#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gej s ARG 2 N 0.00 2.57 -0.21 0.03 0.52 -1.26 -0.47 118.95 120.13 2gej s ARG 2 Ca 0.00 -1.32 -0.09 0.00 -0.52 0.00 0.00 55.73 53.80 2gej s ARG 2 Cb 0.00 -3.58 -0.04 0.00 0.52 0.00 0.00 34.95 31.84 2gej s ARG 2 CO 0.00 -0.79 0.10 0.42 0.02 0.00 0.00 175.30 175.05 2gej s ILE 3 N 1.39 5.02 -0.13 1.52 1.09 0.21 -0.48 121.20 129.82 2gej s ILE 3 Ca 0.01 0.06 -0.14 0.00 -1.10 0.00 0.00 60.65 59.47 2gej s ILE 3 Cb -0.21 -3.30 -0.05 0.00 -1.06 0.00 0.00 42.46 37.84 2gej s ILE 3 CO 0.02 0.41 0.34 -0.83 -0.10 0.00 0.00 174.94 174.78 2gej s GLY 4 N 0.69 2.28 0.05 6.18 0.00 -0.31 -0.58 107.32 115.62 2gej s GLY 4 Ca 0.05 -0.38 0.08 0.00 0.00 0.00 0.00 44.72 44.48 2gej s GLY 4 CO 0.01 0.41 -0.22 1.06 0.00 0.00 0.00 173.10 174.37 2gej s MET 5 N 0.18 1.93 -0.14 2.90 -1.94 0.24 -0.27 119.30 122.20 2gej s MET 5 Ca 0.19 -1.05 0.01 0.00 -1.71 0.00 0.00 55.69 53.13 2gej s MET 5 Cb -0.14 -2.10 -0.01 0.00 2.01 0.00 0.00 34.83 34.60 2gej s MET 5 CO 0.06 0.52 -0.16 0.08 -0.01 0.00 0.00 175.02 175.52 2gej s VAL 6 N -0.89 2.67 -0.16 -6.03 1.01 0.32 0.25 120.40 117.56 2gej s VAL 6 Ca 0.14 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 2gej s VAL 6 Cb -0.10 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 2gej s VAL 6 CO 0.04 0.53 -0.09 0.00 0.00 0.00 0.00 175.10 175.58 2gej n PRO 8 N 3.84 0.13 -4.01 0.00 -0.04 -1.26 -4.09 135.00 129.57 2gej n PRO 8 Ca -0.18 -0.05 -0.32 0.00 -0.04 0.00 0.00 63.50 62.91 2gej n PRO 8 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 2gej n PRO 8 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2gej s TYR 9 N -2.91 3.35 0.61 0.54 1.51 -1.26 -4.66 117.35 114.53 2gej s TYR 9 Ca 0.15 0.19 -0.19 0.00 -1.01 0.00 0.00 57.07 56.21 2gej s TYR 9 Cb 0.18 -1.71 -0.02 0.00 -0.11 0.00 0.00 41.96 40.30 2gej s TYR 9 CO 0.61 0.56 1.30 0.45 -1.11 0.00 0.00 175.55 177.36 2gej s SER 10 N -2.22 4.85 -0.03 2.29 0.15 -1.26 -4.35 113.70 113.13 2gej s SER 10 Ca 0.29 2.63 0.08 0.00 0.70 0.00 0.00 55.95 59.65 2gej s SER 10 Cb -0.12 -2.62 0.27 0.00 -1.71 0.00 0.00 66.02 61.83 2gej s SER 10 CO 0.21 -1.84 1.13 0.49 1.20 0.00 0.00 173.24 174.43 2gej n PHE 11 N -1.64 0.51 0.48 3.44 3.01 -1.26 -3.92 117.46 118.08 2gej n PHE 11 Ca 0.14 -0.22 0.12 0.00 1.01 0.00 0.00 57.45 58.50 2gej n PHE 11 Cb 0.47 -0.08 0.46 0.00 -0.01 0.00 0.00 39.48 40.32 2gej n PHE 11 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2gej n ASP 12 N 0.30 0.59 -3.68 4.37 8.00 -1.26 -4.71 116.55 120.15 2gej n ASP 12 Ca 0.10 0.62 -0.09 0.00 0.71 0.00 0.00 54.79 56.13 2gej n ASP 12 Cb 0.36 -0.75 -0.09 0.00 -0.02 0.00 0.00 41.12 40.61 2gej n ASP 12 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2gej s VAL 13 N -3.22 -0.18 0.67 2.53 1.01 -1.25 -4.99 120.40 114.96 2gej s VAL 13 Ca 0.06 0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.96 2gej s VAL 13 Cb 0.10 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.77 2gej s VAL 13 CO 0.42 0.03 1.22 -2.16 0.00 0.00 0.00 175.10 174.61 2gej s PRO 14 N 1.73 2.52 0.00 2.72 0.04 -1.26 -4.93 135.00 135.82 2gej s PRO 14 Ca -0.08 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2gej s PRO 14 Cb -0.08 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2gej s PRO 14 CO -0.15 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 175.75 2gej n GLY 15 N 0.46 0.70 0.33 0.56 0.00 -1.26 -5.03 105.19 100.94 2gej n GLY 15 Ca 0.14 -0.64 -0.05 0.00 0.00 0.00 0.00 46.02 45.47 2gej n GLY 15 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2gej h GLY 16 N 0.00 1.22 0.74 -0.02 0.00 -1.99 -1.54 103.07 101.48 2gej h GLY 16 Ca 0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.68 2gej h GLY 16 CO 0.00 0.55 -0.24 -2.08 0.00 0.00 0.00 176.54 174.77 2gej h VAL 17 N 1.13 1.38 -0.31 4.60 2.07 -1.99 -1.95 116.25 121.18 2gej h VAL 17 Ca 0.28 -1.51 0.05 0.00 0.82 0.00 0.00 66.70 66.35 2gej h VAL 17 Cb 0.06 2.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 2gej h VAL 17 CO -0.04 0.44 0.01 1.56 0.02 0.00 0.00 177.57 179.56 2gej h GLN 18 N -0.04 0.10 -0.40 1.57 7.50 -1.90 -0.97 115.11 120.97 2gej h GLN 18 Ca 0.01 -0.01 -0.11 0.00 0.50 0.00 0.00 58.65 59.04 2gej h GLN 18 Cb 0.82 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.32 2gej h GLN 18 CO 0.05 0.07 -0.20 1.03 -1.50 0.00 0.00 178.83 178.28 2gej h SER 19 N 0.10 0.78 0.47 1.46 0.87 -1.29 -1.37 113.55 114.57 2gej h SER 19 Ca 0.15 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 2gej h SER 19 Cb 0.19 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2gej h SER 19 CO -0.24 0.96 -0.33 -0.74 -0.53 0.00 0.00 176.83 175.95 2gej h HIS 20 N 0.68 -0.88 0.00 2.24 6.17 -0.92 -1.66 115.15 120.79 2gej h HIS 20 Ca 0.10 -0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.19 2gej h HIS 20 Cb 0.70 0.32 -0.02 0.00 2.52 0.00 0.00 27.41 30.94 2gej h HIS 20 CO 0.04 -0.49 -0.08 0.28 0.71 0.00 0.00 177.93 178.38 2gej h VAL 21 N -0.78 0.79 -0.74 5.26 2.07 -0.75 0.35 116.25 122.46 2gej h VAL 21 Ca -0.05 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.50 2gej h VAL 21 Cb 0.66 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 2gej h VAL 21 CO 0.03 0.00 0.46 -0.07 0.02 0.00 0.00 177.57 178.01 2gej h LEU 22 N -0.14 0.76 -0.17 2.57 3.38 -1.32 0.33 115.31 120.71 2gej h LEU 22 Ca 0.03 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.80 2gej h LEU 22 Cb 0.18 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.78 2gej h LEU 22 CO -0.08 0.52 -0.68 1.56 0.09 0.00 0.00 178.44 179.85 2gej h GLN 23 N 0.90 0.76 -0.51 1.13 4.20 -0.60 -2.64 115.11 118.34 2gej h GLN 23 Ca 0.30 -0.59 -0.08 0.00 0.06 0.00 0.00 58.65 58.34 2gej h GLN 23 Cb 0.03 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 2gej h GLN 23 CO -0.12 1.20 0.01 1.25 -0.67 0.00 0.00 178.83 180.51 2gej h LEU 24 N 0.48 0.83 -0.50 1.46 5.85 -0.09 -2.37 115.31 120.97 2gej h LEU 24 Ca -0.04 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 2gej h LEU 24 Cb 1.31 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 2gej h LEU 24 CO 0.14 0.88 0.22 0.00 -0.34 0.00 0.00 178.44 179.34 2gej h ALA 25 N 1.21 0.65 -0.68 1.25 0.00 -0.80 -1.61 119.26 119.27 2gej h ALA 25 Ca 0.15 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2gej h ALA 25 Cb 0.46 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2gej h ALA 25 CO 0.02 0.23 0.29 1.49 0.00 0.00 0.00 179.25 181.28 2gej h GLU 26 N 0.66 1.00 -0.15 0.00 4.81 -1.27 -0.76 114.58 118.88 2gej h GLU 26 Ca 0.17 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2gej h GLU 26 Cb 0.16 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2gej h GLU 26 CO -0.02 0.82 0.01 0.28 -0.73 0.00 0.00 179.01 179.37 2gej h VAL 27 N 0.95 1.24 -0.79 0.32 2.07 -1.23 0.22 116.25 119.04 2gej h VAL 27 Ca 0.23 -0.77 0.06 0.00 0.82 0.00 0.00 66.70 67.04 2gej h VAL 27 Cb 0.18 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 2gej h VAL 27 CO -0.02 0.23 0.52 -0.07 0.02 0.00 0.00 177.57 178.24 2gej h LEU 28 N 0.01 0.75 -0.27 2.57 4.07 -1.08 -1.95 115.31 119.41 2gej h LEU 28 Ca 0.04 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.90 2gej h LEU 28 Cb 0.34 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 2gej h LEU 28 CO 0.01 0.49 -0.26 0.03 -1.08 0.00 0.00 178.44 177.62 2gej h ARG 29 N 0.85 0.65 -0.47 1.13 3.08 -0.59 -2.04 114.38 116.98 2gej h ARG 29 Ca 0.34 -0.34 0.14 0.00 0.07 0.00 0.00 59.98 60.18 2gej h ARG 29 Cb 0.23 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2gej h ARG 29 CO -0.12 0.95 0.41 -0.44 -1.07 0.00 0.00 179.97 179.70 2gej h ASP 30 N 0.38 0.00 -0.40 7.04 3.32 -0.04 0.32 116.42 127.04 2gej h ASP 30 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2gej h ASP 30 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2gej h ASP 30 CO 0.07 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.59 2gej n ALA 31 N -2.48 2.44 0.00 3.45 0.00 -0.78 -4.95 120.51 118.19 2gej n ALA 31 Ca 0.09 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.66 2gej n ALA 31 Cb 0.61 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.10 2gej n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gej n GLY 32 N 1.36 3.13 3.83 0.00 0.00 0.10 -5.05 105.19 108.56 2gej n GLY 32 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2gej n GLY 32 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gej s HIS 33 N -2.72 3.27 -0.16 1.61 3.76 -0.83 -4.88 115.29 115.34 2gej s HIS 33 Ca 0.00 1.49 -0.17 0.00 -0.15 0.00 0.00 55.06 56.23 2gej s HIS 33 Cb 0.00 -2.88 -0.04 0.00 1.11 0.00 0.00 32.58 30.77 2gej s HIS 33 CO 0.00 -0.65 0.44 -1.21 -0.85 0.00 0.00 174.74 172.48 2gej s GLU 34 N -4.02 4.27 -0.01 1.40 2.02 0.38 -4.00 118.70 118.73 2gej s GLU 34 Ca 0.61 0.34 0.08 0.00 0.02 0.00 0.00 54.97 56.02 2gej s GLU 34 Cb -0.12 -3.48 -0.02 0.00 0.10 0.00 0.00 34.13 30.61 2gej s GLU 34 CO 0.32 0.07 -0.24 0.08 0.02 0.00 0.00 175.26 175.51 2gej s VAL 35 N 0.95 1.94 -0.10 2.63 1.01 -1.26 0.64 120.40 126.21 2gej s VAL 35 Ca 0.23 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.13 2gej s VAL 35 Cb -0.15 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.62 2gej s VAL 35 CO 0.09 0.50 -0.15 -0.55 0.00 0.00 0.00 175.10 174.99 2gej s SER 36 N -0.71 2.30 -0.20 3.32 0.15 0.25 -4.88 113.70 113.93 2gej s SER 36 Ca 0.10 -0.40 -0.03 0.00 0.70 0.00 0.00 55.95 56.32 2gej s SER 36 Cb -0.09 -1.03 -0.01 0.00 -1.71 0.00 0.00 66.02 63.17 2gej s SER 36 CO -0.00 0.03 -0.07 -0.69 1.20 0.00 0.00 173.24 173.71 2gej s VAL 37 N 0.87 3.25 -0.11 4.45 1.01 -0.10 0.79 120.40 130.55 2gej s VAL 37 Ca -0.09 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 2gej s VAL 37 Cb -0.15 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2gej s VAL 37 CO 0.01 0.45 0.04 -0.22 0.00 0.00 0.00 175.10 175.37 2gej s LEU 38 N 1.26 3.75 0.13 3.92 2.96 0.14 -0.11 118.68 130.73 2gej s LEU 38 Ca 0.03 0.18 -0.24 0.00 -0.22 0.00 0.00 54.13 53.87 2gej s LEU 38 Cb -0.14 -1.89 0.08 0.00 0.50 0.00 0.00 46.19 44.73 2gej s LEU 38 CO -0.03 0.33 0.66 0.00 -1.32 0.00 0.00 176.35 175.99 2gej s ALA 39 N -0.60 -1.64 0.75 5.97 0.00 -1.04 -0.05 121.76 125.14 2gej s ALA 39 Ca 0.11 0.60 -0.14 0.00 0.00 0.00 0.00 51.96 52.52 2gej s ALA 39 Cb -0.12 0.79 0.05 0.00 0.00 0.00 0.00 23.12 23.84 2gej s ALA 39 CO 0.02 -0.75 1.20 -2.14 0.00 0.00 0.00 175.76 174.09 2gej s PRO 40 N -3.59 2.04 0.02 0.00 0.02 -1.26 0.01 135.00 132.25 2gej s PRO 40 Ca 0.02 1.73 -0.34 0.00 0.02 0.00 0.00 61.00 62.42 2gej s PRO 40 Cb -0.01 -1.83 -0.17 0.00 