#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gr9 n GLY 0 N 0.00 3.17 3.74 -0.13 0.00 -1.26 -5.08 105.19 105.63 2gr9 n GLY 0 Ca 0.00 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 2gr9 n GLY 0 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2gr9 s MET 1 N -1.72 2.64 -0.00 1.61 0.00 -1.26 -5.05 119.30 115.52 2gr9 s MET 1 Ca 0.30 1.77 0.02 0.00 0.00 0.00 0.00 55.69 57.78 2gr9 s MET 1 Cb 0.30 -1.89 -0.01 0.00 0.00 0.00 0.00 34.83 33.23 2gr9 s MET 1 CO -0.07 -1.45 -0.06 -1.12 0.00 0.00 0.00 175.02 172.32 2gr9 s SER 2 N -1.85 0.75 0.08 1.11 0.01 -1.26 -4.99 113.70 107.56 2gr9 s SER 2 Ca 0.75 -0.13 0.09 0.00 1.31 0.00 0.00 55.95 57.98 2gr9 s SER 2 Cb -0.29 -0.08 -0.03 0.00 0.21 0.00 0.00 66.02 65.82 2gr9 s SER 2 CO 0.39 0.07 -0.24 -0.69 0.41 0.00 0.00 173.24 173.17 2gr9 s VAL 3 N -0.18 1.99 0.01 3.43 1.01 -1.17 -1.49 120.40 124.00 2gr9 s VAL 3 Ca 0.02 -1.50 0.01 0.00 0.00 0.00 0.00 61.98 60.52 2gr9 s VAL 3 Cb -0.03 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 2gr9 s VAL 3 CO -0.00 0.16 -0.05 -0.83 0.00 0.00 0.00 175.10 174.38 2gr9 s GLY 4 N -1.62 0.27 -0.26 4.51 0.00 -0.92 -1.11 107.32 108.19 2gr9 s GLY 4 Ca 0.10 -0.35 0.02 0.00 0.00 0.00 0.00 44.72 44.49 2gr9 s GLY 4 CO 0.04 -0.36 -0.10 -1.36 0.00 0.00 0.00 173.10 171.32 2gr9 s PHE 5 N -0.54 3.21 -0.49 1.90 0.40 0.50 0.52 117.98 123.49 2gr9 s PHE 5 Ca -0.03 -2.15 -0.28 0.00 -0.60 0.00 0.00 56.93 53.87 2gr9 s PHE 5 Cb -0.04 -1.96 0.03 0.00 0.51 0.00 0.00 43.02 41.55 2gr9 s PHE 5 CO -0.00 -0.85 1.07 0.42 0.70 0.00 0.00 175.22 176.55 2gr9 s ILE 6 N 1.15 4.28 0.00 0.64 1.01 0.18 -1.45 121.20 127.01 2gr9 s ILE 6 Ca -0.07 1.00 0.00 0.00 0.00 0.00 0.00 60.65 61.59 2gr9 s ILE 6 Cb -0.19 -4.56 0.00 0.00 0.01 0.00 0.00 42.46 37.72 2gr9 s ILE 6 CO -0.05 -1.00 0.00 0.61 0.00 0.00 0.00 174.94 174.50 2gr9 n GLY 7 N 4.91 0.49 0.00 6.18 0.00 -1.10 -2.14 105.19 113.53 2gr9 n GLY 7 Ca 0.09 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2gr9 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gr9 n ALA 8 N 2.23 0.00 0.00 4.61 0.00 -1.11 -4.58 120.51 121.67 2gr9 n ALA 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2gr9 n ALA 8 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2gr9 n ALA 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gr9 n GLY 9 N 4.58 0.04 0.00 0.00 0.00 -1.26 -4.04 105.19 104.51 2gr9 n GLY 9 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 2gr9 n GLY 9 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gr9 n GLN 10 N -0.09 0.00 -0.60 1.61 3.00 -1.26 -1.60 117.38 118.44 2gr9 n GLN 10 Ca 0.00 0.32 0.48 0.00 -0.01 0.00 0.00 57.00 57.79 2gr9 n GLN 10 Cb 0.00 -1.11 0.80 0.00 0.00 0.00 0.00 30.24 29.93 2gr9 n GLN 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2gr9 h LEU 11 N 0.00 0.02 0.44 1.08 5.85 -1.96 0.26 115.31 121.00 2gr9 h LEU 11 Ca 0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2gr9 h LEU 11 Cb 0.00 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2gr9 h LEU 11 CO 0.00 -0.01 -0.21 0.00 -0.34 0.00 0.00 178.44 177.88 2gr9 h ALA 12 N 1.15 -0.90 -0.80 1.25 0.00 -1.59 -2.20 119.26 116.16 2gr9 h ALA 12 Ca 0.84 -0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.79 2gr9 h ALA 12 Cb 3.32 0.23 -0.11 0.00 0.00 0.00 0.00 17.79 21.23 2gr9 h ALA 12 CO -0.04 -0.86 0.31 0.35 0.00 0.00 0.00 179.25 179.01 2gr9 h PHE 13 N -0.74 0.53 0.02 0.00 3.57 0.40 1.66 116.94 122.37 2gr9 h PHE 13 Ca -0.06 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2gr9 h PHE 13 Cb 0.45 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 2gr9 h PHE 13 CO 0.07 0.02 -0.08 0.00 -2.23 0.00 0.00 178.31 176.09 2gr9 h ALA 14 N 1.61 -0.62 -0.78 2.41 0.00 -0.94 0.84 119.26 121.77 2gr9 h ALA 14 Ca 0.46 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.40 2gr9 h ALA 14 Cb 0.76 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 2gr9 h ALA 14 CO -0.46 -0.64 0.51 -0.07 0.00 0.00 0.00 179.25 178.60 2gr9 h LEU 15 N -0.11 0.80 -0.70 0.00 3.38 -0.88 0.13 115.31 117.92 2gr9 h LEU 15 Ca -0.00 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.07 2gr9 h LEU 15 Cb 0.11 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 2gr9 h LEU 15 CO -0.04 0.54 0.33 0.00 0.09 0.00 0.00 178.44 179.35 2gr9 h ALA 16 N 1.56 0.97 0.03 1.53 0.00 0.33 -1.79 119.26 121.89 2gr9 h ALA 16 Ca 0.32 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.20 2gr9 h ALA 16 Cb 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2gr9 h ALA 16 CO -0.10 -0.10 -0.47 -0.22 0.00 0.00 0.00 179.25 178.36 2gr9 h LYS 17 N 0.55 0.07 -0.70 0.00 3.64 0.17 -3.16 116.57 117.13 2gr9 h LYS 17 Ca 0.36 -0.13 0.12 0.00 -1.27 0.00 0.00 60.65 59.73 2gr9 h LYS 17 Cb 0.42 0.05 -0.13 0.00 -0.41 0.00 0.00 32.23 32.16 2gr9 h LYS 17 CO -0.30 1.06 -0.32 0.78 -2.27 0.00 0.00 179.45 178.40 2gr9 h GLY 18 N -0.80 0.04 0.81 5.01 0.00 -0.65 0.53 103.07 108.01 2gr9 h GLY 18 Ca -0.11 0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.67 2gr9 h GLY 18 CO -0.00 -0.22 0.19 0.74 0.00 0.00 0.00 176.54 177.25 2gr9 h PHE 19 N -0.10 0.35 0.21 5.60 0.05 -1.49 0.99 116.94 122.56 2gr9 h PHE 19 Ca 0.28 0.02 0.00 0.00 3.82 0.00 0.00 57.97 62.08 2gr9 h PHE 19 Cb 0.56 -0.10 -0.03 0.00 2.00 0.00 0.00 35.95 38.38 2gr9 h PHE 19 CO -0.68 0.19 -0.38 1.15 -0.18 0.00 0.00 178.31 178.40 2gr9 h THR 20 N 0.39 0.00 -0.61 -1.55 2.02 -0.47 -1.09 112.91 111.60 2gr9 h THR 20 Ca 0.16 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.40 2gr9 h THR 20 Cb 0.07 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.43 2gr9 h THR 20 CO -0.11 0.00 0.31 0.00 0.37 0.00 0.00 175.52 176.09 2gr9 h ALA 21 N -0.95 0.80 -0.08 6.16 0.00 0.10 0.44 119.26 125.74 2gr9 h ALA 21 Ca -0.02 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2gr9 h ALA 21 Cb 0.60 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2gr9 h ALA 21 CO -0.14 -0.04 0.27 0.00 0.00 0.00 0.00 179.25 179.34 2gr9 h ALA 22 N 1.34 1.43 -0.01 0.00 0.00 0.14 -3.44 119.26 118.72 2gr9 h ALA 22 Ca 0.28 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2gr9 h ALA 22 Cb 0.20 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2gr9 h ALA 22 CO -0.19 -0.31 -0.00 0.41 0.00 0.00 0.00 179.25 179.16 2gr9 n GLY 23 N -1.25 0.47 0.45 0.00 0.00 0.15 -4.96 105.19 100.06 2gr9 n GLY 23 Ca -0.01 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 2gr9 n GLY 23 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2gr9 h VAL 24 N 0.00 0.17 -1.27 1.61 2.07 -1.53 -3.46 116.25 113.84 2gr9 h VAL 24 Ca -0.00 0.00 -0.63 0.00 0.82 0.00 0.00 66.70 66.89 2gr9 h VAL 24 Cb 0.04 0.17 -0.13 0.00 -1.52 0.00 0.00 31.29 29.85 2gr9 h VAL 24 CO 0.01 0.00 -0.53 -0.76 0.02 0.00 0.00 177.57 176.31 2gr9 s LEU 25 N -10.07 2.26 0.61 2.57 1.43 -1.26 -5.07 118.68 109.15 2gr9 s LEU 25 Ca -0.18 -1.62 -0.00 0.00 -1.03 0.00 0.00 54.13 51.29 2gr9 s LEU 25 Cb 0.03 -0.55 0.06 0.00 0.03 0.00 0.00 46.19 45.76 2gr9 s LEU 25 CO 0.61 -0.83 0.85 0.00 0.23 0.00 0.00 176.35 177.22 2gr9 s ALA 26 N -2.98 3.75 0.00 4.21 0.00 -1.26 -4.61 121.76 120.87 2gr9 s ALA 26 Ca 0.15 -1.34 -0.23 0.00 0.00 0.00 0.00 51.96 50.54 2gr9 s ALA 26 Cb 0.03 -2.14 -0.18 0.00 0.00 0.00 0.00 23.12 20.83 2gr9 s ALA 26 CO 0.08 -0.97 1.26 0.00 0.00 0.00 0.00 175.76 176.13 2gr9 h ALA 27 N -0.15 0.11 0.00 0.00 0.00 -1.88 -3.08 119.26 114.26 2gr9 h ALA 27 Ca -0.41 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2gr9 h ALA 27 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2gr9 h ALA 27 CO 0.51 -0.02 0.00 -2.39 0.00 0.00 0.00 179.25 177.35 2gr9 n HIS 28 N -4.64 0.00 -2.14 0.00 -0.00 -1.25 -2.96 115.22 104.23 2gr9 n HIS 28 Ca -0.08 -0.37 0.02 0.00 -0.00 0.00 0.00 57.72 57.29 2gr9 n HIS 28 Cb 0.35 -0.22 0.02 0.00 -0.00 0.00 0.00 29.99 30.14 2gr9 n HIS 28 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2gr9 n LYS 29 N 0.74 0.12 -4.43 -1.40 4.76 -1.16 -4.97 118.16 111.81 2gr9 n LYS 29 Ca 0.00 -1.56 -0.19 0.00 -2.87 0.00 0.00 58.31 53.68 2gr9 n LYS 29 Cb 0.34 -0.39 -0.15 0.00 -1.84 0.00 0.00 35.03 33.00 2gr9 n LYS 29 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2gr9 s ILE 30 N -0.25 0.80 -0.09 -0.18 -1.09 -1.16 -3.07 121.20 116.17 2gr9 s ILE 30 Ca 0.17 -0.43 0.04 0.00 -2.23 0.00 0.00 60.65 58.19 2gr9 s ILE 30 Cb 0.18 -0.67 -0.01 0.00 -1.58 0.00 0.00 42.46 40.38 2gr9 s ILE 30 CO -0.07 0.23 -0.22 -0.32 -1.23 0.00 0.00 174.94 173.33 2gr9 s MET 31 N -0.23 2.89 -0.05 2.79 1.75 -0.27 0.16 119.30 126.34 2gr9 s MET 31 Ca 0.04 -0.85 0.02 0.00 -1.25 0.00 0.00 55.69 53.65 2gr9 s MET 31 Cb -0.04 -2.31 0.01 0.00 2.84 0.00 0.00 34.83 35.33 2gr9 s MET 31 CO -0.00 0.29 -0.08 0.00 -0.65 0.00 0.00 175.02 174.57 2gr9 s ALA 32 N 0.09 0.92 -0.47 4.11 0.00 0.50 0.19 121.76 127.10 2gr9 s ALA 32 Ca -0.10 -0.24 -0.23 0.00 0.00 0.00 0.00 51.96 51.39 2gr9 s ALA 32 Cb -0.16 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.54 2gr9 s ALA 32 CO 0.06 0.07 0.80 -1.12 0.00 0.00 0.00 175.76 175.57 2gr9 s SER 33 N 0.66 6.39 -1.03 0.00 0.01 -0.53 -2.15 113.70 117.06 2gr9 s SER 33 Ca -0.11 -0.20 -0.15 0.00 1.31 0.00 0.00 55.95 56.80 2gr9 s SER 33 Cb -0.14 -2.39 0.18 0.00 0.21 0.00 0.00 66.02 63.89 2gr9 s SER 33 CO 0.02 -0.96 1.15 -0.94 0.41 0.00 0.00 173.24 172.91 2gr9 s SER 34 N 2.28 6.90 0.63 2.44 1.04 -1.03 -2.70 113.70 123.26 2gr9 s SER 34 Ca 0.29 -2.70 0.41 0.00 0.48 0.00 0.00 55.95 54.43 2gr9 s SER 34 Cb -0.13 -2.34 2.25 0.00 0.10 0.00 0.00 66.02 65.91 2gr9 s SER 34 CO 0.21 -0.75 2.27 1.55 0.98 0.00 0.00 