#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 2.86 3.77 -0.13 0.00 -1.26 -5.00 105.19 105.44 2gr9 n GLY 0 Ca 0.00 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.33 4.08 0.15 1.61 0.00 -1.26 -5.07 119.30 117.48 2gr9 s MET 1 Ca 0.35 1.70 0.03 0.00 0.00 0.00 0.00 55.69 57.76 2gr9 s MET 1 Cb 0.20 -2.60 -0.04 0.00 0.00 0.00 0.00 34.83 32.39 2gr9 s MET 1 CO 0.20 -0.26 -0.05 -1.12 0.00 0.00 0.00 175.02 173.79 2gr9 s SER 2 N -1.33 1.44 0.08 1.11 0.01 -1.26 -5.05 113.70 108.70 2gr9 s SER 2 Ca 0.58 -1.08 0.02 0.00 1.31 0.00 0.00 55.95 56.77 2gr9 s SER 2 Cb -0.27 0.06 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 2gr9 s SER 2 CO 0.34 -0.46 -0.06 -0.69 0.41 0.00 0.00 173.24 172.77 2gr9 s VAL 3 N -3.52 0.62 0.00 3.43 1.01 -1.09 -2.19 120.40 118.66 2gr9 s VAL 3 Ca 0.19 -1.77 -0.14 0.00 0.00 0.00 0.00 61.98 60.26 2gr9 s VAL 3 Cb 0.05 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.98 2gr9 s VAL 3 CO 0.01 -0.80 0.29 -0.83 0.00 0.00 0.00 175.10 173.77 2gr9 s GLY 4 N -2.76 -0.12 -0.19 4.51 0.00 -1.10 -2.09 107.32 105.58 2gr9 s GLY 4 Ca 0.07 0.19 -0.01 0.00 0.00 0.00 0.00 44.72 44.97 2gr9 s GLY 4 CO -0.04 -0.02 -0.14 -1.36 0.00 0.00 0.00 173.10 171.54 2gr9 s PHE 5 N -1.63 2.83 -0.63 1.90 0.40 0.40 -1.86 117.98 119.39 2gr9 s PHE 5 Ca -0.12 -1.31 -0.27 0.00 -0.60 0.00 0.00 56.93 54.63 2gr9 s PHE 5 Cb -0.04 -1.97 -0.00 0.00 0.51 0.00 0.00 43.02 41.51 2gr9 s PHE 5 CO 0.02 -0.66 1.66 0.42 0.70 0.00 0.00 175.22 177.36 2gr9 s ILE 6 N 1.25 3.50 0.00 0.64 -1.09 0.21 -0.87 121.20 124.84 2gr9 s ILE 6 Ca 0.03 0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 2gr9 s ILE 6 Cb -0.14 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.50 2gr9 s ILE 6 CO -0.07 -1.17 0.00 0.61 -1.23 0.00 0.00 174.94 173.08 2gr9 n GLY 7 N 5.56 1.33 0.00 6.18 0.00 -1.20 -3.28 105.19 113.79 2gr9 n GLY 7 Ca 0.15 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 1.40 0.00 0.00 4.61 0.00 -0.99 -4.30 120.51 121.23 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 5.00 1.40 0.02 0.00 0.00 -1.26 -4.23 105.19 106.12 2gr9 n GLY 9 Ca 0.00 -1.91 -0.01 0.00 0.00 0.00 0.00 46.02 44.11 2gr9 n GLY 9 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2gr9 h GLN 10 N 0.00 -0.02 0.00 1.61 1.08 -1.97 0.20 115.11 116.01 2gr9 h GLN 10 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2gr9 h GLN 10 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2gr9 h GLN 10 CO 0.00 -0.01 0.48 1.25 -0.95 0.00 0.00 178.83 179.60 2gr9 h LEU 11 N -0.02 0.00 0.04 1.46 5.85 -1.96 0.29 115.31 120.96 2gr9 h LEU 11 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2gr9 h LEU 11 Cb 0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2gr9 h LEU 11 CO -0.02 0.00 -0.02 0.00 -0.34 0.00 0.00 178.44 178.06 2gr9 h ALA 12 N 0.95 -0.20 -0.84 1.25 0.00 -0.84 -3.18 119.26 116.40 2gr9 h ALA 12 Ca 0.00 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.07 2gr9 h ALA 12 Cb 0.97 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 2gr9 h ALA 12 CO 0.00 -0.20 0.39 0.35 0.00 0.00 0.00 179.25 179.78 2gr9 h PHE 13 N -0.19 0.66 -0.01 0.00 3.57 0.12 0.64 116.94 121.72 2gr9 h PHE 13 Ca -0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2gr9 h PHE 13 Cb 0.04 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 2gr9 h PHE 13 CO 0.04 0.08 -0.01 0.00 -2.23 0.00 0.00 178.31 176.19 2gr9 h ALA 14 N 1.60 -0.29 -0.11 2.41 0.00 -0.62 0.23 119.26 122.48 2gr9 h ALA 14 Ca 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 2gr9 h ALA 14 Cb 0.77 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2gr9 h ALA 14 CO -0.42 -0.30 -0.01 -0.07 0.00 0.00 0.00 179.25 178.45 2gr9 h LEU 15 N -0.01 0.14 -0.01 0.00 3.38 -1.46 -1.65 115.31 115.70 2gr9 h LEU 15 Ca 0.00 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2gr9 h LEU 15 Cb 0.01 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2gr9 h LEU 15 CO -0.01 0.18 -0.14 0.00 0.09 0.00 0.00 178.44 178.56 2gr9 h ALA 16 N 1.84 -0.16 -0.04 1.53 0.00 0.48 0.84 119.26 123.75 2gr9 h ALA 16 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2gr9 h ALA 16 Cb 0.13 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2gr9 h ALA 16 CO 0.00 -0.63 -0.02 -0.22 0.00 0.00 0.00 179.25 178.38 2gr9 h LYS 17 N -0.23 0.09 0.00 0.00 3.64 -0.21 -2.75 116.57 117.11 2gr9 h LYS 17 Ca 0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2gr9 h LYS 17 Cb 0.30 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2gr9 h LYS 17 CO -0.14 0.49 0.00 0.41 -2.27 0.00 0.00 179.45 177.94 2gr9 n GLY 18 N 0.04 -2.92 0.32 5.01 0.00 -0.65 0.14 105.19 107.12 2gr9 n GLY 18 Ca -0.08 0.38 0.09 0.00 0.00 0.00 0.00 46.02 46.41 2gr9 n GLY 18 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2gr9 n PHE 19 N -2.47 0.43 0.00 1.61 0.99 0.27 0.15 117.46 118.45 2gr9 n PHE 19 Ca 0.00 1.09 -0.12 0.00 -0.00 0.00 0.00 57.45 58.42 2gr9 n PHE 19 Cb 0.00 -1.09 -0.09 0.00 -1.00 0.00 0.00 39.48 37.30 2gr9 n PHE 19 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.76 178.55 2gr9 h THR 20 N 0.00 1.23 -0.57 4.37 1.35 -1.09 0.32 112.91 118.53 2gr9 h THR 20 Ca 0.48 -1.39 0.01 0.00 -0.55 0.00 0.00 66.41 64.96 2gr9 h THR 20 Cb 0.86 2.09 -0.03 0.00 -1.73 0.00 0.00 68.15 69.34 2gr9 h THR 20 CO -0.89 0.33 0.38 0.00 -0.25 0.00 0.00 175.52 175.08 2gr9 h ALA 21 N 0.05 1.60 0.00 6.62 0.00 0.27 0.65 119.26 128.46 2gr9 h ALA 21 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2gr9 h ALA 21 Cb 0.60 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2gr9 h ALA 21 CO 0.02 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.63 2gr9 n ALA 22 N -2.45 2.14 -2.86 0.00 0.00 0.40 -4.84 120.51 112.90 2gr9 n ALA 22 Ca 0.06 -0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.23 2gr9 n ALA 22 Cb 0.05 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 18.23 2gr9 n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gr9 n GLY 23 N 0.17 -0.13 0.14 0.00 0.00 0.23 -4.95 105.19 100.66 2gr9 n GLY 23 Ca 0.13 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.11 1.01 -1.83 1.61 2.07 -1.05 -3.49 116.25 113.47 2gr9 h VAL 24 Ca -0.37 -2.54 -0.01 0.00 0.82 0.00 0.00 66.70 64.60 2gr9 h VAL 24 Cb 1.25 2.83 -0.21 0.00 -1.52 0.00 0.00 31.29 33.64 2gr9 h VAL 24 CO 0.39 0.84 0.33 -1.48 0.02 0.00 0.00 177.57 177.67 2gr9 s LEU 25 N -7.38 -0.55 0.58 2.57 2.34 -1.25 -5.05 118.68 109.95 2gr9 s LEU 25 Ca -0.15 0.61 -0.19 0.00 0.06 0.00 0.00 54.13 54.46 2gr9 s LEU 25 Cb 0.05 2.28 -0.06 0.00 -0.56 0.00 0.00 46.19 47.90 2gr9 s LEU 25 CO 0.87 -0.50 0.87 0.00 -1.06 0.00 0.00 176.35 176.52 2gr9 n ALA 26 N 0.86 -0.13 0.00 1.48 0.00 -1.26 -4.33 120.51 117.13 2gr9 n ALA 26 Ca -0.16 0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 2gr9 n ALA 26 Cb 0.57 -2.04 0.24 0.00 0.00 0.00 0.00 19.45 18.22 2gr9 n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gr9 h ALA 27 N 0.50 1.22 0.00 0.00 0.00 -1.94 -2.30 119.26 116.73 2gr9 h ALA 27 Ca -0.47 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2gr9 h ALA 27 Cb 1.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2gr9 h ALA 27 CO 0.50 0.51 0.00 -2.39 0.00 0.00 0.00 179.25 177.87 2gr9 n HIS 28 N -4.20 0.00 -1.54 0.00 1.44 -1.26 -0.01 115.22 109.66 2gr9 n HIS 28 Ca 0.01 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.58 2gr9 n HIS 28 Cb 0.33 0.00 0.15 0.00 0.12 0.00 0.00 29.99 30.59 2gr9 n HIS 28 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2gr9 n LYS 29 N -0.88 2.31 -3.78 -1.40 4.81 -0.86 -4.69 118.16 113.67 2gr9 n LYS 29 Ca 0.11 -3.38 -0.15 0.00 -0.87 0.00 0.00 58.31 54.02 2gr9 n LYS 29 Cb 0.05 -2.00 -0.16 0.00 0.02 0.00 0.00 35.03 32.95 2gr9 n LYS 29 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2gr9 s ILE 30 N -3.73 -0.05 -0.08 3.15 1.01 -1.02 -2.68 121.20 117.80 2gr9 s ILE 30 Ca 0.50 0.19 0.04 0.00 0.00 0.00 0.00 60.65 61.38 2gr9 s ILE 30 Cb 0.43 -0.08 -0.00 0.00 0.01 0.00 0.00 42.46 42.81 2gr9 s ILE 30 CO 0.01 0.08 -0.22 -0.04 0.00 0.00 0.00 174.94 174.77 2gr9 s MET 31 N 0.97 2.58 -0.06 2.79 -1.94 -0.89 -0.20 119.30 122.55 2gr9 s MET 31 Ca -0.08 -0.78 0.05 0.00 -1.71 0.00 0.00 55.69 53.17 2gr9 s MET 31 Cb -0.12 -2.04 -0.01 0.00 2.01 0.00 0.00 34.83 34.67 2gr9 s MET 31 CO -0.03 0.21 -0.21 0.00 -0.01 0.00 0.00 175.02 174.98 2gr9 s ALA 32 N 0.25 2.33 -0.02 3.03 0.00 -0.86 0.15 121.76 126.63 2gr9 s ALA 32 Ca -0.13 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 50.51 2gr9 s ALA 32 Cb -0.16 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 2gr9 s ALA 32 CO 0.06 0.43 1.11 -1.12 0.00 0.00 0.00 175.76 176.24 2gr9 s SER 33 N -0.23 7.18 -1.13 0.00 0.01 -0.05 -2.70 113.70 116.78 2gr9 s SER 33 Ca -0.01 1.78 -0.14 0.00 1.31 0.00 0.00 55.95 58.89 2gr9 s SER 33 Cb -0.13 -2.57 0.18 0.00 0.21 0.00 0.00 66.02 63.71 2gr9 s SER 33 CO 0.03 -0.44 1.31 -0.55 0.41 0.00 0.00 173.24 174.00 2gr9 s SER 34 N 1.18 7.00 0.00 2.44 0.15 0.11 -2.35 113.70 122.22 2gr9 s SER 34 Ca 0.54 -2.86 0.18 0.00 0.70 0.00 0.00 55.95 54.52 2gr9 s SER 34 Cb -0.24 -2.37 0.91 0.00 -1.71 0.00 0.00 66.02 62.61 2gr9 s SER 34 CO 0.25 -0.76 1.57 -0.81 1.20 0.00 0.00 173.24 174.69 2gr9 n PRO 35 N 5.46 0.22 0.00 5.44 -0.04 -1.26 -4.32 135.00 140.50 2gr9 n PRO 35 Ca 0.32 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 2gr9 n PRO 35 Cb 0.44 