0.02 0.00 0.00 34.50 32.51 2gej s PRO 40 CO -0.12 -1.90 0.90 0.00 -0.33 0.00 0.00 177.00 175.54 2gej n ALA 41 N -2.87 -3.23 -3.26 -1.55 0.00 -0.47 -4.61 120.51 104.51 2gej n ALA 41 Ca 0.13 0.52 -0.26 0.00 0.00 0.00 0.00 53.44 53.83 2gej n ALA 41 Cb 0.50 -1.55 -0.07 0.00 0.00 0.00 0.00 19.45 18.34 2gej n ALA 41 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2gej n SER 42 N 1.38 2.94 0.26 0.00 7.64 -1.26 -4.68 113.62 119.90 2gej n SER 42 Ca 0.18 -3.31 0.17 0.00 1.01 0.00 0.00 58.87 56.92 2gej n SER 42 Cb 0.09 -0.64 0.80 0.00 -1.01 0.00 0.00 64.21 63.45 2gej n SER 42 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2gej h PRO 43 N 3.79 0.00 -0.02 1.43 0.11 -1.98 -3.24 132.00 132.09 2gej h PRO 43 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2gej h PRO 43 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 2gej h PRO 43 CO 0.73 0.00 -0.14 0.72 -0.21 0.00 0.00 178.00 179.10 2gej n HIS 44 N -3.15 0.00 -4.22 0.65 8.25 -1.26 -4.99 115.22 110.50 2gej n HIS 44 Ca 0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.27 2gej n HIS 44 Cb 0.45 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.44 2gej n HIS 44 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2gej s VAL 45 N -1.77 1.33 -0.59 1.59 1.01 -1.23 -5.09 120.40 115.66 2gej s VAL 45 Ca 0.20 -1.43 -0.28 0.00 0.00 0.00 0.00 61.98 60.46 2gej s VAL 45 Cb 0.16 -1.28 0.03 0.00 0.00 0.00 0.00 36.38 35.28 2gej s VAL 45 CO 0.32 -0.20 1.19 -1.59 0.00 0.00 0.00 175.10 174.83 2gej s LYS 46 N -1.91 3.49 0.04 2.72 0.00 -1.26 -5.00 119.74 117.82 2gej s LYS 46 Ca 0.02 0.21 0.01 0.00 0.00 0.00 0.00 55.97 56.21 2gej s LYS 46 Cb -0.09 -4.02 -0.04 0.00 0.00 0.00 0.00 37.83 33.67 2gej s LYS 46 CO 0.03 -1.71 0.10 -0.51 0.00 0.00 0.00 175.35 173.27 2gej s LEU 47 N 4.99 3.94 0.96 2.77 1.43 -1.26 -5.10 118.68 126.40 2gej s LEU 47 Ca 0.42 0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.51 2gej s LEU 47 Cb -0.08 -2.48 0.17 0.00 0.03 0.00 0.00 46.19 43.83 2gej s LEU 47 CO 0.25 0.21 1.09 -2.84 0.23 0.00 0.00 176.35 175.29 2gej s PRO 48 N -2.15 0.74 0.26 1.29 0.02 -1.26 -4.89 135.00 129.01 2gej s PRO 48 Ca 0.28 0.95 0.25 0.00 0.02 0.00 0.00 61.00 62.50 2gej s PRO 48 Cb -0.12 -1.74 0.95 0.00 0.02 0.00 0.00 34.50 33.61 2gej s PRO 48 CO 0.20 -2.63 1.74 -0.40 -0.33 0.00 0.00 177.00 175.57 2gej n ASP 49 N -4.17 0.75 -0.25 2.53 5.68 -1.26 -2.08 116.55 117.74 2gej n ASP 49 Ca 0.07 0.65 0.13 0.00 -0.50 0.00 0.00 54.79 55.14 2gej n ASP 49 Cb 0.54 -0.82 0.64 0.00 -1.14 0.00 0.00 41.12 40.35 2gej n ASP 49 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gej n TYR 50 N -2.29 0.04 -2.89 2.11 0.18 -1.26 -4.72 117.16 108.32 2gej n TYR 50 Ca 0.03 -0.02 -0.41 0.00 1.88 0.00 0.00 57.90 59.39 2gej n TYR 50 Cb 0.29 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.20 2gej n TYR 50 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 2gej s VAL 51 N -1.96 4.80 -0.07 -3.48 1.01 -0.88 -0.92 120.40 118.89 2gej s VAL 51 Ca 0.39 1.75 0.04 0.00 0.00 0.00 0.00 61.98 64.16 2gej s VAL 51 Cb 0.19 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2gej s VAL 51 CO 0.31 0.28 -0.20 -0.69 0.00 0.00 0.00 175.10 174.81 2gej s VAL 52 N 0.40 1.68 0.10 2.92 1.01 0.84 -4.94 120.40 122.41 2gej s VAL 52 Ca 0.43 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 2gej s VAL 52 Cb -0.20 -1.46 -0.06 0.00 0.00 0.00 0.00 36.38 34.66 2gej s VAL 52 CO 0.24 0.48 0.96 -0.55 0.00 0.00 0.00 175.10 176.22 2gej s SER 53 N 0.29 7.48 -0.01 3.32 0.15 -1.26 -2.50 113.70 121.17 2gej s SER 53 Ca -0.12 1.77 0.11 0.00 0.70 0.00 0.00 55.95 58.41 2gej s SER 53 Cb -0.15 -2.58 0.33 0.00 -1.71 0.00 0.00 66.02 61.90 2gej s SER 53 CO 0.05 -0.08 1.26 0.61 1.20 0.00 0.00 173.24 176.28 2gej n GLY 54 N 2.31 0.79 0.00 9.45 0.00 0.10 -4.90 105.19 112.95 2gej n GLY 54 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2gej n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gej n GLY 55 N 1.03 -0.91 3.67 -0.02 0.00 -1.26 -4.41 105.19 103.28 2gej n GLY 55 Ca 0.12 -1.66 -0.34 0.00 0.00 0.00 0.00 46.02 44.14 2gej n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gej s LYS 56 N -1.83 2.90 0.42 1.61 -0.14 -1.26 -1.37 119.74 120.07 2gej s LYS 56 Ca 0.00 -0.48 -0.26 0.00 -1.36 0.00 0.00 55.97 53.87 2gej s LYS 56 Cb 0.00 -2.73 -0.10 0.00 -1.68 0.00 0.00 37.83 33.32 2gej s LYS 56 CO 0.00 0.68 1.40 0.00 -0.76 0.00 0.00 175.35 176.67 2gej n ALA 57 N 1.99 1.88 -0.98 5.17 0.00 -1.26 -4.66 120.51 122.65 2gej n ALA 57 Ca -0.18 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2gej n ALA 57 Cb 0.53 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.62 2gej n ALA 57 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2gej n VAL 58 N -0.01 0.00 -3.21 0.00 0.24 -1.26 -5.04 118.33 109.05 2gej n VAL 58 Ca 0.04 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.96 2gej n VAL 58 Cb 0.40 0.88 -0.06 0.00 -1.47 0.00 0.00 33.84 33.59 2gej n VAL 58 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2gej s PHE 71 N 0.00 3.73 0.89 6.34 0.40 -1.26 -5.26 117.98 122.81 2gej s PHE 71 Ca 0.00 1.24 -0.12 0.00 -0.60 0.00 0.00 56.93 57.45 2gej s PHE 71 Cb 0.00 -2.58 0.12 0.00 0.51 0.00 0.00 43.02 41.07 2gej s PHE 71 CO 0.00 0.43 1.14 0.20 0.70 0.00 0.00 175.22 177.69 2gej s GLY 72 N -0.49 1.58 0.31 4.36 0.00 -1.26 -4.86 107.32 106.96 2gej s GLY 72 Ca 0.31 -0.54 0.04 0.00 0.00 0.00 0.00 44.72 44.53 2gej s GLY 72 CO 0.18 0.00 1.58 -2.55 0.00 0.00 0.00 173.10 172.32 2gej h PRO 73 N -1.40 0.03 -0.60 2.90 0.11 -2.00 -0.64 132.00 130.40 2gej h PRO 73 Ca -0.50 -0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.72 2gej h PRO 73 Cb 1.33 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.40 2gej h PRO 73 CO 0.63 0.02 0.40 0.00 -0.21 0.00 0.00 178.00 178.84 2gej h ALA 74 N 1.96 2.06 -0.14 -0.75 0.00 -1.97 -1.16 119.26 119.26 2gej h ALA 74 Ca 0.62 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.43 2gej h ALA 74 Cb 1.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2gej h ALA 74 CO -0.86 -0.20 -0.28 1.15 0.00 0.00 0.00 179.25 179.05 2gej h THR 75 N 0.37 1.36 -0.95 0.00 2.02 -1.32 0.12 112.91 114.52 2gej h THR 75 Ca 0.28 -1.54 0.03 0.00 0.77 0.00 0.00 66.41 65.95 2gej h THR 75 Cb 0.60 2.01 -0.05 0.00 -1.74 0.00 0.00 68.15 68.97 2gej h THR 75 CO -0.07 0.46 0.62 0.45 0.37 0.00 0.00 175.52 177.34 2gej h HIS 76 N 0.04 1.16 -0.12 3.16 3.86 -1.36 0.71 115.15 122.61 2gej h HIS 76 Ca 0.01 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.25 2gej h HIS 76 Cb 0.87 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 2gej h HIS 76 CO 0.10 0.68 0.04 0.00 0.86 0.00 0.00 177.93 179.61 2gej h ARG 77 N 1.21 0.10 -0.44 2.45 3.08 -1.05 -2.81 114.38 116.92 2gej h ARG 77 Ca 0.38 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.35 2gej h ARG 77 Cb -0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2gej h ARG 77 CO -0.12 0.07 0.00 -0.22 -1.07 0.00 0.00 179.97 178.63 2gej h LYS 78 N 0.10 0.77 -0.46 0.04 1.63 0.38 0.14 116.57 119.17 2gej h LYS 78 Ca 0.05 -0.24 0.08 0.00 -0.85 0.00 0.00 60.65 59.68 2gej h LYS 78 Cb 0.02 -0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 31.52 2gej h LYS 78 CO -0.05 0.84 0.08 0.28 -3.45 0.00 0.00 179.45 177.16 2gej h VAL 79 N 0.62 0.74 -0.33 2.00 2.07 -0.97 -0.60 116.25 119.78 2gej h VAL 79 Ca 0.12 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.51 2gej h VAL 79 Cb 0.49 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2gej h VAL 79 CO 0.02 0.04 -0.04 0.11 0.02 0.00 0.00 177.57 177.72 2gej h LYS 80 N 0.22 0.60 -0.89 1.57 1.57 -0.95 -1.94 116.57 116.74 2gej h LYS 80 Ca 0.23 -0.21 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2gej h LYS 80 Cb 0.30 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 2gej h LYS 80 CO -0.30 0.75 0.58 -0.22 -0.57 0.00 0.00 179.45 179.69 2gej h LYS 81 N 0.39 1.08 -0.31 3.15 3.64 -0.61 -1.50 116.57 122.41 2gej h LYS 81 Ca 0.09 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2gej h LYS 81 Cb 0.51 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2gej h LYS 81 CO 0.02 0.71 0.03 2.35 -2.27 0.00 0.00 179.45 180.29 2gej h TRP 82 N 1.11 0.57 0.32 1.91 7.01 -0.97 -2.00 115.95 123.89 2gej h TRP 82 Ca 0.36 -0.09 -0.02 0.00 2.11 0.00 0.00 58.89 61.26 2gej h TRP 82 Cb 0.03 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 26.94 2gej h TRP 82 CO -0.02 0.63 -0.15 0.82 -2.79 0.00 0.00 178.44 176.93 2gej h ILE 83 N 0.33 0.70 0.00 2.65 2.04 -1.19 -0.05 117.51 122.00 2gej h ILE 83 Ca 0.09 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 2gej h ILE 83 Cb 0.39 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2gej h ILE 83 CO 0.01 0.08 -0.07 0.00 0.00 0.00 0.00 178.15 178.17 2gej h ALA 84 N -0.08 1.76 0.00 1.87 0.00 -1.30 -2.32 119.26 119.19 2gej h ALA 84 Ca -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2gej h ALA 84 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2gej h ALA 84 CO 0.07 0.09 -1.03 0.39 0.00 0.00 0.00 179.25 178.77 2gej n GLU 85 N -4.28 0.88 0.15 0.00 1.02 -0.76 -4.59 120.64 113.07 2gej n GLU 85 Ca -0.03 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2gej n GLU 85 Cb 0.15 -1.38 0.21 0.00 -0.02 0.00 0.00 31.44 30.41 2gej n GLU 85 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2gej h GLY 86 N 4.18 0.00 -4.78 0.62 0.00 -0.40 -3.47 103.07 99.22 2gej h GLY 86 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 2gej h GLY 86 CO 0.00 0.00 -0.58 1.22 0.00 0.00 0.00 176.54 177.18 2gej n ASP 87 N -3.79 -5.86 -4.74 0.19 8.00 -1.25 -4.93 116.55 104.16 2gej n ASP 87 Ca -0.01 -0.38 -0.40 0.00 0.71 0.00 0.00 54.79 54.70 2gej n ASP 87 Cb 0.58 -4.57 -0.05 0.00 -0.02 0.00 0.00 41.12 37.06 2gej n ASP 87 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2gej s PHE 88 N -3.21 3.90 0.18 1.24 2.99 -1.26 -4.84 117.98 116.98 2gej s PHE 88 Ca 0.41 1.82 0.08 0.00 0.00 0.00 0.00 56.93 59.25 2gej s PHE 88 Cb -0.18 -2.98 0.03 0.00 0.00 0.00 0.00 43.02 39.88 2gej s PHE 88 CO 0.51 0.35 1.42 -0.44 -0.00 0.00 0.00 175.22 177.06 2gej h ASP 89 N 4.82 0.01 -3.87 1.36 3.32 -1.07 -0.79 116.42 120.20 2gej h ASP 89 Ca -0.44 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.43 2gej h ASP 89 Cb 1.21 -0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.50 2gej h ASP 89 CO 0.70 0.84 -0.45 -0.69 -1.72 0.00 0.00 179.24 177.92 2gej s VAL 90 N -3.09 0.00 -0.20 -1.35 1.01 -1.15 -4.65 120.40 110.98 2gej s VAL 90 Ca -0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 2gej s VAL 