173.24 177.50 2gr9 h PRO 35 N 7.78 0.00 -4.75 4.02 0.13 -1.88 -3.40 132.00 133.90 2gr9 h PRO 35 Ca 0.20 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.99 2gr9 h PRO 35 Cb 0.96 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.94 2gr9 h PRO 35 CO 1.07 0.00 -0.57 -0.51 -0.23 0.00 0.00 178.00 177.76 2gr9 s ASP 36 N -4.97 0.90 -0.54 1.44 1.01 -1.26 -5.09 116.67 108.17 2gr9 s ASP 36 Ca -0.05 -1.53 0.05 0.00 0.71 0.00 0.00 52.55 51.74 2gr9 s ASP 36 Cb 0.12 0.42 0.19 0.00 1.01 0.00 0.00 42.92 44.66 2gr9 s ASP 36 CO 0.38 -0.91 0.46 0.23 0.21 0.00 0.00 175.17 175.54 2gr9 n MET 37 N -0.44 1.08 -3.62 8.23 2.81 -1.26 -4.91 117.12 119.01 2gr9 n MET 37 Ca 0.03 -3.80 -0.37 0.00 -1.81 0.00 0.00 57.70 51.74 2gr9 n MET 37 Cb 0.65 -1.89 -0.11 0.00 -0.71 0.00 0.00 33.22 31.16 2gr9 n MET 37 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 2gr9 s ASP 38 N -0.91 5.98 0.19 7.83 -4.77 -1.26 -4.94 116.67 118.78 2gr9 s ASP 38 Ca 0.31 0.01 0.04 0.00 -3.30 0.00 0.00 52.55 49.61 2gr9 s ASP 38 Cb 0.04 -2.10 0.54 0.00 -1.09 0.00 0.00 42.92 40.31 2gr9 s ASP 38 CO -0.16 -0.02 0.89 0.18 0.70 0.00 0.00 175.17 176.77 2gr9 n LEU 39 N 4.85 0.02 0.00 2.11 4.77 -1.26 -2.94 117.00 124.54 2gr9 n LEU 39 Ca -0.14 0.96 0.00 0.00 -0.03 0.00 0.00 56.01 56.80 2gr9 n LEU 39 Cb 0.52 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2gr9 n LEU 39 CO 0.33 -1.00 0.00 0.00 -1.33 0.00 0.00 177.39 175.39 2gr9 n ALA 40 N -3.13 0.00 -1.00 -1.18 0.00 -1.26 -2.97 120.51 110.97 2gr9 n ALA 40 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2gr9 n ALA 40 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2gr9 n ALA 40 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2gr9 n THR 41 N 0.00 0.00 -0.18 0.00 -1.04 -1.15 -2.81 114.28 109.09 2gr9 n THR 41 Ca 0.00 0.58 0.02 0.00 -2.04 0.00 0.00 64.05 62.61 2gr9 n THR 41 Cb 0.00 -1.31 0.06 0.00 -1.82 0.00 0.00 70.33 67.26 2gr9 n THR 41 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2gr9 n VAL 42 N -0.29 -0.22 0.05 12.58 0.31 -1.22 0.90 118.33 130.44 2gr9 n VAL 42 Ca 0.00 1.14 -0.07 0.00 -0.01 0.00 0.00 64.34 65.39 2gr9 n VAL 42 Cb 0.00 -1.56 0.08 0.00 -0.91 0.00 0.00 33.84 31.45 2gr9 n VAL 42 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2gr9 h SER 43 N 0.00 0.45 -0.10 4.52 0.87 -1.58 -2.71 113.55 115.00 2gr9 h SER 43 Ca 0.23 -0.25 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 2gr9 h SER 43 Cb 0.35 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 2gr9 h SER 43 CO -0.51 0.94 -0.02 0.00 -0.53 0.00 0.00 176.83 176.71 2gr9 h ALA 44 N 1.07 0.07 -0.16 6.23 0.00 0.69 -2.77 119.26 124.38 2gr9 h ALA 44 Ca -0.00 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2gr9 h ALA 44 Cb 1.11 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 2gr9 h ALA 44 CO 0.10 -0.49 -0.36 -0.07 0.00 0.00 0.00 179.25 178.43 2gr9 h LEU 45 N 0.00 -1.14 -0.91 0.00 3.38 -1.22 -1.66 115.31 113.77 2gr9 h LEU 45 Ca 0.05 0.16 0.30 0.00 0.09 0.00 0.00 57.88 58.48 2gr9 h LEU 45 Cb 0.07 0.48 -0.17 0.00 0.09 0.00 0.00 40.66 41.13 2gr9 h LEU 45 CO -0.10 -0.38 0.21 0.54 0.09 0.00 0.00 178.44 178.80 2gr9 n ARG 46 N -5.42 -0.07 0.01 1.13 1.74 -1.03 0.64 116.66 113.66 2gr9 n ARG 46 Ca -0.03 1.32 -0.18 0.00 -0.77 0.00 0.00 57.85 58.19 2gr9 n ARG 46 Cb 0.34 -2.20 -0.10 0.00 -1.02 0.00 0.00 32.46 29.49 2gr9 n ARG 46 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2gr9 h LYS 47 N 0.00 0.54 -0.68 5.56 1.57 -1.28 -3.16 116.57 119.12 2gr9 h LYS 47 Ca 0.64 -0.54 0.19 0.00 -1.87 0.00 0.00 60.65 59.07 2gr9 h LYS 47 Cb 1.50 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.92 2gr9 h LYS 47 CO -0.79 1.17 0.49 1.98 -0.57 0.00 0.00 179.45 181.73 2gr9 h MET 48 N 0.12 0.03 0.00 3.15 4.05 0.97 -3.45 114.93 119.80 2gr9 h MET 48 Ca -0.08 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 2gr9 h MET 48 Cb 1.40 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.20 2gr9 h MET 48 CO 0.14 0.02 0.00 0.41 0.23 0.00 0.00 176.91 177.71 2gr9 n GLY 49 N -1.66 2.05 3.65 1.39 0.00 -0.47 -4.84 105.19 105.32 2gr9 n GLY 49 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2gr9 n GLY 49 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2gr9 n VAL 50 N -0.12 3.89 -3.41 1.61 0.31 -1.21 -3.78 118.33 115.62 2gr9 n VAL 50 Ca 0.00 -0.50 -0.38 0.00 -0.01 0.00 0.00 64.34 63.45 2gr9 n VAL 50 Cb 0.00 -1.28 -0.06 0.00 -0.91 0.00 0.00 33.84 31.59 2gr9 n VAL 50 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2gr9 s LYS 51 N -2.85 4.14 0.02 5.55 1.02 0.12 -4.43 119.74 123.31 2gr9 s LYS 51 Ca 0.76 0.43 0.09 0.00 0.02 0.00 0.00 55.97 57.27 2gr9 s LYS 51 Cb -0.42 -3.32 -0.02 0.00 -0.52 0.00 0.00 37.83 33.54 2gr9 s LYS 51 CO 0.47 0.44 -0.26 -0.51 -0.92 0.00 0.00 175.35 174.57 2gr9 s LEU 52 N -0.29 2.12 -0.21 3.17 1.43 -1.26 -0.37 118.68 123.26 2gr9 s LEU 52 Ca 0.25 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 2gr9 s LEU 52 Cb -0.16 -1.31 0.07 0.00 0.03 0.00 0.00 46.19 44.82 2gr9 s LEU 52 CO 0.12 0.28 0.51 -0.89 0.23 0.00 0.00 176.35 176.60 2gr9 s THR 53 N -0.72 -0.05 -0.25 5.49 2.01 -0.91 -4.97 115.64 116.23 2gr9 s THR 53 Ca 0.11 0.06 0.26 0.00 0.31 0.00 0.00 61.69 62.43 2gr9 s THR 53 Cb -0.10 -0.75 0.27 0.00 0.01 0.00 0.00 72.50 71.93 2gr9 s THR 53 CO 0.01 0.03 1.77 1.55 -0.69 0.00 0.00 174.62 177.29 2gr9 h PRO 54 N 7.13 0.00 -5.63 4.92 0.13 -1.86 -2.74 132.00 133.96 2gr9 h PRO 54 Ca -0.34 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.17 2gr9 h PRO 54 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 2gr9 h PRO 54 CO 0.24 0.00 0.44 -1.01 -0.23 0.00 0.00 178.00 177.44 2gr9 s HIS 55 N -3.48 2.85 0.27 1.56 3.76 -1.26 -4.63 115.29 114.37 2gr9 s HIS 55 Ca 0.01 -0.16 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 2gr9 s HIS 55 Cb 0.09 -3.95 0.54 0.00 1.11 0.00 0.00 32.58 30.37 2gr9 s HIS 55 CO 0.36 -1.28 1.81 -0.91 -0.85 0.00 0.00 174.74 173.86 2gr9 h ASN 56 N 9.24 0.79 -0.52 1.40 2.35 -1.96 -2.48 115.58 124.40 2gr9 h ASN 56 Ca -0.27 0.06 0.08 0.00 -0.55 0.00 0.00 56.30 55.62 2gr9 h ASN 56 Cb 1.08 -0.09 -0.06 0.00 0.05 0.00 0.00 38.32 39.30 2gr9 h ASN 56 CO 1.06 0.39 0.16 0.11 -1.65 0.00 0.00 177.43 177.51 2gr9 h LYS 57 N 0.86 0.32 -0.92 0.81 1.57 -1.93 -1.29 116.57 116.00 2gr9 h LYS 57 Ca 0.48 -0.02 0.19 0.00 -1.87 0.00 0.00 60.65 59.43 2gr9 h LYS 57 Cb 0.54 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.71 2gr9 h LYS 57 CO -0.29 0.21 0.60 0.93 -0.57 0.00 0.00 179.45 180.32 2gr9 h GLU 58 N 0.33 0.52 0.60 3.15 5.08 -1.85 -1.14 114.58 121.27 2gr9 h GLU 58 Ca 0.26 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 2gr9 h GLU 58 Cb 0.30 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.44 2gr9 h GLU 58 CO -0.28 0.34 -0.29 1.15 -1.00 0.00 0.00 179.01 178.93 2gr9 h THR 59 N 0.53 0.39 -0.65 1.13 2.02 -1.29 -0.62 112.91 114.42 2gr9 h THR 59 Ca 0.48 -0.10 0.13 0.00 0.77 0.00 0.00 66.41 67.69 2gr9 h THR 59 Cb 1.02 0.43 -0.09 0.00 -1.74 0.00 0.00 68.15 67.77 2gr9 h THR 59 CO -0.22 0.01 0.14 0.58 0.37 0.00 0.00 175.52 176.41 2gr9 h VAL 60 N -0.87 0.60 -0.64 3.16 2.07 -1.03 0.46 116.25 120.00 2gr9 h VAL 60 Ca -0.08 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2gr9 h VAL 60 Cb 0.64 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 2gr9 h VAL 60 CO 0.14 0.05 0.33 1.56 0.02 0.00 0.00 177.57 179.66 2gr9 h GLN 61 N 0.26 0.90 -1.91 1.57 4.20 -1.22 -2.86 115.11 116.07 2gr9 h GLN 61 Ca 0.35 -0.12 -0.42 0.00 0.06 0.00 0.00 58.65 58.52 2gr9 h GLN 61 Cb 0.54 -0.17 -0.15 0.00 0.30 0.00 0.00 27.48 28.00 2gr9 h GLN 61 CO -0.44 0.70 0.29 1.58 -0.67 0.00 0.00 178.83 180.30 2gr9 n HIS 62 N -4.52 1.36 -3.21 2.96 -0.00 0.11 -4.81 115.22 107.12 2gr9 n HIS 62 Ca 0.05 -1.88 0.04 0.00 0.46 0.00 0.00 57.72 56.39 2gr9 n HIS 62 Cb 0.11 -1.31 -0.02 0.00 -0.12 0.00 0.00 29.99 28.64 2gr9 n HIS 62 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 2gr9 s SER 63 N 0.55 -0.78 0.10 0.26 1.04 -0.94 -4.47 113.70 109.46 2gr9 s SER 63 Ca 0.54 0.60 -0.16 0.00 0.48 0.00 0.00 55.95 57.41 2gr9 s SER 63 Cb 0.34 1.70 -0.07 0.00 0.10 0.00 0.00 66.02 68.09 2gr9 s SER 63 CO -0.15 -0.15 1.46 0.44 0.98 0.00 0.00 173.24 175.82 2gr9 h ASP 64 N 7.91 0.68 -3.28 7.02 5.19 -1.55 -3.41 116.42 128.98 2gr9 h ASP 64 Ca -0.17 -0.42 -0.66 0.00 -0.62 0.00 0.00 57.03 55.16 2gr9 h ASP 64 Cb 1.16 -0.19 -0.30 0.00 0.18 0.00 0.00 39.33 40.18 2gr9 h ASP 64 CO 0.05 0.95 -0.78 0.54 -3.12 0.00 0.00 179.24 176.89 2gr9 s VAL 65 N -4.55 2.89 -0.21 -1.35 0.11 -1.03 -2.05 120.40 114.20 2gr9 s VAL 65 Ca -0.13 -0.67 -0.07 0.00 -2.93 0.00 0.00 61.98 58.18 2gr9 s VAL 65 Cb 0.09 -2.27 -0.03 0.00 -1.53 0.00 0.00 36.38 32.64 2gr9 s VAL 65 CO 0.81 0.48 0.05 -0.22 -3.33 0.00 0.00 175.10 172.89 2gr9 s LEU 66 N 1.17 3.50 -0.28 2.54 2.96 0.68 -2.17 118.68 127.09 2gr9 s LEU 66 Ca 0.02 -0.12 -0.12 0.00 -0.22 0.00 0.00 54.13 53.69 2gr9 s LEU 66 Cb -0.14 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 2gr9 s LEU 66 CO -0.04 0.06 0.21 -0.36 -1.32 0.00 0.00 176.35 174.90 2gr9 s PHE 67 N 1.06 3.22 -0.96 5.38 0.40 0.18 0.02 117.98 127.29 2gr9 s PHE 67 Ca 0.03 0.16 -0.17 0.00 -0.60 0.00 0.00 56.93 56.35 2gr9 s PHE 67 Cb -0.14 -2.41 0.16 0.00 0.51 0.00 0.00 43.02 41.14 2gr9 s PHE 67 CO 0.03 -0.17 1.10 -0.51 0.70 0.00 0.00 175.22 176.36 2gr9 s LEU 68 N 1.80 5.46 -0.99 -0.37 1.43 0.74 0.49 118.68 127.23 2gr9 s LEU 68 Ca 0.08 -2.38 -0.01 0.00 -1.03 0.00 0.00 54.13 50.79 2gr9 s LEU 68 Cb -0.16 -2.35 0.32 0.00 0.03 0.00 0.00 46.19 44.03 2gr9 s LEU 68 CO 0.11 -0.88 1.67 0.00 0.23 0.00 0.00 176.35 177.47 2gr9 n ALA 69 N 5.72 5.76 -2.42 4.21 0.00 -0.91 -2.58 120.51 130.29 2gr9 n ALA 69 Ca 0.24 -4.66 -0.17 0.00 0.00 0.00 0.00 53.44 48.85 2gr9 n ALA 69 Cb 0.47 -2.06 -0.11 0.00 0.00 0.00 0.00 19.45 17.76 2gr9 n ALA 69 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2gr9 s VAL 70 N -4.05 1.37 0.28 0.00 1.01 -1.26 -4.61 120.40 113.15 2gr9 s VAL 70 Ca 0.39 -1.