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 2gr9 n PRO 35 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2gr9 n ASP 36 N -1.32 0.78 -2.75 3.54 -0.08 -1.26 -5.13 116.55 110.33 2gr9 n ASP 36 Ca 0.08 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.32 2gr9 n ASP 36 Cb 0.16 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.63 2gr9 n ASP 36 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 2gr9 s MET 37 N 4.16 0.81 -0.20 -0.67 -2.45 -1.26 -5.04 119.30 114.65 2gr9 s MET 37 Ca 0.00 -0.79 -0.10 0.00 -1.25 0.00 0.00 55.69 53.55 2gr9 s MET 37 Cb 0.00 -0.03 -0.05 0.00 1.25 0.00 0.00 34.83 36.00 2gr9 s MET 37 CO 0.00 -1.01 0.12 -0.51 1.05 0.00 0.00 175.02 174.67 2gr9 s ASP 38 N 0.94 6.13 0.37 1.11 1.01 -1.26 -4.89 116.67 120.08 2gr9 s ASP 38 Ca 0.28 0.21 0.20 0.00 0.71 0.00 0.00 52.55 53.94 2gr9 s ASP 38 Cb 0.04 -2.07 0.43 0.00 1.01 0.00 0.00 42.92 42.32 2gr9 s ASP 38 CO -0.07 0.18 1.61 0.17 0.21 0.00 0.00 175.17 177.27 2gr9 h LEU 39 N 6.69 0.00 0.00 1.23 -0.00 -1.98 0.27 115.31 121.52 2gr9 h LEU 39 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 2gr9 h LEU 39 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 2gr9 h LEU 39 CO 0.75 0.31 0.00 0.00 -0.00 0.00 0.00 178.44 179.50 2gr9 n ALA 40 N -2.20 1.87 -1.14 0.17 0.00 -1.26 -4.15 120.51 113.79 2gr9 n ALA 40 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2gr9 n ALA 40 Cb 0.59 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.00 0.00 -0.05 0.00 -1.04 -0.66 -4.75 114.28 106.77 2gr9 n THR 41 Ca 0.08 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.07 2gr9 n THR 41 Cb 0.04 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.54 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 0.00 -0.09 0.05 12.58 0.31 0.71 0.24 118.33 132.13 2gr9 n VAL 42 Ca 0.00 0.32 -0.12 0.00 -0.01 0.00 0.00 64.34 64.52 2gr9 n VAL 42 Cb 0.00 -0.40 -0.08 0.00 -0.91 0.00 0.00 33.84 32.46 2gr9 n VAL 42 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2gr9 h SER 43 N 0.00 -1.28 -0.89 4.52 0.02 -1.09 -1.15 113.55 113.69 2gr9 h SER 43 Ca 0.02 0.14 0.23 0.00 -0.84 0.00 0.00 61.79 61.35 2gr9 h SER 43 Cb 0.06 0.48 -0.14 0.00 0.14 0.00 0.00 62.40 62.94 2gr9 h SER 43 CO -0.12 -0.41 0.31 0.00 -1.14 0.00 0.00 176.83 175.46 2gr9 h ALA 44 N -0.69 1.37 0.00 3.77 0.00 -0.37 1.01 119.26 124.35 2gr9 h ALA 44 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2gr9 h ALA 44 Cb 0.56 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2gr9 h ALA 44 CO -0.27 -0.44 0.14 -0.07 0.00 0.00 0.00 179.25 178.62 2gr9 h LEU 45 N 0.28 0.00 0.00 0.00 3.38 -0.59 -2.66 115.31 115.71 2gr9 h LEU 45 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.53 2gr9 h LEU 45 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2gr9 h LEU 45 CO -0.61 0.00 -0.05 0.03 0.09 0.00 0.00 178.44 177.91 2gr9 h ARG 46 N 0.00 0.00 0.00 1.13 3.08 0.14 -3.31 114.38 115.42 2gr9 h ARG 46 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2gr9 h ARG 46 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2gr9 h ARG 46 CO 0.00 0.00 0.11 1.63 -1.07 0.00 0.00 179.97 180.64 2gr9 n LYS 47 N -4.12 0.00 -2.38 0.04 5.02 -1.08 -0.59 118.16 115.04 2gr9 n LYS 47 Ca -0.01 0.30 -0.30 0.00 -2.02 0.00 0.00 58.31 56.29 2gr9 n LYS 47 Cb 0.02 -1.61 0.01 0.00 -0.02 0.00 0.00 35.03 33.43 2gr9 n LYS 47 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 2gr9 n MET 48 N -1.28 3.30 0.00 1.97 1.56 -1.02 -5.06 117.12 116.58 2gr9 n MET 48 Ca 0.00 -4.31 0.00 0.00 -0.27 0.00 0.00 57.70 53.12 2gr9 n MET 48 Cb 0.11 -2.26 0.00 0.00 2.15 0.00 0.00 33.22 33.23 2gr9 n MET 48 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2gr9 n GLY 49 N -0.48 3.08 2.19 -5.12 0.00 0.24 -4.78 105.19 100.32 2gr9 n GLY 49 Ca 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 -8.64 -2.11 1.61 0.31 0.99 -4.03 118.33 106.45 2gr9 n VAL 50 Ca 0.00 2.06 -0.35 0.00 -0.01 0.00 0.00 64.34 66.04 2gr9 n VAL 50 Cb 0.00 -4.35 0.02 0.00 -0.91 0.00 0.00 33.84 28.60 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 -0.38 3.15 -0.22 5.55 1.02 0.72 -4.59 119.74 125.00 2gr9 s LYS 51 Ca 0.00 1.66 -0.01 0.00 0.02 0.00 0.00 55.97 57.64 2gr9 s LYS 51 Cb 0.00 -1.97 0.06 0.00 -0.52 0.00 0.00 37.83 35.40 2gr9 s LYS 51 CO 0.00 -1.02 -0.00 -0.51 -0.92 0.00 0.00 175.35 172.90 2gr9 s LEU 52 N -4.02 1.91 -0.18 3.17 1.43 -1.26 -2.04 118.68 117.69 2gr9 s LEU 52 Ca 0.74 -1.04 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 2gr9 s LEU 52 Cb -0.26 -0.89 -0.00 0.00 0.03 0.00 0.00 46.19 45.07 2gr9 s LEU 52 CO 0.31 -0.28 -0.11 -0.89 0.23 0.00 0.00 176.35 175.61 2gr9 s THR 53 N 1.62 2.91 -1.54 5.49 2.01 -1.10 -4.90 115.64 120.14 2gr9 s THR 53 Ca -0.03 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.36 2gr9 s THR 53 Cb -0.18 -2.27 0.10 0.00 0.01 0.00 0.00 72.50 70.16 2gr9 s THR 53 CO -0.08 0.48 0.97 -0.81 -0.69 0.00 0.00 174.62 174.49 2gr9 n PRO 54 N 4.39 0.09 -3.70 4.92 -0.04 -1.26 0.09 135.00 139.50 2gr9 n PRO 54 Ca -0.19 0.19 -0.38 0.00 -0.04 0.00 0.00 63.50 63.09 2gr9 n PRO 54 Cb 0.51 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 2gr9 n PRO 54 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2gr9 s HIS 55 N -2.46 3.14 -1.05 0.54 3.76 -1.26 -4.26 115.29 113.70 2gr9 s HIS 55 Ca 0.06 -0.50 0.04 0.00 -0.15 0.00 0.00 55.06 54.51 2gr9 s HIS 55 Cb 0.04 -2.30 0.20 0.00 1.11 0.00 0.00 32.58 31.62 2gr9 s HIS 55 CO 0.08 -0.41 1.13 0.09 -0.85 0.00 0.00 174.74 174.77 2gr9 n ASN 56 N 4.96 0.00 -0.08 1.40 3.02 -1.26 -2.47 115.26 120.83 2gr9 n ASN 56 Ca -0.15 0.47 -0.14 0.00 -0.03 0.00 0.00 54.58 54.73 2gr9 n ASN 56 Cb 0.50 -0.48 -0.09 0.00 -0.61 0.00 0.00 39.78 39.10 2gr9 n ASN 56 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2gr9 h LYS 57 N 0.00 0.00 -0.85 3.52 -0.00 -1.93 -3.07 116.57 114.24 2gr9 h LYS 57 Ca 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 60.65 60.85 2gr9 h LYS 57 Cb 0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 32.23 32.25 2gr9 h LYS 57 CO 0.00 0.72 0.57 1.49 -0.00 0.00 0.00 179.45 182.23 2gr9 h GLU 58 N -1.00 0.30 0.35 0.07 4.81 -1.88 -1.06 114.58 116.16 2gr9 h GLU 58 Ca -0.15 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 2gr9 h GLU 58 Cb 0.94 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.25 2gr9 h GLU 58 CO -0.09 0.20 -0.17 1.15 -0.73 0.00 0.00 179.01 179.37 2gr9 h THR 59 N 0.31 0.00 -0.72 0.32 2.02 -1.65 -1.97 112.91 111.22 2gr9 h THR 59 Ca 0.43 -0.06 0.16 0.00 0.77 0.00 0.00 66.41 67.71 2gr9 h THR 59 Cb 1.19 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.47 2gr9 h THR 59 CO -0.13 0.00 -0.07 0.58 0.37 0.00 0.00 175.52 176.27 2gr9 h VAL 60 N -0.52 0.33 -0.13 3.16 2.07 -1.22 0.20 116.25 120.13 2gr9 h VAL 60 Ca -0.05 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.49 2gr9 h VAL 60 Cb 0.36 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 2gr9 h VAL 60 CO 0.08 0.01 -0.09 1.56 0.02 0.00 0.00 177.57 179.15 2gr9 h GLN 61 N 0.06 -0.09 0.00 1.57 4.20 -1.27 -2.47 115.11 117.11 2gr9 h GLN 61 Ca 0.37 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.06 2gr9 h GLN 61 Cb 0.62 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 2gr9 h GLN 61 CO -0.68 -0.06 -0.13 1.25 -0.67 0.00 0.00 178.83 178.55 2gr9 h HIS 62 N -0.09 0.00 -3.10 2.96 2.76 -0.21 -3.45 115.15 114.03 2gr9 h HIS 62 Ca 0.08 0.00 -0.59 0.00 -2.20 0.00 0.00 60.37 57.66 2gr9 h HIS 62 Cb 0.21 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.13 2gr9 h HIS 62 CO -0.22 0.13 -0.21 -1.54 -1.30 0.00 0.00 177.93 174.78 2gr9 s SER 63 N -6.51 6.72 -0.22 3.26 1.04 0.52 -4.74 113.70 113.76 2gr9 s SER 63 Ca -0.04 0.89 -0.02 0.00 0.48 0.00 0.00 55.95 57.26 2gr9 s SER 63 Cb 0.15 -2.22 -0.19 0.00 0.10 0.00 0.00 66.02 63.86 2gr9 s SER 63 CO 0.63 0.22 -0.08 0.47 0.98 0.00 0.00 173.24 175.46 2gr9 n ASP 64 N 1.23 2.01 -4.20 7.02 9.92 -0.93 -4.79 116.55 126.80 2gr9 n ASP 64 Ca -0.10 -0.02 -0.35 0.00 -0.53 0.00 0.00 54.79 53.79 2gr9 n ASP 64 Cb 0.52 -0.56 -0.14 0.00 -0.64 0.00 0.00 41.12 40.31 2gr9 n ASP 64 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2gr9 s VAL 65 N -2.53 3.10 -0.30 2.53 1.01 -1.07 -2.19 120.40 120.96 2gr9 s VAL 65 Ca -0.32 -1.19 -0.09 0.00 0.00 0.00 0.00 61.98 60.38 2gr9 s VAL 65 Cb 0.09 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 2gr9 s VAL 65 CO 0.64 -0.00 0.14 -0.22 0.00 0.00 0.00 175.10 175.66 2gr9 s LEU 66 N 1.31 4.01 -0.09 3.92 2.96 -0.82 -2.70 118.68 127.27 2gr9 s LEU 66 Ca -0.03 -0.45 -0.19 0.00 -0.22 0.00 0.00 54.13 53.24 2gr9 s LEU 66 Cb -0.19 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 2gr9 s LEU 66 CO -0.01 -0.16 0.54 -0.36 -1.32 0.00 0.00 176.35 175.03 2gr9 s PHE 67 N 1.62 3.56 -0.52 5.38 0.40 -0.77 0.13 117.98 127.78 2gr9 s PHE 67 Ca 0.05 1.01 -0.12 0.00 -0.60 0.00 0.00 56.93 57.27 2gr9 s PHE 67 Cb -0.17 -2.60 0.13 0.00 0.51 0.00 0.00 43.02 40.89 2gr9 s PHE 67 CO 0.06 0.19 0.43 -0.51 0.70 0.00 0.00 175.22 176.10 2gr9 s LEU 68 N 0.49 5.96 -0.56 -0.37 1.43 0.23 -0.62 118.68 125.23 2gr9 s LEU 68 Ca 0.29 -1.91 0.04 0.00 -1.03 0.00 0.00 54.13 51.52 2gr9 s LEU 68 Cb -0.16 -2.10 0.16 0.00 0.03 0.00 0.00 46.19 44.12 2gr9 s LEU 68 CO 0.13 -0.76 0.39 0.00 0.23 0.00 0.00 176.35 176.35 2gr9 s ALA 69 N 1.39 2.74 0.00 4.21 0.00 -1.20 -2.33 121.76 126.56 2gr9 s ALA 69 Ca 0.05 -3.16 0.03 0.00 0.00 0.00 0.00 