90 Cb 0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 2gej s VAL 90 CO 0.80 -0.01 -0.05 -0.22 0.00 0.00 0.00 175.10 175.61 2gej s LEU 91 N 0.06 2.94 -0.32 3.92 2.96 -0.45 -1.16 118.68 126.63 2gej s LEU 91 Ca -0.01 -0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 2gej s LEU 91 Cb -0.02 -1.73 0.06 0.00 0.50 0.00 0.00 46.19 45.01 2gej s LEU 91 CO 0.00 0.04 0.03 -2.28 -1.32 0.00 0.00 176.35 172.82 2gej s HIS 92 N 1.13 3.36 -0.06 5.38 5.65 0.63 0.01 115.29 131.38 2gej s HIS 92 Ca 0.02 -2.09 -0.05 0.00 0.25 0.00 0.00 55.06 53.20 2gej s HIS 92 Cb -0.15 -2.35 -0.04 0.00 -1.18 0.00 0.00 32.58 28.86 2gej s HIS 92 CO -0.01 -0.85 0.15 0.42 -0.65 0.00 0.00 174.74 173.81 2gej s ILE 93 N 1.20 5.39 -0.07 0.89 1.01 0.12 -0.52 121.20 129.21 2gej s ILE 93 Ca -0.02 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.66 2gej s ILE 93 Cb -0.20 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 2gej s ILE 93 CO -0.02 0.47 -0.17 -1.00 0.00 0.00 0.00 174.94 174.22 2gej s HIS 94 N -1.17 2.65 -0.99 3.97 3.76 -0.89 -0.57 115.29 122.05 2gej s HIS 94 Ca 0.21 -0.46 -0.11 0.00 -0.15 0.00 0.00 55.06 54.55 2gej s HIS 94 Cb -0.12 -1.68 -0.01 0.00 1.11 0.00 0.00 32.58 31.88 2gej s HIS 94 CO 0.11 -0.04 0.76 0.39 -0.85 0.00 0.00 174.74 175.10 2gej n GLU 95 N 2.84 -1.39 -1.83 1.40 -0.58 0.76 -4.45 120.64 117.40 2gej n GLU 95 Ca -0.17 0.78 -0.42 0.00 -0.42 0.00 0.00 57.16 56.92 2gej n GLU 95 Cb 0.52 -4.33 -0.01 0.00 -0.57 0.00 0.00 31.44 27.05 2gej n GLU 95 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2gej n PRO 96 N -3.30 2.68 -2.22 3.49 -0.04 -1.26 -4.79 135.00 129.55 2gej n PRO 96 Ca -0.11 -2.62 -0.26 0.00 -0.04 0.00 0.00 63.50 60.47 2gej n PRO 96 Cb 0.59 -3.30 0.08 0.00 -0.04 0.00 0.00 33.50 30.83 2gej n PRO 96 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2gej s ASN 97 N 3.78 4.67 -0.10 3.54 0.02 -1.26 -4.72 114.94 120.87 2gej s ASN 97 Ca 0.51 0.37 0.03 0.00 -1.02 0.00 0.00 52.86 52.75 2gej s ASN 97 Cb 0.12 -0.97 0.01 0.00 0.02 0.00 0.00 41.25 40.43 2gej s ASN 97 CO -0.02 -1.69 -0.20 0.00 0.02 0.00 0.00 177.10 175.21 2gej s ALA 98 N -3.27 1.96 0.73 0.60 0.00 -1.26 -3.60 121.76 116.91 2gej s ALA 98 Ca 0.61 -0.86 -0.10 0.00 0.00 0.00 0.00 51.96 51.61 2gej s ALA 98 Cb -0.10 -0.81 0.05 0.00 0.00 0.00 0.00 23.12 22.26 2gej s ALA 98 CO 0.45 0.14 1.09 -1.25 0.00 0.00 0.00 175.76 176.20 2gej s PRO 99 N 0.58 2.42 0.00 0.00 0.04 -1.26 -5.18 135.00 131.61 2gej s PRO 99 Ca -0.14 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.06 2gej s PRO 99 Cb -0.17 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2gej s PRO 99 CO 0.04 -1.24 0.00 -1.13 0.04 0.00 0.00 177.00 174.71 2gej n SER 100 N -3.06 0.00 -0.24 6.66 3.41 -1.24 -4.94 113.62 114.22 2gej n SER 100 Ca 0.07 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.79 2gej n SER 100 Cb 0.59 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.92 2gej n SER 100 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2gej h LEU 101 N 0.00 0.65 -0.22 1.04 6.46 -1.90 -1.03 115.31 120.31 2gej h LEU 101 Ca 0.00 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 2gej h LEU 101 Cb 0.00 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.82 2gej h LEU 101 CO 0.00 0.36 0.04 0.28 -0.62 0.00 0.00 178.44 178.50 2gej h SER 102 N 0.70 0.34 0.27 1.25 0.02 -1.86 -0.07 113.55 114.20 2gej h SER 102 Ca 0.40 -0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 2gej h SER 102 Cb 0.58 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 2gej h SER 102 CO -0.17 0.50 -0.33 -0.03 -1.14 0.00 0.00 176.83 175.67 2gej h MET 103 N 0.17 0.09 0.01 3.45 1.85 -1.45 -0.91 114.93 118.15 2gej h MET 103 Ca 0.07 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.12 2gej h MET 103 Cb 0.30 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.32 2gej h MET 103 CO 0.00 0.41 -0.01 -0.07 -0.40 0.00 0.00 176.91 176.85 2gej h LEU 104 N 0.08 -0.01 -0.81 3.39 4.07 -0.89 0.08 115.31 121.22 2gej h LEU 104 Ca 0.01 -0.08 0.06 0.00 0.08 0.00 0.00 57.88 57.95 2gej h LEU 104 Cb 0.62 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.31 2gej h LEU 104 CO 0.05 0.07 0.50 0.00 -1.08 0.00 0.00 178.44 177.97 2gej h ALA 105 N 0.89 1.10 -0.25 1.53 0.00 -0.62 -1.53 119.26 120.39 2gej h ALA 105 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2gej h ALA 105 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2gej h ALA 105 CO 0.00 0.23 -0.18 1.25 0.00 0.00 0.00 179.25 180.55 2gej h LEU 106 N 0.91 0.43 -0.64 0.00 5.85 -0.88 -0.96 115.31 120.03 2gej h LEU 106 Ca 0.35 -0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.82 2gej h LEU 106 Cb 0.16 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2gej h LEU 106 CO -0.17 0.63 -0.63 1.56 -0.34 0.00 0.00 178.44 179.49 2gej h GLN 107 N 0.40 0.00 0.00 1.25 4.20 -0.50 -3.32 115.11 117.14 2gej h GLN 107 Ca 0.07 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 2gej h GLN 107 Cb 0.55 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 2gej h GLN 107 CO 0.04 0.63 -1.08 0.00 -0.67 0.00 0.00 178.83 177.74 2gej h ALA 108 N 1.37 0.61 -2.85 3.87 0.00 -0.26 -3.44 119.26 118.57 2gej h ALA 108 Ca -0.01 -0.42 -0.61 0.00 0.00 0.00 0.00 54.91 53.88 2gej h ALA 108 Cb 1.18 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2gej h ALA 108 CO 0.08 0.46 -0.45 0.00 0.00 0.00 0.00 179.25 179.35 2gej s ALA 109 N -3.12 3.95 0.05 0.00 0.00 -0.47 0.12 121.76 122.28 2gej s ALA 109 Ca -0.01 -0.77 0.09 0.00 0.00 0.00 0.00 51.96 51.27 2gej s ALA 109 Cb 0.09 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 2gej s ALA 109 CO 0.79 0.78 -0.24 -1.21 0.00 0.00 0.00 175.76 175.87 2gej s GLU 110 N -2.58 1.62 0.00 0.00 2.02 0.74 -4.66 118.70 115.85 2gej s GLU 110 Ca 0.37 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 54.30 2gej s GLU 110 Cb -0.13 -1.79 0.00 0.00 0.10 0.00 0.00 34.13 32.31 2gej s GLU 110 CO 0.27 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.42 2gej n GLY 111 N 1.76 0.03 3.55 -1.39 0.00 -1.26 -1.31 105.19 106.57 2gej n GLY 111 Ca -0.17 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 2gej n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gej s PRO 112 N -0.02 2.57 -0.06 1.61 0.04 -1.26 -4.77 135.00 133.11 2gej s PRO 112 Ca 0.00 0.31 0.04 0.00 0.04 0.00 0.00 61.00 61.39 2gej s PRO 112 Cb 0.00 -4.64 -0.00 0.00 0.04 0.00 0.00 34.50 29.90 2gej s PRO 112 CO 0.00 -3.01 -0.18 0.42 0.04 0.00 0.00 177.00 174.27 2gej s ILE 113 N 9.61 1.55 0.00 0.56 1.01 -1.26 -1.34 121.20 131.34 2gej s ILE 113 Ca 0.69 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 60.62 2gej s ILE 113 Cb -0.11 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 2gej s ILE 113 CO 0.13 0.44 -0.14 -0.69 0.00 0.00 0.00 174.94 174.68 2gej s VAL 114 N 0.14 1.13 0.01 2.92 1.01 0.10 -1.03 120.40 124.69 2gej s VAL 114 Ca -0.07 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.24 2gej s VAL 114 Cb -0.13 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 2gej s VAL 114 CO 0.03 0.25 -0.11 0.00 0.00 0.00 0.00 175.10 175.28 2gej s ALA 115 N -0.45 0.93 -0.18 5.51 0.00 -0.01 0.12 121.76 127.69 2gej s ALA 115 Ca 0.05 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 2gej s ALA 115 Cb -0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2gej s ALA 115 CO -0.00 0.20 -0.06 0.99 0.00 0.00 0.00 175.76 176.89 2gej s THR 116 N -0.48 3.49 -0.78 0.00 2.01 0.26 -0.18 115.64 119.96 2gej s THR 116 Ca 0.02 -0.48 -0.18 0.00 0.31 0.00 0.00 61.69 61.37 2gej s THR 116 Cb -0.05 -2.54 0.14 0.00 0.01 0.00 0.00 72.50 70.05 2gej s THR 116 CO 0.00 0.46 0.90 -0.36 -0.69 0.00 0.00 174.62 174.94 2gej s PHE 117 N 0.88 3.20 0.03 4.92 0.40 -0.01 -0.17 117.98 127.23 2gej s PHE 117 Ca -0.01 -1.34 -0.27 0.00 -0.60 0.00 0.00 56.93 54.71 2gej s PHE 117 Cb -0.15 -4.09 -0.17 0.00 0.51 0.00 0.00 43.02 39.12 2gej s PHE 117 CO 0.01 -1.32 1.40 0.45 0.70 0.00 0.00 175.22 176.45 2gej h HIS 118 N 8.75 -0.42 -2.50 0.36 3.86 -1.96 -3.32 115.15 119.93 2gej h HIS 118 Ca -0.03 -0.01 -0.46 0.00 -1.16 0.00 0.00 60.37 58.71 2gej h HIS 118 Cb 1.05 0.14 0.01 0.00 1.06 0.00 0.00 27.41 29.67 2gej h HIS 118 CO 1.02 -0.13 -0.21 0.95 0.86 0.00 0.00 177.93 180.42 2gej s THR 119 N -5.18 4.46 -0.06 2.45 -4.23 -1.26 -4.77 115.64 107.05 2gej s THR 119 Ca -0.15 -0.65 -0.29 0.00 -1.18 0.00 0.00 61.69 59.42 2gej s THR 119 Cb 0.03 -3.61 0.11 0.00 1.34 0.00 0.00 72.50 70.37 2gej s THR 119 CO 0.58 -0.36 0.90 -0.94 -0.54 0.00 0.00 174.62 174.27 2gej s SER 120 N -4.13 -0.40 -0.01 3.99 1.04 -1.26 -5.07 113.70 107.86 2gej s SER 120 Ca 0.44 0.22 -0.06 0.00 0.48 0.00 0.00 55.95 57.03 2gej s SER 120 Cb -0.10 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 2gej s SER 120 CO 0.35 -0.52 -0.12 0.41 0.98 0.00 0.00 173.24 174.34 2gej n THR 121 N 0.22 1.17 -4.01 2.02 -1.04 -1.26 -4.79 114.28 106.59 2gej n THR 121 Ca -0.10 0.24 -0.09 0.00 -2.04 0.00 0.00 64.05 62.05 2gej n THR 121 Cb 0.60 -1.80 -0.08 0.00 -1.82 0.00 0.00 70.33 67.23 2gej n THR 121 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2gej s THR 122 N -2.27 0.10 0.13 12.58 -4.23 -1.26 -5.05 115.64 115.63 2gej s THR 122 Ca -0.10 -1.55 -0.26 0.00 -1.18 0.00 0.00 61.69 58.61 2gej s THR 122 Cb 0.02 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 72.01 2gej s THR 122 CO 0.14 -0.44 1.63 0.07 -0.54 0.00 0.00 174.62 175.48 2gej h LYS 123 N 2.71 -0.38 -0.51 3.99 -0.00 -1.98 -2.54 116.57 117.87 2gej h LYS 123 Ca -0.33 0.03 0.05 0.00 -0.00 0.00 0.00 60.65 60.40 2gej h LYS 123 Cb 1.21 0.09 -0.08 0.00 -0.00 0.00 0.00 32.23 33.45 2gej h LYS 123 CO 0.54 -0.25 -0.50 0.77 -0.00 0.00 0.00 179.45 180.01 2gej h SER 124 N -0.40 -1.71 0.11 7.07 0.02 -2.00 0.27 113.55 116.92 2gej h SER 124 Ca 0.08 0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 2gej h SER 124 Cb 0.51 0.72 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 2gej h SER 124 CO -0.27 -0.31 -0.07 -0.07 -1.14 0.00 0.00 176.83 174.97 2gej h LEU 125 N -0.25 0.00 0.03 5.07 4.07 -1.98 -2.30 115.31 119.95 2gej h LEU 125 Ca 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 2gej h LEU 125 Cb 0.47 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.21 2gej h LEU 125 CO -0.61 0.07 -0.01 0.74 -1.08 0.00 0.00 178.44 177.55 2gej h THR 126 N 0.00 1.42 -0.20 0.22 2.02 -0.82 -2.57 112.91 112.98 2gej h THR 126 Ca -0.00 -1.63 0.06 0.00 0.77 0.00 0.00 66.41 65.60 2gej h THR 126 Cb 0.15 2.47 -0.07 0.00 -1.74 0.00 0.00 68.15 68.96 2gej h THR 126 CO 0.01 0.40 -0.25 -0.07 0.37 0.00 