0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.23 3.01 0.18 -0.61 -5.25 -1.25 -5.03 121.20 110.02 3gdg s ILE 73 Ca 0.00 -1.38 -0.19 0.00 -0.99 0.00 0.00 60.65 58.09 3gdg s ILE 73 Cb 0.00 -3.07 -0.08 0.00 2.95 0.00 0.00 42.46 42.26 3gdg s ILE 73 CO 0.00 -0.08 0.68 -0.75 -1.79 0.00 0.00 174.94 173.00 3gdg s LYS 74 N -4.06 4.23 -0.00 0.37 2.36 -1.26 -4.09 119.74 117.28 3gdg s LYS 74 Ca 0.45 0.81 -0.29 0.00 -2.55 0.00 0.00 55.97 54.39 3gdg s LYS 74 Cb -0.04 -2.97 0.07 0.00 -1.05 0.00 0.00 37.83 33.84 3gdg s LYS 74 CO 0.27 0.46 0.67 0.00 1.55 0.00 0.00 175.35 178.30 3gdg s ALA 75 N -1.42 -1.73 0.19 3.13 0.00 -1.26 -2.41 121.76 118.26 3gdg s ALA 75 Ca 0.40 1.12 -0.10 0.00 0.00 0.00 0.00 51.96 53.37 3gdg s ALA 75 Cb -0.17 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 3gdg s ALA 75 CO 0.21 -0.47 0.35 0.15 0.00 0.00 0.00 175.76 176.00 3gdg s LYS 76 N -1.83 1.29 0.05 0.00 1.02 -0.93 -4.96 119.74 114.38 3gdg s LYS 76 Ca -0.08 -1.19 0.08 0.00 0.02 0.00 0.00 55.97 54.80 3gdg s LYS 76 Cb -0.00 0.41 -0.03 0.00 -0.52 0.00 0.00 37.83 37.69 3gdg s LYS 76 CO 0.04 -0.50 -0.22 0.00 -0.92 0.00 0.00 175.35 173.75 3gdg s ALA 77 N -3.98 2.44 0.17 5.17 0.00 -1.26 -1.37 121.76 122.93 3gdg s ALA 77 Ca 0.19 -1.25 0.02 0.00 0.00 0.00 0.00 51.96 50.92 3gdg s ALA 77 Cb 0.02 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.49 3gdg s ALA 77 CO 0.03 0.55 0.01 0.71 0.00 0.00 0.00 175.76 177.06 3gdg s TYR 78 N -0.89 1.20 -0.13 0.00 1.51 -0.12 -4.95 117.35 113.96 3gdg s TYR 78 Ca 0.13 -1.04 -0.10 0.00 -1.01 0.00 0.00 57.07 55.05 3gdg s TYR 78 Cb -0.10 -0.68 -0.05 0.00 -0.11 0.00 0.00 41.96 41.02 3gdg s TYR 78 CO 0.04 -0.24 0.21 0.21 -1.11 0.00 0.00 175.55 174.66 3gdg s LYS 79 N -3.93 3.86 -0.13 -0.62 2.20 -1.26 -1.35 119.74 118.51 3gdg s LYS 79 Ca 0.25 -0.03 -0.06 0.00 -0.36 0.00 0.00 55.97 55.77 3gdg s LYS 79 Cb 0.06 -3.30 0.06 0.00 -1.51 0.00 0.00 37.83 33.14 3gdg s LYS 79 CO 0.04 0.54 0.29 0.00 -0.36 0.00 0.00 175.35 175.86 3gdg s GLN 81 N 1.66 3.13 0.58 0.00 -0.21 -1.26 -4.17 119.66 119.39 3gdg s GLN 81 Ca -0.06 -2.57 0.35 0.00 0.02 0.00 0.00 55.36 53.10 3gdg s GLN 81 Cb -0.11 -4.09 1.36 0.00 1.00 0.00 0.00 33.01 31.18 3gdg s GLN 81 CO -0.10 -1.23 1.59 -0.39 -2.12 0.00 0.00 175.29 173.04 3gdg h VAL 82 N 4.93 0.16 0.00 1.09 -1.51 -1.94 0.88 116.25 119.86 3gdg h VAL 82 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.53 3gdg h VAL 82 Cb 0.98 0.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.36 3gdg h VAL 82 CO 0.74 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.18 3gdg n ASP 83 N -3.69 0.00 -4.20 4.19 5.75 -1.26 -4.15 116.55 113.19 3gdg n ASP 83 Ca 0.25 -0.68 -0.34 0.00 -0.01 0.00 0.00 54.79 54.01 3gdg n ASP 83 Cb 1.40 -0.02 -0.15 0.00 -1.03 0.00 0.00 41.12 41.32 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 -2.05 3.85 0.07 -1.12 0.15 0.31 -4.91 113.70 110.00 3gdg s SER 84 Ca 0.34 -0.66 -0.35 0.00 0.70 0.00 0.00 55.95 55.98 3gdg s SER 84 Cb 0.16 -1.61 -0.18 0.00 -1.71 0.00 0.00 66.02 62.68 3gdg s SER 84 CO 0.28 -0.05 1.60 0.22 1.20 0.00 0.00 173.24 176.49 3gdg h TYR 85 N 8.00 -1.10 -1.14 3.44 3.20 -1.83 -2.42 116.97 125.14 3gdg h TYR 85 Ca -0.40 -0.01 0.34 0.00 3.14 0.00 0.00 58.73 61.80 3gdg h TYR 85 Cb 1.13 0.39 -0.12 0.00 1.54 0.00 0.00 36.73 39.67 3gdg h TYR 85 CO 0.54 -0.63 0.71 1.49 -1.64 0.00 0.00 178.16 178.63 3gdg h GLU 86 N -1.05 0.25 -0.64 1.82 4.81 -1.95 0.42 114.58 118.24 3gdg h GLU 86 Ca -0.09 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 3gdg h GLU 86 Cb 0.84 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 3gdg h GLU 86 CO 0.11 0.17 0.19 1.03 -0.73 0.00 0.00 179.01 179.77 3gdg h SER 87 N 0.26 0.95 -0.26 1.04 0.87 -1.74 0.35 113.55 115.02 3gdg h SER 87 Ca 0.71 -0.22 -0.17 0.00 -1.23 0.00 0.00 61.79 60.88 3gdg h SER 87 Cb 1.95 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.66 3gdg h SER 87 CO -0.42 0.91 -0.52 0.00 -0.53 0.00 0.00 176.83 176.27 3gdg h GLU 89 N 0.57 0.93 -0.16 0.00 4.81 -0.96 -1.68 114.58 118.09 3gdg h GLU 89 Ca 0.01 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 58.91 3gdg h GLU 89 Cb 1.13 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 3gdg h GLU 89 CO 0.12 0.91 -0.19 0.87 -0.73 0.00 0.00 179.01 179.98 3gdg h LYS 90 N 0.81 0.27 -0.91 1.92 1.57 -0.86 -1.53 116.57 117.84 3gdg h LYS 90 Ca 0.16 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3gdg h LYS 90 Cb 0.46 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 3gdg h LYS 90 CO 0.02 0.47 0.55 1.25 -0.57 0.00 0.00 179.45 181.16 3gdg h LEU 91 N 0.25 1.09 -0.09 2.94 5.85 -0.36 -0.32 115.31 124.67 3gdg h LEU 91 Ca 0.05 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 3gdg h LEU 91 Cb 0.49 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3gdg h LEU 91 CO 0.03 0.83 -0.36 0.58 -0.34 0.00 0.00 178.44 179.19 3gdg h VAL 92 N 1.25 1.40 -0.65 1.05 2.07 -0.79 -2.18 116.25 118.40 3gdg h VAL 92 Ca 0.33 -1.72 0.03 0.00 0.82 0.00 0.00 66.70 66.16 3gdg h VAL 92 Cb -0.06 2.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 3gdg h VAL 92 CO -0.06 0.50 0.40 0.50 0.02 0.00 0.00 177.57 178.93 3gdg h LYS 93 N -0.05 0.76 0.39 1.57 3.64 -1.13 -2.28 116.57 119.46 3gdg h LYS 93 Ca -0.02 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3gdg h LYS 93 Cb 1.00 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3gdg h LYS 93 CO 0.07 0.50 -0.19 -0.44 -2.27 0.00 0.00 179.45 177.13 3gdg h ASP 94 N 0.78 -0.44 -0.61 4.20 3.32 -1.10 -1.97 116.42 120.60 3gdg h ASP 94 Ca 0.26 -0.13 0.11 0.00 0.02 0.00 0.00 57.03 57.29 3gdg h ASP 94 Cb 0.03 0.11 -0.12 0.00 0.22 0.00 0.00 39.33 39.57 3gdg h ASP 94 CO -0.11 -0.05 -0.32 0.58 -1.72 0.00 0.00 179.24 177.62 3gdg h VAL 95 N -0.92 0.18 -0.90 -1.35 2.07 -1.34 0.67 116.25 114.65 3gdg h VAL 95 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3gdg h VAL 95 Cb 0.55 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3gdg h VAL 95 CO 0.09 0.00 0.56 0.58 0.02 0.00 0.00 177.57 178.82 3gdg h VAL 96 N -0.14 1.24 -0.72 2.57 2.07 -1.48 1.41 116.25 121.20 3gdg h VAL 96 Ca 0.24 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3gdg h VAL 96 Cb 0.55 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3gdg h VAL 96 CO -0.69 0.24 0.40 0.00 0.02 0.00 0.00 177.57 177.54 3gdg h ALA 97 N 1.39 1.35 0.00 1.67 0.00 -0.14 0.63 119.26 124.16 3gdg h ALA 97 Ca 0.32 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3gdg h ALA 97 Cb -0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3gdg h ALA 97 CO -0.06 0.54 -1.39 -0.25 0.00 0.00 0.00 179.25 178.09 3gdg n ASP 98 N -4.37 0.60 -0.01 0.00 8.00 -0.17 -4.48 116.55 116.13 3gdg n ASP 98 Ca 0.07 0.24 0.01 0.00 0.71 0.00 0.00 54.79 55.83 3gdg n ASP 98 Cb 0.09 0.81 -0.06 0.00 -0.02 0.00 0.00 41.12 41.94 3gdg n ASP 98 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gdg n PHE 99 N -2.61 0.00 0.00 1.24 3.72 0.48 -5.02 117.46 115.26 3gdg n PHE 99 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 3gdg n PHE 99 Cb 0.63 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 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 2.23 3.24 3.65 1.37 0.00 0.22 -4.99 105.19 110.91 3gdg n GLY 100 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.52 0.54 -0.08 1.61 -2.07 -1.26 -4.93 119.66 112.96 3gdg s GLN 101 Ca 0.00 -0.30 -0.01 0.00 -1.82 0.00 0.00 55.36 53.23 3gdg s GLN 101 Cb 0.00 0.18 0.03 0.00 -1.09 0.00 0.00 33.01 32.13 3gdg s GLN 101 CO 0.00 -0.25 -0.03 0.42 -1.32 0.00 0.00 175.29 174.12 3gdg s ILE 102 N -2.56 0.59 -0.22 3.63 1.01 -1.26 -4.59 121.20 117.80 3gdg s ILE 102 Ca 0.14 -0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.65 3gdg s ILE 102 Cb 0.04 -0.70 -0.18 0.00 0.01 0.00 0.00 42.46 41.63 3gdg s ILE 102 CO -0.03 0.29 0.01 0.47 0.00 0.00 0.00 174.94 175.68 3gdg n ASP 103 N 5.03 1.97 -4.27 3.58 8.00 0.11 -4.86 116.55 126.10 3gdg n ASP 103 Ca -0.10 0.25 -0.24 0.00 0.71 0.00 0.00 54.79 55.42 3gdg n ASP 103 Cb 0.50 -0.81 -0.13 0.00 -0.02 0.00 0.00 41.12 40.67 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 -2.47 1.76 -0.12 2.24 0.00 -1.08 -0.54 121.76 121.54 3gdg s ALA 104 Ca -0.31 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 50.43 3gdg s ALA 104 Cb 0.09 -0.25 0.04 0.00 0.00 0.00 0.00 23.12 23.00 3gdg s ALA 104 CO 0.60 0.36 0.01 0.12 0.00 0.00 0.00 175.76 176.85 3gdg s PHE 105 N -1.10 0.82 -0.43 0.00 5.36 -0.24 -2.01 117.98 120.38 3gdg s PHE 105 Ca 0.06 -0.44 -0.07 0.00 -0.96 0.00 0.00 56.93 55.52 3gdg s PHE 105 Cb -0.10 -0.90 0.10 0.00 -0.34 0.00 0.00 43.02 41.79 3gdg s PHE 105 CO 0.04 -0.44 0.27 0.42 -1.46 0.00 0.00 175.22 174.04 3gdg s ILE 106 N 1.92 3.87 -0.08 3.12 1.01 -0.59 -0.41 121.20 130.04 3gdg s ILE 106 Ca 0.03 -1.77 -0.19 0.00 0.00 0.00 0.00 60.65 58.71 3gdg s ILE 106 Cb -0.14 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 3gdg s ILE 106 CO -0.06 -0.66 0.54 0.00 0.00 0.00 0.00 174.94 174.75 3gdg s ALA 107 N 1.30 3.47 -0.07 9.38 0.00 -0.63 -2.62 121.76 132.60 3gdg s ALA 107 Ca 0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 51.96 51.93 3gdg s ALA 107 Cb -0.24 -2.71 0.02 0.00 0.00 0.00 0.00 23.12 20.20 3gdg s ALA 107 CO -0.01 0.05 -0.04 1.21 0.00 0.00 0.00 175.76 176.97 3gdg s ASN 108 N 0.38 1.40 -0.33 0.00 3.04 -1.26 -1.80 114.94 116.38 3gdg s ASN 108 Ca 0.29 -0.14 -0.02 0.00 0.04 0.00 0.00 52.86 53.03 3gdg s ASN 108 Cb -0.16 -0.52 0.07 0.00 -1.54 0.00 0.00 41.25 39.09 3gdg s ASN 108 CO 0.13 -0.11 0.05 0.00 -3.04 0.00 0.00 177.10 174.13 3gdg s ALA 109 N 1.41 2.90 -1.05 1.71 0.00 -1.26 -4.50 121.76 120.97 3gdg s ALA 109 Ca -0.03 -1.98 0.27 0.00 0.00 0.00 0.00 51.96 50.23 3gdg s ALA 109 Cb -0.13 -2.06 0.95 0.00 0.00 0.00 0.00 23.12 21.87 3gdg s ALA 109 CO -0.03 -1.42 1.72 0.41 0.00 0.00 0.00 175.76 176.44 3gdg n GLY 110 N 4.60 -1.35 3.57 0.00 0.00 -1.26 -4.77 105.19 105.98 3gdg n GLY 110 Ca -0.10 -0.21 -0.56 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.45 -2.03 -2.48 4.61 0.00 -1.26 -4.97 120.51 112.92 3gdg n ALA 111 Ca 0.07 0.54 -0.21 0.00 0.00 0.00 0.00 53.44 53.84 3gdg n ALA 111 Cb 0.33 -1.95 -0.04 0.00 0.00 0.00 0.00 19.45 17.80 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 0.62 3.42 0.09 0.00 -4.23 -1.26 -4.88 115.64 109.40 3gdg s THR 112 Ca 0.89 -1.39 0.09 0.00 -1.18 0.00 0.00 61.69 60.11 3gdg s THR 112 Cb -1.12 -3.16 -0.04 0.00 1.34 0.00 0.00 72.50 69.53 3gdg s THR 112 CO 0.54 -0.16 -0.24 0.00 -0.54 0.00 0.00 174.62 174.23 3gdg s ALA 113 N -2.33 2.44 -0.12 3.99 0.00 -1.26 -4.91 121.76 119.57 3gdg s ALA 113 Ca 0.41 -1.34 0.09 0.00 0.00 0.00 0.00 51.96 51.12 3gdg s ALA 113 Cb -0.05 -0.52 0.16 0.00 0.00 0.00 0.00 23.12 22.71 3gdg s ALA 113 CO 0.26 0.55 1.10 -0.40 0.00 0.00 0.00 175.76 177.28 3gdg n ASP 114 N 1.25 2.30 -3.63 0.00 5.75 -1.26 -4.86 116.55 116.10 3gdg n ASP 114 Ca -0.17 -2.49 -0.01 0.00 -0.01 0.00 0.00 54.79 52.11 3gdg n ASP 114 Cb 0.52 -0.22 -0.00 0.00 -1.03 0.00 0.00 41.12 40.40 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 -1.80 -0.08 0.92 -1.12 1.04 -0.93 -4.89 113.70 106.84 3gdg s SER 115 Ca 0.17 -0.37 -0.14 0.00 0.48 0.00 0.00 55.95 56.09 3gdg s SER 115 Cb 0.14 0.36 0.18 0.00 0.10 0.00 0.00 66.02 66.80 3gdg s SER 115 CO 0.03 -0.69 1.27 -0.83 0.98 0.00 0.00 173.24 173.99 3gdg s GLY 116 N -3.14 1.76 0.36 7.32 0.00 -1.16 -3.90 107.32 108.56 3gdg s GLY 116 Ca 0.16 -1.19 0.05 0.00 0.00 0.00 0.00 44.72 43.74 3gdg s GLY 116 CO 0.01 -0.48 1.93 -2.22 0.00 0.00 0.00 173.10 172.34 3gdg h ILE 117 N -1.45 1.17 -0.12 0.90 2.04 -1.92 -0.28 117.51 117.86 3gdg h ILE 117 Ca -0.44 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 64.78 3gdg h ILE 117 Cb 1.25 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 3gdg h ILE 117 CO 0.42 0.22 -0.08 -0.07 0.00 0.00 0.00 178.15 178.64 3gdg h LEU 118 N 0.54 0.27 0.07 1.44 4.07 -1.98 -3.30 115.31 116.41 3gdg h LEU 118 Ca 0.13 -0.44 -0.27 0.00 0.08 0.00 0.00 57.88 57.38 3gdg h LEU 118 Cb 0.20 -0.08 0.01 0.00 1.08 0.00 0.00 40.66 41.87 3gdg h LEU 118 CO -0.00 0.65 -1.19 0.44 -1.08 0.00 0.00 178.44 177.26 3gdg h ASP 119 N -0.10 0.46 -4.28 -0.43 3.32 -1.92 -3.46 116.42 110.01 3gdg h ASP 119 Ca 0.02 -0.46 -0.50 0.00 0.02 0.00 0.00 57.03 56.11 3gdg h ASP 119 Cb 0.56 -0.15 0.08 0.00 0.22 0.00 0.00 39.33 40.04 3gdg h ASP 119 CO 0.02 1.34 0.38 -0.83 -1.72 0.00 0.00 179.24 178.43 3gdg s GLY 120 N -4.61 1.86 0.72 2.75 0.00 -0.12 -5.00 107.32 102.93 3gdg s GLY 120 Ca -0.04 0.19 -0.02 0.00 0.00 0.00 0.00 44.72 44.85 3gdg s GLY 120 CO 0.88 0.50 1.00 -1.35 0.00 0.00 0.00 173.10 174.13 3gdg s SER 121 N -3.39 4.34 0.15 1.64 1.04 -1.26 -4.84 113.70 111.38 3gdg s SER 121 Ca 0.60 -0.29 -0.11 0.00 0.48 0.00 0.00 55.95 56.63 3gdg s SER 121 Cb -0.14 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 65.86 3gdg s SER 121 CO 0.46 -1.87 1.51 0.58 0.98 0.00 0.00 173.24 174.91 3gdg h VAL 122 N -0.56 1.27 -0.60 5.02 2.07 -1.97 -2.21 116.25 119.27 3gdg h VAL 122 Ca -0.37 -1.48 