51.96 48.88 2gr9 s ALA 69 Cb -0.27 -1.93 0.05 0.00 0.00 0.00 0.00 23.12 20.97 2gr9 s ALA 69 CO 0.01 -2.05 0.93 0.28 0.00 0.00 0.00 175.76 174.93 2gr9 n VAL 70 N 2.55 0.00 0.00 0.00 0.31 -1.26 -4.62 118.33 115.31 2gr9 n VAL 70 Ca 0.21 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2gr9 n VAL 70 Cb 0.39 0.47 0.00 0.00 -0.91 0.00 0.00 33.84 33.79 2gr9 n VAL 70 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2gr9 n LYS 71 N 0.06 0.00 -0.25 5.55 5.02 -1.26 -4.48 118.16 122.79 2gr9 n LYS 71 Ca -0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.32 2gr9 n LYS 71 Cb 0.72 0.00 0.27 0.00 -0.02 0.00 0.00 35.03 36.00 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 0.00 0.94 -1.67 1.97 0.11 -1.94 -2.60 132.00 128.81 2gr9 h PRO 72 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2gr9 h PRO 72 Cb 0.00 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 30.90 2gr9 h PRO 72 CO 0.00 0.62 0.00 0.72 -0.21 0.00 0.00 178.00 179.13 2gr9 n HIS 73 N -4.47 0.00 0.00 0.65 8.25 -1.26 -3.10 115.22 115.29 2gr9 n HIS 73 Ca 0.11 -0.65 0.00 0.00 -0.26 0.00 0.00 57.72 56.92 2gr9 n HIS 73 Cb 0.16 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 30.91 2gr9 n HIS 73 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2gr9 n ILE 74 N 1.19 0.00 -0.34 1.59 2.08 -1.00 -4.92 119.36 117.96 2gr9 n ILE 74 Ca 0.00 0.00 0.30 0.00 0.56 0.00 0.00 62.75 63.61 2gr9 n ILE 74 Cb 0.41 0.00 0.52 0.00 -0.75 0.00 0.00 39.64 39.82 2gr9 n ILE 74 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 2gr9 n ILE 75 N -1.45 -0.26 0.28 1.39 2.08 -1.13 -0.19 119.36 120.10 2gr9 n ILE 75 Ca 0.00 1.53 -0.17 0.00 0.56 0.00 0.00 62.75 64.68 2gr9 n ILE 75 Cb 0.00 -2.51 -0.09 0.00 -0.75 0.00 0.00 39.64 36.29 2gr9 n ILE 75 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 2gr9 h PRO 76 N 0.00 -0.91 0.00 0.38 0.11 -1.91 -2.79 132.00 126.88 2gr9 h PRO 76 Ca 0.71 0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.88 2gr9 h PRO 76 Cb 2.13 0.21 0.00 0.00 0.11 0.00 0.00 31.00 33.45 2gr9 h PRO 76 CO -0.47 -0.61 0.00 1.19 -0.21 0.00 0.00 178.00 177.90 2gr9 n PHE 77 N -5.24 0.00 -0.06 0.65 3.01 0.74 -2.82 117.46 113.73 2gr9 n PHE 77 Ca -0.11 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.33 2gr9 n PHE 77 Cb 0.43 -0.24 -0.02 0.00 -0.01 0.00 0.00 39.48 39.65 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 -1.69 -0.10 -0.18 4.37 2.08 -1.14 0.80 119.36 123.50 2gr9 n ILE 78 Ca 0.00 0.38 -0.08 0.00 0.56 0.00 0.00 62.75 63.61 2gr9 n ILE 78 Cb 0.00 -0.47 -0.02 0.00 -0.75 0.00 0.00 39.64 38.40 2gr9 n ILE 78 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2gr9 h LEU 79 N 0.00 -1.34 -4.33 1.39 3.38 -1.33 -0.65 115.31 112.43 2gr9 h LEU 79 Ca 0.02 0.23 -0.19 0.00 0.09 0.00 0.00 57.88 58.03 2gr9 h LEU 79 Cb 0.06 0.62 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 2gr9 h LEU 79 CO -0.14 -0.33 0.19 0.47 0.09 0.00 0.00 178.44 178.71 2gr9 n ASP 80 N -5.42 4.40 0.00 -0.43 8.00 0.24 -0.66 116.55 122.68 2gr9 n ASP 80 Ca 0.02 -2.28 0.00 0.00 0.71 0.00 0.00 54.79 53.23 2gr9 n ASP 80 Cb 0.35 -1.13 0.00 0.00 -0.02 0.00 0.00 41.12 40.32 2gr9 n ASP 80 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2gr9 n GLU 81 N 2.75 0.00 0.00 -1.24 1.02 -0.28 -4.95 120.64 117.95 2gr9 n GLU 81 Ca 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 2gr9 n GLU 81 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.08 2gr9 n GLU 81 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2gr9 n ILE 82 N 0.00 0.00 -0.48 -3.67 2.08 -0.23 -4.78 119.36 112.29 2gr9 n ILE 82 Ca 0.00 0.00 0.40 0.00 0.56 0.00 0.00 62.75 63.71 2gr9 n ILE 82 Cb 0.00 -0.54 0.66 0.00 -0.75 0.00 0.00 39.64 39.01 2gr9 n ILE 82 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2gr9 n GLY 83 N 2.41 -0.81 0.11 7.39 0.00 0.17 0.31 105.19 114.78 2gr9 n GLY 83 Ca 0.00 0.70 -0.03 0.00 0.00 0.00 0.00 46.02 46.70 2gr9 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gr9 h ALA 84 N 1.41 0.78 0.00 4.61 0.00 -1.86 -3.23 119.26 120.97 2gr9 h ALA 84 Ca 0.84 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2gr9 h ALA 84 Cb 2.80 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 20.47 2gr9 h ALA 84 CO -0.38 0.91 -1.14 -0.25 0.00 0.00 0.00 179.25 178.40 2gr9 n ASP 85 N -3.65 0.76 -4.72 0.00 8.00 0.93 -4.88 116.55 112.99 2gr9 n ASP 85 Ca -0.01 0.30 -0.43 0.00 0.71 0.00 0.00 54.79 55.36 2gr9 n ASP 85 Cb 0.72 0.58 -0.02 0.00 -0.02 0.00 0.00 41.12 42.38 2gr9 n ASP 85 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2gr9 n ILE 86 N -2.65 0.70 -3.37 0.53 5.41 0.77 -4.86 119.36 115.88 2gr9 n ILE 86 Ca -0.01 -0.17 -0.16 0.00 1.00 0.00 0.00 62.75 63.41 2gr9 n ILE 86 Cb 0.58 -1.83 -0.08 0.00 -0.71 0.00 0.00 39.64 37.60 2gr9 n ILE 86 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2gr9 s GLU 87 N -0.00 0.44 0.00 0.38 -1.05 -1.26 -4.81 118.70 112.40 2gr9 s GLU 87 Ca 0.69 -0.33 0.00 0.00 -0.15 0.00 0.00 54.97 55.18 2gr9 s GLU 87 Cb -0.55 -0.62 0.00 0.00 -0.44 0.00 0.00 34.13 32.52 2gr9 s GLU 87 CO 0.44 -1.08 0.00 -0.25 0.95 0.00 0.00 175.26 175.32 2gr9 n ASP 88 N 4.98 0.00 -0.10 0.83 8.00 -1.26 -3.46 116.55 125.54 2gr9 n ASP 88 Ca 0.03 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.46 2gr9 n ASP 88 Cb 0.46 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.58 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 0.00 0.27 -4.49 -1.24 0.11 -1.97 -3.45 114.38 103.61 2gr9 h ARG 89 Ca 0.00 -0.02 -0.45 0.00 0.10 0.00 0.00 59.98 59.62 2gr9 h ARG 89 Cb 0.00 -0.06 0.14 0.00 1.11 0.00 0.00 29.97 31.16 2gr9 h ARG 89 CO 0.00 0.18 -0.88 0.72 0.10 0.00 0.00 179.97 180.08 2gr9 n HIS 90 N -5.01 -2.23 -3.51 4.08 8.25 -1.22 -4.97 115.22 110.60 2gr9 n HIS 90 Ca 0.01 0.33 -0.29 0.00 -0.26 0.00 0.00 57.72 57.51 2gr9 n HIS 90 Cb 0.12 -1.26 -0.12 0.00 1.12 0.00 0.00 29.99 29.85 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 -1.50 0.32 -0.24 1.59 1.01 -0.93 -4.56 121.20 116.89 2gr9 s ILE 91 Ca 0.42 -1.74 -0.29 0.00 0.00 0.00 0.00 60.65 59.04 2gr9 s ILE 91 Cb -0.36 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 2gr9 s ILE 91 CO 0.50 -0.95 1.54 -0.69 0.00 0.00 0.00 174.94 175.34 2gr9 s VAL 92 N 1.07 3.80 -0.40 2.92 1.01 0.34 -1.93 120.40 127.21 2gr9 s VAL 92 Ca 0.17 0.91 -0.07 0.00 0.00 0.00 0.00 61.98 62.98 2gr9 s VAL 92 Cb -0.23 -3.82 0.08 0.00 0.00 0.00 0.00 36.38 32.41 2gr9 s VAL 92 CO -0.03 -0.34 0.21 -0.69 0.00 0.00 0.00 175.10 174.26 2gr9 s VAL 93 N 5.00 3.94 -0.31 2.92 1.01 0.35 -0.99 120.40 132.32 2gr9 s VAL 93 Ca 0.68 -1.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 2gr9 s VAL 93 Cb -0.23 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2gr9 s VAL 93 CO 0.28 -0.46 0.22 -0.55 0.00 0.00 0.00 175.10 174.59 2gr9 s SER 94 N 1.92 6.05 -0.60 3.32 0.15 -0.96 0.74 113.70 124.31 2gr9 s SER 94 Ca 0.03 -0.23 0.03 0.00 0.70 0.00 0.00 55.95 56.47 2gr9 s SER 94 Cb -0.22 -2.13 0.15 0.00 -1.71 0.00 0.00 66.02 62.10 2gr9 s SER 94 CO 0.01 -0.16 0.37 0.00 1.20 0.00 0.00 173.24 174.67 2gr9 s ALA 96 N -0.65 0.40 0.04 0.00 0.00 -1.25 -4.61 121.76 115.69 2gr9 s ALA 96 Ca 0.20 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.74 2gr9 s ALA 96 Cb -0.18 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 2gr9 s ALA 96 CO -0.06 -0.42 1.08 0.00 0.00 0.00 0.00 175.76 176.37 2gr9 s ALA 97 N -3.92 3.27 0.00 0.00 0.00 -1.26 -4.16 121.76 115.69 2gr9 s ALA 97 Ca 0.09 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2gr9 s ALA 97 Cb 0.07 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2gr9 s ALA 97 CO -0.09 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.77 2gr9 n GLY 98 N 3.00 0.65 3.55 0.00 0.00 -1.26 -4.57 105.19 106.56 2gr9 n GLY 98 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2gr9 n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gr9 s VAL 99 N -0.43 3.10 0.97 1.61 1.01 -1.26 -4.77 120.40 120.64 2gr9 s VAL 99 Ca 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 2gr9 s VAL 99 Cb 0.00 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 33.14 2gr9 s VAL 99 CO 0.00 -0.25 0.16 0.41 0.00 0.00 0.00 175.10 175.43 2gr9 n THR 100 N 7.87 0.00 0.08 3.92 -1.04 -1.26 -4.90 114.28 118.96 2gr9 n THR 100 Ca 0.34 -0.24 -0.07 0.00 -2.04 0.00 0.00 64.05 62.04 2gr9 n THR 100 Cb 0.53 -0.52 0.07 0.00 -1.82 0.00 0.00 70.33 68.59 2gr9 n THR 100 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 2gr9 h ILE 101 N -1.52 1.42 0.01 12.58 -0.00 -1.99 -3.20 117.51 124.81 2gr9 h ILE 101 Ca -0.44 -2.19 -0.24 0.00 -0.00 0.00 0.00 64.86 61.98 2gr9 h ILE 101 Cb 1.29 2.16 0.01 0.00 -0.00 0.00 0.00 36.82 40.28 2gr9 h ILE 101 CO 0.33 0.65 -0.99 0.28 -0.00 0.00 0.00 178.15 178.41 2gr9 h SER 102 N 0.16 0.63 0.00 2.19 0.02 -1.98 -2.08 113.55 112.49 2gr9 h SER 102 Ca -0.02 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 2gr9 h SER 102 Cb 1.25 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2gr9 h SER 102 CO 0.11 1.32 0.01 -1.20 -1.14 0.00 0.00 176.83 175.93 2gr9 n SER 103 N -3.76 0.44 -0.05 3.07 7.64 -1.21 -1.85 113.62 117.90 2gr9 n SER 103 Ca -0.08 0.70 -0.05 0.00 1.01 0.00 0.00 58.87 60.45 2gr9 n SER 103 Cb 0.86 -0.75 -0.07 0.00 -1.01 0.00 0.00 64.21 63.24 2gr9 n SER 103 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2gr9 n ILE 104 N -2.09 0.62 0.24 0.44 5.41 -1.18 -4.36 119.36 118.43 2gr9 n ILE 104 Ca -0.01 -0.36 0.13 0.00 1.00 0.00 0.00 62.75 63.51 2gr9 n ILE 104 Cb 0.04 -0.78 0.41 0.00 -0.71 0.00 0.00 39.64 38.60 2gr9 n ILE 104 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2gr9 h GLU 105 N 0.00 0.00 0.05 0.38 5.08 -0.94 -2.06 114.58 117.10 2gr9 h GLU 105 Ca -0.24 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2gr9 h GLU 105 Cb 1.