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.20 2gr9 s VAL 70 Cb 0.17 -1.69 -0.14 0.00 0.00 0.00 0.00 36.38 34.72 2gr9 s VAL 70 CO -0.09 -0.52 1.07 0.29 0.00 0.00 0.00 175.10 175.86 2gr9 n LYS 71 N 0.22 1.43 -0.40 2.72 5.02 -1.26 -4.70 118.16 121.19 2gr9 n LYS 71 Ca -0.13 0.50 0.38 0.00 -2.02 0.00 0.00 58.31 57.04 2gr9 n LYS 71 Cb 0.58 -1.92 0.62 0.00 -0.02 0.00 0.00 35.03 34.29 2gr9 n LYS 71 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2gr9 h PRO 72 N 2.34 0.00 0.00 1.97 0.11 -1.91 0.80 132.00 135.31 2gr9 h PRO 72 Ca -0.41 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.59 2gr9 h PRO 72 Cb 1.33 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 2gr9 h PRO 72 CO 0.63 0.00 -1.51 -2.39 -0.21 0.00 0.00 178.00 174.52 2gr9 n HIS 73 N -3.59 0.71 0.09 0.65 1.44 -1.26 -4.11 115.22 109.15 2gr9 n HIS 73 Ca 0.31 0.22 -0.06 0.00 -2.01 0.00 0.00 57.72 56.19 2gr9 n HIS 73 Cb 1.66 -0.94 -0.02 0.00 0.12 0.00 0.00 29.99 30.81 2gr9 n HIS 73 CO 0.00 0.00 0.00 0.82 -2.81 0.00 0.00 176.34 174.35 2gr9 h ILE 74 N 0.00 1.61 -0.67 0.61 1.08 -1.17 -3.33 117.51 115.64 2gr9 h ILE 74 Ca -0.13 -2.95 0.10 0.00 -0.39 0.00 0.00 64.86 61.49 2gr9 h ILE 74 Cb 1.39 2.60 -0.12 0.00 -3.07 0.00 0.00 36.82 37.63 2gr9 h ILE 74 CO 0.02 0.84 -0.42 0.40 -0.69 0.00 0.00 178.15 178.31 2gr9 h ILE 75 N 0.01 0.09 -0.94 -0.67 5.03 -1.66 -1.09 117.51 118.27 2gr9 h ILE 75 Ca -0.02 0.00 0.16 0.00 -0.12 0.00 0.00 64.86 64.88 2gr9 h ILE 75 Cb 1.55 0.09 -0.16 0.00 -3.03 0.00 0.00 36.82 35.26 2gr9 h ILE 75 CO 0.12 0.00 -0.34 -0.65 -0.68 0.00 0.00 178.15 176.60 2gr9 h PRO 76 N -0.17 -0.02 0.00 2.37 0.11 -1.80 0.58 132.00 133.07 2gr9 h PRO 76 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2gr9 h PRO 76 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2gr9 h PRO 76 CO -0.75 -0.01 0.00 1.19 -0.21 0.00 0.00 178.00 178.22 2gr9 n PHE 77 N -5.51 0.00 -0.30 0.65 3.01 -0.47 -3.21 117.46 111.63 2gr9 n PHE 77 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 2gr9 n PHE 77 Cb 0.42 -0.25 0.05 0.00 -0.01 0.00 0.00 39.48 39.69 2gr9 n PHE 77 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2gr9 n ILE 78 N -1.37 -0.40 -0.21 4.37 2.08 -0.84 0.43 119.36 123.42 2gr9 n ILE 78 Ca 0.00 1.85 0.30 0.00 0.56 0.00 0.00 62.75 65.46 2gr9 n ILE 78 Cb 0.00 -2.47 0.60 0.00 -0.75 0.00 0.00 39.64 37.03 2gr9 n ILE 78 CO 0.00 0.00 0.00 0.25 0.56 0.00 0.00 176.55 177.36 2gr9 h LEU 79 N 0.00 0.00 0.00 1.39 5.85 0.18 -1.94 115.31 120.79 2gr9 h LEU 79 Ca 0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2gr9 h LEU 79 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2gr9 h LEU 79 CO -0.79 0.00 0.00 0.47 -0.34 0.00 0.00 178.44 177.78 2gr9 n ASP 80 N -3.55 0.00 -0.28 1.25 8.00 0.17 -1.99 116.55 120.15 2gr9 n ASP 80 Ca 0.22 0.31 0.25 0.00 0.71 0.00 0.00 54.79 56.28 2gr9 n ASP 80 Cb 1.33 -0.49 0.42 0.00 -0.02 0.00 0.00 41.12 42.36 2gr9 n ASP 80 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2gr9 n GLU 81 N -2.17 -0.03 -0.06 -1.24 2.13 -0.98 0.84 120.64 119.14 2gr9 n GLU 81 Ca 0.00 0.82 -0.11 0.00 0.66 0.00 0.00 57.16 58.53 2gr9 n GLU 81 Cb 0.00 -1.59 -0.15 0.00 0.27 0.00 0.00 31.44 29.97 2gr9 n GLU 81 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2gr9 n ILE 82 N -4.07 1.54 -0.57 6.31 -0.00 -0.77 -4.45 119.36 117.35 2gr9 n ILE 82 Ca 0.26 -0.78 0.46 0.00 -0.00 0.00 0.00 62.75 62.68 2gr9 n ILE 82 Cb 0.97 -0.94 0.75 0.00 -0.00 0.00 0.00 39.64 40.42 2gr9 n ILE 82 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 2gr9 h GLY 83 N 3.29 0.68 1.77 7.39 0.00 0.11 1.09 103.07 117.40 2gr9 h GLY 83 Ca -0.43 -0.05 -0.19 0.00 0.00 0.00 0.00 47.33 46.66 2gr9 h GLY 83 CO 0.05 -0.23 -0.85 0.00 0.00 0.00 0.00 176.54 175.50 2gr9 h ALA 84 N 1.32 0.54 -0.00 3.60 0.00 -1.78 -3.26 119.26 119.69 2gr9 h ALA 84 Ca 0.89 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2gr9 h ALA 84 Cb 3.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.93 2gr9 h ALA 84 CO -0.23 0.89 -0.35 -0.25 0.00 0.00 0.00 179.25 179.31 2gr9 n ASP 85 N -3.68 0.43 -4.77 0.00 8.00 0.37 -4.87 116.55 112.03 2gr9 n ASP 85 Ca -0.04 -0.16 -0.39 0.00 0.71 0.00 0.00 54.79 54.91 2gr9 n ASP 85 Cb 0.79 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.93 2gr9 n ASP 85 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2gr9 s ILE 86 N -2.93 3.18 0.00 0.53 2.07 -0.65 -4.80 121.20 118.61 2gr9 s ILE 86 Ca 0.14 1.10 0.00 0.00 -1.41 0.00 0.00 60.65 60.48 2gr9 s ILE 86 Cb 0.18 -3.66 0.00 0.00 0.13 0.00 0.00 42.46 39.11 2gr9 s ILE 86 CO 0.64 0.19 0.00 -0.62 -1.91 0.00 0.00 174.94 173.24 2gr9 n GLU 87 N 0.60 3.52 -0.11 3.50 1.02 -1.26 -4.83 120.64 123.07 2gr9 n GLU 87 Ca 0.02 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.91 2gr9 n GLU 87 Cb 0.45 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.76 2gr9 n GLU 87 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2gr9 n ASP 88 N 0.00 1.90 -0.09 1.62 8.00 -1.26 -4.45 116.55 122.26 2gr9 n ASP 88 Ca 0.00 0.38 -0.06 0.00 0.71 0.00 0.00 54.79 55.83 2gr9 n ASP 88 Cb 0.00 -0.91 0.01 0.00 -0.02 0.00 0.00 41.12 40.20 2gr9 n ASP 88 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 2gr9 h ARG 89 N -0.96 0.10 -4.07 -1.24 0.11 -1.98 -3.45 114.38 102.89 2gr9 h ARG 89 Ca -0.46 -0.01 -0.52 0.00 0.10 0.00 0.00 59.98 59.09 2gr9 h ARG 89 Cb 1.43 -0.02 0.04 0.00 1.11 0.00 0.00 29.97 32.53 2gr9 h ARG 89 CO -0.27 0.07 -0.04 0.72 0.10 0.00 0.00 179.97 180.55 2gr9 n HIS 90 N -5.17 0.27 -4.09 4.08 8.25 -1.24 -4.92 115.22 112.41 2gr9 n HIS 90 Ca 0.01 0.71 -0.32 0.00 -0.26 0.00 0.00 57.72 57.86 2gr9 n HIS 90 Cb 0.17 -1.40 -0.16 0.00 1.12 0.00 0.00 29.99 29.72 2gr9 n HIS 90 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2gr9 s ILE 91 N -0.14 1.96 -0.50 1.59 1.01 -0.87 -4.45 121.20 119.80 2gr9 s ILE 91 Ca 0.58 -1.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.05 2gr9 s ILE 91 Cb -0.81 -1.85 0.07 0.00 0.01 0.00 0.00 42.46 39.88 2gr9 s ILE 91 CO 0.39 0.40 0.49 -0.69 0.00 0.00 0.00 174.94 175.53 2gr9 s VAL 92 N 1.30 5.10 -0.24 2.92 1.01 -0.10 -0.23 120.40 130.16 2gr9 s VAL 92 Ca 0.02 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 2gr9 s VAL 92 Cb -0.14 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 2gr9 s VAL 92 CO -0.11 -0.70 0.39 -0.69 0.00 0.00 0.00 175.10 173.99 2gr9 s VAL 93 N 2.00 5.18 -0.14 2.92 1.01 0.10 -2.05 120.40 129.42 2gr9 s VAL 93 Ca 0.08 0.65 0.02 0.00 0.00 0.00 0.00 61.98 62.73 2gr9 s VAL 93 Cb -0.23 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.44 2gr9 s VAL 93 CO 0.08 0.19 -0.22 -0.55 0.00 0.00 0.00 175.10 174.60 2gr9 s SER 94 N 1.39 3.12 -0.23 3.32 0.15 -0.90 -0.19 113.70 120.36 2gr9 s SER 94 Ca 0.17 -0.60 -0.01 0.00 0.70 0.00 0.00 55.95 56.20 2gr9 s SER 94 Cb -0.15 -1.45 0.02 0.00 -1.71 0.00 0.00 66.02 62.73 2gr9 s SER 94 CO 0.09 0.08 -0.08 0.00 1.20 0.00 0.00 173.24 174.52 2gr9 s ALA 96 N 1.33 -3.23 0.07 0.00 0.00 -1.26 -4.37 121.76 114.30 2gr9 s ALA 96 Ca 0.01 1.76 -0.34 0.00 0.00 0.00 0.00 51.96 53.39 2gr9 s ALA 96 Cb -0.16 -2.29 -0.18 0.00 0.00 0.00 0.00 23.12 20.48 2gr9 s ALA 96 CO -0.06 -1.08 0.84 0.00 0.00 0.00 0.00 175.76 175.46 2gr9 n ALA 97 N 4.87 -3.28 0.00 0.00 0.00 -1.26 -3.00 120.51 117.84 2gr9 n ALA 97 Ca -0.07 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2gr9 n ALA 97 Cb 0.54 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2gr9 n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gr9 n GLY 98 N 1.62 1.64 1.23 0.00 0.00 -1.26 -4.74 105.19 103.69 2gr9 n GLY 98 Ca 0.19 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 2gr9 n GLY 98 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2gr9 n VAL 99 N 0.00 0.00 -1.82 1.61 0.31 -1.16 -4.82 118.33 112.44 2gr9 n VAL 99 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 2gr9 n VAL 99 Cb 0.00 -0.18 0.05 0.00 -0.91 0.00 0.00 33.84 32.80 2gr9 n VAL 99 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2gr9 s THR 100 N 3.01 2.70 0.14 2.52 2.01 -1.26 -4.90 115.64 119.86 2gr9 s THR 100 Ca 0.47 0.39 -0.13 0.00 0.31 0.00 0.00 61.69 62.73 2gr9 s THR 100 Cb -0.46 -3.04 0.01 0.00 0.01 0.00 0.00 72.50 69.02 2gr9 s THR 100 CO 0.19 -0.14 1.62 -0.29 -0.69 0.00 0.00 174.62 175.30 2gr9 h ILE 101 N 0.42 1.25 0.00 1.82 -0.00 -1.97 -2.29 117.51 116.74 2gr9 h ILE 101 Ca -0.49 -0.97 0.00 0.00 -0.00 0.00 0.00 64.86 63.40 2gr9 h ILE 101 Cb 1.28 0.95 0.00 0.00 -0.00 0.00 0.00 36.82 39.06 2gr9 h ILE 101 CO 0.54 0.34 0.00 -0.24 -0.00 0.00 0.00 178.15 178.79 2gr9 n SER 102 N -4.40 0.00 -0.31 2.19 2.88 -1.26 -1.42 113.62 111.29 2gr9 n SER 102 Ca 0.01 0.96 0.16 0.00 -1.33 0.00 0.00 58.87 58.67 2gr9 n SER 102 Cb 0.27 -0.46 0.35 0.00 -0.75 0.00 0.00 64.21 63.62 2gr9 n SER 102 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2gr9 h SER 103 N 0.00 0.33 -0.65 -3.46 4.64 -1.93 0.56 113.55 113.04 2gr9 h SER 103 Ca 0.00 0.17 0.01 0.00 -0.47 0.00 0.00 61.79 61.50 2gr9 h SER 103 Cb 0.00 0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 2gr9 h SER 103 CO 0.00 -0.06 0.43 0.40 -0.87 0.00 