0.07 0.00 0.82 0.00 0.00 66.70 65.74 3gdg h VAL 122 Cb 1.27 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 32.24 3gdg h VAL 122 CO 0.41 0.50 0.27 -0.08 0.02 0.00 0.00 177.57 178.70 3gdg h GLU 123 N 0.82 0.48 -0.52 1.57 4.81 -1.99 0.11 114.58 119.86 3gdg h GLU 123 Ca 0.08 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 3gdg h GLU 123 Cb 0.90 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 3gdg h GLU 123 CO 0.08 0.32 -0.06 0.00 -0.73 0.00 0.00 179.01 178.62 3gdg h ALA 124 N 1.36 0.90 0.67 2.92 0.00 -1.89 -1.80 119.26 121.43 3gdg h ALA 124 Ca 0.28 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3gdg h ALA 124 Cb 0.27 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.87 3gdg h ALA 124 CO -0.24 0.64 -0.32 2.35 0.00 0.00 0.00 179.25 181.68 3gdg h TRP 125 N 0.85 -0.83 -0.99 0.00 7.01 -0.70 -2.86 115.95 118.43 3gdg h TRP 125 Ca 0.14 -0.02 0.23 0.00 2.11 0.00 0.00 58.89 61.36 3gdg h TRP 125 Cb 0.59 0.27 -0.12 0.00 -2.10 0.00 0.00 29.16 27.80 3gdg h TRP 125 CO 0.04 -0.48 0.57 -0.91 -2.79 0.00 0.00 178.44 174.86 3gdg h ASN 126 N -1.02 0.64 0.74 2.65 2.35 -0.71 -0.70 115.58 119.52 3gdg h ASN 126 Ca -0.09 0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 3gdg h ASN 126 Cb 0.72 0.04 0.01 0.00 0.05 0.00 0.00 38.32 39.13 3gdg h ASN 126 CO 0.15 0.11 -0.35 -0.74 -1.65 0.00 0.00 177.43 174.95 3gdg h HIS 127 N 0.58 -0.92 -1.00 1.19 2.76 -1.26 0.19 115.15 116.69 3gdg h HIS 127 Ca 0.62 -0.02 0.19 0.00 -2.20 0.00 0.00 60.37 58.96 3gdg h HIS 127 Cb 1.16 0.30 -0.10 0.00 1.55 0.00 0.00 27.41 30.32 3gdg h HIS 127 CO -0.03 -0.57 0.61 0.28 -1.30 0.00 0.00 177.93 176.93 3gdg h VAL 128 N -1.06 0.72 -0.28 5.26 2.07 -1.16 0.17 116.25 121.97 3gdg h VAL 128 Ca -0.10 -0.27 -0.16 0.00 0.82 0.00 0.00 66.70 66.99 3gdg h VAL 128 Cb 0.76 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3gdg h VAL 128 CO 0.17 0.14 -0.48 0.58 0.02 0.00 0.00 177.57 178.00 3gdg h VAL 129 N 0.78 1.29 -0.26 2.57 2.07 -1.08 0.14 116.25 121.76 3gdg h VAL 129 Ca 0.57 -1.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 3gdg h VAL 129 Cb 0.88 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 3gdg h VAL 129 CO -0.37 0.54 -0.01 -0.61 0.02 0.00 0.00 177.57 177.14 3gdg h GLN 130 N 0.60 0.45 -0.01 1.57 5.75 0.16 0.78 115.11 124.42 3gdg h GLN 130 Ca 0.03 -0.15 -0.04 0.00 -0.15 0.00 0.00 58.65 58.35 3gdg h GLN 130 Cb 1.05 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.56 3gdg h GLN 130 CO 0.10 0.63 -0.14 0.28 -2.65 0.00 0.00 178.83 177.06 3gdg h VAL 131 N 0.23 1.55 0.17 2.39 2.07 -0.80 0.12 116.25 121.97 3gdg h VAL 131 Ca 0.07 -1.80 -0.28 0.00 0.82 0.00 0.00 66.70 65.51 3gdg h VAL 131 Cb 0.43 2.70 0.02 0.00 -1.52 0.00 0.00 31.29 32.91 3gdg h VAL 131 CO 0.01 0.48 -1.31 0.44 0.02 0.00 0.00 177.57 177.22 3gdg h ASP 132 N -0.57 0.55 0.00 0.57 3.45 -0.82 -3.18 116.42 116.44 3gdg h ASP 132 Ca -0.01 -0.91 0.00 0.00 0.43 0.00 0.00 57.03 56.53 3gdg h ASP 132 Cb 0.86 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 3gdg h ASP 132 CO 0.03 1.60 0.00 -0.11 -1.57 0.00 0.00 179.24 179.19 3gdg n LEU 133 N -3.88 0.18 -0.12 1.55 7.94 -0.30 -3.92 117.00 118.45 3gdg n LEU 133 Ca -0.20 0.33 0.15 0.00 -1.11 0.00 0.00 56.01 55.18 3gdg n LEU 133 Cb 0.95 -0.46 0.52 0.00 0.53 0.00 0.00 43.42 44.97 3gdg n LEU 133 CO 0.49 -0.46 1.20 0.78 -1.11 0.00 0.00 177.39 178.30 3gdg h ASN 134 N 0.00 0.35 -0.29 1.96 2.35 -0.80 0.27 115.58 119.42 3gdg h ASN 134 Ca 0.00 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 3gdg h ASN 134 Cb 0.00 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3gdg h ASN 134 CO 0.00 0.19 0.07 1.23 -1.65 0.00 0.00 177.43 177.27 3gdg h GLY 135 N 0.37 0.59 1.51 2.83 0.00 -0.74 0.62 103.07 108.25 3gdg h GLY 135 Ca 0.33 -0.31 -0.23 0.00 0.00 0.00 0.00 47.33 47.12 3gdg h GLY 135 CO -0.09 0.30 -0.93 -0.84 0.00 0.00 0.00 176.54 174.97 3gdg h THR 136 N 0.54 1.39 -0.40 4.70 2.02 -1.09 -1.98 112.91 118.07 3gdg h THR 136 Ca 0.12 -2.40 -0.00 0.00 0.77 0.00 0.00 66.41 64.90 3gdg h THR 136 Cb 0.23 2.38 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 3gdg h THR 136 CO -0.00 0.72 0.23 0.15 0.37 0.00 0.00 175.52 176.99 3gdg h PHE 137 N 0.25 0.53 -0.76 3.16 3.57 -0.44 -1.50 116.94 121.77 3gdg h PHE 137 Ca -0.08 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.50 3gdg h PHE 137 Cb 1.56 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 40.06 3gdg h PHE 137 CO 0.06 0.39 0.42 0.45 -2.23 0.00 0.00 178.31 177.40 3gdg h HIS 138 N 0.52 0.77 0.34 0.41 3.86 0.39 0.17 115.15 121.61 3gdg h HIS 138 Ca 0.14 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 3gdg h HIS 138 Cb 0.02 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.26 3gdg h HIS 138 CO -0.03 0.33 -0.16 0.00 0.86 0.00 0.00 177.93 178.92 3gdg h ALA 140 N 0.10 0.59 -0.57 0.00 0.00 -0.95 -0.81 119.26 117.62 3gdg h ALA 140 Ca -0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3gdg h ALA 140 Cb 0.40 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3gdg h ALA 140 CO 0.08 -0.03 0.24 -0.22 0.00 0.00 0.00 179.25 179.32 3gdg h LYS 141 N 0.56 0.82 -0.04 0.00 3.64 -0.56 0.68 116.57 121.67 3gdg h LYS 141 Ca 0.18 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3gdg h LYS 141 Cb 0.00 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3gdg h LYS 141 CO -0.08 0.66 -0.02 0.00 -2.27 0.00 0.00 179.45 177.74 3gdg h ALA 142 N 1.45 0.06 0.00 5.00 0.00 -0.56 -3.19 119.26 122.01 3gdg h ALA 142 Ca 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3gdg h ALA 142 Cb 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3gdg h ALA 142 CO -0.02 -0.20 -0.15 -0.24 0.00 0.00 0.00 179.25 178.63 3gdg h VAL 143 N -0.31 0.27 -0.43 0.00 3.04 -1.03 -3.34 116.25 114.45 3gdg h VAL 143 Ca 0.01 -1.32 0.03 0.00 -1.01 0.00 0.00 66.70 64.41 3gdg h VAL 143 Cb 0.46 2.08 -0.03 0.00 -2.01 0.00 0.00 31.29 31.78 3gdg h VAL 143 CO 0.01 0.15 0.23 1.23 -1.01 0.00 0.00 177.57 178.18 3gdg h GLY 144 N 3.64 0.59 2.00 3.17 0.00 0.39 -0.77 103.07 112.10 3gdg h GLY 144 Ca -0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 3gdg h GLY 144 CO 0.02 0.14 -0.27 0.45 0.00 0.00 0.00 176.54 176.87 3gdg h HIS 145 N 0.47 0.00 -0.06 5.60 3.86 -1.68 -0.16 115.15 123.18 3gdg h HIS 145 Ca 0.18 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.30 3gdg h HIS 145 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 3gdg h HIS 145 CO -0.08 0.27 -0.29 1.25 0.86 0.00 0.00 177.93 179.94 3gdg h HIS 146 N 