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.78 2gr9 h GLU 105 CO 0.01 0.07 -0.03 0.87 -1.00 0.00 0.00 179.01 178.93 2gr9 h LYS 106 N 0.00 -0.07 -0.99 2.33 1.57 -1.60 -2.24 116.57 115.57 2gr9 h LYS 106 Ca -0.00 0.00 0.31 0.00 -1.87 0.00 0.00 60.65 59.10 2gr9 h LYS 106 Cb 0.80 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 32.97 2gr9 h LYS 106 CO 0.01 -0.05 0.53 0.87 -0.57 0.00 0.00 179.45 180.24 2gr9 h LYS 107 N -0.13 0.30 0.00 3.15 1.57 -1.76 0.85 116.57 120.55 2gr9 h LYS 107 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2gr9 h LYS 107 Cb 0.06 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2gr9 h LYS 107 CO 0.01 0.20 0.00 1.28 -0.57 0.00 0.00 179.45 180.37 2gr9 n LEU 108 N -5.08 0.31 0.15 2.94 4.77 -0.77 -2.61 117.00 116.71 2gr9 n LEU 108 Ca 0.31 0.53 0.07 0.00 -0.03 0.00 0.00 56.01 56.89 2gr9 n LEU 108 Cb 0.95 -0.44 0.07 0.00 -2.33 0.00 0.00 43.42 41.67 2gr9 n LEU 108 CO 0.09 -0.10 0.45 0.28 -1.33 0.00 0.00 177.39 176.79 2gr9 h SER 109 N 0.00 0.00 0.00 -1.43 0.02 0.14 -3.06 113.55 109.22 2gr9 h SER 109 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2gr9 h SER 109 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2gr9 h SER 109 CO 0.00 0.23 0.00 0.00 -1.14 0.00 0.00 176.83 175.92 2gr9 n ALA 110 N -2.19 1.89 -2.91 3.77 0.00 -0.99 -4.46 120.51 115.62 2gr9 n ALA 110 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2gr9 n ALA 110 Cb 0.64 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.99 0.00 -1.23 0.00 3.01 -1.16 -5.07 117.46 112.02 2gr9 n PHE 111 Ca 0.08 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.15 2gr9 n PHE 111 Cb 0.03 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.51 2gr9 n PHE 111 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2gr9 n ARG 112 N 0.00 0.00 0.00 -1.08 3.00 -1.23 -4.90 116.66 112.44 2gr9 n ARG 112 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2gr9 n ARG 112 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 32.46 31.48 2gr9 n ARG 112 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2gr9 n PRO 113 N 1.42 0.00 -3.96 -0.14 -0.02 -1.26 -4.28 135.00 126.76 2gr9 n PRO 113 Ca 0.09 0.54 -0.30 0.00 -2.02 0.00 0.00 63.50 61.81 2gr9 n PRO 113 Cb 0.44 -1.44 -0.14 0.00 -0.02 0.00 0.00 33.50 32.34 2gr9 n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gr9 s ALA 114 N -3.08 3.22 0.74 3.55 0.00 -1.26 -4.76 121.76 120.16 2gr9 s ALA 114 Ca 0.00 -3.13 -0.12 0.00 0.00 0.00 0.00 51.96 48.71 2gr9 s ALA 114 Cb 0.00 -2.12 0.04 0.00 0.00 0.00 0.00 23.12 21.04 2gr9 s ALA 114 CO 0.00 -1.96 1.09 -1.25 0.00 0.00 0.00 175.76 173.65 2gr9 s PRO 115 N -0.06 2.45 -0.69 0.00 0.04 -1.26 -4.88 135.00 130.60 2gr9 s PRO 115 Ca 0.16 1.22 -0.06 0.00 0.04 0.00 0.00 61.00 62.36 2gr9 s PRO 115 Cb -0.25 -1.92 0.18 0.00 0.04 0.00 0.00 34.50 32.56 2gr9 s PRO 115 CO -0.02 -1.50 0.54 1.03 0.04 0.00 0.00 177.00 177.10 2gr9 s ARG 116 N -4.67 2.90 -0.21 4.56 0.52 -1.26 -4.03 118.95 116.75 2gr9 s ARG 116 Ca 0.63 -2.51 -0.07 0.00 -0.52 0.00 0.00 55.73 53.26 2gr9 s ARG 116 Cb -0.18 -3.95 -0.03 0.00 0.52 0.00 0.00 34.95 31.30 2gr9 s ARG 116 CO 0.52 -1.21 0.05 0.08 0.02 0.00 0.00 175.30 174.75 2gr9 s VAL 117 N 0.01 4.37 -0.23 3.52 1.01 -1.26 -0.50 120.40 127.31 2gr9 s VAL 117 Ca 0.17 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.99 2gr9 s VAL 117 Cb -0.17 -2.99 0.04 0.00 0.00 0.00 0.00 36.38 33.25 2gr9 s VAL 117 CO -0.05 0.40 -0.12 -0.63 0.00 0.00 0.00 175.10 174.70 2gr9 s ILE 118 N 1.00 2.32 0.42 2.22 1.09 -0.17 -0.12 121.20 127.98 2gr9 s ILE 118 Ca 0.03 -1.27 -0.20 0.00 -1.10 0.00 0.00 60.65 58.11 2gr9 s ILE 118 Cb -0.14 -2.20 -0.11 0.00 -1.06 0.00 0.00 42.46 38.95 2gr9 s ILE 118 CO 0.03 0.20 0.93 -0.60 -0.10 0.00 0.00 174.94 175.40 2gr9 s ARG 119 N 1.22 4.19 0.14 2.79 3.52 0.44 -2.27 118.95 128.98 2gr9 s ARG 119 Ca -0.02 1.07 -0.17 0.00 -0.13 0.00 0.00 55.73 56.48 2gr9 s ARG 119 Cb -0.17 -2.20 0.04 0.00 -1.56 0.00 0.00 34.95 31.06 2gr9 s ARG 119 CO -0.07 -0.02 0.43 0.00 -0.81 0.00 0.00 175.30 174.82 2gr9 s MET 121 N -3.81 0.03 0.29 0.00 0.00 0.55 -3.75 119.30 112.61 2gr9 s MET 121 Ca 0.04 0.43 0.00 0.00 0.00 0.00 0.00 55.69 56.16 2gr9 s MET 121 Cb 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 34.83 34.57 2gr9 s MET 121 CO -0.11 -0.25 0.37 0.25 0.00 0.00 0.00 175.02 175.29 2gr9 n THR 122 N 4.82 0.00 -4.36 10.11 -2.24 -1.26 -0.21 114.28 121.14 2gr9 n THR 122 Ca -0.14 -1.58 -0.18 0.00 -2.27 0.00 0.00 64.05 59.87 2gr9 n THR 122 Cb 0.50 0.93 -0.10 0.00 -2.10 0.00 0.00 70.33 69.56 2gr9 n THR 122 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2gr9 s ASN 123 N -2.82 1.56 0.19 3.42 2.20 -1.24 -4.84 114.94 113.40 2gr9 s ASN 123 Ca 0.26 -1.43 -0.15 0.00 -0.94 0.00 0.00 52.86 50.59 2gr9 s ASN 123 Cb -0.00 0.19 0.18 0.00 -2.00 0.00 0.00 41.25 39.61 2gr9 s ASN 123 CO 0.18 -0.75 1.64 0.74 -2.94 0.00 0.00 177.10 175.97 2gr9 h THR 124 N 2.27 0.46 0.00 0.54 2.02 -1.92 -1.91 112.91 114.36 2gr9 h THR 124 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2gr9 h THR 124 Cb 1.25 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2gr9 h THR 124 CO 0.60 0.00 0.22 -0.81 0.37 0.00 0.00 175.52 175.91 2gr9 n PRO 125 N -5.38 0.00 0.33 6.66 -0.04 -1.26 -0.35 135.00 134.95 2gr9 n PRO 125 Ca 0.05 0.17 0.20 0.00 -0.04 0.00 0.00 63.50 63.88 2gr9 n PRO 125 Cb 0.28 -1.72 1.06 0.00 -0.04 0.00 0.00 33.50 33.08 2gr9 n PRO 125 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2gr9 h VAL 126 N 0.00 0.00 0.00 0.52 2.07 -1.25 -0.01 116.25 117.58 2gr9 h VAL 126 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2gr9 h VAL 126 Cb 0.45 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2gr9 h VAL 126 CO 0.00 0.00 -0.10 0.58 0.02 0.00 0.00 177.57 178.07 2gr9 h VAL 127 N 0.00 0.47 -2.03 2.57 2.07 -0.86 -2.43 116.25 116.04 2gr9 h VAL 127 Ca 0.00 -0.49 -0.55 0.00 0.82 0.00 0.00 66.70 66.49 2gr9 h VAL 127 Cb 0.20 1.33 -0.41 0.00 -1.52 0.00 0.00 31.29 30.89 2gr9 h VAL 127 CO 0.00 0.10 -0.83 0.52 0.02 0.00 0.00 177.57 177.38 2gr9 n VAL 128 N -3.55 2.03 -0.59 2.57 0.31 -0.02 -4.31 118.33 114.77 2gr9 n VAL 128 Ca -0.02 -5.09 0.00 0.00 -0.01 0.00 0.00 64.34 59.22 2gr9 n VAL 128 Cb 0.23 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 2gr9 n VAL 128 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2gr9 n ARG 129 N -0.13 0.00 -3.25 5.55 1.74 -0.91 -4.74 116.66 114.91 2gr9 n ARG 129 Ca 0.29 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.27 2gr9 n ARG 129 Cb 0.52 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.94 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 14.00 -0.94 -4.26 5.56 -0.58 -1.26 -3.01 120.64 130.16 2gr9 n GLU 130 Ca 0.00 -0.07 -0.31 0.00 -0.42 0.00 0.00 57.16 56.36 2gr9 n GLU 130 Cb 0.00 -0.82 -0.09 0.00 -0.57 0.00 0.00 31.44 29.96 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 -3.71 1.83 -0.35 0.62 0.00 -1.17 -4.44 107.32 100.10 2gr9 s GLY 131 Ca 0.04 -1.13 -0.13 0.00 0.00 0.00 0.00 44.72 43.50 2gr9 s GLY 131 CO 0.30 -1.07 0.26 0.00 0.00 0.00 0.00 173.10 172.59 2gr9 s ALA 132 N -1.18 3.50 -0.07 3.20 0.00 -1.26 0.43 121.76 126.38 2gr9 s ALA 132 Ca 0.22 -1.39 0.03 0.00 0.00 0.00 0.00 51.96 50.82 2gr9 s ALA 132 Cb -0.11 -2.71 0.01 0.00 0.00 0.00 0.00 23.12 20.31 2gr9 s ALA 132 CO 0.13 -1.03 -0.16 0.95 0.00 0.00 0.00 175.76 175.66 2gr9 s THR 133 N 1.75 1.43 0.09 0.00 -4.23 -0.36 -3.69 115.64 110.63 2gr9 s THR 133 Ca 0.07 -0.67 0.10 0.00 -1.18 0.00 0.00 61.69 60.00 2gr9 s THR 133 Cb -0.17 -1.26 -0.03 0.00 1.34 0.00 0.00 72.50 72.37 2gr9 s THR 133 CO 0.11 0.42 -0.26 -0.69 -0.54 0.00 0.00 174.62 173.66 2gr9 s VAL 134 N 0.39 2.13 -0.07 2.29 1.01 0.71 -2.72 120.40 124.15 2gr9 s VAL 134 Ca -0.12 -1.56 -0.06 0.00 0.00 0.00 0.00 61.98 60.25 2gr9 s VAL 134 Cb -0.15 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.39 2gr9 s VAL 134 CO 0.04 0.20 0.18 -0.72 0.00 0.00 0.00 175.10 174.81 2gr9 s TYR 135 N -0.94 -0.21 -0.22 5.22 -0.85 -1.10 -0.33 117.35 118.93 2gr9 s TYR 135 Ca 0.12 0.52 -0.08 0.00 -0.52 0.00 0.00 57.07 57.11 2gr9 s TYR 135 Cb -0.10 0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.24 2gr9 s TYR 135 CO 0.04 -0.12 0.10 0.00 -1.52 0.00 0.00 175.55 174.04 2gr9 s ALA 136 N 0.39 3.42 -0.11 9.51 0.00 0.41 -1.07 121.76 134.30 2gr9 s ALA 136 Ca -0.02 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.77 2gr9 s ALA 136 Cb -0.04 -2.