0.00 175.52 175.98 2gej h LEU 127 N -0.78 -0.78 -0.07 2.58 3.38 -0.95 -1.69 115.31 116.99 2gej h LEU 127 Ca -0.00 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2gej h LEU 127 Cb 0.69 0.36 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 2gej h LEU 127 CO 0.01 -0.29 -0.01 0.77 0.09 0.00 0.00 178.44 179.00 2gej h SER 128 N -0.28 0.14 -0.52 -0.43 4.64 -1.53 0.72 113.55 116.30 2gej h SER 128 Ca 0.12 -0.36 0.02 0.00 -0.47 0.00 0.00 61.79 61.10 2gej h SER 128 Cb 0.47 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 2gej h SER 128 CO -0.36 0.47 0.32 0.58 -0.87 0.00 0.00 176.83 176.96 2gej h VAL 129 N -0.19 1.07 -0.13 0.95 2.07 -1.55 0.20 116.25 118.68 2gej h VAL 129 Ca 0.02 -0.22 -0.23 0.00 0.82 0.00 0.00 66.70 67.09 2gej h VAL 129 Cb 0.40 0.38 0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2gej h VAL 129 CO 0.01 0.12 -0.83 -0.26 0.02 0.00 0.00 177.57 176.63 2gej h PHE 130 N 0.63 1.07 0.00 1.57 -1.00 -1.17 -3.20 116.94 114.84 2gej h PHE 130 Ca 0.20 -0.49 0.00 0.00 2.81 0.00 0.00 57.97 60.49 2gej h PHE 130 Cb 0.00 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.40 2gej h PHE 130 CO -0.06 1.33 0.00 1.04 -1.61 0.00 0.00 178.31 179.01 2gej n GLN 131 N -3.92 0.26 0.00 1.51 6.02 0.25 -4.06 117.38 117.44 2gej n GLN 131 Ca -0.08 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2gej n GLN 131 Cb 0.77 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.53 2gej n GLN 131 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2gej n GLY 132 N 1.17 -1.67 0.00 1.08 0.00 0.70 -4.77 105.19 101.69 2gej n GLY 132 Ca 0.11 -1.37 0.10 0.00 0.00 0.00 0.00 46.02 44.86 2gej n GLY 132 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2gej n ILE 133 N -0.32 0.53 1.14 -0.61 -5.35 -1.26 -2.65 119.36 110.84 2gej n ILE 133 Ca 0.00 0.13 0.11 0.00 -0.27 0.00 0.00 62.75 62.72 2gej n ILE 133 Cb 0.00 -0.79 0.36 0.00 -1.74 0.00 0.00 39.64 37.48 2gej n ILE 133 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2gej n LEU 134 N -1.44 1.87 -0.04 7.28 4.77 -1.26 -4.46 117.00 123.73 2gej n LEU 134 Ca 0.06 -0.77 -0.08 0.00 -0.03 0.00 0.00 56.01 55.19 2gej n LEU 134 Cb 0.22 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 2gej n LEU 134 CO 0.18 0.39 0.72 -0.09 -1.33 0.00 0.00 177.39 177.26 2gej h ARG 135 N 2.51 -0.20 -0.94 3.23 2.43 -1.65 -0.38 114.38 119.38 2gej h ARG 135 Ca 0.00 0.01 0.22 0.00 -0.81 0.00 0.00 59.98 59.41 2gej h ARG 135 Cb 0.55 0.05 -0.18 0.00 -0.42 0.00 0.00 29.97 29.97 2gej h ARG 135 CO 0.00 -0.14 -0.11 -2.30 -1.51 0.00 0.00 179.97 175.91 2gej n PRO 136 N -5.35 -0.08 -0.10 0.20 -0.02 -1.26 0.07 135.00 128.46 2gej n PRO 136 Ca -0.01 1.44 -0.14 0.00 -2.02 0.00 0.00 63.50 62.77 2gej n PRO 136 Cb 0.26 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 2gej n PRO 136 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 2gej h TYR 137 N 0.00 1.10 -0.39 6.00 -1.99 -1.44 -3.09 116.97 117.15 2gej h TYR 137 Ca 0.51 -0.36 -0.13 0.00 2.00 0.00 0.00 58.73 60.75 2gej h TYR 137 Cb 0.93 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.43 2gej h TYR 137 CO -0.60 1.19 -0.29 0.45 -0.00 0.00 0.00 178.16 178.90 2gej h HIS 138 N 0.70 0.98 -0.16 4.88 3.86 0.14 -2.71 115.15 122.84 2gej h HIS 138 Ca 0.04 -0.26 0.05 0.00 -1.16 0.00 0.00 60.37 59.04 2gej h HIS 138 Cb 1.05 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 2gej h HIS 138 CO 0.07 1.03 0.17 0.93 0.86 0.00 0.00 177.93 181.00 2gej h GLU 139 N 0.72 0.00 0.00 2.45 5.08 -0.35 -0.47 114.58 122.01 2gej h GLU 139 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2gej h GLU 139 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2gej h GLU 139 CO 0.07 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.71 2gej n LYS 140 N -3.85 0.16 -2.43 2.33 5.02 -1.02 -4.69 118.16 113.68 2gej n LYS 140 Ca 0.01 0.42 -0.43 0.00 -2.02 0.00 0.00 58.31 56.29 2gej n LYS 140 Cb 0.29 -1.82 -0.02 0.00 -0.02 0.00 0.00 35.03 33.46 2gej n LYS 140 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2gej s ILE 141 N -3.29 4.13 -0.01 -0.18 1.01 -0.19 -4.58 121.20 118.09 2gej s ILE 141 Ca 0.04 1.26 0.02 0.00 0.00 0.00 0.00 60.65 61.97 2gej s ILE 141 Cb 0.09 -4.20 -0.25 0.00 0.01 0.00 0.00 42.46 38.11 2gej s ILE 141 CO 0.35 -0.53 0.79 0.40 0.00 0.00 0.00 174.94 175.94 2gej h ILE 142 N 6.02 1.06 -3.16 2.92 1.08 -1.36 -3.44 117.51 120.64 2gej h ILE 142 Ca -0.26 -2.78 -0.58 0.00 -0.39 0.00 0.00 64.86 60.85 2gej h ILE 142 Cb 1.09 2.64 -0.36 0.00 -3.07 0.00 0.00 36.82 37.13 2gej h ILE 142 CO 1.04 0.75 -0.83 -0.83 -0.69 0.00 0.00 178.15 177.60 2gej s GLY 143 N -5.05 1.05 -0.20 5.37 0.00 -0.69 -5.00 107.32 102.80 2gej s GLY 143 Ca -0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 2gej s GLY 143 CO 0.83 0.53 -0.06 0.50 0.00 0.00 0.00 173.10 174.90 2gej s ARG 144 N 1.44 3.40 -0.12 2.90 0.52 -1.26 -0.83 118.95 125.01 2gej s ARG 144 Ca 0.03 -0.63 0.01 0.00 -0.52 0.00 0.00 55.73 54.62 2gej s ARG 144 Cb -0.13 -2.92 -0.01 0.00 0.52 0.00 0.00 34.95 32.40 2gej s ARG 144 CO -0.09 -0.08 -0.15 0.42 0.02 0.00 0.00 175.30 175.43 2gej s ILE 145 N 1.16 2.90 0.10 1.52 1.01 0.75 -1.64 121.20 127.01 2gej s ILE 145 Ca 0.02 -0.72 0.09 0.00 0.00 0.00 0.00 60.65 60.04 2gej s ILE 145 Cb -0.14 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 2gej s ILE 145 CO -0.01 0.53 -0.22 0.00 0.00 0.00 0.00 174.94 175.24 2gej s ALA 146 N 0.29 2.50 -2.29 9.38 0.00 0.12 -0.83 121.76 130.93 2gej s ALA 146 Ca -0.11 -1.36 0.21 0.00 0.00 0.00 0.00 51.96 50.71 2gej s ALA 146 Cb -0.16 -0.54 0.77 0.00 0.00 0.00 0.00 23.12 23.18 2gej s ALA 146 CO 0.06 0.56 1.56 1.33 0.00 0.00 0.00 175.76 179.27 2gej n VAL 147 N 1.09 0.20 -4.09 0.00 0.24 -1.25 -0.54 118.33 113.98 2gej n VAL 147 Ca -0.17 -0.34 -0.10 0.00 -2.04 0.00 0.00 64.34 61.69 2gej n VAL 147 Cb 0.53 0.38 -0.09 0.00 -1.47 0.00 0.00 33.84 33.19 2gej n VAL 147 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2gej s SER 148 N -1.59 0.20 0.48 -1.34 1.04 -1.26 -4.64 113.70 106.58 2gej s SER 148 Ca 0.33 -1.11 0.25 0.00 0.48 0.00 0.00 55.95 55.90 2gej s SER 148 Cb 0.18 0.36 1.19 0.00 0.10 0.00 0.00 66.02 67.85 2gej s SER 148 CO 0.27 -0.80 1.96 -0.78 0.98 0.00 0.00 173.24 174.86 2gej h ASP 149 N 2.72 0.00 0.00 7.02 3.58 -1.97 -2.75 116.42 125.03 2gej h ASP 149 Ca -0.34 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.10 2gej h ASP 149 Cb 1.21 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.26 2gej h ASP 149 CO 0.54 0.18 -0.05 0.25 -2.88 0.00 0.00 179.24 177.29 2gej h LEU 150 N 0.00 0.00 -0.78 2.28 5.85 -1.99 -1.61 115.31 119.06 2gej h LEU 150 Ca -0.00 -0.66 0.16 0.00 0.84 0.00 0.00 57.88 58.21 2gej h LEU 150 Cb 0.52 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.40 2gej h LEU 150 CO 0.02 0.86 -0.21 0.00 -0.34 0.00 0.00 178.44 178.77 2gej h ALA 151 N -0.34 0.49 -0.23 1.25 0.00 -1.97 0.10 119.26 118.56 2gej h ALA 151 Ca -0.01 0.30 0.06 0.00 0.00 0.00 0.00 54.91 55.26 2gej h ALA 151 Cb 0.69 0.62 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 2gej h ALA 151 CO -0.01 -0.42 -0.21 -0.09 0.00 0.00 0.00 179.25 178.52 2gej h ARG 152 N -0.01 -0.21 -0.07 0.00 2.43 -1.50 0.22 114.38 115.23 2gej h ARG 152 Ca 0.37 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.58 2gej h ARG 152 Cb 0.58 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2gej h ARG 152 CO -0.81 -0.14 0.06 0.00 -1.51 0.00 0.00 179.97 177.57 2gej h ARG 153 N -0.22 0.00 -0.29 0.20 3.08 -0.10 -1.85 114.38 115.19 2gej h ARG 153 Ca 0.13 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 2gej h ARG 153 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2gej h ARG 153 CO -0.36 0.00 0.01 -1.49 -1.07 0.00 0.00 179.97 177.06 2gej h TRP 154 N 0.00 0.56 -0.12 3.04 6.55 0.18 -1.64 115.95 124.53 2gej h TRP 154 Ca 0.04 -0.10 -0.12 0.00 0.95 0.00 0.00 58.89 59.66 2gej h TRP 154 Cb 0.16 -0.15 -0.01 0.00 -0.86 0.00 0.00 29.16 28.30 2gej h TRP 154 CO 0.00 0.65 -0.45 1.96 -1.05 0.00 0.00 178.44 179.55 2gej h GLN 155 N 0.31 0.28 -0.44 0.49 4.20 -0.98 -0.72 115.11 118.25 2gej h GLN 155 Ca 0.08 -0.14 -0.12 0.00 0.06 0.00 0.00 58.65 58.53 2gej h GLN 155 Cb 0.42 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2gej h GLN 155 CO 0.01 0.67 -0.20 0.52 -0.67 0.00 0.00 178.83 179.17 2gej h MET 156 N 0.23 0.87 -0.09 1.46 2.86 -1.29 -2.04 114.93 116.92 2gej h MET 156 Ca 0.02 -0.35 -0.14 0.00 -2.06 0.00 0.00 59.70 57.17 2gej h MET 156 Cb 0.88 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 2gej h MET 156 CO 0.07 0.99 -0.55 1.49 1.06 0.00 0.00 176.91 179.97 2gej h GLU 157 N 0.76 0.26 0.29 1.72 4.81 -1.15 -1.53 114.58 119.74 2gej h GLU 157 Ca 0.11 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2gej h GLU 157 Cb 0.74 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.14 2gej h GLU 157 CO 0.06 0.74 -0.14 0.00 -0.73 0.00 0.00 179.01 178.94 2gej h ALA 158 N 1.22 -0.39 -0.02 2.92 0.00 -1.04 -3.37 119.26 118.59 2gej h ALA 158 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2gej h ALA 158 Cb 1.03 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2gej h ALA 158 CO 0.09 -0.58 -0.07 1.28 0.00 0.00 0.00 179.25 179.97 2gej n LEU 159 N -5.14 2.01 -1.68 0.00 4.77 -0.78 -4.73 117.00 111.45 2gej n LEU 159 Ca -0.10 -0.94 -0.17 0.00 -0.03 0.00 0.00 56.01 54.78 2gej n LEU 159 Cb 0.25 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 2gej n LEU 159 CO 0.32 0.37 -0.19 0.61 -1.33 0.00 0.00 177.39 177.16 2gej n GLY 160 N 0.87 0.50 3.02 -0.72 0.00 -0.58 -5.00 105.19 103.29 2gej n GLY 160 Ca 0.08 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 2gej n GLY 160 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gej s SER 161 N -2.47 -0.18 0.02 1.61 1.04 -1.25 -5.07 113.70 107.40 2gej s SER 161 Ca 0.00 0.37 -0.13 0.00 0.48 0.00 0.00 55.95 56.67 2gej s SER 161 Cb 0.00 0.32 -0.07 0.00 0.10 0.00 0.00 66.02 66.38 2gej s SER 161 CO 0.00 -0.10 0.32 0.47 0.98 0.00 0.00 173.24 174.91 2gej n ASP 162 N 3.47 -0.14 -4.36 7.02 9.92 -1.26 -4.42 116.55 126.78 2gej n ASP 162 Ca -0.18 0.41 -0.19 0.00 -0.53 0.00 0.00 54.79 54.31 2gej n ASP 162 Cb 0.56 -0.33 -0.10 0.00 -0.64 0.00 0.00 41.12 40.61 2gej n ASP 162 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2gej s ALA 163 N -0.11 2.00 0.09 2.24 0.00 -1.26 -4.63 121.76 120.08 2gej s ALA 163 Ca 0.30 -1.82 0.08 0.00 0.00 0.00 0.00 51.96 50.52 2gej s ALA 163 Cb -0.42 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 2gej s ALA 163 CO 0.20 -0.19 -0.22 0.54 0.00 0.00 0.00 175.76 176.09 2gej