0.00 176.83 176.73 2gr9 h ILE 104 N 0.35 1.15 -0.01 0.95 1.08 -1.01 -3.03 117.51 116.99 2gr9 h ILE 104 Ca 0.61 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 64.78 2gr9 h ILE 104 Cb 1.24 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 35.20 2gr9 h ILE 104 CO -0.57 0.16 -0.02 -0.33 -0.69 0.00 0.00 178.15 176.69 2gr9 h GLU 105 N 0.86 0.02 -2.80 2.37 5.08 0.13 -3.20 114.58 117.04 2gr9 h GLU 105 Ca 0.24 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.38 2gr9 h GLU 105 Cb -0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2gr9 h GLU 105 CO -0.06 0.64 0.96 1.63 -1.00 0.00 0.00 179.01 181.18 2gr9 n LYS 106 N -4.77 1.49 0.00 2.33 5.02 -0.54 -0.37 118.16 121.32 2gr9 n LYS 106 Ca -0.09 -0.89 0.00 0.00 -2.02 0.00 0.00 58.31 55.31 2gr9 n LYS 106 Cb 0.32 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 2gr9 n LYS 106 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2gr9 n LYS 107 N 3.26 0.00 0.03 1.97 4.76 -1.24 -4.78 118.16 122.16 2gr9 n LYS 107 Ca 0.32 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.88 2gr9 n LYS 107 Cb 0.38 0.00 0.20 0.00 -1.84 0.00 0.00 35.03 33.76 2gr9 n LYS 107 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2gr9 n LEU 108 N -1.13 0.60 0.15 -0.35 4.77 -0.19 -3.14 117.00 117.72 2gr9 n LEU 108 Ca 0.00 0.13 0.03 0.00 -0.03 0.00 0.00 56.01 56.14 2gr9 n LEU 108 Cb 0.00 -0.21 0.42 0.00 -2.33 0.00 0.00 43.42 41.30 2gr9 n LEU 108 CO 0.00 0.02 0.89 0.28 -1.33 0.00 0.00 177.39 177.25 2gr9 h SER 109 N 0.00 0.15 0.00 -1.43 0.02 -0.90 0.22 113.55 111.60 2gr9 h SER 109 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2gr9 h SER 109 Cb 0.65 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2gr9 h SER 109 CO 0.00 0.32 0.00 0.00 -1.14 0.00 0.00 176.83 176.01 2gr9 n ALA 110 N -2.49 1.98 -2.36 3.77 0.00 -1.19 -4.61 120.51 115.61 2gr9 n ALA 110 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2gr9 n ALA 110 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2gr9 n ALA 110 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2gr9 n PHE 111 N -0.16 0.00 -1.34 0.00 3.01 0.06 -5.00 117.46 114.02 2gr9 n PHE 111 Ca 0.00 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.02 2gr9 n PHE 111 Cb 0.07 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.53 2gr9 n PHE 111 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2gr9 n ARG 112 N 0.00 0.03 -0.32 -1.08 5.12 -1.18 -4.87 116.66 114.36 2gr9 n ARG 112 Ca 0.00 0.01 -0.04 0.00 -1.93 0.00 0.00 57.85 55.89 2gr9 n ARG 112 Cb 0.00 -1.02 0.08 0.00 -1.16 0.00 0.00 32.46 30.36 2gr9 n ARG 112 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2gr9 h PRO 113 N 0.60 1.21 -2.04 5.56 0.11 -1.86 -3.39 132.00 132.18 2gr9 h PRO 113 Ca -0.34 -0.14 -0.44 0.00 0.11 0.00 0.00 66.00 65.19 2gr9 h PRO 113 Cb 1.44 -0.24 -0.32 0.00 0.11 0.00 0.00 31.00 31.99 2gr9 h PRO 113 CO 0.51 0.89 -0.78 0.00 -0.21 0.00 0.00 178.00 178.41 2gr9 s ALA 114 N -5.83 0.11 0.26 -0.75 0.00 -1.26 -4.96 121.76 109.33 2gr9 s ALA 114 Ca -0.13 -1.50 -0.30 0.00 0.00 0.00 0.00 51.96 50.04 2gr9 s ALA 114 Cb 0.16 -1.93 -0.10 0.00 0.00 0.00 0.00 23.12 21.25 2gr9 s ALA 114 CO 0.82 -2.10 1.34 -2.14 0.00 0.00 0.00 175.76 173.68 2gr9 s PRO 115 N 0.87 4.35 -0.38 0.00 0.02 -1.26 -4.87 135.00 133.72 2gr9 s PRO 115 Ca 0.24 2.18 -0.24 0.00 0.02 0.00 0.00 61.00 63.20 2gr9 s PRO 115 Cb -0.09 -3.13 0.01 0.00 0.02 0.00 0.00 34.50 31.32 2gr9 s PRO 115 CO -0.08 -0.27 0.81 1.03 -0.33 0.00 0.00 177.00 178.17 2gr9 s ARG 116 N -0.76 3.70 -0.02 5.54 0.52 -1.26 -4.07 118.95 122.61 2gr9 s ARG 116 Ca 0.55 0.28 -0.00 0.00 -0.52 0.00 0.00 55.73 56.04 2gr9 s ARG 116 Cb -0.39 -3.83 0.03 0.00 0.52 0.00 0.00 34.95 31.28 2gr9 s ARG 116 CO 0.44 -0.92 0.04 0.08 0.02 0.00 0.00 175.30 174.96 2gr9 s VAL 117 N 3.22 -0.05 -0.06 3.52 1.01 -1.26 -0.92 120.40 125.86 2gr9 s VAL 117 Ca 0.32 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.56 2gr9 s VAL 117 Cb -0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 2gr9 s VAL 117 CO 0.19 0.08 -0.24 -0.63 0.00 0.00 0.00 175.10 174.50 2gr9 s ILE 118 N 1.01 1.99 -0.30 2.22 1.01 -0.87 0.24 121.20 126.51 2gr9 s ILE 118 Ca -0.08 -1.03 -0.24 0.00 0.00 0.00 0.00 60.65 59.30 2gr9 s ILE 118 Cb -0.12 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.67 2gr9 s ILE 118 CO -0.03 0.55 0.83 -0.60 0.00 0.00 0.00 174.94 175.69 2gr9 s ARG 119 N -0.11 4.01 0.26 2.79 3.52 0.22 -2.11 118.95 127.53 2gr9 s ARG 119 Ca -0.05 0.71 0.06 0.00 -0.13 0.00 0.00 55.73 56.32 2gr9 s ARG 119 Cb -0.14 -3.72 -0.03 0.00 -1.56 0.00 0.00 34.95 29.50 2gr9 s ARG 119 CO 0.04 -0.68 0.28 0.00 -0.81 0.00 0.00 175.30 174.13 2gr9 s MET 121 N -3.92 0.53 0.00 0.00 0.00 -0.83 -4.31 119.30 110.77 2gr9 s MET 121 Ca 0.35 1.03 0.00 0.00 0.00 0.00 0.00 55.69 57.06 2gr9 s MET 121 Cb -0.08 0.45 0.00 0.00 0.00 0.00 0.00 34.83 35.20 2gr9 s MET 121 CO 0.27 -0.52 0.00 2.41 0.00 0.00 0.00 175.02 177.17 2gr9 n THR 122 N 5.42 0.00 -3.84 10.11 -1.04 -1.26 -0.88 114.28 122.79 2gr9 n THR 122 Ca -0.04 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.91 2gr9 n THR 122 Cb 0.50 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.00 2gr9 n THR 122 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2gr9 s ASN 123 N 1.00 -0.23 0.21 8.00 2.20 -1.26 -4.60 114.94 120.26 2gr9 s ASN 123 Ca 0.00 -0.62 -0.09 0.00 -0.94 0.00 0.00 52.86 51.21 2gr9 s ASN 123 Cb 0.00 0.70 0.25 0.00 -2.00 0.00 0.00 41.25 40.20 2gr9 s ASN 123 CO 0.00 -1.31 1.78 0.74 -2.94 0.00 0.00 177.10 175.38 2gr9 h THR 124 N 2.00 0.89 -1.09 0.54 2.02 -1.94 -2.88 112.91 112.45 2gr9 h THR 124 Ca -0.21 -0.19 0.31 0.00 0.77 0.00 0.00 66.41 67.10 2gr9 h THR 124 Cb 1.25 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 2gr9 h THR 124 CO 0.25 0.10 0.98 -2.65 0.37 0.00 0.00 175.52 174.57 2gr9 n PRO 125 N -4.88 0.01 -0.32 6.66 -0.02 -1.26 -0.28 135.00 134.91 2gr9 n PRO 125 Ca 0.08 0.78 0.29 0.00 -2.02 0.00 0.00 63.50 62.63 2gr9 n PRO 125 Cb 0.22 -1.87 0.53 0.00 -0.02 0.00 0.00 33.50 32.35 2gr9 n PRO 125 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2gr9 n VAL 126 N -3.04 -0.41 0.09 -1.45 0.31 -1.09 -0.00 118.33 112.73 2gr9 n VAL 126 Ca 0.24 2.03 0.20 0.00 -0.01 0.00 0.00 64.34 66.81 2gr9 n VAL 126 Cb 1.30 -3.24 0.75 0.00 -0.91 0.00 0.00 33.84 31.74 2gr9 n VAL 126 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2gr9 h VAL 127 N 0.00 0.40 0.00 2.52 2.07 -0.79 0.77 116.25 121.22 2gr9 h VAL 127 Ca 0.80 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.96 2gr9 h VAL 127 Cb 2.05 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 32.41 2gr9 h VAL 127 CO -0.79 0.00 -2.24 0.55 0.02 0.00 0.00 177.57 175.11 2gr9 n VAL 128 N -3.76 1.44 0.00 2.57 3.14 0.99 -4.43 118.33 118.29 2gr9 n VAL 128 Ca 0.07 -0.84 0.00 0.00 -2.96 0.00 0.00 64.34 60.62 2gr9 n VAL 128 Cb 0.61 -0.62 0.00 0.00 -1.06 0.00 0.00 33.84 32.77 2gr9 n VAL 128 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2gr9 n ARG 129 N -2.84 0.00 -2.32 1.45 1.74 0.26 -5.03 116.66 109.93 2gr9 n ARG 129 Ca -0.30 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.74 2gr9 n ARG 129 Cb 1.13 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 32.62 2gr9 n ARG 129 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2gr9 n GLU 130 N -0.42 1.84 -1.74 5.56 -0.58 -1.13 -3.00 120.64 121.17 2gr9 n GLU 130 Ca 0.00 -3.39 -0.31 0.00 -0.42 0.00 0.00 57.16 53.04 2gr9 n GLU 130 Cb 0.00 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 29.41 2gr9 n GLU 130 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2gr9 s GLY 131 N -3.44 1.66 -0.47 0.62 0.00 -1.20 -4.62 107.32 99.87 2gr9 s GLY 131 Ca 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 44.72 45.03 2gr9 s GLY 131 CO -0.05 0.27 0.25 0.00 0.00 0.00 0.00 173.10 173.57 2gr9 s ALA 132 N -3.12 3.25 -0.12 3.20 0.00 -1.26 0.44 121.76 124.14 2gr9 s ALA 132 Ca 0.56 -2.83 0.02 0.00 0.00 0.00 0.00 51.96 49.71 2gr9 s ALA 132 Cb -0.12 -2.37 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 2gr9 s ALA 132 CO 0.54 -1.89 -0.19 -0.08 0.00 0.00 0.00 175.76 174.14 2gr9 s THR 133 N 0.58 2.53 0.07 0.00 -1.32 -0.42 -4.41 115.64 112.67 2gr9 s THR 133 Ca 0.12 -0.85 0.08 0.00 -1.21 0.00 0.00 61.69 59.83 2gr9 s THR 133 Cb -0.22 -2.02 -0.03 0.00 -1.51 0.00 0.00 72.50 68.72 2gr9 s THR 133 CO -0.04 0.54 -0.20 0.54 -2.21 0.00 0.00 174.62 173.25 2gr9 s VAL 134 N 0.37 2.65 0.12 5.08 0.11 -0.06 -2.53 120.40 126.14 2gr9 s VAL 134 Ca -0.15 -1.35 0.05 0.00 -2.93 0.00 0.00 61.98 57.61 2gr9 s VAL 134 Cb -0.17 -2.14 -0.04 0.00 -1.53 0.00 0.00 36.38 32.51 2gr9 s VAL 134 CO 0.07 0.26 -0.12 -0.72 -3.33 0.00 0.00 175.10 171.26 2gr9 s TYR 135 N -0.97 1.29 -0.15 1.54 -0.85 -0.26 -1.96 117.35 115.98 2gr9 s TYR 135 Ca 0.15 -0.61 -0.00 0.00 -0.52 0.00 0.00 57.07 56.09 2gr9 s TYR 135 Cb -0.10 -0.68 0.03 0.00 0.38 0.00 0.00 41.96 41.59 2gr9 s TYR 135 CO 0.06 0.10 -0.08 0.00 -1.52 0.00 0.00 175.55 174.11 2gr9 s ALA 136 N -2.42 1.59 0.07 9.51 0.00 -0.34 0.64 121.76 130.81 2gr9 s ALA 136 Ca 0.09 -0.82 -0.31 0.00 0.00 0.00 0.00 51.96 50.93 2gr9 s ALA 136 Cb -0.03 -1.07 -0.06 0.00 0.00 0.00 0.00 23.12 21.96 2gr9 s ALA 136 CO 0.02 -0.60 1.25 -0.08 0.00 0.00 0.00 175.76 176.35 2gr9 s THR 137 N 1.59 3.85 0.72 0.00 -1.32 -1.26 -0.61 115.64 118.62 2gr9 s THR 137 Ca 0.03 1.33 -0.12 0.00 -1.21 0.00 0.00 61.69 61.71 2gr9 s THR 137 Cb -0.14 -3.85 0.19 0.00 -1.51 0.00 0.00 72.50 67.19 2gr9 s THR 137 CO -0.09 0.10 0.45 0.61 -2.21 0.00 0.00 174.62 173.48 