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.98 2gr9 s ALA 136 CO -0.02 -0.09 1.02 -0.08 0.00 0.00 0.00 175.76 176.60 2gr9 s THR 137 N 0.86 4.74 1.16 0.00 -1.32 -1.26 -0.42 115.64 119.40 2gr9 s THR 137 Ca 0.05 2.02 -0.17 0.00 -1.21 0.00 0.00 61.69 62.37 2gr9 s THR 137 Cb -0.13 -4.30 0.22 0.00 -1.51 0.00 0.00 72.50 66.78 2gr9 s THR 137 CO 0.03 -0.00 0.43 0.61 -2.21 0.00 0.00 174.62 173.47 2gr9 n GLY 138 N 3.12 -2.80 0.10 6.08 0.00 0.84 -4.94 105.19 107.58 2gr9 n GLY 138 Ca 0.09 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.79 1.34 0.09 2.61 2.02 -1.88 -3.35 112.91 110.95 2gr9 h THR 139 Ca -0.37 -1.13 -0.35 0.00 0.77 0.00 0.00 66.41 65.33 2gr9 h THR 139 Cb 1.06 1.92 -0.03 0.00 -1.74 0.00 0.00 68.15 69.36 2gr9 h THR 139 CO 0.25 0.32 -1.95 1.41 0.37 0.00 0.00 175.52 175.91 2gr9 n HIS 140 N -4.73 1.15 -1.28 3.16 8.25 -1.26 -4.93 115.22 115.58 2gr9 n HIS 140 Ca -0.07 0.28 -0.53 0.00 -0.26 0.00 0.00 57.72 57.14 2gr9 n HIS 140 Cb 0.28 -1.16 -0.09 0.00 1.12 0.00 0.00 29.99 30.14 2gr9 n HIS 140 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gr9 n ALA 141 N -2.90 -0.65 -0.64 -1.41 0.00 -1.26 -4.84 120.51 108.81 2gr9 n ALA 141 Ca -0.29 0.32 -0.31 0.00 0.00 0.00 0.00 53.44 53.16 2gr9 n ALA 141 Cb 1.05 -1.61 0.19 0.00 0.00 0.00 0.00 19.45 19.07 2gr9 n ALA 141 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2gr9 n GLN 142 N 4.28 -1.53 -0.52 0.00 6.02 -1.26 -4.79 117.38 119.57 2gr9 n GLN 142 Ca 0.32 -0.42 -0.06 0.00 -0.01 0.00 0.00 57.00 56.84 2gr9 n GLN 142 Cb -0.04 -1.92 0.02 0.00 1.02 0.00 0.00 30.24 29.31 2gr9 n GLN 142 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2gr9 n VAL 143 N -4.43 2.03 -1.17 5.09 0.31 -1.26 -2.60 118.33 116.30 2gr9 n VAL 143 Ca 0.03 -0.75 0.00 0.00 -0.01 0.00 0.00 64.34 63.61 2gr9 n VAL 143 Cb 0.57 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 2gr9 n VAL 143 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2gr9 n GLU 144 N 0.82 0.00 0.00 5.55 1.02 -1.26 -4.72 120.64 122.05 2gr9 n GLU 144 Ca 0.11 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.39 2gr9 n GLU 144 Cb 0.58 -0.18 0.59 0.00 -0.02 0.00 0.00 31.44 32.41 2gr9 n GLU 144 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2gr9 n ASP 145 N 0.00 0.42 0.00 1.62 8.00 -1.07 -2.86 116.55 122.66 2gr9 n ASP 145 Ca 0.00 -0.45 -0.20 0.00 0.71 0.00 0.00 54.79 54.85 2gr9 n ASP 145 Cb 0.17 -0.09 -0.14 0.00 -0.02 0.00 0.00 41.12 41.04 2gr9 n ASP 145 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2gr9 h GLY 146 N 4.97 0.23 1.11 0.44 0.00 -1.85 -2.54 103.07 105.43 2gr9 h GLY 146 Ca 0.00 -0.59 0.09 0.00 0.00 0.00 0.00 47.33 46.83 2gr9 h GLY 146 CO 0.00 0.52 0.36 3.21 0.00 0.00 0.00 176.54 180.63 2gr9 h ARG 147 N -0.51 0.00 0.00 4.80 3.08 -1.83 0.29 114.38 120.20 2gr9 h ARG 147 Ca -0.19 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.69 2gr9 h ARG 147 Cb 1.54 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.57 2gr9 h ARG 147 CO 0.06 0.00 -0.95 1.25 -1.07 0.00 0.00 179.97 179.26 2gr9 h LEU 148 N 0.00 0.00 -0.51 3.04 5.85 -1.60 -2.91 115.31 119.17 2gr9 h LEU 148 Ca 0.15 -0.53 0.10 0.00 0.84 0.00 0.00 57.88 58.44 2gr9 h LEU 148 Cb 0.87 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.79 2gr9 h LEU 148 CO -0.00 1.32 -0.19 -0.03 -0.34 0.00 0.00 178.44 179.19 2gr9 h MET 149 N -1.00 -0.07 0.00 1.25 4.05 -0.94 0.14 114.93 118.36 2gr9 h MET 149 Ca -0.25 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 2gr9 h MET 149 Cb 1.15 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 2gr9 h MET 149 CO -0.15 -0.05 0.00 -1.91 0.23 0.00 0.00 176.91 175.03 2gr9 n GLU 150 N -5.40 0.00 -0.41 0.39 2.13 0.03 -2.04 120.64 115.33 2gr9 n GLU 150 Ca 0.05 0.35 0.32 0.00 0.66 0.00 0.00 57.16 58.54 2gr9 n GLU 150 Cb 0.31 -1.20 0.50 0.00 0.27 0.00 0.00 31.44 31.32 2gr9 n GLU 150 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2gr9 n GLN 151 N -1.56 -0.01 -0.03 5.31 6.02 -1.10 0.22 117.38 126.24 2gr9 n GLN 151 Ca 0.00 0.74 -0.10 0.00 -0.01 0.00 0.00 57.00 57.63 2gr9 n GLN 151 Cb 0.00 -1.62 -0.08 0.00 1.02 0.00 0.00 30.24 29.56 2gr9 n GLN 151 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2gr9 h LEU 152 N 0.00 -0.05 -0.51 1.08 5.85 -0.63 -3.34 115.31 117.70 2gr9 h LEU 152 Ca 0.60 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2gr9 h LEU 152 Cb 2.26 0.01 0.00 0.00 0.37 0.00 0.00 40.66 43.31 2gr9 h LEU 152 CO -0.10 0.68 0.00 0.18 -0.34 0.00 0.00 178.44 178.86 2gr9 n LEU 153 N -4.75 0.78 -0.06 2.25 4.32 0.13 -2.64 117.00 117.03 2gr9 n LEU 153 Ca -0.07 -0.32 0.12 0.00 -0.02 0.00 0.00 56.01 55.73 2gr9 n LEU 153 Cb 0.29 -0.04 0.25 0.00 -1.62 0.00 0.00 43.42 42.30 2gr9 n LEU 153 CO 0.23 0.16 0.47 -1.20 -1.22 0.00 0.00 177.39 175.83 2gr9 n SER 154 N -0.29 0.66 -0.04 -1.43 7.64 -0.19 -3.11 113.62 116.86 2gr9 n SER 154 Ca 0.16 -0.44 0.14 0.00 1.01 0.00 0.00 58.87 59.74 2gr9 n SER 154 Cb 0.19 0.27 0.68 0.00 -1.01 0.00 0.00 64.21 64.34 2gr9 n SER 154 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2gr9 n SER 155 N -1.30 0.20 -2.74 6.43 7.64 -1.08 -3.77 113.62 118.99 2gr9 n SER 155 Ca 0.07 -0.29 -0.04 0.00 1.01 0.00 0.00 58.87 59.61 2gr9 n SER 155 Cb 0.34 -0.19 0.06 0.00 -1.01 0.00 0.00 64.21 63.40 2gr9 n SER 155 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2gr9 n VAL 156 N -1.17 0.94 0.00 0.44 0.31 -1.18 -4.79 118.33 112.88 2gr9 n VAL 156 Ca 0.14 -2.68 0.00 0.00 -0.01 0.00 0.00 64.34 61.79 2gr9 n VAL 156 Cb 0.26 1.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.19 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 -0.47 0.75 3.83 2.92 0.00 -1.24 -3.06 105.19 107.91 2gr9 n GLY 157 Ca 0.05 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.37 3.36 -0.24 1.61 5.36 0.17 -4.36 117.98 122.52 2gr9 s PHE 158 Ca 0.00 1.54 -0.22 0.00 -0.96 0.00 0.00 56.93 57.29 2gr9 s PHE 158 Cb 0.00 -2.81 0.06 0.00 -0.34 0.00 0.00 43.02 39.93 2gr9 s PHE 158 CO 0.00 -0.19 0.64 0.00 -1.46 0.00 0.00 175.22 174.21 2gr9 s THR 160 N 0.36 0.00 0.44 0.00 2.01 -1.10 -5.00 115.64 112.36 2gr9 s THR 160 Ca -0.00 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 61.79 2gr9 s THR 160 Cb -0.04 -1.00 -0.10 0.00 0.01 0.00 0.00 72.50 71.37 2gr9 s THR 160 CO 0.00 0.00 0.99 -1.83 -0.69 0.00 0.00 174.62 173.09 2gr9 s GLU 161 N -0.67 4.09 0.00 4.92 -1.05 -1.26 -2.70 118.70 122.04 2gr9 s GLU 161 Ca 0.00 1.23 0.01 0.00 -0.15 0.00 0.00 54.97 56.06 2gr9 s GLU 161 Cb -0.02 -2.19 -0.00 0.00 -0.44 0.00 0.00 34.13 31.47 2gr9 s GLU 161 CO -0.01 -0.16 -0.04 0.08 0.95 0.00 0.00 175.26 176.08 2gr9 s VAL 162 N -2.06 0.29 -0.63 1.83 1.01 -0.24 -4.83 120.40 115.78 2gr9 s VAL 162 Ca 0.63 -0.23 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 2gr9 s VAL 162 Cb -0.13 -0.27 -0.11 0.00 0.00 0.00 0.00 36.38 35.88 2gr9 s VAL 162 CO 0.17 0.04 2.45 1.21 0.00 0.00 0.00 175.10 178.96 2gr9 n GLU 163 N 2.86 0.78 0.00 2.72 4.07 -1.26 -4.08 120.64 125.73 2gr9 n GLU 163 Ca -0.13 -0.13 0.00 0.00 -0.06 0.00 0.00 57.16 56.83 2gr9 n GLU 163 Cb 0.58 -3.13 0.00 0.00 -0.06 0.00 0.00 31.44 28.84 2gr9 n GLU 163 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2gr9 n GLU 164 N 8.79 0.00 -0.29 5.31 2.13 -1.26 -1.14 120.64 134.18 2gr9 n GLU 164 Ca 0.44 0.00 0.33 0.00 0.66 0.00 0.00 57.16 58.59 2gr9 n GLU 164 Cb 0.44 0.00 0.61 0.00 0.27 0.00 0.00 31.44 32.76 2gr9 n GLU 164 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 2gr9 h ASP 165 N 0.00 0.00 0.09 4.31 2.03 -2.03 0.54 116.42 121.35 2gr9 h ASP 165 Ca 0.00 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.07 2gr9 h ASP 165 Cb 0.00 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.51 2gr9 h ASP 165 CO 0.00 0.00 -0.88 -0.07 -1.03 0.00 0.00 179.24 177.26 2gr9 h LEU 166 N 0.00 0.75 -1.76 0.15 3.38 -1.48 -3.32 115.31 113.03 2gr9 h LEU 166 Ca 0.55 -0.55 0.52 0.00 0.09 0.00 0.00 57.88 58.50 2gr9 h LEU 166 Cb 2.74 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 43.18 2gr9 h LEU 166 CO -0.01 1.34 1.25 -0.38 0.09 0.00 0.00 178.44 180.73 2gr9 n ILE 167 N -3.85 -0.04 0.22 1.22 5.41 0.19 0.17 119.36 122.69 2gr9 n ILE 167 Ca -0.08 1.44 0.10 0.00 1.00 0.00 0.00 62.75 65.21 2gr9 n ILE 167 Cb 0.80 -2.39 0.50 0.00 -0.71 0.00 0.00 39.64 37.83 2gr9 n ILE 167 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2gr9 h ASP 168 N 0.00 0.00 0.05 4.38 5.19 -1.73 -3.08 116.42 121.22 2gr9 h ASP 168 Ca 0.87 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 57.06 2gr9 h ASP 168 Cb 3.40 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 42.89 2gr9 h ASP 168 CO -0.08 0.23 -1.15 0.00 -3.12 0.00 0.00 179.24 175.12 2gr9 h ALA 169 N 1.77 0.20 0.00 3.45 0.00 0.15 -3.28 119.26 121.54 2gr9 h ALA 169 Ca -0.00 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.85 2gr9 h ALA 169 Cb 0.68 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2gr9 h ALA 169 CO 0.03 0.67 0.00 0.28 0.00 0.00 0.00 179.25 180.23 2gr9 n VAL 170 N -4.22 0.00 -0.11 0.00 0.31 -0.95 -0.19 118.33 113.18 2gr9 n VAL 170 Ca -0.26 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 63.89 2gr9 n VAL 170 Cb 0.75 -0.89 -0.07 0.00 -0.91 0.00 0.00 33.84 32.72 2gr9 n VAL 170 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2gr9 n THR 171 N -0.73 1.50 0.15 2.52 -1.04 -1.17 -2.64 114.28 112.87 2gr9 n THR 171 Ca 0.00 -0.06 0.06 0.00 -2.04 0.00 0.00 64.05 62.02 2gr9 n THR 171 Cb 0.00 -2.14 0.33 0.00 -1.82 0.00 0.00 70.33 66.69 2gr9 n THR 171 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2gr9 n GLY 172 N 1.41 -0.77 0.00 3.41 0.00 0.73 -0.30 105.19 109.67 2gr9 n GLY 172 Ca -0.30 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2gr9 n GLY 172 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2gr9 n LEU 173 N -1.90 0.00 0.05 0.99 7.94 -0.95 -4.29 117.00 118.85 2gr9 n LEU 173 Ca -0.00 