s VAL 164 N -3.28 1.76 -0.29 0.00 0.11 -0.65 -5.01 120.40 113.04 2gej s VAL 164 Ca 0.29 -1.45 -0.16 0.00 -2.93 0.00 0.00 61.98 57.73 2gej s VAL 164 Cb 0.05 -1.57 -0.03 0.00 -1.53 0.00 0.00 36.38 33.30 2gej s VAL 164 CO 0.10 0.05 0.41 -0.70 -3.33 0.00 0.00 175.10 171.62 2gej s GLU 165 N -1.68 3.93 -0.12 1.54 2.12 -1.26 0.14 118.70 123.37 2gej s GLU 165 Ca 0.08 0.01 -0.01 0.00 0.36 0.00 0.00 54.97 55.41 2gej s GLU 165 Cb -0.10 -3.69 0.03 0.00 0.26 0.00 0.00 34.13 30.64 2gej s GLU 165 CO 0.04 -0.36 -0.03 0.42 -0.54 0.00 0.00 175.26 174.79 2gej s ILE 166 N 2.14 0.73 0.41 -3.70 1.01 0.29 -4.94 121.20 117.15 2gej s ILE 166 Ca 0.16 -0.23 -0.25 0.00 0.00 0.00 0.00 60.65 60.33 2gej s ILE 166 Cb -0.16 -0.89 -0.08 0.00 0.01 0.00 0.00 42.46 41.34 2gej s ILE 166 CO 0.10 0.21 1.26 -2.16 0.00 0.00 0.00 174.94 174.35 2gej s PRO 167 N 1.82 3.95 0.58 2.79 0.04 -1.26 -4.28 135.00 138.64 2gej s PRO 167 Ca 0.03 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 62.92 2gej s PRO 167 Cb -0.13 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.68 2gej s PRO 167 CO -0.07 -0.47 1.26 -0.80 0.04 0.00 0.00 177.00 176.95 2gej s ASN 168 N -0.90 5.17 0.54 6.66 0.02 -1.26 -4.89 114.94 120.27 2gej s ASN 168 Ca 0.58 2.52 0.01 0.00 -1.02 0.00 0.00 52.86 54.95 2gej s ASN 168 Cb -0.35 -2.61 0.03 0.00 0.02 0.00 0.00 41.25 38.33 2gej s ASN 168 CO 0.45 -1.62 0.76 -0.83 0.02 0.00 0.00 177.10 175.88 2gej s GLY 169 N -1.39 1.80 0.20 0.66 0.00 -1.26 -4.88 107.32 102.46 2gej s GLY 169 Ca 0.76 -1.30 -0.01 0.00 0.00 0.00 0.00 44.72 44.17 2gej s GLY 169 CO 0.38 -1.03 0.12 -1.34 0.00 0.00 0.00 173.10 171.22 2gej s VAL 170 N -2.74 0.12 -0.68 1.40 -7.23 0.08 -4.88 120.40 106.47 2gej s VAL 170 Ca 0.56 -1.99 -0.20 0.00 -1.81 0.00 0.00 61.98 58.54 2gej s VAL 170 Cb -0.10 -2.48 0.10 0.00 0.56 0.00 0.00 36.38 34.46 2gej s VAL 170 CO 0.38 -0.05 0.88 -0.62 -0.31 0.00 0.00 175.10 175.38 2gej s ASP 171 N -3.18 6.27 0.54 4.85 -1.08 -1.26 -0.10 116.67 122.71 2gej s ASP 171 Ca 0.37 -1.41 0.30 0.00 -0.52 0.00 0.00 52.55 51.29 2gej s ASP 171 Cb 0.07 -2.36 1.53 0.00 -1.46 0.00 0.00 42.92 40.71 2gej s ASP 171 CO 0.11 -1.22 2.09 0.58 0.52 0.00 0.00 175.17 177.26 2gej h VAL 172 N 5.89 0.45 0.00 1.11 2.07 -1.94 -2.41 116.25 121.42 2gej h VAL 172 Ca -0.20 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 2gej h VAL 172 Cb 1.07 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2gej h VAL 172 CO 1.12 0.09 -0.80 0.00 0.02 0.00 0.00 177.57 178.01 2gej h ALA 173 N 1.91 0.66 0.00 1.67 0.00 -1.91 -2.44 119.26 119.15 2gej h ALA 173 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2gej h ALA 173 Cb 0.32 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2gej h ALA 173 CO 0.01 0.25 0.00 0.66 0.00 0.00 0.00 179.25 180.17 2gej h SER 174 N 0.00 0.00 0.00 0.00 4.64 -1.82 -1.61 113.55 114.75 2gej h SER 174 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2gej h SER 174 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2gej h SER 174 CO 0.02 0.00 -0.17 -0.26 -0.87 0.00 0.00 176.83 175.55 2gej h PHE 175 N 0.00 0.00 -0.64 4.77 -1.00 -1.59 -3.27 116.94 115.21 2gej h PHE 175 Ca 0.00 0.00 0.19 0.00 2.81 0.00 0.00 57.97 60.97 2gej h PHE 175 Cb 0.89 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 40.33 2gej h PHE 175 CO 0.00 0.00 0.05 0.00 -1.61 0.00 0.00 178.31 176.75 2gej n ALA 176 N -2.77 0.36 -0.47 2.45 0.00 -0.82 -0.43 120.51 118.83 2gej n ALA 176 Ca -0.02 0.68 0.08 0.00 0.00 0.00 0.00 53.44 54.18 2gej n ALA 176 Cb 0.09 -0.52 0.25 0.00 0.00 0.00 0.00 19.45 19.27 2gej n ALA 176 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2gej n ASP 177 N -4.79 3.70 -4.75 0.00 8.00 -0.61 -4.97 116.55 113.14 2gej n ASP 177 Ca 0.16 -2.30 -0.42 0.00 0.71 0.00 0.00 54.79 52.94 2gej n ASP 177 Cb 0.53 -0.41 -0.01 0.00 -0.02 0.00 0.00 41.12 41.21 2gej n ASP 177 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gej n ALA 178 N 0.63 2.24 -1.76 2.24 0.00 0.42 -4.99 120.51 119.30 2gej n ALA 178 Ca 0.19 0.36 -0.40 0.00 0.00 0.00 0.00 53.44 53.59 2gej n ALA 178 Cb 0.65 -2.41 -0.05 0.00 0.00 0.00 0.00 19.45 17.65 2gej n ALA 178 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2gej s PRO 179 N -1.34 4.66 0.56 0.00 0.04 -1.26 -4.93 135.00 132.74 2gej s PRO 179 Ca 0.59 1.71 -0.21 0.00 0.04 0.00 0.00 61.00 63.13 2gej s PRO 179 Cb -0.50 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 2gej s PRO 179 CO 0.57 0.26 1.30 -0.51 0.04 0.00 0.00 177.00 178.66 2gej s LEU 180 N -1.47 3.78 0.52 -3.56 1.02 -1.26 -4.47 118.68 113.25 2gej s LEU 180 Ca 0.45 2.62 -0.20 0.00 0.02 0.00 0.00 54.13 57.01 2gej s LEU 180 Cb -0.30 -4.40 -0.06 0.00 0.02 0.00 0.00 46.19 41.45 2gej s LEU 180 CO 0.38 -1.59 1.14 -0.76 0.02 0.00 0.00 176.35 175.54 2gej s LEU 181 N -3.73 3.81 0.03 1.79 1.43 -1.26 -4.94 118.68 115.81 2gej s LEU 181 Ca 0.74 2.21 -0.26 0.00 -1.03 0.00 0.00 54.13 55.79 2gej s LEU 181 Cb -0.37 -4.50 -0.13 0.00 0.03 0.00 0.00 46.19 41.22 2gej s LEU 181 CO 0.42 -1.15 0.65 0.47 0.23 0.00 0.00 176.35 176.98 2gej n ASP 182 N -1.10 -0.18 -1.45 2.29 9.92 -1.26 -1.74 116.55 123.03 2gej n ASP 182 Ca 0.11 0.79 -0.18 0.00 -0.53 0.00 0.00 54.79 54.98 2gej n ASP 182 Cb 0.50 -0.63 -0.07 0.00 -0.64 0.00 0.00 41.12 40.28 2gej n ASP 182 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2gej n GLY 183 N 1.10 1.43 3.46 0.44 0.00 -1.26 -5.02 105.19 105.33 2gej n GLY 183 Ca 0.13 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 2gej n GLY 183 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gej s TYR 184 N -2.69 2.48 0.94 1.61 1.51 -0.71 -4.52 117.35 115.97 2gej s TYR 184 Ca 0.00 -0.29 -0.14 0.00 -1.01 0.00 0.00 57.07 55.63 2gej s TYR 184 Cb 0.00 -1.33 0.16 0.00 -0.11 0.00 0.00 41.96 40.68 2gej s TYR 184 CO 0.00 0.36 1.19 -2.14 -1.11 0.00 0.00 175.55 173.86 2gej s PRO 185 N -2.07 0.86 0.03 -1.71 0.02 -1.26 -4.77 135.00 126.10 2gej s PRO 185 Ca 0.17 0.02 0.00 0.00 0.02 0.00 0.00 61.00 61.21 2gej s PRO 185 Cb -0.10 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 2gej s PRO 185 CO 0.09 -2.33 0.13 1.03 -0.33 0.00 0.00 177.00 175.58 2gej s ARG 186 N -5.52 3.15 0.10 5.54 0.52 -1.26 -5.01 118.95 116.46 2gej s ARG 186 Ca 0.67 -0.51 -0.25 0.00 -0.52 0.00 0.00 55.73 55.12 2gej s ARG 186 Cb -0.10 -2.90 -0.12 0.00 0.52 0.00 0.00 34.95 32.35 2gej s ARG 186 CO 0.53 0.62 1.69 1.05 0.02 0.00 0.00 175.30 179.21 2gej h GLU 187 N 3.58 -0.25 0.00 3.54 -0.00 -1.94 -2.21 114.58 117.30 2gej h GLU 187 Ca -0.47 0.02 0.00 0.00 -0.00 0.00 0.00 59.36 58.90 2gej h GLU 187 Cb 1.17 0.06 0.00 0.00 -0.00 0.00 0.00 28.75 29.98 2gej h GLU 187 CO 0.67 -0.17 0.00 0.41 -0.00 0.00 0.00 179.01 179.93 2gej n GLY 188 N -1.24 -0.48 0.97 1.06 0.00 -1.26 -4.96 105.19 99.29 2gej n GLY 188 Ca -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2gej n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gej n ARG 189 N -0.85 -2.57 -4.38 1.61 3.00 -0.83 -2.71 116.66 109.92 2gej n ARG 189 Ca 0.08 1.99 -0.19 0.00 -0.01 0.00 0.00 57.85 59.73 2gej n ARG 189 Cb 0.04 -2.48 -0.14 0.00 0.00 0.00 0.00 32.46 29.88 2gej n ARG 189 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2gej s THR 190 N -4.77 0.78 -0.08 0.55 -1.32 -1.26 -2.41 115.64 107.13 2gej s THR 190 Ca 0.00 -0.50 0.03 0.00 -1.21 0.00 0.00 61.69 60.01 2gej s THR 190 Cb 0.00 -0.67 -0.02 0.00 -1.51 0.00 0.00 72.50 70.31 2gej s THR 190 CO 0.00 0.16 -0.18 0.54 -2.21 0.00 0.00 174.62 172.94 2gej s VAL 191 N -0.34 2.71 -0.15 5.08 0.11 0.54 -1.16 120.40 127.18 2gej s VAL 191 Ca 0.03 -0.82 -0.06 0.00 -2.93 0.00 0.00 61.98 58.19 2gej s VAL 191 Cb -0.04 -2.07 -0.04 0.00 -1.53 0.00 0.00 36.38 32.70 2gej s VAL 191 CO -0.00 0.56 0.07 -0.22 -3.33 0.00 0.00 175.10 172.18 2gej s LEU 192 N -0.15 3.90 -0.05 2.54 2.96 0.06 0.01 118.68 127.95 2gej s LEU 192 Ca -0.02 0.18 0.04 0.00 -0.22 0.00 0.00 54.13 54.11 2gej s LEU 192 Cb -0.14 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.59 2gej s LEU 192 CO 0.04 0.27 -0.16 0.12 -1.32 0.00 0.00 176.35 175.29 2gej s PHE 193 N -0.18 1.70 -0.19 5.38 5.36 -0.30 -0.57 117.98 129.19 2gej s PHE 193 Ca 0.08 -0.54 -0.01 0.00 -0.96 0.00 0.00 56.93 55.50 2gej s PHE 193 Cb -0.12 -1.16 0.05 0.00 -0.34 0.00 0.00 43.02 41.45 2gej s PHE 193 CO 0.01 -0.21 -0.01 -1.17 -1.46 0.00 0.00 175.22 172.39 2gej s LEU 194 N 0.20 1.53 0.00 6.12 2.96 -1.26 -0.62 118.68 127.62 2gej s LEU 194 Ca -0.07 -0.80 0.00 0.00 -0.22 0.00 0.00 54.13 53.04 2gej s LEU 194 Cb -0.13 -0.79 0.00 0.00 0.50 0.00 0.00 46.19 45.78 2gej s LEU 194 CO 0.03 -0.25 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 2gej n GLY 195 N 4.93 -2.36 3.58 7.98 0.00 0.02 -4.98 105.19 114.37 2gej n GLY 195 Ca -0.10 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 2gej n GLY 195 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gej s ARG 196 N -1.92 3.43 0.41 1.61 0.52 -1.26 -4.25 118.95 117.49 2gej s ARG 196 Ca 0.00 -1.65 0.23 0.00 -0.52 0.00 0.00 55.73 53.79 2gej s ARG 196 Cb 0.00 -5.42 1.27 0.00 0.52 0.00 0.00 34.95 31.31 2gej s ARG 196 CO 0.00 -2.88 1.68 0.10 0.02 0.00 0.00 175.30 174.22 2gej h TYR 197 N 8.47 0.00 -0.63 -0.53 -0.00 -1.90 -2.14 116.97 120.24 2gej h TYR 197 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.08 2gej h TYR 197 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.63 2gej h TYR 197 CO 1.34 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 179.10 2gej n ASP 198 N -2.38 3.61 -4.66 0.10 5.68 -1.26 -4.56 116.55 113.07 2gej n ASP 198 Ca -0.02 -1.99 -0.41 0.00 -0.50 0.00 0.00 54.79 51.88 2gej n ASP 198 Cb 0.16 -0.42 -0.05 0.00 -1.14 0.00 0.00 41.12 39.67 2gej n ASP 198 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2gej s GLU 199 N -1.16 4.22 0.43 0.11 2.02 -0.80 -4.99 118.70 118.53 2gej s GLU 199 Ca 0.45 0.73 0.12 0.00 0.02 0.00 0.00 54.97 56.29 2gej s GLU 199 Cb 0.24 -3.59 0.99 0.00 0.10 0.00 0.00 34.13 31.87 2gej s GLU 199 CO 0.31 -0.29 2.00 -1.35 0.02 0.00 0.00 175.26 175.95 2gej h PRO 200 N 7.49 0.43 -0.07 0.39 0.11 -1.88 -2.24 132.00 136.23 2gej h PRO 200 Ca -0.30 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.80 2gej h PRO 200 Cb 1.14 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2gej h PRO 200 CO 0.80 0.28 0.06 0.00 -0.21 0.00 0.00 178.00 178.93 2gej h ARG 201 N 0.44 0.00 0.00 1.05 3.08 -1.94 -0.53 114.38 116.49 2gej h ARG 201 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2gej h ARG 201 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2gej h ARG 201 CO -0.07 