0.00 0.41 -0.31 2.45 6.17 -1.65 -2.67 115.15 119.55 3gdg h HIS 146 Ca -0.00 -0.18 0.01 0.00 0.71 0.00 0.00 60.37 60.91 3gdg h HIS 146 Cb 0.50 -0.06 -0.02 0.00 2.52 0.00 0.00 27.41 30.35 3gdg h HIS 146 CO 0.00 0.91 0.21 0.74 0.71 0.00 0.00 177.93 180.50 3gdg h PHE 147 N -0.21 0.36 -0.26 5.26 0.04 -0.83 -2.07 116.94 119.22 3gdg h PHE 147 Ca -0.02 0.01 -0.17 0.00 2.80 0.00 0.00 57.97 60.59 3gdg h PHE 147 Cb 0.95 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.97 3gdg h PHE 147 CO 0.13 0.22 -0.50 -0.22 -0.60 0.00 0.00 178.31 177.34 3gdg h LYS 148 N 0.39 0.73 -0.17 1.51 3.64 -0.97 -1.46 116.57 120.23 3gdg h LYS 148 Ca 0.12 -0.44 -0.10 0.00 -1.27 0.00 0.00 60.65 58.96 3gdg h LYS 148 Cb 0.02 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3gdg h LYS 148 CO -0.03 1.06 -0.33 0.93 -2.27 0.00 0.00 179.45 178.82 3gdg h GLU 149 N 0.57 0.35 0.00 1.90 5.08 -1.04 -3.21 114.58 118.24 3gdg h GLU 149 Ca 0.02 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3gdg h GLU 149 Cb 1.07 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3gdg h GLU 149 CO 0.11 0.64 -0.77 0.54 -1.00 0.00 0.00 179.01 178.53 3gdg n ARG 150 N -4.08 0.25 -1.13 2.33 1.74 -0.87 -4.96 116.66 109.94 3gdg n ARG 150 Ca -0.01 0.04 -0.04 0.00 -0.77 0.00 0.00 57.85 57.07 3gdg n ARG 150 Cb 0.44 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 30.23 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 1.37 0.71 3.53 -0.13 0.00 -0.57 -4.98 105.19 105.12 3gdg n GLY 151 Ca 0.03 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 3gdg n GLY 151 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gdg s THR 152 N -2.08 0.00 0.00 2.61 -1.32 -0.86 -4.69 115.64 109.30 3gdg s THR 152 Ca 0.00 -0.23 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 3gdg s THR 152 Cb 0.00 -1.24 0.00 0.00 -1.51 0.00 0.00 72.50 69.75 3gdg s THR 152 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 3gdg n GLY 153 N -0.38 3.27 2.62 6.08 0.00 -1.17 -4.52 105.19 111.08 3gdg n GLY 153 Ca -0.13 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 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 2.61 -0.28 1.61 0.15 0.29 -1.60 113.70 116.49 3gdg s SER 154 Ca 0.00 -0.75 -0.11 0.00 0.70 0.00 0.00 55.95 55.79 3gdg s SER 154 Cb 0.00 -0.32 -0.05 0.00 -1.71 0.00 0.00 66.02 63.94 3gdg s SER 154 CO 0.00 -0.36 0.20 -0.22 1.20 0.00 0.00 173.24 174.07 3gdg s LEU 155 N 2.08 4.03 -0.23 3.45 2.96 -0.26 -1.07 118.68 129.63 3gdg s LEU 155 Ca 0.03 0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.94 3gdg s LEU 155 Cb -0.16 -2.14 0.02 0.00 0.50 0.00 0.00 46.19 44.40 3gdg s LEU 155 CO -0.13 -0.05 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.08 3gdg s VAL 156 N 1.74 2.83 -0.17 1.68 1.01 0.45 -1.94 120.40 126.00 3gdg s VAL 156 Ca 0.08 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 3gdg s VAL 156 Cb -0.16 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3gdg s VAL 156 CO 0.11 0.30 0.04 0.27 0.00 0.00 0.00 175.10 175.81 3gdg s ILE 157 N 1.35 4.61 -0.68 2.22 -5.25 -0.47 -1.60 121.20 121.38 3gdg s ILE 157 Ca 0.02 -0.10 -0.24 0.00 -0.99 0.00 0.00 60.65 59.33 3gdg s ILE 157 Cb -0.16 -3.05 0.05 0.00 2.95 0.00 0.00 42.46 42.25 3gdg s ILE 157 CO -0.06 0.48 1.08 -0.89 -1.79 0.00 0.00 174.94 173.77 3gdg s THR 158 N 0.23 4.11 0.00 8.37 2.01 -0.74 -0.95 115.64 128.66 3gdg s THR 158 Ca 0.03 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.03 3gdg s THR 158 Cb -0.13 -4.76 0.00 0.00 0.01 0.00 0.00 72.50 67.63 3gdg s THR 158 CO 0.01 -1.57 0.00 0.00 -0.69 0.00 0.00 174.62 172.37 3gdg n ALA 159 N 8.30 0.00 0.00 7.40 0.00 0.41 -4.66 120.51 131.96 3gdg n ALA 159 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 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 0.26 0.00 2.88 -1.21 -4.50 113.62 111.05 3gdg n SER 160 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 3gdg n SER 160 Cb 0.00 0.00 0.70 0.00 -0.75 0.00 0.00 64.21 64.16 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 -1.48 -1.54 114.93 110.45 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 0.13 0.15 0.43 -0.00 0.00 0.00 176.91 177.62 3gdg n SER 162 N -3.55 0.21 -0.14 -0.10 7.64 -1.26 0.22 113.62 116.64 3gdg n SER 162 Ca -0.01 0.51 0.12 0.00 1.01 0.00 0.00 58.87 60.49 3gdg n SER 162 Cb 0.27 -0.51 0.23 0.00 -1.01 0.00 0.00 64.21 63.20 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 -1.33 -0.87 0.09 0.23 0.00 -0.58 -4.07 105.19 98.65 3gdg n GLY 163 Ca -0.01 -0.43 -0.11 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 -1.05 0.00 -4.23 1.61 8.25 0.58 -4.25 115.22 116.13 3gdg n HIS 164 Ca 0.08 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.39 3gdg n HIS 164 Cb 0.35 -0.76 -0.09 0.00 1.12 0.00 0.00 29.99 30.61 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 -2.38 0.00 -0.27 1.59 -4.36 -0.24 -5.14 121.20 110.40 3gdg s ILE 165 Ca -0.17 -1.98 -0.07 0.00 -0.26 0.00 0.00 60.65 58.17 3gdg s ILE 165 Cb 0.06 -2.50 -0.01 0.00 1.25 0.00 0.00 42.46 41.26 3gdg s ILE 165 CO 0.54 0.00 0.08 0.00 0.24 0.00 0.00 174.94 175.80 3gdg s ALA 166 N -3.83 3.12 0.59 2.27 0.00 -1.26 -4.30 121.76 118.34 3gdg s ALA 166 Ca 0.39 -1.26 -0.19 0.00 0.00 0.00 0.00 51.96 50.90 3gdg s ALA 166 Cb 0.05 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 3gdg s ALA 166 CO 0.19 -0.67 1.10 0.09 0.00 0.00 0.00 175.76 176.47 3gdg n ASN 167 N 4.91 1.41 -3.96 0.00 4.13 -1.26 -5.03 115.26 115.45 3gdg n ASN 167 Ca -0.16 0.86 -0.17 0.00 1.68 0.00 0.00 54.58 56.79 3gdg n ASN 167 Cb 0.50 -1.45 -0.15 0.00 -1.54 0.00 0.00 39.78 37.14 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 -1.43 0.57 -2.66 3.10 2.19 -1.26 -4.41 117.98 114.08 3gdg s PHE 168 Ca 0.75 -0.11 0.27 0.00 0.33 0.00 0.00 56.93 58.17 3gdg s PHE 168 Cb -0.42 -0.40 0.75 0.00 -1.31 0.00 0.00 43.02 41.65 3gdg s PHE 168 CO 0.47 -0.03 1.58 -0.35 1.83 0.00 0.00 175.22 178.71 3gdg n PRO 169 N 3.10 1.88 -2.23 10.12 -0.04 -1.26 -4.84 135.00 141.72 3gdg n PRO 169 Ca -0.15 -1.28 -0.36 0.00 -0.04 0.00 0.00 63.50 61.66 3gdg n PRO 169 Cb 0.57 -1.47 -0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 -2.01 3.55 -0.24 0.54 1.11 -1.26 -5.01 119.66 116.34 3gdg s GLN 170 Ca 0.34 1.73 -0.06 0.00 0.01 0.00 0.00 55.36 57.38 3gdg s GLN 170 Cb 0.21 -2.23 -0.02 0.00 -1.01 0.00 0.00 33.01 29.95 3gdg s GLN 170 CO 0.33 -0.71 0.03 -1.21 0.01 0.00 0.00 175.29 173.74 3gdg s GLU 171 N -2.95 3.58 -0.36 2.91 0.41 -1.26 -4.69 118.70 116.33 3gdg s GLU 171 Ca 0.68 -0.52 0.14 0.00 -0.41 0.00 0.00 54.97 54.85 3gdg s GLU 171 Cb -0.27 -3.22 0.42 0.00 -1.78 0.00 0.00 34.13 29.28 3gdg s GLU 171 CO 0.32 -0.17 1.11 0.00 -0.49 0.00 0.00 175.26 176.02 3gdg n GLN 172 N 4.83 1.15 -0.34 1.61 10.64 -1.25 -2.18 117.38 131.84 3gdg n GLN 172 Ca -0.17 -2.63 0.09 0.00 -1.83 0.00 0.00 57.00 52.46 3gdg n GLN 172 Cb 0.51 -0.78 0.26 0.00 -0.86 0.00 0.00 30.24 29.37 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 2.49 0.81 -0.46 -0.39 2.02 -1.93 -1.06 112.91 114.39 3gdg h THR 173 Ca -0.16 -0.28 0.06 0.00 0.77 0.00 0.00 66.41 66.80 3gdg h THR 173 Cb 1.21 -0.09 -0.05 0.00 -1.74 0.00 0.00 68.15 67.48 3gdg h THR 173 CO 0.26 0.15 0.17 0.77 0.37 0.00 0.00 175.52 177.24 3gdg h SER 174 N 0.82 0.18 0.35 4.18 4.64 -1.94 0.34 113.55 122.13 3gdg h SER 174 Ca 0.51 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.87 3gdg h SER 174 Cb 0.65 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3gdg h SER 174 CO -0.32 0.14 -0.17 0.22 -0.87 0.00 0.00 176.83 175.82 3gdg h TYR 175 N 0.34 -0.44 -0.36 4.77 3.20 -1.71 0.81 116.97 123.58 3gdg h TYR 175 Ca 0.22 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.15 3gdg h TYR 175 Cb 0.21 0.15 -0.08 0.00 1.54 0.00 0.00 36.73 38.55 3gdg h TYR 175 CO -0.15 -0.20 -0.15 -0.91 -1.64 0.00 0.00 178.16 175.11 3gdg h ASN 176 N -0.61 -0.52 -0.10 -2.11 2.35 -0.85 0.50 115.58 114.24 3gdg h ASN 176 Ca -0.05 0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3gdg h ASN 176 Cb 0.44 0.30 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 3gdg h ASN 176 CO 0.08 -0.19 -0.02 0.58 -1.65 0.00 0.00 177.43 176.23 3gdg h VAL 177 N -0.09 0.91 -0.76 2.81 2.07 -0.15 -0.56 116.25 120.48 3gdg h VAL 177 Ca 0.18 -0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.75 3gdg h VAL 177 Cb 0.36 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 3gdg h VAL 177 CO -0.42 0.00 0.46 0.00 0.02 0.00 0.00 177.57 177.63 3gdg h ALA 178 N 1.10 1.02 -0.79 1.67 0.00 -0.39 -0.16 119.26 121.70 3gdg h ALA 178 Ca 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3gdg h ALA 178 Cb 0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3gdg h ALA 178 CO -0.10 0.19 0.41 0.87 0.00 0.00 0.00 179.25 180.62 3gdg h LYS 179 N 0.85 1.12 -0.31 0.00 1.79 -0.25 -1.23 116.57 118.54 3gdg h LYS 179 Ca 0.33 -0.14 -0.03 0.00 -2.18 0.00 0.00 60.65 58.63 3gdg h LYS 179 Cb 0.13 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 3gdg h LYS 179 CO -0.16 0.84 0.09 0.00 -1.08 0.00 0.00 179.45 179.14 3gdg h ALA 180 N 1.33 0.40 -0.96 3.86 0.00 -0.18 -1.89 119.26 121.82 3gdg h ALA 180 Ca 0.28 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.16 3gdg h ALA 180 Cb 0.07 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.65 3gdg h ALA 180 CO -0.04 0.04 0.58 0.78 0.00 0.00 0.00 179.25 180.62 3gdg h GLY 181 N 0.34 1.59 1.45 0.00 0.00 -0.25 -1.59 103.07 104.61 3gdg h GLY 181 Ca 0.10 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 3gdg h GLY 181 CO -0.00 0.09 -0.20 0.00 0.00 0.00 0.00 176.54 176.42 3gdg h ILE 183 N 0.57 1.24 0.00 0.00 2.04 -0.53 -2.78 117.51 118.05 3gdg h ILE 183 Ca 0.09 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.07 3gdg h ILE 183 Cb 0.66 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 3gdg h ILE 183 CO 0.05 0.26 -0.20 -0.74 0.00 0.00 0.00 178.15 177.53 3gdg h HIS 184 N 0.22 0.00 -0.65 1.37 2.76 -1.26 -3.01 115.15 114.58 3gdg h HIS 184 Ca 0.07 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.16 3gdg h HIS 184 Cb 0.37 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.30 3gdg h HIS 184 CO 0.03 0.20 0.07 1.98 -1.30 0.00 0.00 177.93 178.91 3gdg h MET 185 N 0.00 1.09 0.00 5.26 1.85 -0.51 -0.56 114.93 122.06 3gdg h MET 185 Ca -0.00 -0.30 -0.09 0.00 -0.61 0.00 0.00 59.70 58.70 3gdg h MET 185 Cb 0.74 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.64 3gdg h MET 185 CO 0.03 1.01 -0.42 0.00 -0.40 0.00 0.00 176.91 177.12 3gdg h ALA 186 N 1.06 1.20 0.22 0.39 0.00 -1.37 0.18 119.26 120.94 3gdg h ALA 186 Ca 0.19 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3gdg h ALA 186 Cb 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3gdg h ALA 186 CO 0.02 0.53 -0.10 0.00 0.00 0.00 0.00 179.25 179.69 3gdg h ARG 187 N 0.00 -0.28 -0.89 0.00 3.08 -1.36 -1.83 114.38 113.11 3gdg h ARG 187 Ca -0.00 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.13 3gdg h ARG 187 Cb 0.80 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.85 3gdg h ARG 187 CO 0.06 0.10 0.55 1.03 -1.07 0.00 0.00 179.97 180.64 3gdg h SER 188 N -0.80 0.88 0.77 7.04 0.87 -1.04 -2.23 113.55 119.03 3gdg h SER 188 Ca -0.03 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.44 3gdg h SER 188 Cb 0.51 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 3gdg h SER 188 CO 0.05 0.56 -0.49 -0.07 -0.53 0.00 0.00 176.83 176.35 3gdg h LEU 189 N 1.01 0.00 -1.21 2.23 3.38 -1.00 -1.35 115.31 118.36 3gdg h LEU 189 Ca 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 3gdg h LEU 189 Cb 0.17 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3gdg h LEU 189 CO -0.17 0.49 0.43 0.00 0.09 0.00 0.00 178.44 179.28 3gdg h ALA 190 N 1.51 1.41 0.10 1.53 0.00 -0.71 0.22 119.26 123.32 3gdg h ALA 190 Ca -0.00 -0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.56 3gdg h ALA 190 Cb 1.01 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.51 3gdg h ALA 190 CO 0.06 0.51 -1.16 -0.97 0.00 0.00 0.00 179.25 177.70 3gdg h ASN 191 N 0.99 0.51 -0.37 0.00 -1.24 -1.32 -2.98 115.58 111.16 3gdg h ASN 191 Ca 0.26 -0.49 -0.13 0.00 0.71 0.00 0.00 56.30 56.65 3gdg h ASN 191 Cb -0.04 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 3gdg h ASN 191 CO -0.05 1.34 -0.26 -0.08 -1.29 0.00 0.00 177.43 177.09 3gdg h GLU 192 N 0.14 0.82 -0.80 6.67 4.81 -0.62 -3.12 114.58 122.48 3gdg h GLU 192 Ca -0.13 -0.40 -0.17 0.00 -0.13 0.00 0.00 59.36 58.53 3gdg h GLU 192 Cb 1.85 -0.00 -0.10 0.00 0.63 0.00 0.00 28.75 31.12 3gdg h GLU 192 CO 0.20 1.03 0.22 0.91 -0.73 0.00 0.00 179.01 180.64 3gdg n TRP 193 N -4.20 1.99 0.31 0.92 8.01 0.70 -4.65 117.44 120.53 3gdg n TRP 193 Ca -0.02 -0.99 0.20 0.00 -1.31 0.00 0.00 57.50 55.37 3gdg n TRP 193 Cb 0.47 -0.59 1.06 0.00 -2.01 0.00 0.00 31.31 30.25 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 2.21 0.00 -0.02 -0.99 0.11 -1.46 -0.54 114.38 113.70 3gdg h ARG 194 Ca 0.21 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.29 3gdg h ARG 194 Cb 2.