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.01 2gr9 n LEU 173 Cb 0.05 0.00 0.45 0.00 0.53 0.00 0.00 43.42 44.45 2gr9 n LEU 173 CO 0.07 0.00 0.84 -1.54 -1.11 0.00 0.00 177.39 175.65 2gr9 n SER 174 N -0.78 0.29 0.00 1.96 3.41 -1.21 -0.62 113.62 116.67 2gr9 n SER 174 Ca 0.00 0.55 -0.00 0.00 -0.26 0.00 0.00 58.87 59.16 2gr9 n SER 174 Cb 0.00 -0.62 -0.00 0.00 -0.26 0.00 0.00 64.21 63.33 2gr9 n SER 174 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2gr9 h GLY 175 N 3.41 -0.01 1.43 5.00 0.00 -0.62 -3.35 103.07 108.94 2gr9 h GLY 175 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2gr9 h GLY 175 CO 0.00 -0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 2gr9 n SER 176 N -2.15 0.00 0.00 0.19 7.64 0.59 -4.37 113.62 115.52 2gr9 n SER 176 Ca -0.00 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.53 2gr9 n SER 176 Cb 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 2gr9 n SER 176 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gr9 n GLY 177 N 1.16 -3.03 0.64 0.23 0.00 0.21 -1.37 105.19 103.04 2gr9 n GLY 177 Ca 0.16 0.47 0.47 0.00 0.00 0.00 0.00 46.02 47.12 2gr9 n GLY 177 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2gr9 h PRO 178 N 0.00 0.01 -0.02 1.61 0.11 -1.79 2.17 132.00 134.09 2gr9 h PRO 178 Ca 0.00 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.98 2gr9 h PRO 178 Cb 0.00 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2gr9 h PRO 178 CO 0.00 0.01 -0.61 0.00 -0.21 0.00 0.00 178.00 177.19 2gr9 h ALA 179 N 1.19 0.95 0.34 -0.75 0.00 -1.51 -1.04 119.26 118.44 2gr9 h ALA 179 Ca 0.85 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2gr9 h ALA 179 Cb 3.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 20.99 2gr9 h ALA 179 CO -0.08 0.76 -0.16 1.88 0.00 0.00 0.00 179.25 181.64 2gr9 h TYR 180 N 0.05 -0.43 -0.07 0.00 0.99 0.39 -3.01 116.97 114.89 2gr9 h TYR 180 Ca -0.01 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.72 2gr9 h TYR 180 Cb 1.09 0.14 -0.01 0.00 1.00 0.00 0.00 36.73 38.95 2gr9 h TYR 180 CO 0.01 -0.10 -0.09 0.00 -0.00 0.00 0.00 178.16 177.97 2gr9 h ALA 181 N -0.30 -0.36 -1.40 3.88 0.00 -1.12 0.11 119.26 120.07 2gr9 h ALA 181 Ca -0.05 0.00 0.46 0.00 0.00 0.00 0.00 54.91 55.32 2gr9 h ALA 181 Cb 0.52 0.79 -0.13 0.00 0.00 0.00 0.00 17.79 18.97 2gr9 h ALA 181 CO 0.08 -0.41 0.92 0.74 0.00 0.00 0.00 179.25 180.58 2gr9 h PHE 182 N -0.06 0.46 -0.00 0.00 0.05 -1.28 2.61 116.94 118.71 2gr9 h PHE 182 Ca 0.01 0.02 -0.13 0.00 3.82 0.00 0.00 57.97 61.69 2gr9 h PHE 182 Cb 0.10 -0.11 -0.02 0.00 2.00 0.00 0.00 35.95 37.92 2gr9 h PHE 182 CO -0.64 -0.20 -0.64 1.15 -0.18 0.00 0.00 178.31 177.80 2gr9 h THR 183 N 0.05 1.46 0.25 -1.55 2.02 -0.67 -2.74 112.91 111.73 2gr9 h THR 183 Ca 0.85 -2.19 -0.01 0.00 0.77 0.00 0.00 66.41 65.82 2gr9 h THR 183 Cb 2.76 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 71.36 2gr9 h THR 183 CO -0.39 0.63 -0.12 0.00 0.37 0.00 0.00 175.52 176.01 2gr9 h ALA 184 N 1.36 -1.01 -0.92 6.16 0.00 0.54 -2.94 119.26 122.45 2gr9 h ALA 184 Ca -0.01 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 54.97 2gr9 h ALA 184 Cb 1.13 0.13 -0.15 0.00 0.00 0.00 0.00 17.79 18.90 2gr9 h ALA 184 CO 0.08 -0.99 -0.41 -0.07 0.00 0.00 0.00 179.25 177.87 2gr9 h LEU 185 N -0.35 -1.48 -0.99 0.00 3.38 -1.48 0.76 115.31 115.14 2gr9 h LEU 185 Ca -0.03 0.30 0.16 0.00 0.09 0.00 0.00 57.88 58.40 2gr9 h LEU 185 Cb 0.26 0.75 -0.10 0.00 0.09 0.00 0.00 40.66 41.66 2gr9 h LEU 185 CO 0.06 -0.29 0.60 -0.78 0.09 0.00 0.00 178.44 178.12 2gr9 h ASP 186 N -0.03 0.81 -0.06 -0.43 3.58 -1.55 0.29 116.42 119.03 2gr9 h ASP 186 Ca 0.30 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.83 2gr9 h ASP 186 Cb 0.57 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 2gr9 h ASP 186 CO -0.93 0.34 0.00 0.00 -2.88 0.00 0.00 179.24 175.77 2gr9 h ALA 187 N 1.60 0.08 -0.87 -0.78 0.00 0.60 -1.34 119.26 118.55 2gr9 h ALA 187 Ca 0.54 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.38 2gr9 h ALA 187 Cb 0.75 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2gr9 h ALA 187 CO -0.34 -0.26 0.57 -0.07 0.00 0.00 0.00 179.25 179.15 2gr9 h LEU 188 N -0.19 0.79 0.84 0.00 3.38 0.50 -0.54 115.31 120.09 2gr9 h LEU 188 Ca 0.02 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2gr9 h LEU 188 Cb 0.33 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.94 2gr9 h LEU 188 CO 0.00 0.48 -0.40 0.00 0.09 0.00 0.00 178.44 178.61 2gr9 h ALA 189 N 1.56 -1.13 -1.03 1.53 0.00 -0.21 0.90 119.26 120.88 2gr9 h ALA 189 Ca 0.40 -0.25 0.31 0.00 0.00 0.00 0.00 54.91 55.37 2gr9 h ALA 189 Cb 0.37 0.44 -0.14 0.00 0.00 0.00 0.00 17.79 18.46 2gr9 h ALA 189 CO -0.16 -1.11 0.61 -0.44 0.00 0.00 0.00 179.25 178.15 2gr9 h ASP 190 N -1.18 0.52 0.00 0.00 3.45 -0.57 0.14 116.42 118.78 2gr9 h ASP 190 Ca -0.12 0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.51 2gr9 h ASP 190 Cb 0.87 0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.75 2gr9 h ASP 190 CO 0.19 -0.07 0.00 0.61 -1.57 0.00 0.00 179.24 178.39 2gr9 n GLY 191 N -1.33 -1.92 0.57 2.75 0.00 -0.27 -0.10 105.19 104.88 2gr9 n GLY 191 Ca 0.31 0.00 0.46 0.00 0.00 0.00 0.00 46.02 46.78 2gr9 n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gr9 n GLY 192 N -0.11 -0.90 0.13 -0.02 0.00 0.25 0.99 105.19 105.54 2gr9 n GLY 192 Ca 0.00 0.73 -0.12 0.00 0.00 0.00 0.00 46.02 46.63 2gr9 n GLY 192 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2gr9 h VAL 193 N 0.00 0.92 -0.38 1.61 2.07 -0.52 0.25 116.25 120.19 2gr9 h VAL 193 Ca 0.90 -1.03 0.11 0.00 0.82 0.00 0.00 66.70 67.50 2gr9 h VAL 193 Cb 3.23 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 34.46 2gr9 h VAL 193 CO -0.27 0.22 0.43 0.50 0.02 0.00 0.00 177.57 178.46 2gr9 h LYS 194 N -0.78 0.00 -0.67 1.57 3.64 0.42 1.25 116.57 122.00 2gr9 h LYS 194 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2gr9 h LYS 194 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2gr9 h LYS 194 CO 0.04 0.00 0.00 -1.33 -2.27 0.00 0.00 179.45 175.89 2gr9 n MET 195 N -3.68 3.53 -0.91 1.90 2.81 -0.35 -4.92 117.12 115.51 2gr9 n MET 195 Ca 0.07 -2.20 0.00 0.00 -1.81 0.00 0.00 57.70 53.75 2gr9 n MET 195 Cb 0.60 -1.94 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 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 0.61 0.47 3.89 3.03 0.00 0.43 -5.03 105.19 108.60 2gr9 n GLY 196 Ca 0.20 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 4.01 0.61 0.99 1.43 0.86 -4.97 118.68 121.61 2gr9 s LEU 197 Ca 0.00 0.85 -0.16 0.00 -1.03 0.00 0.00 54.13 53.79 2gr9 s LEU 197 Cb 0.00 -3.68 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 2gr9 s LEU 197 CO 0.00 -0.24 1.08 -2.16 0.23 0.00 0.00 176.35 175.26 2gr9 s PRO 198 N -3.55 3.16 0.00 1.29 0.04 -1.26 -4.40 135.00 130.28 2gr9 s PRO 198 Ca 0.46 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2gr9 s PRO 198 Cb -0.11 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2gr9 s PRO 198 CO 0.29 -0.95 0.92 -2.13 0.04 0.00 0.00 177.00 175.17 2gr9 n ARG 199 N -2.09 0.00 -0.33 4.56 3.00 -1.26 -2.43 116.66 118.11 2gr9 n ARG 199 Ca 0.09 0.55 0.22 0.00 -0.00 0.00 0.00 57.85 58.71 2gr9 n ARG 199 Cb 0.52 -1.42 0.44 0.00 0.00 0.00 0.00 32.46 32.00 2gr9 n ARG 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2gr9 h ARG 200 N 0.00 0.32 0.22 -0.14 3.08 -1.99 0.96 114.38 116.82 2gr9 h ARG 200 Ca 0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2gr9 h ARG 200 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2gr9 h ARG 200 CO 0.00 0.21 -0.17 1.25 -1.07 0.00 0.00 179.97 180.20 2gr9 h LEU 201 N 0.33 -0.43 0.19 3.04 5.85 -1.95 -1.85 115.31 120.50 2gr9 h LEU 201 Ca 0.70 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.46 2gr9 h LEU 201 Cb 1.55 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.69 2gr9 h LEU 201 CO -0.60 -0.26 -0.39 0.00 -0.34 0.00 0.00 178.44 176.84 2gr9 h ALA 202 N 0.36 -0.95 -0.98 1.25 0.00 -0.51 -0.73 119.26 117.70 2gr9 h ALA 202 Ca -0.01 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.95 2gr9 h ALA 202 Cb 0.35 0.73 -0.16 0.00 0.00 0.00 0.00 17.79 18.71 2gr9 h ALA 202 CO -0.01 -1.02 -0.36 0.28 0.00 0.00 0.00 179.25 178.15 2gr9 n VAL 203 N -4.72 -0.50 0.24 0.00 0.31 -0.60 0.32 118.33 113.39 2gr9 n VAL 203 Ca -0.07 2.28 0.14 0.00 -0.01 0.00 0.00 64.34 66.68 2gr9 n VAL 203 Cb 0.32 -3.04 0.45 0.00 -0.91 0.00 0.00 33.84 30.66 2gr9 n VAL 203 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2gr9 h ARG 204 N 0.00 0.00 0.02 5.55 2.47 -1.05 -2.13 114.38 119.24 2gr9 h ARG 204 Ca 0.37 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 59.02 2gr9 h ARG 204 Cb 0.61 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.94 2gr9 h ARG 204 CO -0.98 0.07 -0.27 -0.07 0.56 0.00 0.00 179.97 179.28 2gr9 h LEU 205 N 0.00 0.20 -0.20 3.04 3.38 0.14 -0.99 115.31 120.87 2gr9 h LEU 205 Ca -0.00 -0.86 0.04 0.00 0.09 0.00 0.00 57.88 57.15 2gr9 h LEU 205 Cb 0.75 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2gr9 h LEU 205 CO 0.01 1.04 -0.05 1.23 0.09 0.00 0.00 178.44 180.75 2gr9 h GLY 206 N -0.62 0.14 -0.02 0.83 0.00 -0.99 0.16 103.07 102.58 2gr9 h GLY 206 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2gr9 h GLY 206 CO 0.05 -0.08 -0.08 0.00 0.00 0.00 0.00 176.54 176.43 2gr9 h ALA 207 N 1.20 -0.51 -0.79 3.60 0.00 -1.45 0.10 119.26 121.41 2gr9 h ALA 207 Ca 0.10 