2gr9 n GLY 138 N 3.30 -3.67 0.17 6.08 0.00 0.14 -4.93 105.19 106.27 2gr9 n GLY 138 Ca 0.10 -1.29 -0.21 0.00 0.00 0.00 0.00 46.02 44.61 2gr9 n GLY 138 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2gr9 h THR 139 N -2.73 1.32 -1.00 2.61 2.02 -1.86 -3.26 112.91 110.01 2gr9 h THR 139 Ca -0.20 -2.38 -0.68 0.00 0.77 0.00 0.00 66.41 63.92 2gr9 h THR 139 Cb 0.66 2.69 -0.29 0.00 -1.74 0.00 0.00 68.15 69.47 2gr9 h THR 139 CO 0.12 0.72 0.88 1.41 0.37 0.00 0.00 175.52 179.02 2gr9 n HIS 140 N -3.89 3.21 -3.67 3.16 8.25 -1.26 -4.88 115.22 116.14 2gr9 n HIS 140 Ca -0.13 -3.02 -0.39 0.00 -0.26 0.00 0.00 57.72 53.92 2gr9 n HIS 140 Cb 0.92 -1.45 -0.11 0.00 1.12 0.00 0.00 29.99 30.47 2gr9 n HIS 140 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gr9 s ALA 141 N -3.80 3.19 1.11 -1.41 0.00 -1.23 -4.22 121.76 115.39 2gr9 s ALA 141 Ca 0.64 -1.93 -0.07 0.00 0.00 0.00 0.00 51.96 50.60 2gr9 s ALA 141 Cb 0.51 -2.48 0.10 0.00 0.00 0.00 0.00 23.12 21.25 2gr9 s ALA 141 CO -0.01 -1.49 0.29 1.04 0.00 0.00 0.00 175.76 175.59 2gr9 n GLN 142 N 4.88 -2.29 0.02 0.00 6.02 -1.26 -4.85 117.38 119.90 2gr9 n GLN 142 Ca -0.11 -0.48 -0.01 0.00 -0.01 0.00 0.00 57.00 56.39 2gr9 n GLN 142 Cb 0.44 -0.53 -0.01 0.00 1.02 0.00 0.00 30.24 31.17 2gr9 n GLN 142 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2gr9 h VAL 143 N -2.20 0.00 0.00 5.09 2.07 -2.01 -3.16 116.25 116.04 2gr9 h VAL 143 Ca -0.12 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.15 2gr9 h VAL 143 Cb 0.39 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2gr9 h VAL 143 CO 0.08 0.00 0.01 -0.62 0.02 0.00 0.00 177.57 177.06 2gr9 n GLU 144 N -2.90 0.00 0.13 1.57 -0.58 -1.26 -0.91 120.64 116.69 2gr9 n GLU 144 Ca -0.01 0.23 -0.11 0.00 -0.42 0.00 0.00 57.16 56.85 2gr9 n GLU 144 Cb 0.03 -1.51 -0.07 0.00 -0.57 0.00 0.00 31.44 29.32 2gr9 n GLU 144 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2gr9 h ASP 145 N 0.00 -0.33 0.48 1.62 3.58 -1.90 -3.12 116.42 116.75 2gr9 h ASP 145 Ca 0.00 -0.20 -0.20 0.00 0.42 0.00 0.00 57.03 57.05 2gr9 h ASP 145 Cb 0.03 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2gr9 h ASP 145 CO 0.00 0.14 -0.87 1.23 -2.88 0.00 0.00 179.24 176.85 2gr9 h GLY 146 N -0.91 0.30 1.22 -0.78 0.00 -1.00 -3.19 103.07 98.71 2gr9 h GLY 146 Ca -0.04 -0.52 0.11 0.00 0.00 0.00 0.00 47.33 46.88 2gr9 h GLY 146 CO 0.06 0.46 0.28 3.21 0.00 0.00 0.00 176.54 180.56 2gr9 h ARG 147 N 0.16 0.00 0.00 4.80 3.08 -1.47 0.62 114.38 121.57 2gr9 h ARG 147 Ca -0.05 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.85 2gr9 h ARG 147 Cb 1.49 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.52 2gr9 h ARG 147 CO 0.14 0.00 -0.73 1.25 -1.07 0.00 0.00 179.97 179.56 2gr9 h LEU 148 N 0.00 0.00 -0.05 3.04 5.85 -1.53 -2.61 115.31 120.02 2gr9 h LEU 148 Ca 0.18 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2gr9 h LEU 148 Cb 0.75 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 2gr9 h LEU 148 CO -0.00 0.73 -0.02 -0.03 -0.34 0.00 0.00 178.44 178.78 2gr9 h MET 149 N 0.00 0.10 0.00 1.25 4.05 0.10 -2.51 114.93 117.92 2gr9 h MET 149 Ca -0.01 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.34 2gr9 h MET 149 Cb 1.40 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.19 2gr9 h MET 149 CO 0.09 0.49 -0.17 1.49 0.23 0.00 0.00 176.91 179.05 2gr9 h GLU 150 N -0.30 0.00 -0.12 0.39 4.81 -1.00 -2.00 114.58 116.36 2gr9 h GLU 150 Ca 0.01 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.06 2gr9 h GLU 150 Cb 0.46 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.85 2gr9 h GLU 150 CO 0.01 0.17 -0.61 1.96 -0.73 0.00 0.00 179.01 179.80 2gr9 h GLN 151 N 0.00 0.63 0.67 1.92 4.20 -1.40 -2.71 115.11 118.42 2gr9 h GLN 151 Ca -0.00 -0.52 -0.03 0.00 0.06 0.00 0.00 58.65 58.16 2gr9 h GLN 151 Cb 0.60 0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.49 2gr9 h GLN 151 CO 0.02 1.14 -0.32 -0.07 -0.67 0.00 0.00 178.83 178.93 2gr9 h LEU 152 N 0.29 -0.76 0.00 1.46 3.38 -1.18 -2.88 115.31 115.62 2gr9 h LEU 152 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2gr9 h LEU 152 Cb 1.25 0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.20 2gr9 h LEU 152 CO 0.13 -0.42 0.00 0.18 0.09 0.00 0.00 178.44 178.42 2gr9 n LEU 153 N -5.40 0.00 0.02 1.67 7.99 -0.78 -2.24 117.00 118.26 2gr9 n LEU 153 Ca -0.12 0.38 -0.15 0.00 -0.01 0.00 0.00 56.01 56.11 2gr9 n LEU 153 Cb 0.37 -0.38 -0.14 0.00 -0.11 0.00 0.00 43.42 43.16 2gr9 n LEU 153 CO 0.32 -0.23 -0.49 0.28 -1.51 0.00 0.00 177.39 175.77 2gr9 h SER 154 N 0.00 0.26 0.09 -1.43 0.02 -1.37 -3.28 113.55 107.84 2gr9 h SER 154 Ca 0.00 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2gr9 h SER 154 Cb 0.15 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2gr9 h SER 154 CO 0.00 1.39 0.00 -1.54 -1.14 0.00 0.00 176.83 175.54 2gr9 n SER 155 N -3.33 0.00 -2.72 3.07 3.41 -0.95 -2.49 113.62 110.61 2gr9 n SER 155 Ca -0.20 0.14 -0.06 0.00 -0.26 0.00 0.00 58.87 58.49 2gr9 n SER 155 Cb 1.04 -0.24 0.04 0.00 -0.26 0.00 0.00 64.21 64.80 2gr9 n SER 155 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2gr9 n VAL 156 N -1.24 1.00 0.00 -3.33 0.31 -1.24 -4.67 118.33 109.16 2gr9 n VAL 156 Ca 0.03 -2.88 0.00 0.00 -0.01 0.00 0.00 64.34 61.48 2gr9 n VAL 156 Cb 0.04 0.89 0.00 0.00 -0.91 0.00 0.00 33.84 33.86 2gr9 n VAL 156 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2gr9 n GLY 157 N -0.29 0.73 3.78 2.92 0.00 -1.04 -3.26 105.19 108.04 2gr9 n GLY 157 Ca 0.07 -2.17 -0.33 0.00 0.00 0.00 0.00 46.02 43.59 2gr9 n GLY 157 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gr9 s PHE 158 N -0.89 2.75 -0.29 1.61 5.36 0.17 -4.23 117.98 122.46 2gr9 s PHE 158 Ca 0.00 1.53 -0.15 0.00 -0.96 0.00 0.00 56.93 57.35 2gr9 s PHE 158 Cb 0.00 -3.10 0.11 0.00 -0.34 0.00 0.00 43.02 39.69 2gr9 s PHE 158 CO 0.00 -1.52 0.76 0.00 -1.46 0.00 0.00 175.22 173.01 2gr9 s THR 160 N 1.82 0.04 0.51 0.00 -1.32 -1.05 -4.99 115.64 110.65 2gr9 s THR 160 Ca -0.09 -0.34 -0.19 0.00 -1.21 0.00 0.00 61.69 59.87 2gr9 s THR 160 Cb -0.06 -0.78 -0.07 0.00 -1.51 0.00 0.00 72.50 70.08 2gr9 s THR 160 CO -0.19 -0.18 1.03 -0.70 -2.21 0.00 0.00 174.62 172.37 2gr9 s GLU 161 N -1.47 3.74 -0.22 7.08 2.12 -1.26 -1.11 118.70 127.58 2gr9 s GLU 161 Ca -0.12 1.26 -0.18 0.00 0.36 0.00 0.00 54.97 56.30 2gr9 s GLU 161 Cb -0.03 -2.09 0.06 0.00 0.26 0.00 0.00 34.13 32.33 2gr9 s GLU 161 CO 0.05 -0.47 0.57 0.08 -0.54 0.00 0.00 175.26 174.95 2gr9 s VAL 162 N -2.18 -0.00 -0.33 3.70 1.01 0.21 -4.81 120.40 117.99 2gr9 s VAL 162 Ca 0.65 0.01 -0.27 0.00 0.00 0.00 0.00 61.98 62.37 2gr9 s VAL 162 Cb -0.15 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 2gr9 s VAL 162 CO 0.24 0.01 2.23 -0.70 0.00 0.00 0.00 175.10 176.88 2gr9 s GLU 163 N 0.68 2.79 0.02 2.72 2.12 -1.26 -3.97 118.70 121.79 2gr9 s GLU 163 Ca -0.03 1.71 0.00 0.00 0.36 0.00 0.00 54.97 57.01 2gr9 s GLU 163 Cb -0.05 -4.43 0.05 0.00 0.26 0.00 0.00 34.13 29.96 2gr9 s GLU 163 CO -0.05 -2.50 0.08 -1.91 -0.54 0.00 0.00 175.26 170.34 2gr9 n GLU 164 N 8.83 -0.00 0.07 4.30 2.13 -1.26 -0.64 120.64 134.07 2gr9 n GLU 164 Ca 0.31 0.07 0.03 0.00 0.66 0.00 0.00 57.16 58.23 2gr9 n GLU 164 Cb 0.49 -0.12 0.19 0.00 0.27 0.00 0.00 31.44 32.27 2gr9 n GLU 164 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2gr9 n ASP 165 N -3.52 0.18 -0.02 4.31 3.85 -1.26 -0.50 116.55 119.58 2gr9 n ASP 165 Ca 0.01 0.48 -0.22 0.00 -0.71 0.00 0.00 54.79 54.35 2gr9 n ASP 165 Cb 0.05 -0.47 -0.13 0.00 -1.35 0.00 0.00 41.12 39.21 2gr9 n ASP 165 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 2gr9 h LEU 166 N 0.00 0.31 -0.93 -2.12 3.38 -1.23 -3.39 115.31 111.34 2gr9 h LEU 166 Ca 0.00 -0.82 0.29 0.00 0.09 0.00 0.00 57.88 57.43 2gr9 h LEU 166 Cb 0.33 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 2gr9 h LEU 166 CO 0.00 1.73 0.65 -0.38 0.09 0.00 0.00 178.44 180.53 2gr9 n ILE 167 N -3.80 -0.05 -0.11 1.22 2.08 0.34 0.12 119.36 119.15 2gr9 n ILE 167 Ca -0.31 0.86 -0.11 0.00 0.56 0.00 0.00 62.75 63.75 2gr9 n ILE 167 Cb 0.93 -1.43 -0.03 0.00 -0.75 0.00 0.00 39.64 38.36 2gr9 n ILE 167 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 2gr9 h ASP 168 N 0.00 0.59 0.25 4.38 5.19 -1.75 -3.14 116.42 121.93 2gr9 h ASP 168 Ca 0.49 -0.35 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 2gr9 h ASP 168 Cb 1.82 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 41.17 2gr9 h ASP 168 CO -0.10 0.80 -0.12 0.00 -3.12 0.00 0.00 179.24 176.70 2gr9 h ALA 169 N 0.81 -0.33 0.00 3.45 0.00 0.62 -2.29 119.26 121.52 2gr9 h ALA 169 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2gr9 h ALA 169 Cb 0.53 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2gr9 h ALA 169 CO 0.03 -0.56 0.02 0.28 0.00 0.00 0.00 179.25 179.02 2gr9 n VAL 170 N -5.12 0.14 -0.04 0.00 0.31 -1.12 -0.90 118.33 111.61 2gr9 n VAL 170 Ca -0.09 0.06 -0.02 0.00 -0.01 0.00 0.00 64.34 64.28 2gr9 n VAL 170 Cb 0.23 -1.06 -0.01 0.00 -0.91 0.00 0.00 33.84 32.10 2gr9 n VAL 170 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2gr9 h THR 171 N 0.00 0.00 -0.94 2.52 2.02 -1.36 -2.23 112.91 112.92 2gr9 h THR 171 Ca 0.00 -0.62 0.24 0.00 0.77 0.00 0.00 66.41 66.81 2gr9 h THR 171 Cb 0.04 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.32 2gr9 h THR 171 CO 0.00 0.00 0.45 1.23 0.37 0.00 0.00 175.52 177.57 2gr9 h GLY 172 N -0.62 1.70 0.00 2.16 0.00 -1.08 0.34 103.07 105.57 2gr9 h GLY 172 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2gr9 h GLY 172 CO 0.00 -0.31 0.00 -0.10 0.00 0.00 0.00 