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.10 3gdg h ARG 194 CO 0.60 0.00 -0.12 -0.25 0.10 0.00 0.00 179.97 180.30 3gdg n ASP 195 N -3.32 1.76 0.00 0.08 10.43 -1.26 -4.67 116.55 119.57 3gdg n ASP 195 Ca -0.02 -1.46 0.00 0.00 2.57 0.00 0.00 54.79 55.88 3gdg n ASP 195 Cb 0.14 0.09 0.00 0.00 1.84 0.00 0.00 41.12 43.19 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 0.20 0.00 -3.85 1.24 -1.74 -0.68 -4.26 117.46 108.38 3gdg n PHE 196 Ca 0.15 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.95 3gdg n PHE 196 Cb 0.42 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.34 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 -0.38 -0.31 0.10 1.98 0.00 -0.30 -2.03 121.76 120.82 3gdg s ALA 197 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.54 3gdg s ALA 197 Cb 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 3gdg s ALA 197 CO 0.00 -0.44 0.17 1.03 0.00 0.00 0.00 175.76 176.52 3gdg s ARG 198 N -3.23 3.16 -0.04 0.00 0.52 -0.63 -4.41 118.95 114.31 3gdg s ARG 198 Ca 0.00 -0.63 -0.02 0.00 -0.52 0.00 0.00 55.73 54.56 3gdg s ARG 198 Cb 0.02 -2.85 0.03 0.00 0.52 0.00 0.00 34.95 32.67 3gdg s ARG 198 CO -0.08 0.56 0.04 0.08 0.02 0.00 0.00 175.30 175.92 3gdg s VAL 199 N -1.56 0.00 0.19 3.52 1.01 -1.26 -1.10 120.40 121.21 3gdg s VAL 199 Ca 0.32 0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.65 3gdg s VAL 199 Cb -0.12 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 3gdg s VAL 199 CO 0.25 0.19 0.02 0.20 0.00 0.00 0.00 175.10 175.76 3gdg s ASN 200 N 1.97 1.22 0.03 3.32 0.01 -0.82 0.13 114.94 120.80 3gdg s ASN 200 Ca 0.03 -1.22 0.01 0.00 -0.71 0.00 0.00 52.86 50.97 3gdg s ASN 200 Cb -0.12 0.13 -0.02 0.00 0.41 0.00 0.00 41.25 41.64 3gdg s ASN 200 CO -0.03 -0.60 -0.05 -0.94 -1.51 0.00 0.00 177.10 173.96 3gdg s SER 201 N -3.21 0.52 -0.13 -1.22 1.04 -0.14 -1.37 113.70 109.20 3gdg s SER 201 Ca 0.27 -0.56 -0.01 0.00 0.48 0.00 0.00 55.95 56.13 3gdg s SER 201 Cb 0.06 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.24 3gdg s SER 201 CO 0.06 -0.28 -0.10 -0.63 0.98 0.00 0.00 173.24 173.27 3gdg s ILE 202 N -1.62 3.33 -0.76 -1.02 1.01 -0.13 -0.78 121.20 121.22 3gdg s ILE 202 Ca -0.12 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 59.99 3gdg s ILE 202 Cb -0.09 -2.41 0.18 0.00 0.01 0.00 0.00 42.46 40.16 3gdg s ILE 202 CO -0.01 0.53 0.58 -0.44 0.00 0.00 0.00 174.94 175.60 3gdg s SER 203 N 0.19 5.20 0.50 3.58 0.01 -0.73 0.15 113.70 122.59 3gdg s SER 203 Ca -0.06 -3.81 -0.20 0.00 1.31 0.00 0.00 55.95 53.19 3gdg s SER 203 Cb -0.15 -1.72 -0.08 0.00 0.21 0.00 0.00 66.02 64.28 3gdg s SER 203 CO 0.04 -0.12 1.04 -2.16 0.41 0.00 0.00 173.24 172.46 3gdg s PRO 204 N -1.42 3.76 0.00 12.44 0.04 -1.26 -2.19 135.00 146.37 3gdg s PRO 204 Ca 0.26 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.64 3gdg s PRO 204 Cb -0.06 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3gdg s PRO 204 CO -0.15 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 176.83 3gdg n GLY 205 N -0.32 1.04 3.58 0.56 0.00 0.86 -1.89 105.19 109.03 3gdg n GLY 205 Ca 0.09 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 2.24 2.36 -0.23 1.61 2.02 -1.26 -4.88 117.35 119.21 3gdg s TYR 206 Ca 0.00 0.43 -0.04 0.00 -0.37 0.00 0.00 57.07 57.08 3gdg s TYR 206 Cb 0.00 -4.44 -0.01 0.00 -0.40 0.00 0.00 41.96 37.11 3gdg s TYR 206 CO 0.00 -1.89 -0.03 0.42 -1.57 0.00 0.00 175.55 172.49 3gdg s ILE 207 N 5.77 3.46 -1.15 2.71 -1.09 -1.26 -0.15 121.20 129.49 3gdg s ILE 207 Ca 0.49 -0.52 -0.24 0.00 -2.23 0.00 0.00 60.65 58.15 3gdg s ILE 207 Cb -0.10 -2.61 -0.14 0.00 -1.58 0.00 0.00 42.46 38.03 3gdg s ILE 207 CO 0.24 0.37 2.01 -0.62 -1.23 0.00 0.00 174.94 175.72 3gdg s ASP 208 N 1.48 4.37 0.01 3.58 -1.08 0.03 -4.68 116.67 120.38 3gdg s ASP 208 Ca 0.05 -1.39 0.29 0.00 -0.52 0.00 0.00 52.55 50.98 3gdg s ASP 208 Cb -0.15 -2.59 1.17 0.00 -1.46 0.00 0.00 42.92 39.89 3gdg s ASP 208 CO -0.02 -3.77 1.89 0.35 0.52 0.00 0.00 175.17 174.13 3gdg n THR 209 N 8.31 0.03 0.00 1.71 -2.24 -1.26 -4.58 114.28 116.25 3gdg n THR 209 Ca 0.43 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 62.20 3gdg n THR 209 Cb 0.47 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 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 1.49 1.76 1.82 3.38 0.00 -1.26 -4.22 105.19 108.16 3gdg n GLY 210 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 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 0.89 0.17 0.99 4.77 -1.26 -4.84 117.00 117.71 3gdg n LEU 211 Ca 0.00 -2.29 0.13 0.00 -0.03 0.00 0.00 56.01 53.82 3gdg n LEU 211 Cb 0.00 0.12 0.33 0.00 -2.33 0.00 0.00 43.42 41.54 3gdg n LEU 211 CO 0.00 0.76 0.86 0.77 -1.33 0.00 0.00 177.39 178.44 3gdg h SER 212 N 1.31 0.00 0.23 -1.43 4.64 -1.97 -3.16 113.55 113.17 3gdg h SER 212 Ca -0.24 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.00 3gdg h SER 212 Cb 1.68 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.76 3gdg h SER 212 CO 0.08 0.00 -0.31 0.44 -0.87 0.00 0.00 176.83 176.17 3gdg h ASP 213 N 0.00 0.13 -0.06 4.97 3.32 -2.00 -2.88 116.42 119.90 3gdg h ASP 213 Ca 0.00 -0.04 -0.22 0.00 0.02 0.00 0.00 57.03 56.78 3gdg h ASP 213 Cb 0.82 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.34 3gdg h ASP 213 CO 0.00 0.45 -0.80 -0.26 -1.72 0.00 0.00 179.24 176.90 3gdg h PHE 214 N 0.12 0.99 -3.02 4.55 -1.00 -1.95 -3.44 116.94 113.20 3gdg h PHE 214 Ca 0.02 -0.45 -0.54 0.00 2.81 0.00 0.00 57.97 59.80 3gdg h PHE 214 Cb 0.61 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 3gdg h PHE 214 CO 0.01 1.27 0.74 0.08 -1.61 0.00 0.00 178.31 178.79 3gdg s VAL 215 N -3.68 3.93 0.42 -0.55 1.01 -1.09 -4.97 120.40 115.47 3gdg s VAL 215 Ca -0.09 1.31 -0.25 0.00 0.00 0.00 0.00 61.98 62.95 3gdg s VAL 215 Cb 0.09 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.52 3gdg s VAL 215 CO 0.90 0.02 1.07 -2.65 0.00 0.00 0.00 175.10 174.44 3gdg n PRO 216 N 5.00 1.48 -0.36 2.72 -0.02 -1.26 -4.79 135.00 137.76 3gdg n PRO 216 Ca 0.12 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3gdg n PRO 216 Cb 0.45 -2.11 0.15 0.00 -0.02 0.00 0.00 33.50 31.96 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 1.67 1.23 -0.45 -0.52 1.57 -1.93 -1.10 116.57 117.04 3gdg h LYS 217 Ca -0.45 -0.07 0.06 0.00 -1.87 0.00 0.00 60.65 58.31 3gdg h LYS 217 Cb 1.33 -0.28 -0.05 0.00 0.08 0.00 0.00 32.23 33.31 3gdg h LYS 217 CO 0.58 0.81 0.16 0.93 -0.57 0.00 0.00 179.45 181.36 3gdg h GLU 218 N 1.26 0.33 -0.36 3.15 5.08 -1.99 0.53 114.58 122.58 3gdg h GLU 218 Ca 0.39 