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.46 2gej n LYS 202 N -4.12 0.15 -0.96 0.04 4.76 -0.84 0.99 118.16 118.18 2gej n LYS 202 Ca -0.01 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 2gej n LYS 202 Cb 0.16 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.63 2gej n LYS 202 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2gej n GLY 203 N 0.66 0.43 0.38 0.72 0.00 -0.21 -3.80 105.19 103.36 2gej n GLY 203 Ca 0.04 -0.87 0.14 0.00 0.00 0.00 0.00 46.02 45.33 2gej n GLY 203 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2gej h MET 204 N 0.19 0.50 -0.10 1.61 -1.53 -1.80 -1.62 114.93 112.18 2gej h MET 204 Ca 0.00 -0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.23 2gej h MET 204 Cb 0.00 -0.11 -0.00 0.00 -0.55 0.00 0.00 31.60 30.93 2gej h MET 204 CO 0.00 0.33 0.07 0.00 0.14 0.00 0.00 176.91 177.45 2gej h ALA 205 N 1.63 1.94 0.15 0.39 0.00 -1.89 0.94 119.26 122.41 2gej h ALA 205 Ca 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 2gej h ALA 205 Cb 0.81 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2gej h ALA 205 CO -0.15 0.05 -0.07 0.28 0.00 0.00 0.00 179.25 179.36 2gej h VAL 206 N 0.13 0.98 0.00 0.00 2.07 -1.64 -0.74 116.25 117.05 2gej h VAL 206 Ca 0.04 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 2gej h VAL 206 Cb -0.00 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2gej h VAL 206 CO -0.01 0.23 -0.05 0.25 0.02 0.00 0.00 177.57 178.01 2gej h LEU 207 N -0.74 0.00 -0.26 2.57 5.85 -1.38 0.02 115.31 121.37 2gej h LEU 207 Ca -0.02 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 2gej h LEU 207 Cb 0.52 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2gej h LEU 207 CO 0.03 0.05 -0.00 0.25 -0.34 0.00 0.00 178.44 178.43 2gej h LEU 208 N 0.00 0.46 -1.23 2.25 5.85 -0.77 -2.10 115.31 119.77 2gej h LEU 208 Ca -0.00 -0.31 -0.08 0.00 0.84 0.00 0.00 57.88 58.33 2gej h LEU 208 Cb 0.09 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2gej h LEU 208 CO 0.01 0.66 -0.32 0.00 -0.34 0.00 0.00 178.44 178.45 2gej h ALA 209 N 0.82 1.36 0.00 1.25 0.00 0.50 -2.70 119.26 120.49 2gej h ALA 209 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2gej h ALA 209 Cb 0.43 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2gej h ALA 209 CO 0.01 0.46 -0.45 0.00 0.00 0.00 0.00 179.25 179.27 2gej h ALA 210 N 1.58 0.77 -0.77 0.00 0.00 -1.12 -3.39 119.26 116.34 2gej h ALA 210 Ca 0.01 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.10 2gej h ALA 210 Cb 0.62 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.29 2gej h ALA 210 CO 0.04 0.00 0.19 1.25 0.00 0.00 0.00 179.25 180.73 2gej h LEU 211 N 0.00 0.01 -0.74 0.00 5.85 -1.03 -0.78 115.31 118.62 2gej h LEU 211 Ca 0.00 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2gej h LEU 211 Cb 0.98 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 2gej h LEU 211 CO 0.00 -0.06 0.44 -0.65 -0.34 0.00 0.00 178.44 177.83 2gej h PRO 212 N 0.26 1.01 -0.84 5.25 0.11 -1.76 0.30 132.00 136.33 2gej h PRO 212 Ca 0.44 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 66.46 2gej h PRO 212 Cb 0.78 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.64 2gej h PRO 212 CO -0.54 0.72 0.54 0.87 -0.21 0.00 0.00 178.00 179.38 2gej h LYS 213 N 1.01 1.12 0.60 1.05 6.56 -1.51 -2.07 116.57 123.34 2gej h LYS 213 Ca 0.26 -0.08 -0.03 0.00 -1.06 0.00 0.00 60.65 59.75 2gej h LYS 213 Cb -0.02 -0.25 0.00 0.00 -0.57 0.00 0.00 32.23 31.40 2gej h LYS 213 CO -0.05 0.76 -0.32 -0.07 -2.06 0.00 0.00 179.45 177.71 2gej h LEU 214 N 1.15 -0.79 -1.24 2.94 3.38 -0.34 -3.13 115.31 117.29 2gej h LEU 214 Ca 0.31 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.38 2gej h LEU 214 Cb -0.09 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 2gej h LEU 214 CO -0.06 -0.53 0.55 0.58 0.09 0.00 0.00 178.44 179.07 2gej h VAL 215 N -0.85 1.03 0.00 1.22 2.07 -0.35 0.15 116.25 119.52 2gej h VAL 215 Ca -0.08 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2gej h VAL 215 Cb 0.67 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2gej h VAL 215 CO 0.11 0.17 -0.06 0.00 0.02 0.00 0.00 177.57 177.80 2gej h ALA 216 N 1.55 1.61 0.14 1.67 0.00 -1.36 -2.89 119.26 119.99 2gej h ALA 216 Ca 0.36 -0.05 -0.36 0.00 0.00 0.00 0.00 54.91 54.86 2gej h ALA 216 Cb 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2gej h ALA 216 CO -0.13 0.07 -1.93 -0.09 0.00 0.00 0.00 179.25 177.17 2gej h ARG 217 N 0.00 0.30 -2.92 0.00 9.65 -0.71 -3.42 114.38 117.28 2gej h ARG 217 Ca -0.00 -0.52 -0.61 0.00 -1.10 0.00 0.00 59.98 57.75 2gej h ARG 217 Cb 0.13 0.19 -0.41 0.00 -1.39 0.00 0.00 29.97 28.50 2gej h ARG 217 CO 0.01 1.25 -0.71 -0.06 2.80 0.00 0.00 179.97 183.26 2gej s PHE 218 N -2.56 2.60 -0.28 2.20 0.40 -0.43 -4.99 117.98 114.92 2gej s PHE 218 Ca -0.21 -2.89 0.08 0.00 -0.60 0.00 0.00 56.93 53.32 2gej s PHE 218 Cb 0.06 -2.12 0.45 0.00 0.51 0.00 0.00 43.02 41.93 2gej s PHE 218 CO 0.79 -0.68 1.13 -0.35 0.70 0.00 0.00 175.22 176.81 2gej n PRO 219 N 2.63 0.06 -0.14 0.24 -0.04 -1.10 0.40 135.00 137.05 2gej n PRO 219 Ca 0.18 0.47 0.05 0.00 -0.04 0.00 0.00 63.50 64.16 2gej n PRO 219 Cb 0.38 -1.91 0.12 0.00 -0.04 0.00 0.00 33.50 32.04 2gej n PRO 219 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2gej n ASP 220 N -1.77 2.66 -4.68 3.54 -0.08 -1.26 -5.05 116.55 109.91 2gej n ASP 220 Ca -0.01 -2.37 -0.43 0.00 -1.51 0.00 0.00 54.79 50.48 2gej n ASP 220 Cb 0.24 -0.24 -0.01 0.00 2.34 0.00 0.00 41.12 43.45 2gej n ASP 220 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 2gej n VAL 221 N -0.37 1.99 -4.49 5.18 3.14 0.16 -4.36 118.33 119.58 2gej n VAL 221 Ca 0.10 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.65 2gej n VAL 221 Cb 0.48 -1.49 -0.15 0.00 -1.06 0.00 0.00 33.84 31.63 2gej n VAL 221 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2gej s GLU 222 N -1.81 3.32 -0.57 1.45 2.12 -1.01 -4.76 118.70 117.44 2gej s GLU 222 Ca 0.56 -0.69 -0.22 0.00 0.36 0.00 0.00 54.97 54.97 2gej s GLU 222 Cb -0.59 -2.71 0.06 0.00 0.26 0.00 0.00 34.13 31.15 2gej s GLU 222 CO 0.62 0.05 0.85 0.42 -0.54 0.00 0.00 175.26 176.66 2gej s ILE 223 N 0.76 4.53 -0.32 -3.70 -1.09 0.16 -0.34 121.20 121.20 2gej s ILE 223 Ca -0.05 -0.16 -0.19 0.00 -2.23 0.00 0.00 60.65 58.02 2gej s ILE 223 Cb -0.15 -4.51 -0.01 0.00 -1.58 0.00 0.00 42.46 36.21 2gej s ILE 223 CO 0.01 -1.12 0.58 -0.22 -1.23 0.00 0.00 174.94 172.96 2gej s LEU 224 N 3.56 4.20 -0.19 2.97 2.96 0.10 -1.02 118.68 131.25 2gej s LEU 224 Ca 0.23 0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 54.41 2gej s LEU 224 Cb -0.16 -2.72 0.01 0.00 0.50 0.00 0.00 46.19 43.82 2gej s LEU 224 CO 0.14 -0.46 -0.13 -0.63 -1.32 0.00 0.00 176.35 173.95 2gej s ILE 225 N 2.52 2.65 -0.14 6.68 1.01 -0.03 -1.15 121.20 132.74 2gej s ILE 225 Ca 0.23 -0.74 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 2gej s ILE 225 Cb -0.15 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 2gej s ILE 225 CO 0.12 0.49 0.09 -0.69 0.00 0.00 0.00 174.94 174.95 2gej s VAL 226 N 1.31 5.06 0.00 2.92 1.01 0.21 -1.71 120.40 129.19 2gej s VAL 226 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.07 2gej s VAL 226 Cb -0.14 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.01 2gej s VAL 226 CO -0.08 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.18 2gej n GLY 227 N 2.71 3.26 3.75 4.51 0.00 -0.64 -0.80 105.19 117.98 2gej n GLY 227 Ca -0.18 -1.90 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 2gej n GLY 227 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gej s ARG 228 N -2.54 4.76 0.00 1.61 0.52 -1.26 -4.01 118.95 118.03 2gej s ARG 228 Ca 0.00 1.63 0.00 0.00 -0.52 0.00 0.00 55.73 56.84 2gej s ARG 228 Cb 0.00 -3.24 0.00 0.00 0.52 0.00 0.00 34.95 32.23 2gej s ARG 228 CO 0.00 0.38 0.00 0.41 0.02 0.00 0.00 175.30 176.11 2gej n GLY 229 N 1.39 -0.62 3.53 -3.53 0.00 -1.26 -3.81 105.19 100.90 2gej n GLY 229 Ca -0.01 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 2gej n GLY 229 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gej s ASP 230 N 0.00 6.18 0.09 1.61 -1.08 -1.26 -4.88 116.67 117.32 2gej s ASP 230 Ca 0.00 -0.60 -0.17 0.00 -0.52 0.00 0.00 52.55 51.26 2gej s ASP 230 Cb 0.00 -2.53 -0.09 0.00 -1.46 0.00 0.00 42.92 38.84 2gej s ASP 230 CO 0.00 -1.75 1.44 -0.33 0.52 0.00 0.00 175.17 175.05 2gej h GLU 231 N 9.92 0.58 0.04 4.34 5.08 -1.99 -3.19 114.58 129.35 2gej h GLU 231 Ca -0.26 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 57.86 2gej h GLU 231 Cb 1.05 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 2gej h GLU 231 CO 1.27 0.84 -0.46 -0.44 -1.00 0.00 0.00 179.01 179.21 2gej h ASP 232 N 0.31 -1.40 -0.79 1.42 3.32 -1.99 -0.12 116.42 117.17 2gej h ASP 232 Ca 0.06 0.16 0.21 0.00 0.02 0.00 0.00 57.03 57.48 2gej h ASP 232 Cb 0.68 0.54 -0.04 0.00 0.22 0.00 0.00 39.33 40.73 2gej h ASP 232 CO 0.04 -0.50 0.55 -0.33 -1.72 0.00 0.00 179.24 177.29 2gej h GLU 233 N -0.64 0.11 0.08 3.56 3.07 -1.98 -1.11 114.58 117.68 2gej h GLU 233 Ca 0.03 -0.01 -0.26 0.00 -0.50 0.00 0.00 59.36 58.62 2gej h GLU 233 Cb 0.69 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 2gej h GLU 233 CO -0.31 0.07 -1.36 1.25 -1.40 0.00 0.00 179.01 177.26 2gej h LEU 234 N 0.11 0.27 -0.33 1.33 5.85 -1.46 -2.99 115.31 118.10 2gej h LEU 234 Ca 0.38 -0.80 0.04 0.00 0.84 0.00 0.00 57.88 58.35 2gej h LEU 234 Cb 1.34 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 42.21 2gej h LEU 234 CO -0.05 1.58 -0.54 0.03 -0.34 0.00 0.00 178.44 179.12 2gej h ARG 235 N -0.46 -0.42 -0.84 1.25 3.08 -0.41 0.19 114.38 116.77 2gej h ARG 235 Ca -0.31 0.03 0.16 0.00 0.07 0.00 0.00 59.98 59.93 2gej h ARG 235 Cb 1.64 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 31.72 2gej h ARG 235 CO -0.00 -0.28 0.55 0.93 -1.07 0.00 0.00 179.97 180.10 2gej h GLU 236 N -0.44 0.49 0.13 0.04 4.39 -1.36 -2.53 114.58 115.30 2gej h GLU 236 Ca 0.06 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2gej h GLU 236 Cb 0.61 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2gej h GLU 236 CO -0.54 0.32 -0.06 1.96 -1.16 0.00 0.00 179.01 179.53 2gej h GLN 237 N 0.50 -0.17 0.00 2.33 4.20 -1.02 -2.69 115.11 118.26 2gej h GLN 237 Ca 0.43 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.15 2gej h GLN 237 Cb 0.90 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2gej h GLN 237 CO -0.17 0.19 0.04 0.00 -0.67 0.00 0.00 178.83 178.22 2gej n ALA 238 N -2.37 0.95 -0.02 3.87 0.00 0.54 -4.82 120.51 118.66 2gej n ALA 238 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2gej n ALA 238 Cb 0.23 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.99 2gej n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gej n GLY 239 N -0.97 2.36 0.49 0.00 0.00 -1.02 -0.11 105.19 105.95 2gej n GLY 239 Ca 0.00 0.16 0.31 0.00 0.00 0.00 0.00 46.02 46.49 2gej n GLY 239 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gej h ASP 240 N 0.00 0.00 -0.67 1.61 5.19 -1.90 -2.59 116.42 118.06 2gej h ASP 240 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2gej h ASP 240 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2gej h ASP 240 CO 0.00 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.30 2gej n LEU 241 N -4.08 3.79 0.30 1.55 4.77 0.85 -4.43 117.00 119.75 2gej n LEU 241 Ca 0.21 -1.90 0.17 0.00 -0.03 0.00 0.00 56.01 54.46 2gej n LEU 241 Cb 1.09 -0.47 0.94 0.00 -2.33 0.00 0.00 43.42 42.64 2gej n LEU 241 CO 0.37 0.88 1.10 0.00 -1.33 0.00 0.00 177.39 178.42 2gej h ALA 242 N 4.22 1.31 0.00 -1.18 0.00 -1.50 -1.67 119.26 120.43 2gej h ALA 242 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2gej h ALA 242 Cb 0.