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.23 2gr9 h ALA 207 Cb 0.15 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2gr9 h ALA 207 CO -0.21 -0.54 0.77 0.37 0.00 0.00 0.00 179.25 179.64 2gr9 h GLN 208 N -0.09 0.00 0.00 0.00 5.75 -0.95 0.57 115.11 120.39 2gr9 h GLN 208 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2gr9 h GLN 208 Cb 0.10 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.65 2gr9 h GLN 208 CO -0.06 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 176.12 2gr9 n ALA 209 N -2.42 -0.18 -0.33 3.38 0.00 0.54 -1.92 120.51 119.59 2gr9 n ALA 209 Ca 0.17 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.77 2gr9 n ALA 209 Cb 1.04 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.89 2gr9 n ALA 209 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2gr9 h LEU 210 N 0.00 0.65 -0.29 0.00 3.38 -0.14 0.46 115.31 119.37 2gr9 h LEU 210 Ca 0.00 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.11 2gr9 h LEU 210 Cb 0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 2gr9 h LEU 210 CO 0.00 0.21 -0.04 0.25 0.09 0.00 0.00 178.44 178.95 2gr9 h LEU 211 N 0.62 -0.20 0.03 1.67 7.12 0.02 -2.08 115.31 122.49 2gr9 h LEU 211 Ca 0.56 0.08 -0.00 0.00 0.13 0.00 0.00 57.88 58.65 2gr9 h LEU 211 Cb 1.07 0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.36 2gr9 h LEU 211 CO -0.33 -0.07 -0.02 1.23 -0.13 0.00 0.00 178.44 179.12 2gr9 h GLY 212 N 0.03 -0.05 -0.92 3.75 0.00 0.13 -2.45 103.07 103.57 2gr9 h GLY 212 Ca 0.14 0.02 0.19 0.00 0.00 0.00 0.00 47.33 47.67 2gr9 h GLY 212 CO -0.27 -0.02 -0.26 0.00 0.00 0.00 0.00 176.54 176.00 2gr9 h ALA 213 N 0.15 0.57 0.56 3.60 0.00 -0.20 0.27 119.26 124.22 2gr9 h ALA 213 Ca -0.00 0.36 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 2gr9 h ALA 213 Cb 0.66 0.76 0.01 0.00 0.00 0.00 0.00 17.79 19.21 2gr9 h ALA 213 CO 0.01 -0.41 -0.27 0.00 0.00 0.00 0.00 179.25 178.57 2gr9 h ALA 214 N 1.88 -0.76 -0.83 0.00 0.00 -1.44 -0.70 119.26 117.42 2gr9 h ALA 214 Ca 0.45 -0.20 0.24 0.00 0.00 0.00 0.00 54.91 55.40 2gr9 h ALA 214 Cb 0.69 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2gr9 h ALA 214 CO -0.98 -0.79 0.65 -0.22 0.00 0.00 0.00 179.25 177.91 2gr9 h LYS 215 N -1.02 0.00 -0.04 0.00 3.64 -0.84 0.47 116.57 118.77 2gr9 h LYS 215 Ca -0.08 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 2gr9 h LYS 215 Cb 0.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2gr9 h LYS 215 CO 0.13 0.00 -0.13 1.98 -2.27 0.00 0.00 179.45 179.16 2gr9 h MET 216 N 0.00 0.17 -0.52 1.90 4.05 -0.07 -3.14 114.93 117.32 2gr9 h MET 216 Ca 0.39 -0.12 0.01 0.00 -0.28 0.00 0.00 59.70 59.71 2gr9 h MET 216 Cb 1.69 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 32.48 2gr9 h MET 216 CO -0.00 0.74 0.34 1.25 0.23 0.00 0.00 176.91 179.47 2gr9 h LEU 217 N -0.37 0.57 0.00 3.39 5.85 0.13 -1.27 115.31 123.61 2gr9 h LEU 217 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2gr9 h LEU 217 Cb 0.75 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2gr9 h LEU 217 CO 0.03 0.41 0.00 0.18 -0.34 0.00 0.00 178.44 178.72 2gr9 n LEU 218 N -4.46 0.00 0.00 2.25 4.77 0.32 -3.43 117.00 116.45 2gr9 n LEU 218 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2gr9 n LEU 218 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2gr9 n LEU 218 CO 0.35 0.00 0.37 1.41 -1.33 0.00 0.00 177.39 178.19 2gr9 n HIS 219 N -1.00 0.00 0.00 -1.77 8.25 -0.48 -4.84 115.22 115.38 2gr9 n HIS 219 Ca 0.17 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2gr9 n HIS 219 Cb 0.08 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.16 2gr9 n HIS 219 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2gr9 n SER 220 N -0.26 1.34 0.00 0.41 3.41 -1.21 -5.03 113.62 112.27 2gr9 n SER 220 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2gr9 n SER 220 Cb 0.21 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2gr9 n SER 220 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2gr9 n GLU 221 N -0.49 0.00 0.00 4.33 1.02 -1.22 -4.81 120.64 119.47 2gr9 n GLU 221 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2gr9 n GLU 221 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.44 2gr9 n GLU 221 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2gr9 n GLN 222 N 0.00 0.00 0.00 3.49 1.13 -1.26 -4.40 117.38 116.34 2gr9 n GLN 222 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2gr9 n GLN 222 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 2gr9 n GLN 222 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2gr9 n HIS 223 N 0.00 0.00 -0.16 1.08 -0.00 -1.26 -4.62 115.22 110.26 2gr9 n HIS 223 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.74 2gr9 n HIS 223 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.04 2gr9 n HIS 223 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2gr9 n PRO 224 N 0.00 -0.05 0.14 1.57 -0.02 -1.26 0.12 135.00 135.50 2gr9 n PRO 224 Ca 0.00 0.67 -0.01 0.00 -2.02 0.00 0.00 63.50 62.14 2gr9 n PRO 224 Cb 0.00 -0.99 0.19 0.00 -0.02 0.00 0.00 33.50 32.68 2gr9 n PRO 224 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2gr9 h GLY 225 N 0.00 0.00 2.00 -1.23 0.00 -1.96 -1.12 103.07 100.76 2gr9 h GLY 225 Ca 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.47 2gr9 h GLY 225 CO -0.44 0.00 -0.27 -1.61 0.00 0.00 0.00 176.54 174.22 2gr9 h GLN 226 N 0.00 0.00 0.16 4.80 5.75 0.68 -1.29 115.11 125.21 2gr9 h GLN 226 Ca -0.01 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.15 2gr9 h GLN 226 Cb 1.06 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.60 2gr9 h GLN 226 CO 0.08 0.27 -1.79 -0.07 -2.65 0.00 0.00 178.83 174.67 2gr9 h LEU 227 N 0.00 0.51 -1.97 -2.39 3.38 -1.22 -3.10 115.31 110.53 2gr9 h LEU 227 Ca -0.00 -0.85 0.01 0.00 0.09 0.00 0.00 57.88 57.13 2gr9 h LEU 227 Cb 0.59 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2gr9 h LEU 227 CO 0.04 1.73 0.04 0.50 0.09 0.00 0.00 178.44 180.84 2gr9 h LYS 228 N 0.09 0.03 0.47 1.13 3.64 -0.90 -2.35 116.57 118.69 2gr9 h LYS 228 Ca -0.35 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 2gr9 h LYS 228 Cb 2.07 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.89 2gr9 h LYS 228 CO 0.15 0.02 -0.23 -0.44 -2.27 0.00 0.00 179.45 176.69 2gr9 h ASP 229 N 0.04 -0.54 0.00 4.20 5.19 -1.33 -3.10 116.42 120.87 2gr9 h ASP 229 Ca 0.03 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 2gr9 h ASP 229 Cb 0.06 0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.71 2gr9 h ASP 229 CO -0.00 -0.12 0.00 0.59 -3.12 0.00 0.00 179.24 176.59 2gr9 n ASN 230 N -5.20 0.00 0.00 6.45 4.13 -0.91 -0.61 115.26 119.13 2gr9 n ASN 230 Ca -0.08 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.18 2gr9 n ASN 230 Cb 0.25 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.49 2gr9 n ASN 230 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2gr9 n VAL 231 N -0.70 0.00 -4.13 2.41 0.31 -1.07 -5.03 118.33 110.12 2gr9 n VAL 231 Ca 0.00 -0.46 -0.26 0.00 -0.01 0.00 0.00 64.34 63.61 2gr9 n VAL 231 Cb 0.00 1.07 -0.06 0.00 -0.91 0.00 0.00 33.84 33.93 2gr9 n VAL 231 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2gr9 s SER 232 N -0.18 5.23 -0.07 4.52 0.15 0.22 -4.86 113.70 118.71 2gr9 s SER 232 Ca 0.00 -0.24 0.04 0.00 0.70 0.00 0.00 55.95 56.46 2gr9 s SER 232 Cb 0.00 -1.27 -0.00 0.00 -1.71 0.00 0.00 66.02 63.03 2gr9 s SER 232 CO 0.00 0.08 -0.21 -0.55 1.20 0.00 0.00 173.24 173.76 2gr9 s SER 233 N -3.05 2.63 0.30 5.45 0.15 -1.26 -4.99 113.70 112.92 2gr9 s SER 233 Ca 0.30 -0.45 0.22 0.00 0.70 0.00 0.00 55.95 56.72 2gr9 s SER 233 Cb -0.10 -0.96 0.99 0.00 -1.71 0.00 0.00 66.02 64.25 2gr9 s SER 233 CO 0.21 0.16 1.03 -2.65 1.20 0.00 0.00 173.24 173.19 2gr9 n PRO 234 N 3.32 -0.02 0.00 5.44 -0.02 -1.26 -2.35 135.00 140.11 2gr9 n PRO 234 Ca -0.19 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2gr9 n PRO 234 Cb 0.52 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2gr9 n PRO 234 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gr9 n GLY 235 N -1.36 -2.20 0.00 -1.23 0.00 -1.26 -5.07 105.19 94.07 2gr9 n GLY 235 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 0.15 3.43 5.59 -0.02 0.00 -0.99 -4.92 105.19 108.43 2gr9 n GLY 236 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.12 4.61 0.00 -1.26 -3.60 120.51 117.39 2gr9 n ALA 237 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2gr9 n ALA 237 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2gr9 n ALA 237 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2gr9 h THR 238 N 0.00 0.74 -0.40 0.00 2.02 -1.91 -1.88 112.91 111.48 2gr9 h THR 238 Ca 0.00 -0.75 0.12 0.00 0.77 0.00 0.00 66.41 66.54 2gr9 h THR 238 Cb 0.00 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2gr9 h THR 238 CO 0.00 0.14 0.33 -0.29 0.37 0.00 0.00 175.52 176.08 2gr9 h ILE 239 N -0.78 0.61 0.04 3.11 6.09 -1.85 0.47 117.51 125.21 2gr9 h ILE 239 Ca -0.04 0.00 -0.23 0.00 -1.37 0.00 0.00 64.86 63.22 2gr9 h ILE 239 Cb 0.51 0.75 -0.00 0.00 0.47 0.00 0.00 36.82 38.55 2gr9 h ILE 239 CO 0.06 0.00 -1.02 0.45 -3.07 0.00 0.00 178.15 174.57 2gr9 h HIS 240 N 0.00 0.45 0.65 2.19 3.86 -1.76 -2.69 115.15 117.86 2gr9 h HIS 240 Ca 0.19 -0.27 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 2gr9 h HIS 240 Cb 0.86 -0.04 0.01 0.00 1.06 0.00 0.00 27.41 29.29 2gr9 h HIS 240 CO 0.00 1.13 -0.31 0.00 