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.65 3gdg h GLU 218 Cb -0.02 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3gdg h GLU 218 CO -0.12 0.22 -0.11 1.15 -1.00 0.00 0.00 179.01 179.15 3gdg h THR 219 N 0.34 1.24 0.00 1.13 2.02 -1.72 -2.34 112.91 113.58 3gdg h THR 219 Ca 0.21 -1.08 -0.09 0.00 0.77 0.00 0.00 66.41 66.21 3gdg h THR 219 Cb 0.20 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3gdg h THR 219 CO -0.21 0.36 -0.45 1.56 0.37 0.00 0.00 175.52 177.15 3gdg h GLN 220 N 0.58 0.00 0.00 6.66 4.20 -0.22 -2.21 115.11 124.12 3gdg h GLN 220 Ca 0.10 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.69 3gdg h GLN 220 Cb 0.53 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 3gdg h GLN 220 CO 0.03 0.45 -0.57 1.96 -0.67 0.00 0.00 178.83 180.03 3gdg h GLN 221 N 0.00 0.00 -0.15 1.46 4.20 -0.64 -2.40 115.11 117.57 3gdg h GLN 221 Ca -0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 3gdg h GLN 221 Cb 0.89 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.68 3gdg h GLN 221 CO 0.06 0.57 -0.76 1.25 -0.67 0.00 0.00 178.83 179.28 3gdg h LEU 222 N 0.00 0.93 0.10 1.46 6.46 -1.01 -2.74 115.31 120.52 3gdg h LEU 222 Ca -0.01 -0.63 -0.01 0.00 -0.12 0.00 0.00 57.88 57.12 3gdg h LEU 222 Cb 1.33 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.99 3gdg h LEU 222 CO 0.07 1.41 -0.05 -0.50 -0.62 0.00 0.00 178.44 178.76 3gdg h TRP 223 N 0.52 -0.13 -0.89 1.25 6.55 -1.42 -2.93 115.95 118.90 3gdg h TRP 223 Ca -0.05 -0.00 0.23 0.00 0.95 0.00 0.00 58.89 60.02 3gdg h TRP 223 Cb 1.40 0.04 -0.05 0.00 -0.86 0.00 0.00 29.16 29.69 3gdg h TRP 223 CO 0.09 0.16 0.62 0.45 -1.05 0.00 0.00 178.44 178.70 3gdg h HIS 224 N -0.41 0.24 0.00 0.49 3.86 -1.47 0.19 115.15 118.06 3gdg h HIS 224 Ca -0.01 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3gdg h HIS 224 Cb 0.34 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3gdg h HIS 224 CO 0.02 0.06 0.00 -1.13 0.86 0.00 0.00 177.93 177.73 3gdg n SER 225 N -4.39 0.50 -0.94 2.45 3.41 -1.03 -3.05 113.62 110.57 3gdg n SER 225 Ca 0.19 0.55 0.11 0.00 -0.26 0.00 0.00 58.87 59.46 3gdg n SER 225 Cb 0.84 -0.68 0.12 0.00 -0.26 0.00 0.00 64.21 64.23 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 -1.96 2.17 -3.85 4.33 2.00 0.64 -4.83 117.12 115.61 3gdg n MET 226 Ca 0.06 -1.92 -0.36 0.00 0.00 0.00 0.00 57.70 55.49 3gdg n MET 226 Cb 0.39 -1.44 -0.13 0.00 0.00 0.00 0.00 33.22 32.04 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 -1.76 3.65 0.56 2.02 1.01 -0.98 -4.62 121.20 121.08 3gdg s ILE 227 Ca 0.28 -0.50 0.25 0.00 0.00 0.00 0.00 60.65 60.68 3gdg s ILE 227 Cb 0.19 -2.73 0.34 0.00 0.01 0.00 0.00 42.46 40.27 3gdg s ILE 227 CO 0.28 0.32 2.13 1.55 0.00 0.00 0.00 174.94 179.22 3gdg h PRO 228 N 8.15 0.00 0.00 2.79 0.13 -1.73 0.77 132.00 142.11 3gdg h PRO 228 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3gdg h PRO 228 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3gdg h PRO 228 CO 0.60 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 177.04 3gdg n MET 229 N -4.11 0.17 -2.27 0.86 2.81 -1.06 -4.92 117.12 108.60 3gdg n MET 229 Ca 0.01 0.24 -0.21 0.00 -1.81 0.00 0.00 57.70 55.93 3gdg n MET 229 Cb 0.26 -1.74 -0.02 0.00 -0.71 0.00 0.00 33.22 31.01 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 0.85 -0.08 3.75 3.03 0.00 0.27 -4.96 105.19 108.05 3gdg n GLY 230 Ca 0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.83 1.67 0.70 1.61 1.70 -1.26 -4.88 118.95 113.66 3gdg s ARG 231 Ca 0.00 -0.95 -0.11 0.00 -0.47 0.00 0.00 55.73 54.19 3gdg s ARG 231 Cb 0.00 0.58 0.01 0.00 -0.57 0.00 0.00 34.95 34.97 3gdg s ARG 231 CO 0.00 -0.75 1.08 -0.51 -1.08 0.00 0.00 175.30 174.04 3gdg s ASP 232 N -2.91 5.48 0.53 -2.89 1.01 -1.26 -4.95 116.67 111.68 3gdg s ASP 232 Ca 0.11 1.26 0.04 0.00 0.71 0.00 0.00 52.55 54.67 3gdg s ASP 232 Cb -0.04 -2.12 0.04 0.00 1.01 0.00 0.00 42.92 41.81 3gdg s ASP 232 CO 0.04 -1.33 0.74 -0.83 0.21 0.00 0.00 175.17 174.00 3gdg s GLY 233 N -4.20 1.85 -0.00 0.21 0.00 0.79 -4.87 107.32 101.10 3gdg s GLY 233 Ca 0.58 -1.54 0.07 0.00 0.00 0.00 0.00 44.72 43.82 3gdg s GLY 233 CO 0.53 -1.24 -0.20 1.08 0.00 0.00 0.00 173.10 173.26 3gdg s LEU 234 N -4.67 2.07 0.65 0.66 1.43 -1.26 -0.79 118.68 116.76 3gdg s LEU 234 Ca 0.58 -0.41 0.26 0.00 -1.03 0.00 0.00 54.13 53.53 3gdg s LEU 234 Cb -0.09 -1.03 1.35 0.00 0.03 0.00 0.00 46.19 46.45 3gdg s LEU 234 CO 0.37 0.23 1.77 0.00 0.23 0.00 0.00 176.35 178.95 3gdg h ALA 235 N 5.44 1.66 0.00 4.21 0.00 -1.91 0.88 119.26 129.53 3gdg h ALA 235 Ca -0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3gdg h ALA 235 Cb 1.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3gdg h ALA 235 CO 0.47 -0.55 0.00 1.57 0.00 0.00 0.00 179.25 180.73 3gdg h LYS 236 N 0.00 0.00 -0.00 0.00 2.10 -1.94 -1.84 116.57 114.89 3gdg h LYS 236 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 3gdg h LYS 236 Cb 1.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 3gdg h LYS 236 CO -0.00 0.00 -0.11 0.39 -2.00 0.00 0.00 179.45 177.73 3gdg n GLU 237 N -2.43 0.62 -0.07 0.07 1.02 0.31 -3.79 120.64 116.36 3gdg n GLU 237 Ca 0.02 -0.20 -0.11 0.00 -0.02 0.00 0.00 57.16 56.85 3gdg n GLU 237 Cb 0.28 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.06 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 0.83 0.13 -4.62 4.77 -0.69 -4.41 117.00 112.00 3gdg n LEU 238 Ca 0.14 0.12 0.17 0.00 -0.03 0.00 0.00 56.01 56.41 3gdg n LEU 238 Cb 0.28 0.10 0.74 0.00 -2.33 0.00 0.00 43.42 42.22 3gdg n LEU 238 CO 0.24 0.55 1.15 0.07 -1.33 0.00 0.00 177.39 178.07 3gdg h LYS 239 N 0.01 0.00 -0.08 3.23 2.10 -1.65 -1.74 116.57 118.44 3gdg h LYS 239 Ca -0.47 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3gdg h LYS 239 Cb 2.12 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.45 3gdg h LYS 239 CO 0.03 0.00 0.04 0.78 -2.00 0.00 0.00 179.45 178.30 3gdg h GLY 240 N 0.00 0.13 1.25 0.07 0.00 -1.78 -2.67 103.07 100.07 3gdg h GLY 240 Ca 0.14 -0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.32 3gdg h GLY 240 CO -0.00 0.07 0.03 0.00 0.00 0.00 0.00 176.54 176.63 3gdg h ALA 241 N 0.89 1.02 0.16 3.60 0.00 -1.61 -2.55 119.26 120.77 3gdg h ALA 241 Ca 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3gdg h ALA 241 Cb 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3gdg h ALA 241 CO -0.00 0.61 -0.08 1.88 0.00 0.00 0.00 179.25 181.66 3gdg h TYR 242 N 0.85 -0.20 0.00 0.00 -1.99 -1.25 -2.43 116.97 111.96 3gdg h TYR 242 Ca 0.16 -0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.83 3gdg h TYR 242 Cb 0.46 0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.25 3gdg h TYR 242 CO 0.03 -0.10 -0.29 0.28 -0.00 0.00 0.00 178.16 178.08 3gdg h VAL 243 N -0.23 0.85 0.71 -2.88 2.07 -1.51 -2.48 116.25 112.77 3gdg h VAL 243 Ca -0.02 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 3gdg h VAL 243 Cb 0.18 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3gdg h VAL 243 CO 0.04 0.28 -0.49 0.22 0.02 0.00 0.00 177.57 177.64 3gdg h TYR 244 N 0.00 -1.31 -0.07 1.57 3.20 -1.00 -0.88 116.97 118.48 3gdg h TYR 244 Ca -0.00 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 3gdg h TYR 244 Cb 0.67 0.48 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 3gdg h TYR 244 CO 0.00 -0.70 -0.30 0.74 -1.64 0.00 0.00 178.16 176.26 3gdg h PHE 245 N -1.13 0.15 0.00 -3.82 0.04 -1.43 -3.18 116.94 107.56 3gdg h PHE 245 Ca -0.09 -0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.60 3gdg h PHE 245 Cb 0.92 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.03 3gdg h PHE 245 CO -0.14 0.43 -0.38 0.00 -0.60 0.00 0.00 178.31 177.62 3gdg h ALA 246 N 1.57 0.81 -1.35 2.45 0.00 -1.34 -3.47 119.26 117.93 3gdg h ALA 246 Ca 0.02 -0.22 -0.44 0.00 0.00 0.00 0.00 54.91 54.27 3gdg h ALA 246 Cb 0.60 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.41 3gdg h ALA 246 CO 0.04 0.29 -0.19 -1.54 0.00 0.00 0.00 179.25 177.85 3gdg s SER 247 N -6.19 5.46 0.00 0.00 1.04 -0.34 -4.76 113.70 108.91 3gdg s SER 247 Ca 0.04 -0.46 0.06 0.00 0.48 0.00 0.00 55.95 56.08 3gdg s SER 247 Cb 0.07 -0.47 0.35 0.00 0.10 0.00 0.00 66.02 66.07 3gdg s SER 247 CO 0.72 -0.96 0.79 0.47 0.98 0.00 0.00 173.24 175.24 3gdg n ASP 248 N -2.02 0.00 0.00 7.02 9.92 0.18 -2.85 116.55 128.80 3gdg n ASP 248 Ca 0.10 -0.71 0.10 0.00 -0.53 0.00 0.00 54.79 53.76 3gdg n ASP 248 Cb 0.60 0.00 0.52 0.00 -0.64 0.00 0.00 41.12 41.60 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 -0.71 2.08 -2.73 2.24 0.00 -1.09 -3.59 120.51 116.70 3gdg n ALA 249 Ca 0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.35 3gdg n ALA 249 Cb 0.02 -1.34 0.04 0.00 0.00 0.00 0.00 19.45 18.17 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 -1.32 1.90 0.00 0.00 3.41 -1.13 -4.93 113.62 111.55 3gdg n SER 250 Ca 0.09 -2.30 0.03 0.00 -0.26 0.00 0.00 58.87 56.43 3gdg n SER 250 Cb 0.18 -0.47 0.16 0.00 -0.26 0.00 0.00 64.21 63.81 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 -0.53 1.02 -0.01 6.66 -2.24 -1.24 -1.09 114.28 116.85 3gdg n THR 251 Ca 0.11 0.26 0.02 0.00 -2.27 0.00 0.00 64.05 62.16 3gdg n THR 251 Cb 0.82 -1.15 0.04 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.32 0.11 -3.67 4.78 9.36 -1.26 -4.74 117.16 120.42 3gdg n TYR 252 Ca 0.03 -0.40 -0.39 0.00 3.32 0.00 0.00 57.90 60.46 3gdg n TYR 252 Cb 0.05 -0.03 -0.12 0.00 -0.63 0.00 0.00 39.34 38.61 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 -0.85 4.43 -0.21 2.97 -4.23 -0.25 -5.05 115.64 112.46 3gdg s THR 253 Ca 0.06 -0.61 -0.17 0.00 -1.18 0.00 0.00 61.69 59.80 3gdg s THR 253 Cb 0.03 -3.32 0.06 0.00 1.34 0.00 0.00 72.50 70.61 3gdg s THR 253 CO 0.04 -0.01 0.54 0.28 -0.54 0.00 0.00 174.62 174.94 3gdg s THR 254 N 1.57 -0.00 0.00 3.99 -1.32 -1.26 -4.67 115.64 113.94 3gdg s THR 254 Ca 0.03 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 3gdg s THR 254 Cb -0.18 -0.77 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 3gdg s THR 254 CO 0.05 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.08 3gdg n GLY 255 N 3.27 0.52 3.48 6.08 0.00 0.35 -4.93 105.19 113.96 3gdg n GLY 255 Ca -0.16 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 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 2.70 -0.04 4.61 0.00 -1.26 -4.68 121.76 121.09 3gdg s ALA 256 Ca 0.00 -1.96 0.06 0.00 0.00 0.00 0.00 51.96 50.06 3gdg s ALA 256 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 3gdg s ALA 256 CO 0.00 0.11 -0.21 0.34 0.00 0.00 0.00 175.76 176.00 3gdg s ASP 257 N -3.52 2.59 -0.31 0.00 -1.08 -1.26 -0.97 116.67 112.12 3gdg s ASP 257 Ca 0.30 -0.42 -0.02 0.00 -0.52 0.00 0.00 52.55 51.90 3gdg s ASP 257 Cb 0.00 -0.61 0.06 0.00 -1.46 0.00 0.00 42.92 40.91 3gdg s ASP 257 CO 0.14 0.22 0.01 -0.22 0.52 0.00 0.00 175.17 175.84 3gdg s LEU 258 N -0.18 4.01 0.00 -1.34 2.96 0.04 -4.97 118.68 119.21 3gdg s LEU 258 Ca -0.01 -1.36 -0.30 0.00 -0.22 0.00 0.00 54.13 52.24 3gdg s LEU 258 Cb -0.12 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 3gdg s LEU 258 CO 0.02 -0.28 1.19 -0.76 -1.32 0.00 0.00 176.35 175.20 3gdg s LEU 259 N 1.23 4.33 -0.52 -0.68 1.43 -1.26 -1.78 118.68 121.42 3gdg s LEU 259 Ca -0.04 1.91 0.05 0.00 -1.03 0.00 0.00 54.13 55.02 3gdg s LEU 259 Cb -0.20 -3.57 0.20 0.00 0.03 0.00 0.00 46.19 42.65 3gdg s LEU 259 CO -0.02 -0.52 0.47 -0.38 0.23 0.00 0.00 176.35 176.14 3gdg n ILE 260 N 4.26 0.17 -0.41 -0.59 2.08 -0.93 -4.92 119.36 119.03 3gdg n ILE 260 Ca 0.10 -4.19 0.00 0.00 0.56 0.00 0.00 62.75 59.22 3gdg n ILE 260 Cb 0.46 -1.92 0.00 0.00 -0.75 0.00 0.00 39.64 37.43 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 2.06 1.08 -1.09 4.38 5.75 -1.26 -0.10 116.55 127.36 3gdg n ASP 261 Ca 0.25 -1.49 -0.11 0.00 -0.01 0.00 0.00 54.79 53.44 3gdg n ASP 261 Cb 0.44 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.51 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 -0.24 0.41 2.13 6.12 0.00 -1.26 -2.36 105.19 109.99 3gdg n GLY 262 Ca 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.25 0.58 0.29 -0.02 0.00 -1.26 -2.57 105.19 100.95 3gdg n GLY 263 Ca -0.12 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.67 0.00 1.61 5.03 -1.72 -1.76 116.97 119.46 3gdg h TYR 264 Ca -0.05 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.27 3gdg h TYR 264 Cb 0.22 0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.77 3gdg h TYR 264 CO 0.11 -0.36 0.00 0.25 -1.32 0.00 0.00 178.16 176.83 3gdg n THR 265 N -5.37 1.29 0.24 1.81 -2.24 -1.26 -2.61 114.28 106.13 3gdg n THR 265 Ca -0.08 0.36 0.07 0.00 -2.27 0.00 0.00 64.05 62.14 3gdg n THR 265 Cb 0.28 -1.23 0.57 0.00 -2.10 0.00 0.00 70.33 67.85 3gdg n THR 265 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3gdg h THR 266 N 0.00 1.01 -0.02 4.28 2.02 -1.71 -3.53 112.91 114.96 3gdg h THR 266 Ca 0.00 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3gdg h THR 266 Cb 0.17 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 3gdg h THR 266 CO 0.00 0.14 0.00 0.54 0.37 0.00 0.00 175.52 176.57