176.54 176.13 2gr9 n LEU 173 N -5.03 0.00 0.32 3.11 0.00 -1.03 -3.74 117.00 110.62 2gr9 n LEU 173 Ca 0.25 0.00 0.19 0.00 0.00 0.00 0.00 56.01 56.44 2gr9 n LEU 173 Cb 0.73 0.00 0.98 0.00 0.00 0.00 0.00 43.42 45.13 2gr9 n LEU 173 CO 0.12 0.00 1.15 -1.28 0.00 0.00 0.00 177.39 177.39 2gr9 h SER 174 N 0.00 0.00 0.00 1.96 0.87 -1.63 0.53 113.55 115.29 2gr9 h SER 174 Ca 0.00 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.31 2gr9 h SER 174 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 2gr9 h SER 174 CO 0.00 0.00 -1.36 0.61 -0.53 0.00 0.00 176.83 175.55 2gr9 n GLY 175 N -1.20 -0.81 0.16 5.77 0.00 0.97 -4.40 105.19 105.68 2gr9 n GLY 175 Ca -0.02 0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.20 2gr9 n GLY 175 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2gr9 h SER 176 N -1.00 0.00 -0.64 1.61 0.02 -0.92 -3.40 113.55 109.22 2gr9 h SER 176 Ca -0.37 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 60.68 2gr9 h SER 176 Cb 1.32 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.74 2gr9 h SER 176 CO -0.23 0.08 -0.40 1.23 -1.14 0.00 0.00 176.83 176.37 2gr9 h GLY 177 N 3.94 -0.29 1.18 -3.77 0.00 -0.99 0.26 103.07 103.41 2gr9 h GLY 177 Ca -0.01 0.52 0.07 0.00 0.00 0.00 0.00 47.33 47.91 2gr9 h GLY 177 CO 0.01 -0.18 0.34 -2.55 0.00 0.00 0.00 176.54 174.16 2gr9 h PRO 178 N -0.17 0.00 -0.21 4.80 0.11 -1.83 0.41 132.00 135.11 2gr9 h PRO 178 Ca 0.22 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.15 2gr9 h PRO 178 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2gr9 h PRO 178 CO -0.73 0.00 -0.57 0.00 -0.21 0.00 0.00 178.00 176.49 2gr9 h ALA 179 N 1.55 0.36 0.18 -0.75 0.00 -0.79 -1.70 119.26 118.11 2gr9 h ALA 179 Ca 0.12 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2gr9 h ALA 179 Cb 0.80 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2gr9 h ALA 179 CO -0.00 0.59 -0.09 1.88 0.00 0.00 0.00 179.25 181.63 2gr9 h TYR 180 N 0.50 -0.22 -0.45 0.00 0.99 0.15 -2.81 116.97 115.13 2gr9 h TYR 180 Ca -0.01 -0.01 0.08 0.00 2.00 0.00 0.00 58.73 60.79 2gr9 h TYR 180 Cb 1.19 0.07 -0.07 0.00 1.00 0.00 0.00 36.73 38.93 2gr9 h TYR 180 CO 0.09 -0.14 0.06 0.00 -0.00 0.00 0.00 178.16 178.17 2gr9 h ALA 181 N 0.58 0.47 -0.25 3.88 0.00 -0.94 0.01 119.26 123.01 2gr9 h ALA 181 Ca -0.02 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2gr9 h ALA 181 Cb 0.18 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2gr9 h ALA 181 CO 0.04 -0.34 0.18 0.74 0.00 0.00 0.00 179.25 179.87 2gr9 h PHE 182 N 0.19 0.12 0.00 0.00 0.05 -1.23 0.35 116.94 116.42 2gr9 h PHE 182 Ca 0.22 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 61.89 2gr9 h PHE 182 Cb 0.30 -0.04 -0.02 0.00 2.00 0.00 0.00 35.95 38.19 2gr9 h PHE 182 CO -0.24 0.07 -0.61 1.15 -0.18 0.00 0.00 178.31 178.50 2gr9 h THR 183 N 0.12 1.19 0.03 -1.55 2.02 -0.78 -3.05 112.91 110.89 2gr9 h THR 183 Ca 0.11 -2.31 -0.07 0.00 0.77 0.00 0.00 66.41 64.91 2gr9 h THR 183 Cb 0.31 2.34 0.01 0.00 -1.74 0.00 0.00 68.15 69.07 2gr9 h THR 183 CO -0.01 0.60 -0.30 0.00 0.37 0.00 0.00 175.52 176.18 2gr9 h ALA 184 N 1.39 -0.00 0.00 6.16 0.00 0.54 -2.89 119.26 124.46 2gr9 h ALA 184 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2gr9 h ALA 184 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2gr9 h ALA 184 CO 0.08 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.73 2gr9 n LEU 185 N -4.46 0.05 -0.09 0.00 4.77 0.92 -0.84 117.00 117.36 2gr9 n LEU 185 Ca -0.11 0.52 -0.23 0.00 -0.03 0.00 0.00 56.01 56.17 2gr9 n LEU 185 Cb 0.56 -0.52 -0.12 0.00 -2.33 0.00 0.00 43.42 41.01 2gr9 n LEU 185 CO 0.40 -0.41 -0.71 -0.67 -1.33 0.00 0.00 177.39 174.66 2gr9 n ASP 186 N -1.56 1.93 0.14 -1.43 2.03 -1.15 -3.12 116.55 113.38 2gr9 n ASP 186 Ca 0.02 0.35 -0.14 0.00 0.52 0.00 0.00 54.79 55.53 2gr9 n ASP 186 Cb 0.09 -0.91 -0.08 0.00 -0.72 0.00 0.00 41.12 39.49 2gr9 n ASP 186 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2gr9 h ALA 187 N -0.41 -0.98 -0.93 -1.67 0.00 -1.18 0.21 119.26 114.30 2gr9 h ALA 187 Ca -0.41 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.48 2gr9 h ALA 187 Cb 1.51 0.78 -0.12 0.00 0.00 0.00 0.00 17.79 19.97 2gr9 h ALA 187 CO -0.17 -1.06 -0.55 -0.07 0.00 0.00 0.00 179.25 177.40 2gr9 h LEU 188 N -0.70 -2.00 -1.27 0.00 3.38 -1.17 0.84 115.31 114.40 2gr9 h LEU 188 Ca -0.02 0.32 0.14 0.00 0.09 0.00 0.00 57.88 58.40 2gr9 h LEU 188 Cb 0.67 0.90 -0.07 0.00 0.09 0.00 0.00 40.66 42.25 2gr9 h LEU 188 CO -0.19 -0.26 0.57 0.00 0.09 0.00 0.00 178.44 178.66 2gr9 h ALA 189 N 0.59 1.79 -0.52 1.53 0.00 -1.37 0.47 119.26 121.75 2gr9 h ALA 189 Ca 0.18 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2gr9 h ALA 189 Cb 0.46 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2gr9 h ALA 189 CO -0.91 -0.03 0.31 -0.44 0.00 0.00 0.00 179.25 178.18 2gr9 h ASP 190 N 0.73 0.63 0.04 0.00 5.19 0.39 -1.16 116.42 122.24 2gr9 h ASP 190 Ca 0.44 -0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.79 2gr9 h ASP 190 Cb 0.67 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.02 2gr9 h ASP 190 CO -0.20 0.51 -0.02 1.23 -3.12 0.00 0.00 179.24 177.63 2gr9 h GLY 191 N 0.69 -0.06 -0.58 2.75 0.00 0.11 -0.98 103.07 105.00 2gr9 h GLY 191 Ca 0.19 0.02 0.18 0.00 0.00 0.00 0.00 47.33 47.72 2gr9 h GLY 191 CO -0.03 -0.02 -0.08 -1.33 0.00 0.00 0.00 176.54 175.07 2gr9 h GLY 192 N -0.33 0.80 0.80 4.60 0.00 0.05 -0.66 103.07 108.33 2gr9 h GLY 192 Ca -0.01 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 2gr9 h GLY 192 CO 0.01 -0.34 0.02 -2.08 0.00 0.00 0.00 176.54 174.16 2gr9 h VAL 193 N 0.04 1.21 0.00 4.60 2.07 -0.85 -1.32 116.25 122.00 2gr9 h VAL 193 Ca 0.43 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2gr9 h VAL 193 Cb 0.75 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2gr9 h VAL 193 CO -0.79 0.19 0.01 1.17 0.02 0.00 0.00 177.57 178.17 2gr9 n LYS 194 N -4.84 0.00 -0.19 1.57 4.81 -0.30 0.88 118.16 120.10 2gr9 n LYS 194 Ca -0.06 0.05 0.08 0.00 -0.87 0.00 0.00 58.31 57.51 2gr9 n LYS 194 Cb 0.17 -1.51 0.16 0.00 0.02 0.00 0.00 35.03 33.87 2gr9 n LYS 194 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2gr9 n MET 195 N -1.00 2.14 0.00 1.64 2.81 -0.55 -4.96 117.12 117.19 2gr9 n MET 195 Ca 0.00 -2.48 0.00 0.00 -1.81 0.00 0.00 57.70 53.41 2gr9 n MET 195 Cb 0.01 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 30.99 2gr9 n MET 195 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gr9 n GLY 196 N -0.87 2.68 3.76 3.03 0.00 0.25 -5.04 105.19 109.00 2gr9 n GLY 196 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2gr9 n GLY 196 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gr9 s LEU 197 N 0.00 4.40 0.41 0.99 1.43 -0.87 -4.95 118.68 120.09 2gr9 s LEU 197 Ca 0.00 2.73 -0.24 0.00 -1.03 0.00 0.00 54.13 55.59 2gr9 s LEU 197 Cb 0.00 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.49 2gr9 s LEU 197 CO 0.00 -0.64 1.05 -2.16 0.23 0.00 0.00 176.35 174.84 2gr9 s PRO 198 N -1.36 4.13 0.10 1.29 0.04 -1.26 -3.76 135.00 134.19 2gr9 s PRO 198 Ca 0.53 1.52 -0.25 0.00 0.04 0.00 0.00 61.00 62.84 2gr9 s PRO 198 Cb -0.41 -2.52 -0.08 0.00 0.04 0.00 0.00 34.50 31.53 2gr9 s PRO 198 CO 0.51 -0.17 1.42 -0.09 0.04 0.00 0.00 177.00 178.71 2gr9 h ARG 199 N 2.44 -0.26 -0.78 4.56 9.65 -1.93 0.61 114.38 128.66 2gr9 h ARG 199 Ca -0.48 0.02 0.09 0.00 -1.10 0.00 0.00 59.98 58.50 2gr9 h ARG 199 Cb 1.22 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.80 2gr9 h ARG 199 CO 0.62 -0.17 0.51 -0.09 2.80 0.00 0.00 179.97 183.64 2gr9 h ARG 200 N -0.27 0.72 0.48 0.20 2.43 -1.99 0.17 114.38 116.12 2gr9 h ARG 200 Ca 0.06 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2gr9 h ARG 200 Cb 0.44 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2gr9 h ARG 200 CO -0.49 0.47 -0.23 1.25 -1.51 0.00 0.00 179.97 179.47 2gr9 h LEU 201 N 0.74 -0.55 -0.61 3.80 5.85 -1.84 -2.27 115.31 120.43 2gr9 h LEU 201 Ca 0.36 -0.06 0.12 0.00 0.84 0.00 0.00 57.88 59.14 2gr9 h LEU 201 Cb 0.41 0.14 -0.12 0.00 0.37 0.00 0.00 40.66 41.47 2gr9 h LEU 201 CO -0.13 -0.14 -0.16 0.00 -0.34 0.00 0.00 178.44 177.66 2gr9 h ALA 202 N -0.89 0.39 0.67 1.25 0.00 0.12 -1.30 119.26 119.49 2gr9 h ALA 202 Ca -0.07 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2gr9 h ALA 202 Cb 0.57 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2gr9 h ALA 202 CO 0.11 -0.44 -0.43 0.28 0.00 0.00 0.00 179.25 178.77 2gr9 h VAL 203 N -0.01 0.13 0.00 0.00 2.07 -0.77 -1.93 116.25 115.73 2gr9 h VAL 203 Ca 0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.81 2gr9 h VAL 203 Cb 0.45 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2gr9 h VAL 203 CO -0.63 0.00 0.00 0.54 0.02 0.00 0.00 177.57 177.50 2gr9 n ARG 204 N -5.56 0.13 -0.07 1.57 1.74 -0.86 -1.98 116.66 111.63 2gr9 n ARG 204 Ca -0.13 0.56 -0.19 0.00 -0.77 0.00 0.00 57.85 57.32 2gr9 n ARG 204 Cb 0.45 -1.87 -0.12 0.00 -1.02 0.00 0.00 32.46 29.89 2gr9 n ARG 204 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2gr9 h LEU 205 N 0.00 0.06 -1.65 0.55 3.38 -0.88 -2.82 115.31 113.95 2gr9 h LEU 205 Ca 0.00 -0.76 0.06 0.00 0.09 0.00 0.00 57.88 57.27 2gr9 h LEU 205 Cb 0.10 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2gr9 h LEU 205 CO 0.00 1.30 0.33 1.23 0.09 0.00 0.00 178.44 181.39 2gr9 h GLY 206 N -0.86 0.54 0.18 0.83 0.00 -1.10 0.83 103.07 103.50 2gr9 h GLY 206 Ca -0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 2gr9 h GLY 206 CO -0.08 0.14 -0.09 0.00 0.00 0.00 0.00 176.54 176.50 2gr9 h ALA 207 N 1.73 -0.76 -0.38 3.60 