0.86 0.00 0.00 177.93 179.61 2gr9 h ALA 241 N 0.77 -0.88 -0.24 2.45 0.00 0.64 -3.09 119.26 118.91 2gr9 h ALA 241 Ca -0.08 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.64 2gr9 h ALA 241 Cb 1.69 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.78 2gr9 h ALA 241 CO 0.17 -0.86 -0.18 -0.07 0.00 0.00 0.00 179.25 178.31 2gr9 h LEU 242 N -1.15 -0.63 -1.60 0.00 3.38 -0.77 0.56 115.31 115.10 2gr9 h LEU 242 Ca -0.09 0.09 0.46 0.00 0.09 0.00 0.00 57.88 58.44 2gr9 h LEU 242 Cb 0.70 0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 2gr9 h LEU 242 CO 0.15 -0.09 1.23 1.57 0.09 0.00 0.00 178.44 181.39 2gr9 n HIS 243 N -3.63 0.00 0.05 1.13 -0.00 -1.01 0.15 115.22 111.91 2gr9 n HIS 243 Ca 0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 2gr9 n HIS 243 Cb 0.09 -0.40 -0.13 0.00 -0.12 0.00 0.00 29.99 29.43 2gr9 n HIS 243 CO 0.00 0.00 0.00 -0.24 0.46 0.00 0.00 176.34 176.56 2gr9 h VAL 244 N 0.00 1.45 0.45 3.57 3.04 0.20 -2.61 116.25 122.35 2gr9 h VAL 244 Ca 0.76 -3.16 -0.02 0.00 -1.01 0.00 0.00 66.70 63.27 2gr9 h VAL 244 Cb 3.21 2.78 0.00 0.00 -2.01 0.00 0.00 31.29 35.28 2gr9 h VAL 244 CO -0.01 0.86 -0.22 -0.07 -1.01 0.00 0.00 177.57 177.12 2gr9 h LEU 245 N 0.02 -0.51 -1.16 3.16 3.38 0.17 -2.89 115.31 117.48 2gr9 h LEU 245 Ca -0.11 0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.15 2gr9 h LEU 245 Cb 1.88 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.72 2gr9 h LEU 245 CO 0.14 -0.29 1.11 -0.33 0.09 0.00 0.00 178.44 179.15 2gr9 h GLU 246 N -0.75 0.00 0.00 1.13 4.39 -1.41 2.56 114.58 120.51 2gr9 h GLU 246 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2gr9 h GLU 246 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2gr9 h GLU 246 CO 0.10 0.00 -0.25 0.43 -1.16 0.00 0.00 179.01 178.13 2gr9 n SER 247 N -3.29 0.59 -1.14 1.42 7.64 -0.98 -3.05 113.62 114.81 2gr9 n SER 247 Ca 0.21 0.32 0.08 0.00 1.01 0.00 0.00 58.87 60.49 2gr9 n SER 247 Cb 1.40 -0.32 0.27 0.00 -1.01 0.00 0.00 64.21 64.55 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 1.38 3.02 2.97 0.23 0.00 0.86 -4.93 105.19 108.72 2gr9 n GLY 248 Ca 0.05 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 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 0.62 -0.52 0.00 -0.02 0.00 -1.08 -4.91 105.19 99.28 2gr9 n GLY 249 Ca 0.20 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.50 0.00 -0.33 1.61 7.35 -1.15 -2.03 117.46 118.41 2gr9 n PHE 250 Ca -0.13 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 56.78 2gr9 n PHE 250 Cb 0.63 -0.12 0.41 0.00 0.35 0.00 0.00 39.48 40.75 2gr9 n PHE 250 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 2gr9 h ARG 251 N 0.00 0.04 0.08 -4.13 0.11 -1.91 0.11 114.38 108.68 2gr9 h ARG 251 Ca 0.00 -0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.10 2gr9 h ARG 251 Cb 0.00 -0.01 -0.05 0.00 1.11 0.00 0.00 29.97 31.02 2gr9 h ARG 251 CO 0.00 0.02 -0.46 1.03 0.10 0.00 0.00 179.97 180.66 2gr9 h SER 252 N 0.04 -1.39 -0.92 0.08 0.87 -1.83 -2.24 113.55 108.16 2gr9 h SER 252 Ca 0.69 0.16 0.26 0.00 -1.23 0.00 0.00 61.79 61.67 2gr9 h SER 252 Cb 1.61 0.53 -0.14 0.00 -0.44 0.00 0.00 62.40 63.95 2gr9 h SER 252 CO -0.83 -0.51 0.33 -0.07 -0.53 0.00 0.00 176.83 175.22 2gr9 h LEU 253 N -0.67 0.15 -0.95 2.23 3.38 -0.16 0.43 115.31 119.72 2gr9 h LEU 253 Ca 0.02 0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.21 2gr9 h LEU 253 Cb 0.71 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 2gr9 h LEU 253 CO -0.29 -0.15 0.62 -0.07 0.09 0.00 0.00 178.44 178.65 2gr9 h LEU 254 N 0.24 1.05 0.59 1.67 3.38 -1.36 -0.25 115.31 120.64 2gr9 h LEU 254 Ca 0.61 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.53 2gr9 h LEU 254 Cb 1.28 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2gr9 h LEU 254 CO -0.64 0.74 -0.29 0.40 0.09 0.00 0.00 178.44 178.74 2gr9 h ILE 255 N 1.23 0.41 -0.95 1.22 1.08 0.01 -1.25 117.51 119.26 2gr9 h ILE 255 Ca 0.36 0.00 0.26 0.00 -0.39 0.00 0.00 64.86 65.09 2gr9 h ILE 255 Cb -0.06 0.41 -0.17 0.00 -3.07 0.00 0.00 36.82 33.92 2gr9 h ILE 255 CO -0.10 0.00 0.04 0.78 -0.69 0.00 0.00 178.15 178.18 2gr9 h ASN 256 N -0.80 -0.43 0.63 1.72 4.21 -0.77 -0.10 115.58 120.05 2gr9 h ASN 256 Ca -0.08 0.26 -0.02 0.00 1.21 0.00 0.00 56.30 57.67 2gr9 h ASN 256 Cb 0.62 0.45 -0.01 0.00 -1.12 0.00 0.00 38.32 38.26 2gr9 h ASN 256 CO 0.13 -0.32 -0.47 0.00 -1.29 0.00 0.00 177.43 175.48 2gr9 h ALA 257 N 1.93 -1.20 -0.79 -0.83 0.00 -0.18 -2.01 119.26 116.18 2gr9 h ALA 257 Ca 0.57 -0.21 0.23 0.00 0.00 0.00 0.00 54.91 55.50 2gr9 h ALA 257 Cb 1.16 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 2gr9 h ALA 257 CO -0.87 -1.19 0.56 0.28 0.00 0.00 0.00 179.25 178.03 2gr9 h VAL 258 N -1.06 0.61 0.00 0.00 2.07 0.03 -1.12 116.25 116.79 2gr9 h VAL 258 Ca -0.08 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2gr9 h VAL 258 Cb 0.87 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2gr9 h VAL 258 CO 0.03 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.00 2gr9 n GLU 259 N -4.31 0.00 0.00 1.57 1.02 -0.28 -2.74 120.64 115.90 2gr9 n GLU 259 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2gr9 n GLU 259 Cb 0.85 -0.60 0.00 0.00 -0.02 0.00 0.00 31.44 31.67 2gr9 n GLU 259 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gr9 n ALA 260 N -1.51 0.00 0.14 0.62 0.00 -0.79 0.18 120.51 119.16 2gr9 n ALA 260 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2gr9 n ALA 260 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2gr9 n ALA 260 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2gr9 h SER 261 N 0.00 -0.73 -0.18 0.00 0.87 -1.33 -1.31 113.55 110.87 2gr9 h SER 261 Ca 0.00 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 2gr9 h SER 261 Cb 0.00 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 2gr9 h SER 261 CO 0.00 -0.34 -0.22 0.00 -0.53 0.00 0.00 176.83 175.74 2gr9 n ILE 263 N -3.76 -0.52 0.19 0.00 2.08 -0.36 -0.71 119.36 116.28 2gr9 n ILE 263 Ca -0.01 2.20 -0.15 0.00 0.56 0.00 0.00 62.75 65.36 2gr9 n ILE 263 Cb 0.13 -2.87 -0.08 0.00 -0.75 0.00 0.00 39.64 36.08 2gr9 n ILE 263 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 2gr9 h ARG 264 N 0.00 -0.44 -1.40 0.38 9.65 -0.47 -0.20 114.38 121.90 2gr9 h ARG 264 Ca 0.29 0.03 0.41 0.00 -1.10 0.00 0.00 59.98 59.61 2gr9 h ARG 264 Cb 0.52 0.10 -0.07 0.00 -1.39 0.00 0.00 29.97 29.13 2gr9 h ARG 264 CO -0.92 -0.29 0.98 1.15 2.80 0.00 0.00 179.97 183.69 2gr9 h THR 265 N -0.46 0.27 0.12 0.20 2.02 0.18 0.24 112.91 115.48 2gr9 h THR 265 Ca -0.03 -0.02 -0.29 0.00 0.77 0.00 0.00 66.41 66.84 2gr9 h THR 265 Cb 0.37 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2gr9 h THR 265 CO 0.04 0.01 -1.38 0.03 0.37 0.00 0.00 175.52 174.59 2gr9 h ARG 266 N 0.06 0.24 0.00 6.66 3.08 0.33 -3.26 114.38 121.50 2gr9 h ARG 266 Ca 0.71 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2gr9 h ARG 266 Cb 2.62 0.16 0.00 0.00 0.08 0.00 0.00 29.97 32.83 2gr9 h ARG 266 CO -0.11 1.14 0.00 0.39 -1.07 0.00 0.00 179.97 180.32 2gr9 n GLU 267 N -3.48 0.08 0.05 0.04 1.02 0.76 -2.70 120.64 116.42 2gr9 n GLU 267 Ca -0.12 0.24 -0.11 0.00 -0.02 0.00 0.00 57.16 57.14 2gr9 n GLU 267 Cb 1.03 -1.63 -0.13 0.00 -0.02 0.00 0.00 31.44 30.69 2gr9 n GLU 267 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2gr9 h LEU 268 N 0.00 0.17 0.00 -4.62 3.38 -1.36 -3.22 115.31 109.67 2gr9 h LEU 268 Ca 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2gr9 h LEU 268 Cb 0.39 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2gr9 h LEU 268 CO 0.00 1.18 -0.07 0.06 0.09 0.00 0.00 178.44 179.71 2gr9 h GLN 269 N 0.03 0.00 -0.18 1.13 3.07 -1.62 -2.37 115.11 115.17 2gr9 h GLN 269 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.59 2gr9 h GLN 269 Cb 1.92 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.48 2gr9 h GLN 269 CO 0.14 0.00 0.00 0.43 0.09 0.00 0.00 178.83 179.49 2gr9 n SER 270 N -3.03 0.21 0.00 0.06 7.64 -1.10 -2.24 113.62 115.16 2gr9 n SER 270 Ca 0.04 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 57.92 2gr9 n SER 270 Cb 0.53 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 2gr9 n SER 270 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2gr9 n MET 271 N -0.40 3.37 0.00 1.43 2.81 -1.10 -4.63 117.12 118.60 2gr9 n MET 271 Ca 0.00 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 56.03 2gr9 n MET 271 Cb 0.05 -0.65 0.59 0.00 -0.71 0.00 0.00 33.22 32.49 2gr9 n MET 271 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2gr9 n ALA 272 N -0.59 2.67 -2.66 3.04 0.00 -0.91 -3.41 120.51 118.66 2gr9 n ALA 272 Ca 0.00 -0.38 -0.32 0.00 0.00 0.00 0.00 53.44 52.74 2gr9 n ALA 272 Cb 0.04 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.25 2gr9 n ALA 272 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2gr9 n ASP 273 N -0.23 5.59 0.00 0.00 8.00 -0.95 -4.80 116.55 124.16 2gr9 n ASP 273 Ca 0.19 -3.71 0.00 0.00 0.71 0.00 0.00 54.79 51.97 2gr9 n ASP 273 Cb 0.31 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 2gr9 n ASP 273 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gr9 n GLN 274 N -0.28 0.00 0.00 -1.24 10.64 -1.26 -4.97 117.38 120.27 2gr9 n GLN 274 Ca 0.39 0.00 0.07 0.00 -1.83 0.00 0.00 57.00 55.63 2gr9 n GLN 274 Cb 0.40 0.00 0.06 0.00 -0.86 0.00 0.00 30.24 29.83 2gr9 n GLN 274 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38