0.00 -1.51 -2.01 119.26 119.93 2gr9 h ALA 207 Ca 0.21 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.18 2gr9 h ALA 207 Cb 0.29 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2gr9 h ALA 207 CO -0.05 -0.74 0.62 1.96 0.00 0.00 0.00 179.25 181.04 2gr9 h GLN 208 N -0.32 0.00 0.11 0.00 1.08 -1.19 0.21 115.11 115.00 2gr9 h GLN 208 Ca -0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2gr9 h GLN 208 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2gr9 h GLN 208 CO 0.04 0.00 -0.05 0.00 -0.95 0.00 0.00 178.83 177.87 2gr9 h ALA 209 N 1.11 -0.68 0.01 3.87 0.00 0.96 -2.67 119.26 121.85 2gr9 h ALA 209 Ca 0.18 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2gr9 h ALA 209 Cb 1.43 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 2gr9 h ALA 209 CO -0.00 -0.67 -0.09 -0.07 0.00 0.00 0.00 179.25 178.42 2gr9 h LEU 210 N -0.22 -0.27 -1.21 0.00 3.38 -0.38 -1.12 115.31 115.50 2gr9 h LEU 210 Ca -0.02 0.04 0.37 0.00 0.09 0.00 0.00 57.88 58.37 2gr9 h LEU 210 Cb 0.12 0.11 -0.14 0.00 0.09 0.00 0.00 40.66 40.84 2gr9 h LEU 210 CO 0.03 -0.14 0.69 0.25 0.09 0.00 0.00 178.44 179.36 2gr9 h LEU 211 N -0.17 0.37 0.26 1.67 5.85 -0.78 0.24 115.31 122.75 2gr9 h LEU 211 Ca 0.03 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2gr9 h LEU 211 Cb 0.21 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2gr9 h LEU 211 CO -0.09 -0.16 -0.12 1.23 -0.34 0.00 0.00 178.44 178.96 2gr9 h GLY 212 N 0.20 -0.36 -0.77 3.75 0.00 -0.86 -2.75 103.07 102.27 2gr9 h GLY 212 Ca 0.77 0.13 0.37 0.00 0.00 0.00 0.00 47.33 48.60 2gr9 h GLY 212 CO -0.51 -0.13 0.54 0.00 0.00 0.00 0.00 176.54 176.44 2gr9 h ALA 213 N -1.33 2.03 0.62 3.60 0.00 -0.49 0.22 119.26 123.92 2gr9 h ALA 213 Ca -0.04 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2gr9 h ALA 213 Cb 0.27 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.32 2gr9 h ALA 213 CO 0.06 -0.76 -0.30 0.00 0.00 0.00 0.00 179.25 178.25 2gr9 h ALA 214 N 1.93 -1.07 -1.01 0.00 0.00 -1.06 -1.19 119.26 116.86 2gr9 h ALA 214 Ca 0.79 -0.18 0.26 0.00 0.00 0.00 0.00 54.91 55.77 2gr9 h ALA 214 Cb 1.94 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 19.98 2gr9 h ALA 214 CO -0.70 -1.00 0.67 -0.22 0.00 0.00 0.00 179.25 178.00 2gr9 h LYS 215 N -0.94 0.30 0.53 0.00 3.64 -0.82 0.19 116.57 119.47 2gr9 h LYS 215 Ca -0.08 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 2gr9 h LYS 215 Cb 0.64 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2gr9 h LYS 215 CO 0.14 0.20 -0.26 0.52 -2.27 0.00 0.00 179.45 177.78 2gr9 h MET 216 N 0.30 -0.69 -0.76 1.90 2.86 -0.25 -2.03 114.93 116.26 2gr9 h MET 216 Ca 0.54 0.05 0.01 0.00 -2.06 0.00 0.00 59.70 58.23 2gr9 h MET 216 Cb 1.54 0.16 -0.04 0.00 0.06 0.00 0.00 31.60 33.32 2gr9 h MET 216 CO -0.20 -0.45 0.50 1.25 1.06 0.00 0.00 176.91 179.07 2gr9 h LEU 217 N -0.74 0.88 -0.81 1.22 5.85 0.51 -2.65 115.31 119.57 2gr9 h LEU 217 Ca -0.07 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 2gr9 h LEU 217 Cb 0.56 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2gr9 h LEU 217 CO 0.12 0.64 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.62 2gr9 h LEU 218 N 1.04 0.71 -2.21 2.25 3.38 -0.80 -2.97 115.31 116.71 2gr9 h LEU 218 Ca 0.28 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2gr9 h LEU 218 Cb -0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2gr9 h LEU 218 CO -0.06 0.89 0.03 1.41 0.09 0.00 0.00 178.44 180.80 2gr9 n HIS 219 N -4.14 0.97 -3.64 1.13 8.25 -0.78 -4.83 115.22 112.18 2gr9 n HIS 219 Ca 0.01 -0.40 -0.09 0.00 -0.26 0.00 0.00 57.72 56.97 2gr9 n HIS 219 Cb 0.39 -0.31 -0.07 0.00 1.12 0.00 0.00 29.99 31.12 2gr9 n HIS 219 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2gr9 s SER 220 N -0.31 -0.85 -0.13 0.41 1.04 -1.12 -5.00 113.70 107.73 2gr9 s SER 220 Ca 0.24 1.45 0.00 0.00 0.48 0.00 0.00 55.95 58.12 2gr9 s SER 220 Cb 0.19 1.37 0.12 0.00 0.10 0.00 0.00 66.02 67.79 2gr9 s SER 220 CO 0.07 -0.24 1.73 -1.84 0.98 0.00 0.00 173.24 173.94 2gr9 n GLU 221 N 3.78 1.34 0.30 4.02 0.28 -1.26 -4.47 120.64 124.63 2gr9 n GLU 221 Ca -0.18 -0.71 -0.15 0.00 -0.16 0.00 0.00 57.16 55.96 2gr9 n GLU 221 Cb 0.58 -1.28 -0.07 0.00 1.43 0.00 0.00 31.44 32.09 2gr9 n GLU 221 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 2gr9 h GLN 222 N 0.88 -0.77 0.00 3.44 1.08 -1.94 -3.50 115.11 114.29 2gr9 h GLN 222 Ca 0.14 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 2gr9 h GLN 222 Cb 1.12 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 2gr9 h GLN 222 CO 0.32 -0.46 0.00 1.58 -0.95 0.00 0.00 178.83 179.32 2gr9 n HIS 223 N -5.34 0.00 -0.25 2.96 -0.00 -1.26 -4.68 115.22 106.66 2gr9 n HIS 223 Ca -0.11 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.54 2gr9 n HIS 223 Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.32 2gr9 n HIS 223 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2gr9 h PRO 224 N 0.00 -0.15 -0.71 1.57 0.11 -1.97 -1.04 132.00 129.80 2gr9 h PRO 224 Ca 0.00 0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.23 2gr9 h PRO 224 Cb 0.00 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.10 2gr9 h PRO 224 CO 0.00 -0.10 0.47 0.78 -0.21 0.00 0.00 178.00 178.94 2gr9 h GLY 225 N -0.16 0.81 0.29 -0.55 0.00 -1.99 -0.11 103.07 101.37 2gr9 h GLY 225 Ca 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 2gr9 h GLY 225 CO -0.75 0.12 -0.14 -1.61 0.00 0.00 0.00 176.54 174.16 2gr9 h GLN 226 N 0.55 -0.37 -1.04 4.80 5.75 -1.47 -1.30 115.11 122.03 2gr9 h GLN 226 Ca 0.33 0.03 0.26 0.00 -0.15 0.00 0.00 58.65 59.12 2gr9 h GLN 226 Cb 0.56 0.08 -0.10 0.00 1.07 0.00 0.00 27.48 29.09 2gr9 h GLN 226 CO -0.11 -0.25 0.65 -0.07 -2.65 0.00 0.00 178.83 176.40 2gr9 h LEU 227 N -0.42 0.50 0.00 -2.39 3.38 -1.34 0.11 115.31 115.15 2gr9 h LEU 227 Ca -0.04 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2gr9 h LEU 227 Cb 0.30 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2gr9 h LEU 227 CO 0.07 0.09 0.00 1.17 0.09 0.00 0.00 178.44 179.85 2gr9 n LYS 228 N -4.69 0.00 -0.34 1.13 4.81 -0.07 -1.55 118.16 117.45 2gr9 n LYS 228 Ca 0.26 0.66 0.20 0.00 -0.87 0.00 0.00 58.31 58.56 2gr9 n LYS 228 Cb 0.85 -1.46 0.38 0.00 0.02 0.00 0.00 35.03 34.82 2gr9 n LYS 228 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2gr9 h ASP 229 N 0.00 -0.25 0.00 3.14 3.32 0.04 0.74 116.42 123.42 2gr9 h ASP 229 Ca 0.00 0.28 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2gr9 h ASP 229 Cb 0.00 0.43 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2gr9 h ASP 229 CO 0.00 -0.39 0.11 0.78 -1.72 0.00 0.00 179.24 178.03 2gr9 h ASN 230 N 0.00 0.00 -0.44 6.45 4.21 0.20 -2.09 115.58 123.92 2gr9 h ASN 230 Ca 0.68 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.87 2gr9 h ASN 230 Cb 1.55 0.00 -0.24 0.00 -1.12 0.00 0.00 38.32 38.51 2gr9 h ASN 230 CO -0.89 0.00 -0.61 0.52 -1.29 0.00 0.00 177.43 175.16 2gr9 n VAL 231 N -2.48 2.43 -3.65 2.81 0.31 0.26 -4.94 118.33 113.08 2gr9 n VAL 231 Ca -0.02 -3.73 -0.29 0.00 -0.01 0.00 0.00 64.34 60.28 2gr9 n VAL 231 Cb 0.15 -0.75 -0.14 0.00 -0.91 0.00 0.00 33.84 32.20 2gr9 n VAL 231 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2gr9 s SER 232 N -3.36 3.69 0.12 4.52 0.01 -0.79 -4.78 113.70 113.10 2gr9 s SER 232 Ca 0.46 -1.84 -0.30 0.00 1.31 0.00 0.00 55.95 55.58 2gr9 s SER 232 Cb 0.40 -0.71 -0.07 0.00 0.21 0.00 0.00 66.02 65.84 2gr9 s SER 232 CO -0.01 -0.38 1.22 -0.94 0.41 0.00 0.00 173.24 173.54 2gr9 s SER 233 N 1.39 7.06 0.62 2.44 1.04 -1.26 -4.85 113.70 120.14 2gr9 s SER 233 Ca 0.12 2.13 0.23 0.00 0.48 0.00 0.00 55.95 58.92 2gr9 s SER 233 Cb -0.19 -2.59 0.99 0.00 0.10 0.00 0.00 66.02 64.32 2gr9 s SER 233 CO -0.19 -0.45 1.46 -0.65 0.98 0.00 0.00 173.24 174.40 2gr9 h PRO 234 N 6.18 0.00 0.00 4.02 0.11 -1.99 -2.97 132.00 137.35 2gr9 h PRO 234 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2gr9 h PRO 234 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2gr9 h PRO 234 CO 0.79 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.99 2gr9 n GLY 235 N -1.58 -2.65 0.00 -0.55 0.00 -1.26 -5.03 105.19 94.11 2gr9 n GLY 235 Ca 0.13 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2gr9 n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gr9 n GLY 236 N -0.44 1.05 7.00 -0.02 0.00 -1.12 -4.97 105.19 106.70 2gr9 n GLY 236 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2gr9 n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gr9 n ALA 237 N -3.00 0.00 -0.36 4.61 0.00 -1.26 -3.92 120.51 116.58 2gr9 n ALA 237 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2gr9 n ALA 237 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2gr9 n ALA 237 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2gr9 n THR 238 N 0.00 0.00 -0.48 0.00 -1.04 -1.26 -0.11 114.28 111.39 2gr9 n THR 238 Ca 0.00 1.11 0.43 0.00 -2.04 0.00 0.00 64.05 63.55 2gr9 n THR 238 Cb 0.00 -1.54 0.78 0.00 -1.82 0.00 0.00 70.33 67.75 2gr9 n THR 238 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2gr9 h ILE 239 N 0.00 0.23 -0.12 12.58 2.04 -1.87 0.90 117.51 131.27 2gr9 h ILE 239 Ca 0.00 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.67 2gr9 h ILE 239 Cb 0.00 0.23 0.01 0.00 -0.74 0.00 0.00 36.82 36.32 2gr9 h ILE 239 CO 0.00 0.00 -0.68 0.45 0.00 0.00 0.00 178.15 177.92 2gr9 h HIS 240 N 0.00 0.91 0.56 1.37 3.86 -0.77 -0.82 115.15 120.26 2gr9 h HIS 240 Ca 0.72 -0.41 -0.03 0.00 -1.16 0.00 0.00 60.37 59.49 2gr9 h HIS 240 Cb 2.92 -0.14 0.01 0.00 1.06 0.00 0.00 27.41 31.26 2gr9 h HIS 240 CO 0.00 1.23 -0.27 0.00 0.86 0.00 0.00 177.93 179.75 2gr9 h ALA 241 N 0.50 -0.75 -0.15 2.45 0.00 0.23 -2.39 119.26 119.15 2gr9 h ALA 241 Ca -0.05 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.70 2gr9 h ALA 241 Cb 1.33 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 2gr9 h ALA 241 CO 0.14 -0.91 -0.16 -0.07 0.00 0.00 0.00 179.25 178.25 2gr9 h LEU 242 N -0.78 -0.54 -1.71 0.00 3.38 -0.78 1.34 115.31 116.22 2gr9 h LEU 242 Ca -0.08 0.07 0.41 0.00 0.09 0.00 0.00 57.88 58.37 2gr9 h LEU 242 Cb 0.59 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 2gr9 h LEU 242 CO 0.13 -0.10 1.17 -0.74 0.09 0.00 0.00 178.44 178.98 2gr9 h HIS 243 N -0.09 0.00 0.09 1.13 2.76 -1.08 1.08 115.15 119.04 2gr9 h HIS 243 Ca 0.03 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.04 2gr9 h HIS 243 Cb 0.15 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.12 2gr9 h HIS 243 CO -0.71 0.00 -0.76 0.28 -1.30 0.00 0.00 177.93 175.44 2gr9 h VAL 244 N 0.00 1.44 0.04 5.26 2.07 0.21 -1.69 116.25 123.58 2gr9 h VAL 244 Ca 0.67 -2.43 0.01 0.00 0.82 0.00 0.00 66.70 65.77 2gr9 h VAL 244 Cb 3.00 3.08 -0.02 0.00 -1.52 0.00 0.00 31.29 35.83 2gr9 h VAL 244 CO -0.01 0.65 -0.10 -0.07 0.02 0.00 0.00 177.57 178.07 2gr9 h LEU 245 N -0.57 -0.28 -1.79 2.57 3.38 0.26 -0.35 115.31 118.53 2gr9 h LEU 245 Ca -0.16 0.04 0.39 0.00 0.09 0.00 0.00 57.88 58.24 2gr9 h LEU 245 Cb 1.48 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 42.26 2gr9 h LEU 245 CO 0.06 -0.15 0.93 -0.08 0.09 0.00 0.00 178.44 179.29 2gr9 h GLU 246 N -0.20 0.08 -0.02 1.13 4.57 0.10 -1.47 114.58 118.77 2gr9 h GLU 246 Ca 0.02 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2gr9 h GLU 246 Cb 0.22 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 2gr9 h GLU 246 CO -0.07 0.05 0.00 0.43 -1.18 0.00 0.00 179.01 178.24 2gr9 n SER 247 N -4.29 0.37 -1.97 1.04 7.64 -0.14 -3.21 113.62 113.06 2gr9 n SER 247 Ca 0.31 -1.31 -0.12 0.00 1.01 0.00 0.00 58.87 58.76 2gr9 n SER 247 Cb 1.36 -0.01 0.06 0.00 -1.01 0.00 0.00 64.21 64.60 2gr9 n SER 247 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gr9 n GLY 248 N 0.95 4.73 3.34 0.23 0.00 -0.56 -4.95 105.19 108.93 2gr9 n GLY 248 Ca 0.18 -1.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.05 2gr9 n GLY 248 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gr9 n GLY 249 N -0.66 -0.47 0.47 -0.02 0.00 -1.20 -4.74 105.19 98.58 2gr9 n GLY 249 Ca 0.29 0.05 0.40 0.00 0.00 0.00 0.00 46.02 46.75 2gr9 n GLY 249 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2gr9 n PHE 250 N -3.44 0.64 0.23 1.61 7.35 -1.17 0.10 117.46 122.78 2gr9 n PHE 250 Ca 0.02 0.65 -0.12 0.00 -0.76 0.00 0.00 57.45 57.23 2gr9 n PHE 250 Cb 0.51 -1.09 -0.07 0.00 0.35 0.00 0.00 39.48 39.18 2gr9 n PHE 250 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2gr9 h ARG 251 N 0.00 -0.61 -0.16 -4.13 3.08 -1.87 -3.15 114.38 107.54 2gr9 h ARG 251 Ca 0.86 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.99 2gr9 h ARG 251 Cb 2.81 0.14 -0.07 0.00 0.08 0.00 0.00 29.97 32.94 2gr9 h ARG 251 CO -0.43 -0.32 -0.51 0.66 -1.07 0.00 0.00 179.97 178.30 2gr9 h SER 252 N -1.05 -1.62 -1.66 7.04 4.64 -0.69 0.17 113.55 120.37 2gr9 h SER 252 Ca -0.06 0.20 0.48 0.00 -0.47 0.00 0.00 61.79 61.94 2gr9 h SER 252 Cb 0.57 0.64 -0.07 0.00 -0.31 0.00 0.00 62.40 63.24 2gr9 h SER 252 CO 0.11 -0.46 1.24 -0.07 -0.87 0.00 0.00 176.83 176.77 2gr9 h LEU 253 N -0.54 0.00 0.01 5.97 3.38 -1.32 1.19 115.31 124.00 2gr9 h LEU 253 Ca 0.05 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.78 2gr9 h LEU 253 Cb 0.66 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 2gr9 h LEU 253 CO -0.44 0.00 -1.28 -0.07 0.09 0.00 0.00 178.44 176.74 2gr9 h LEU 254 N 0.00 0.04 0.55 1.67 3.38 -0.64 -2.80 115.31 117.51 2gr9 h LEU 254 Ca 0.79 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.68 2gr9 h LEU 254 Cb 3.25 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 44.00 2gr9 h LEU 254 CO -0.01 1.05 -0.26 0.40 0.09 0.00 0.00 178.44 179.70 2gr9 h ILE 255 N 0.01 0.00 -0.78 1.22 1.08 0.19 -3.09 117.51 116.13 2gr9 h ILE 255 Ca -0.12 -0.41 0.26 0.00 -0.39 0.00 0.00 64.86 64.20 2gr9 h ILE 255 Cb 1.87 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 35.48 2gr9 h ILE 255 CO 0.12 0.00 0.18 0.59 -0.69 0.00 0.00 178.15 178.35 2gr9 n ASN 256 N -5.12 0.06 0.00 1.72 4.13 0.57 -0.58 115.26 116.04 2gr9 n ASN 256 Ca -0.09 1.32 0.00 0.00 1.68 0.00 0.00 54.58 57.49 2gr9 n ASN 256 Cb 0.29 -0.55 0.00 0.00 -1.54 0.00 0.00 39.78 37.99 2gr9 n ASN 256 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2gr9 n ALA 257 N -2.93 0.00 -0.17 5.41 0.00 -1.06 -1.74 120.51 120.03 2gr9 n ALA 257 Ca 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.63 2gr9 n ALA 257 Cb 0.77 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.19 2gr9 n ALA 257 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2gr9 n VAL 258 N -0.49 -0.26 -0.09 0.00 0.31 -0.77 0.44 118.33 117.47 2gr9 n VAL 258 Ca 0.00 0.97 -0.05 0.00 -0.01 0.00 0.00 64.34 65.25 2gr9 n VAL 258 Cb 0.00 -1.21 -0.04 0.00 -0.91 0.00 0.00 33.84 31.68 2gr9 n VAL 258 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2gr9 h GLU 259 N 0.00 -0.11 -0.95 5.55 4.81 -0.89 -0.55 114.58 122.43 2gr9 h GLU 259 Ca 0.08 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.48 2gr9 h GLU 259 Cb 0.18 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.48 2gr9 h GLU 259 CO -0.38 -0.07 0.56 0.00 -0.73 0.00 0.00 179.01 178.38 2gr9 h ALA 260 N -0.68 1.53 -0.42 2.92 0.00 0.86 -0.68 119.26 122.78 2gr9 h ALA 260 Ca 0.04 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2gr9 h ALA 260 Cb 0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2gr9 h ALA 260 CO -0.28 -0.04 0.19 1.03 0.00 0.00 0.00 179.25 180.16 2gr9 h SER 261 N 0.74 0.57 0.43 0.00 0.87 0.04 -0.77 113.55 115.42 2gr9 h SER 261 Ca 0.53 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.93 2gr9 h SER 261 Cb 0.78 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2gr9 h SER 261 CO -0.37 0.55 -0.23 0.00 -0.53 0.00 0.00 176.83 176.26 2gr9 h ILE 263 N -0.61 0.03 -0.53 0.00 1.08 -1.15 0.64 117.51 116.97 2gr9 h ILE 263 Ca -0.06 -0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.40 2gr9 h ILE 263 Cb 0.48 0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.22 2gr9 h ILE 263 CO 0.08 0.00 0.28 -0.09 -0.69 0.00 0.00 178.15 177.73 2gr9 h ARG 264 N 0.01 0.74 0.00 2.37 9.65 -1.00 0.16 114.38 126.31 2gr9 h ARG 264 Ca 0.52 -0.09 -0.00 0.00 -1.10 0.00 0.00 59.98 59.31 2gr9 h ARG 264 Cb 0.94 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 29.37 2gr9 h ARG 264 CO -0.96 0.58 -0.02 1.15 2.80 0.00 0.00 179.97 183.52 2gr9 h THR 265 N 0.71 0.25 0.00 0.20 2.02 0.15 -0.61 112.91 115.63 2gr9 h THR 265 Ca 0.19 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.21 2gr9 h THR 265 Cb 0.06 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2gr9 h THR 265 CO -0.03 0.02 -0.04 0.03 0.37 0.00 0.00 175.52 175.87 2gr9 h ARG 266 N 0.00 0.00 0.00 6.66 3.08 0.64 -3.16 114.38 121.60 2gr9 h ARG 266 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2gr9 h ARG 266 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2gr9 h ARG 266 CO 0.00 0.00 0.02 0.39 -1.07 0.00 0.00 179.97 179.32 2gr9 n GLU 267 N -2.71 0.00 -0.09 0.04 1.02 0.39 0.95 120.64 120.24 2gr9 n GLU 267 Ca -0.01 0.02 -0.15 0.00 -0.02 0.00 0.00 57.16 57.01 2gr9 n GLU 267 Cb 0.02 -1.52 -0.07 0.00 -0.02 0.00 0.00 31.44 29.85 2gr9 n GLU 267 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2gr9 n LEU 268 N -0.80 1.84 -0.08 -4.62 7.94 -0.25 -4.32 117.00 116.71 2gr9 n LEU 268 Ca 0.00 0.51 -0.13 0.00 -1.11 0.00 0.00 56.01 55.27 2gr9 n LEU 268 Cb 0.02 -0.91 -0.02 0.00 0.53 0.00 0.00 43.42 43.04 2gr9 n LEU 268 CO 0.00 -0.04 0.48 -0.61 -1.11 0.00 0.00 177.39 176.11 2gr9 h GLN 269 N -1.00 0.86 0.00 1.96 5.75 0.62 -3.13 115.11 120.17 2gr9 h GLN 269 Ca -0.21 -0.51 0.00 0.00 -0.15 0.00 0.00 58.65 57.78 2gr9 h GLN 269 Cb 0.98 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.58 2gr9 h GLN 269 CO -0.13 1.15 0.00 0.43 -2.65 0.00 0.00 178.83 177.63 2gr9 n SER 270 N -4.02 0.00 0.00 -0.69 7.64 0.20 0.31 113.62 117.07 2gr9 n SER 270 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2gr9 n SER 270 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 2gr9 n SER 270 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 2gr9 n MET 271 N -0.61 0.00 0.03 1.43 -0.00 -1.19 -4.70 117.12 112.08 2gr9 n MET 271 Ca 0.00 -0.14 0.12 0.00 -0.00 0.00 0.00 57.70 57.68 2gr9 n MET 271 Cb 0.00 -0.28 0.13 0.00 -0.00 0.00 0.00 33.22 33.07 2gr9 n MET 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2gr9 n ALA 272 N 0.00 3.25 0.10 3.17 0.00 0.15 -3.10 120.51 124.09 2gr9 n ALA 272 Ca 0.00 -0.33 0.05 0.00 0.00 0.00 0.00 53.44 53.16 2gr9 n ALA 272 Cb 0.38 -1.08 -0.08 0.00 0.00 0.00 0.00 19.45 18.67 2gr9 n ALA 272 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2gr9 n ASP 273 N -1.92 2.13 0.00 0.00 5.68 -1.19 -4.81 116.55 116.44 2gr9 n ASP 273 Ca 0.03 -0.16 0.00 0.00 -0.50 0.00 0.00 54.79 54.16 2gr9 n ASP 273 Cb 0.42 1.38 0.00 0.00 -1.14 0.00 0.00 41.12 41.77 2gr9 n ASP 273 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gr9 n GLN 274 N -1.73 0.00 0.00 0.11 6.02 -1.25 -5.17 117.38 115.35 2gr9 n GLN 274 Ca -0.01 0.15 0.16 0.00 -0.01 0.00 0.00 57.00 57.29 2gr9 n GLN 274 Cb 0.25 -0.56 0.93 0.00 1.02 0.00 0.00 30.24 31.88 2gr9 n GLN 274 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44