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2gej h ALA 242 CO 0.04 0.04 0.00 0.78 0.00 0.00 0.00 179.25 180.10 2gej h GLY 243 N 0.30 0.00 -1.30 0.00 0.00 -1.87 -2.93 103.07 97.27 2gej h GLY 243 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2gej h GLY 243 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.96 2gej n HIS 244 N -2.54 0.12 -4.07 5.60 -0.00 -0.63 -4.83 115.22 108.88 2gej n HIS 244 Ca 0.00 -0.06 -0.36 0.00 -0.00 0.00 0.00 57.72 57.31 2gej n HIS 244 Cb 0.18 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.10 2gej n HIS 244 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2gej s LEU 245 N -1.84 4.00 -0.15 2.41 1.02 -1.11 0.35 118.68 123.37 2gej s LEU 245 Ca 0.34 0.28 -0.01 0.00 0.02 0.00 0.00 54.13 54.76 2gej s LEU 245 Cb 0.20 -1.96 0.04 0.00 0.02 0.00 0.00 46.19 44.49 2gej s LEU 245 CO 0.31 0.35 -0.01 -0.60 0.02 0.00 0.00 176.35 176.42 2gej s ARG 246 N -0.69 0.99 -0.45 1.70 3.52 -0.19 -4.92 118.95 118.90 2gej s ARG 246 Ca 0.12 -0.33 -0.18 0.00 -0.13 0.00 0.00 55.73 55.22 2gej s ARG 246 Cb -0.12 -1.77 0.04 0.00 -1.56 0.00 0.00 34.95 31.54 2gej s ARG 246 CO 0.02 -0.46 0.50 -0.06 -0.81 0.00 0.00 175.30 174.50 2gej s PHE 247 N 1.79 3.13 0.52 5.12 0.40 -1.26 -0.85 117.98 126.84 2gej s PHE 247 Ca 0.01 -0.47 -0.19 0.00 -0.60 0.00 0.00 56.93 55.68 2gej s PHE 247 Cb -0.15 -3.16 -0.07 0.00 0.51 0.00 0.00 43.02 40.15 2gej s PHE 247 CO -0.07 -0.83 1.07 -0.51 0.70 0.00 0.00 175.22 175.59 2gej s LEU 248 N 2.28 3.76 0.00 -0.37 1.43 -0.69 -4.97 118.68 120.11 2gej s LEU 248 Ca 0.13 2.00 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 2gej s LEU 248 Cb -0.18 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.47 2gej s LEU 248 CO 0.13 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.32 2gej n GLY 249 N -0.20 0.94 3.56 -3.19 0.00 -1.26 -4.09 105.19 100.94 2gej n GLY 249 Ca 0.10 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 2gej n GLY 249 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2gej s GLN 250 N 0.29 3.98 0.66 1.61 0.74 -1.26 -1.63 119.66 124.07 2gej s GLN 250 Ca 0.00 -2.05 -0.11 0.00 0.05 0.00 0.00 55.36 53.25 2gej s GLN 250 Cb 0.00 -5.44 -0.01 0.00 1.10 0.00 0.00 33.01 28.66 2gej s GLN 250 CO 0.00 -2.17 1.06 0.14 -0.55 0.00 0.00 175.29 173.77 2gej s VAL 251 N 3.79 3.98 0.90 1.34 -7.23 -1.26 -4.99 120.40 116.92 2gej s VAL 251 Ca 0.51 0.60 -0.12 0.00 -1.81 0.00 0.00 61.98 61.17 2gej s VAL 251 Cb 0.03 -3.63 0.13 0.00 0.56 0.00 0.00 36.38 33.46 2gej s VAL 251 CO 0.06 -0.82 1.11 1.51 -0.31 0.00 0.00 175.10 176.64 2gej s ASP 252 N -4.29 3.58 0.32 4.85 1.47 -1.26 -4.80 116.67 116.55 2gej s ASP 252 Ca 0.57 1.23 0.04 0.00 1.18 0.00 0.00 52.55 55.56 2gej s ASP 252 Cb -0.11 -1.90 0.56 0.00 -0.34 0.00 0.00 42.92 41.13 2gej s ASP 252 CO 0.52 -2.54 1.85 0.44 0.68 0.00 0.00 175.17 176.13 2gej h ASP 253 N -1.48 0.52 -0.56 2.11 3.32 -1.99 -1.54 116.42 116.80 2gej h ASP 253 Ca -0.50 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.38 2gej h ASP 253 Cb 1.30 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 2gej h ASP 253 CO 0.58 0.60 0.10 0.00 -1.72 0.00 0.00 179.24 178.80 2gej h ALA 254 N 1.47 0.74 -0.45 3.45 0.00 -1.98 -1.27 119.26 121.22 2gej h ALA 254 Ca 0.11 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2gej h ALA 254 Cb 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2gej h ALA 254 CO 0.01 0.47 -0.07 1.15 0.00 0.00 0.00 179.25 180.82 2gej h THR 255 N 0.81 1.25 -0.27 0.00 2.02 -1.85 -1.22 112.91 113.65 2gej h THR 255 Ca 0.17 -1.10 -0.08 0.00 0.77 0.00 0.00 66.41 66.17 2gej h THR 255 Cb 0.40 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2gej h THR 255 CO 0.01 0.38 -0.13 0.50 0.37 0.00 0.00 175.52 176.65 2gej h LYS 256 N 0.71 0.57 0.03 6.66 3.64 -0.98 0.42 116.57 127.62 2gej h LYS 256 Ca 0.13 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 59.28 2gej h LYS 256 Cb 0.54 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 2gej h LYS 256 CO 0.03 0.81 -0.20 0.00 -2.27 0.00 0.00 179.45 177.82 2gej h ALA 257 N 0.74 -0.28 -0.16 5.00 0.00 -1.22 0.02 119.26 123.36 2gej h ALA 257 Ca 0.06 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2gej h ALA 257 Cb 0.64 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2gej h ALA 257 CO 0.04 -0.71 -0.16 0.77 0.00 0.00 0.00 179.25 179.19 2gej h SER 258 N -0.34 -0.50 -0.99 0.00 0.02 -0.74 -1.25 113.55 109.75 2gej h SER 258 Ca 0.05 0.10 0.18 0.00 -0.84 0.00 0.00 61.79 61.28 2gej h SER 258 Cb 0.41 0.24 -0.10 0.00 0.14 0.00 0.00 62.40 63.09 2gej h SER 258 CO -0.17 -0.20 0.59 0.00 -1.14 0.00 0.00 176.83 175.91 2gej h ALA 259 N 0.89 1.61 -0.01 3.77 0.00 -0.03 -1.44 119.26 124.06 2gej h ALA 259 Ca 0.11 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2gej h ALA 259 Cb 0.34 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2gej h ALA 259 CO -0.27 -0.03 -0.00 1.98 0.00 0.00 0.00 179.25 180.93 2gej h MET 260 N 0.77 0.01 -0.00 0.00 -1.53 -0.20 -2.94 114.93 111.04 2gej h MET 260 Ca 0.56 -0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.81 2gej h MET 260 Cb 0.83 -0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.88 2gej h MET 260 CO -0.37 0.41 -0.02 -0.09 0.14 0.00 0.00 176.91 176.98 2gej h ARG 261 N -0.39 0.00 -0.31 0.39 2.43 -0.91 -2.72 114.38 112.89 2gej h ARG 261 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2gej h ARG 261 Cb 0.41 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2gej h ARG 261 CO 0.00 0.02 0.00 -1.13 -1.51 0.00 0.00 179.97 177.36 2gej n SER 262 N -4.51 2.44 -4.97 -3.80 3.41 -0.57 -4.87 113.62 100.75 2gej n SER 262 Ca -0.03 -1.87 -0.22 0.00 -0.26 0.00 0.00 58.87 56.50 2gej n SER 262 Cb 0.11 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 2gej n SER 262 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gej s ALA 263 N -1.60 3.92 -0.21 7.33 0.00 -1.03 -4.52 121.76 125.65 2gej s ALA 263 Ca 0.34 -1.19 0.06 0.00 0.00 0.00 0.00 51.96 51.18 2gej s ALA 263 Cb 0.19 -1.96 -0.21 0.00 0.00 0.00 0.00 23.12 21.14 2gej s ALA 263 CO 0.27 -0.19 -0.02 -0.25 0.00 0.00 0.00 175.76 175.57 2gej n ASP 264 N -1.86 1.39 -4.05 0.00 8.00 -0.31 -4.87 116.55 114.84 2gej n ASP 264 Ca -0.00 -0.03 -0.16 0.00 0.71 0.00 0.00 54.79 55.31 2gej n ASP 264 Cb 0.58 -0.06 -0.13 0.00 -0.02 0.00 0.00 41.12 41.49 2gej n ASP 264 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2gej s VAL 265 N -2.52 0.68 -0.22 2.53 1.01 -1.14 -4.05 120.40 116.69 2gej s VAL 265 Ca -0.25 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 60.91 2gej s VAL 265 Cb 0.08 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 2gej s VAL 265 CO 0.70 -0.08 0.08 -0.47 0.00 0.00 0.00 175.10 175.33 2gej s TYR 266 N -0.77 3.19 -0.26 5.22 5.04 -0.24 -0.76 117.35 128.77 2gej s TYR 266 Ca -0.02 -0.09 -0.06 0.00 -2.44 0.00 0.00 57.07 54.46 2gej s TYR 266 Cb -0.07 -2.17 -0.01 0.00 0.35 0.00 0.00 41.96 40.06 2gej s TYR 266 CO 0.00 -0.06 0.05 0.00 -1.34 0.00 0.00 175.55 174.21 2gej s ALA 268 N 1.55 3.52 -0.39 0.00 0.00 -0.33 -4.57 121.76 121.54 2gej s ALA 268 Ca 0.05 -3.14 0.07 0.00 0.00 0.00 0.00 51.96 48.93 2gej s ALA 268 Cb -0.16 -2.63 0.55 0.00 0.00 0.00 0.00 23.12 20.88 2gej s ALA 268 CO 0.02 -2.06 1.54 -0.35 0.00 0.00 0.00 175.76 174.91 2gej n PRO 269 N 3.67 2.91 -0.70 0.00 -0.04 -1.26 -0.08 135.00 139.50 2gej n PRO 269 Ca 0.06 -2.26 -0.32 0.00 -0.04 0.00 0.00 63.50 60.95 2gej n PRO 269 Cb 0.38 -1.97 0.16 0.00 -0.04 0.00 0.00 33.50 32.04 2gej n PRO 269 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2gej n HIS 270 N -0.11 -0.07 0.40 0.54 8.25 -1.25 -4.22 115.22 118.76 2gej n HIS 270 Ca 0.32 0.31 0.07 0.00 -0.26 0.00 0.00 57.72 58.16 2gej n HIS 270 Cb 1.15 -1.90 -0.09 0.00 1.12 0.00 0.00 29.99 30.27 2gej n HIS 270 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2gej n LEU 271 N -3.29 0.41 0.00 2.41 4.77 0.28 -4.79 117.00 116.79 2gej n LEU 271 Ca 0.09 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 2gej n LEU 271 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2gej n LEU 271 CO 0.50 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2gej n GLY 272 N 1.47 -0.62 2.55 -0.72 0.00 -1.25 -5.03 105.19 101.60 2gej n GLY 272 Ca 0.01 -1.32 -0.19 0.00 0.00 0.00 0.00 46.02 44.52 2gej n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gej n GLY 273 N 0.00 -0.50 2.91 -0.02 0.00 -1.26 -4.77 105.19 101.55 2gej n GLY 273 Ca 0.00 0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 2gej n GLY 273 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gej s GLU 274 N -5.19 1.54 0.09 1.61 0.41 -1.26 -4.99 118.70 110.91 2gej s GLU 274 Ca 0.07 -0.54 0.23 0.00 -0.41 0.00 0.00 54.97 54.32 2gej s GLU 274 Cb -0.03 -2.03 0.11 0.00 -1.78 0.00 0.00 34.13 30.40 2gej s GLU 274 CO 0.08 -0.41 1.09 0.43 -0.49 0.00 0.00 175.26 175.96 2gej n SER 275 N 4.85 0.64 -3.66 -0.19 7.64 -1.26 -4.51 113.62 117.14 2gej n SER 275 Ca -0.12 -0.03 -0.14 0.00 1.01 0.00 0.00 58.87 59.58 2gej n SER 275 Cb 0.48 0.61 -0.08 0.00 -1.01 0.00 0.00 64.21 64.21 2gej n SER 275 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2gej s PHE 276 N -3.22 -0.61 -0.90 1.43 5.36 -1.26 -4.72 117.98 114.05 2gej s PHE 276 Ca 0.03 1.41 -0.02 0.00 -0.96 0.00 0.00 56.93 57.39 2gej s PHE 276 Cb 0.13 0.24 0.29 0.00 -0.34 0.00 0.00 43.02 43.34 2gej s PHE 276 CO 0.78 -0.36 2.09 0.41 -1.46 0.00 0.00 175.22 176.68 2gej n GLY 277 N 2.39 5.56 0.33 13.12 0.00 -1.26 -4.79 105.19 120.53 2gej n GLY 277 Ca -0.15 -2.40 -0.05 0.00 0.00 0.00 0.00 46.02 43.42 2gej n GLY 277 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2gej h ILE 278 N 2.12 1.24 -0.74 -0.61 2.10 -1.98 0.35 117.51 119.99 2gej h ILE 278 Ca 0.55 -0.60 0.16 0.00 1.08 0.00 0.00 64.86 66.04 2gej h ILE 278 Cb 0.23 0.15 -0.05 0.00 -1.09 0.00 0.00 36.82 36.06 2gej h ILE 278 CO 1.29 0.27 0.50 0.58 -1.08 0.00 0.00 178.15 179.71 2gej h VAL 279 N 1.13 0.77 0.41 2.19 2.07 -1.99 0.97 116.25 121.80 2gej h VAL 279 Ca 0.29 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 2gej h VAL 279 Cb 0.03 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2gej h VAL 279 CO -0.05 0.06 -0.20 -0.07 0.02 0.00 0.00 177.57 177.34 2gej h LEU 280 N 0.35 -0.47 -0.93 2.57 4.07 -0.69 -0.44 115.31 119.77 2gej h LEU 280 Ca 0.36 -0.05 0.24 0.00 0.08 0.00 0.00 57.88 58.51 2gej h LEU 280 Cb 0.92 0.12 -0.13 0.00 1.08 0.00 0.00 40.66 42.65 2gej h LEU 280 CO -0.10 -0.23 0.43 0.58 -1.08 0.00 0.00 178.44 178.04 2gej h VAL 281 N -0.69 0.43 -0.70 1.22 2.07 -0.62 0.10 116.25 118.07 2gej h VAL 281 Ca -0.06 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2gej h VAL 281 Cb 0.49 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 2gej h VAL 281 CO 0.09 0.07 0.38 -0.33 0.02 0.00 0.00 177.57 177.80 2gej h GLU 282 N 0.39 0.97 -0.33 1.57 5.08 0.25 -1.02 114.58 121.49 2gej h GLU 282 Ca 0.60 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.77 2gej h GLU 282 Cb 1.20 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 2gej h GLU 282 CO -0.55 0.73 -0.11 0.00 -1.00 0.00 0.00 179.01 178.08 2gej h ALA 283 N 1.19 1.20 -0.04 3.43 0.00 0.72 -2.33 119.26 123.42 2gej h ALA 283 Ca 0.24 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2gej h ALA 283 Cb 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2gej h ALA 283 CO -0.04 0.52 0.01 0.52 0.00 0.00 0.00 179.25 180.26 2gej h MET 284 N 0.51 0.06 -0.48 0.00 2.86 -0.83 -1.50 114.93 115.56 2gej h MET 284 Ca 0.09 -0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.86 2gej h MET 284 Cb 0.50 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 2gej h MET 284 CO 0.03 0.27 0.34 0.00 1.06 0.00 0.00 176.91 178.61 2gej h ALA 285 N 0.79 2.44 0.00 6.32 0.00 -1.00 -0.62 119.26 127.19 2gej h ALA 285 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gej h ALA 285 Cb 0.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2gej h ALA 285 CO 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 179.25 178.68 2gej h ALA 286 N 1.76 1.00 -0.18 0.00 0.00 -1.20 -2.17 119.26 118.47 2gej h ALA 286 Ca 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2gej h ALA 286 Cb 0.89 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2gej h ALA 286 CO -0.01 0.00 -0.04 0.41 0.00 0.00 0.00 179.25 179.61 2gej n GLY 287 N 1.20 0.41 3.62 0.00 0.00 -0.24 -4.67 105.19 105.50 2gej n GLY 287 Ca 0.05 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 2gej n GLY 287 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gej s THR 288 N -2.08 5.28 0.24 2.61 2.01 -0.59 -4.89 115.64 118.22 2gej s THR 288 Ca 0.00 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 2gej s THR 288 Cb 0.00 -3.49 -0.14 0.00 0.01 0.00 0.00 72.50 68.88 2gej s THR 288 CO 0.00 0.31 1.15 0.00 -0.69 0.00 0.00 174.62 175.39 2gej n ALA 289 N 4.64 -0.09 -2.81 7.40 0.00 -1.26 -4.19 120.51 124.21 2gej n ALA 289 Ca -0.15 0.42 -0.36 0.00 0.00 0.00 0.00 53.44 53.35 2gej n ALA 289 Cb 0.52 -2.08 -0.07 0.00 0.00 0.00 0.00 19.45 17.81 2gej n ALA 289 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2gej s VAL 290 N -0.58 5.15 -0.09 0.00 1.01 -1.26 -1.08 120.40 123.54 2gej s VAL 290 Ca 0.65 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.75 2gej s VAL 290 Cb -0.74 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 2gej s VAL 290 CO 0.55 0.58 -0.24 -0.69 0.00 0.00 0.00 175.10 175.30 2gej s VAL 291 N -0.69 2.06 0.02 2.92 1.01 -0.20 -1.90 120.40 123.62 2gej s VAL 291 Ca 0.12 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 2gej s VAL 291 Cb -0.12 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 2gej s VAL 291 CO 0.03 0.56 0.04 0.00 0.00 0.00 0.00 175.10 175.73 2gej s ALA 292 N 0.27 0.00 0.06 5.51 0.00 0.20 -1.18 121.76 126.62 2gej s ALA 292 Ca -0.17 -0.53 0.29 0.00 0.00 0.00 0.00 51.96 51.55 2gej s ALA 292 Cb -0.17 0.18 1.55 0.00 0.00 0.00 0.00 23.12 24.68 2gej s ALA 292 CO 0.08 -0.23 1.89 1.03 0.00 0.00 0.00 175.76 178.54 2gej h SER 293 N 4.18 0.00 -1.74 0.00 0.87 -0.71 -1.82 113.55 114.32 2gej h SER 293 Ca -0.32 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.18 2gej h SER 293 Cb 1.19 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.17 2gej h SER 293 CO 0.45 0.00 -0.10 -0.67 -0.53 0.00 0.00 176.83 175.99 2gej n ASP 294 N -2.53 -2.59 -4.82 6.23 2.03 -1.23 -3.71 116.55 109.92 2gej n ASP 294 Ca -0.02 -0.08 -0.34 0.00 0.52 0.00 0.00 54.79 54.88 2gej n ASP 294 Cb 0.07 -1.15 -0.07 0.00 -0.72 0.00 0.00 41.12 39.25 2gej n ASP 294 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2gej s LEU 295 N -1.94 4.08 0.25 -2.67 1.43 -1.26 -4.81 118.68 113.75 2gej s LEU 295 Ca 0.08 1.56 -0.13 0.00 -1.03 0.00 0.00 54.13 54.61 2gej s LEU 295 Cb -0.03 -4.22 0.33 0.00 0.03 0.00 0.00 46.19 42.29 2gej s LEU 295 CO 0.10 -0.23 1.53 0.47 0.23 0.00 0.00 176.35 178.45 2gej n ASP 296 N -0.22 -0.52 0.12 2.29 9.92 -1.26 -0.86 116.55 126.02 2gej n ASP 296 Ca 0.04 1.70 0.01 0.00 -0.53 0.00 0.00 54.79 56.02 2gej n ASP 296 Cb 0.53 -0.44 0.35 0.00 -0.64 0.00 0.00 41.12 40.91 2gej n ASP 296 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2gej h ALA 297 N 1.62 1.40 -0.13 2.24 0.00 -1.85 -2.70 119.26 119.85 2gej h ALA 297 Ca 0.40 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 2gej h ALA 297 Cb 0.64 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2gej h ALA 297 CO -0.99 0.42 -0.71 0.74 0.00 0.00 0.00 179.25 178.70 2gej h PHE 298 N 0.20 0.78 -0.96 0.00 -1.00 -1.34 -2.88 116.94 111.74 2gej h PHE 298 Ca 0.03 -0.33 0.08 0.00 2.81 0.00 0.00 57.97 60.57 2gej h PHE 298 Cb 0.50 -0.12 -0.07 0.00 3.61 0.00 0.00 35.95 39.87 2gej h PHE 298 CO 0.01 1.11 0.62 -0.09 -1.61 0.00 0.00 178.31 178.35 2gej h ARG 299 N 0.41 1.02 -0.40 1.51 2.43 -1.02 -0.80 114.38 117.54 2gej h ARG 299 Ca -0.03 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 58.99 2gej h ARG 299 Cb 1.30 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 2gej h ARG 299 CO 0.13 0.68 -0.10 0.00 -1.51 0.00 0.00 179.97 179.17 2gej h ARG 300 N 1.05 0.77 -0.27 0.20 3.08 -1.30 -0.44 114.38 117.47 2gej h ARG 300 Ca 0.43 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 2gej h ARG 300 Cb 0.28 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2gej h ARG 300 CO -0.18 0.90 -0.26 0.28 -1.07 0.00 0.00 179.97 179.64 2gej h VAL 301 N 0.58 1.27 -0.23 2.04 2.07 -1.24 -2.42 116.25 118.33 2gej h VAL 301 Ca 0.10 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.31 2gej h VAL 301 Cb 0.62 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2gej h VAL 301 CO 0.04 0.42 0.00 0.18 0.02 0.00 0.00 177.57 178.23 2gej n LEU 302 N -4.11 2.11 -3.63 2.57 4.77 -0.35 -4.89 117.00 113.46 2gej n LEU 302 Ca -0.00 -0.89 -0.20 0.00 -0.03 0.00 0.00 56.01 54.88 2gej n LEU 302 Cb 0.42 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2gej n LEU 302 CO 0.43 0.45 -0.10 0.00 -1.33 0.00 0.00 177.39 176.83 2gej n ALA 303 N 0.62 -2.73 -1.40 -1.18 0.00 -0.27 -0.66 120.51 114.89 2gej n ALA 303 Ca 0.17 -0.22 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 2gej n ALA 303 Cb 0.39 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 2gej n ALA 303 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2gej n ASP 304 N -2.42 -5.20 0.00 0.00 8.00 -0.64 -1.84 116.55 114.45 2gej n ASP 304 Ca -0.24 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2gej n ASP 304 Cb 0.64 -4.21 0.00 0.00 -0.02 0.00 0.00 41.12 37.54 2gej n ASP 304 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gej n GLY 305 N -0.03 0.61 0.16 0.44 0.00 -0.97 -4.97 105.19 100.43 2gej n GLY 305 Ca -0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.92 2gej n GLY 305 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2gej h ASP 306 N 0.00 0.00 0.00 1.61 1.82 -1.01 -3.37 116.42 115.47 2gej h ASP 306 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2gej h ASP 306 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2gej h ASP 306 CO 0.00 0.41 -0.00 0.00 -1.61 0.00 0.00 179.24 178.03 2gej n ALA 307 N -2.21 2.07 0.00 -0.78 0.00 0.17 -4.71 120.51 115.04 2gej n ALA 307 Ca 0.02 -1.53 0.00 0.00 0.00 0.00 0.00 53.44 51.93 2gej n ALA 307 Cb 0.68 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2gej n ALA 307 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gej n GLY 308 N -0.80 1.18 3.72 0.00 0.00 -1.26 -4.39 105.19 103.65 2gej n GLY 308 Ca 0.05 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 2gej n GLY 308 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2gej s ARG 309 N -2.00 4.25 0.01 1.61 6.06 -0.80 -4.25 118.95 123.83 2gej s ARG 309 Ca 0.00 0.06 -0.00 0.00 -2.50 0.00 0.00 55.73 53.29 2gej s ARG 309 Cb 0.00 -3.43 -0.04 0.00 0.06 0.00 0.00 34.95 31.54 2gej s ARG 309 CO 0.00 0.23 0.10 -0.51 -2.50 0.00 0.00 175.30 172.62 2gej s LEU 310 N 0.50 3.99 -0.00 -0.88 1.43 -1.26 -0.63 118.68 121.84 2gej s LEU 310 Ca 0.16 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.44 2gej s LEU 310 Cb -0.13 -2.39 -0.01 0.00 0.03 0.00 0.00 46.19 43.70 2gej s LEU 310 CO 0.03 0.25 -0.06 -0.69 0.23 0.00 0.00 176.35 176.12 2gej s VAL 311 N -1.25 0.45 0.97 -1.59 1.01 -0.68 -4.96 120.40 114.35 2gej s VAL 311 Ca 0.25 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.80 2gej s VAL 311 Cb -0.12 -0.39 0.07 0.00 0.00 0.00 0.00 36.38 35.93 2gej s VAL 311 CO 0.16 0.09 0.51 -2.65 0.00 0.00 0.00 175.10 173.21 2gej n PRO 312 N 2.84 -0.52 0.11 2.72 -0.02 -1.26 -3.58 135.00 135.29 2gej n PRO 312 Ca -0.14 -0.11 -0.04 0.00 -2.02 0.00 0.00 63.50 61.19 2gej n PRO 312 Cb 0.58 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 2gej n PRO 312 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2gej h VAL 313 N -1.71 0.00 -1.15 -1.45 -1.51 -1.88 -3.33 116.25 105.23 2gej h VAL 313 Ca -0.45 -0.09 -0.69 0.00 -1.23 0.00 0.00 66.70 64.24 2gej h VAL 313 Cb 1.29 0.00 -0.29 0.00 -2.13 0.00 0.00 31.29 30.15 2gej h VAL 313 CO 0.36 0.00 0.82 -0.67 -1.23 0.00 0.00 177.57 176.85 2gej n ASP 314 N -3.04 7.54 -4.01 4.19 2.03 -1.26 -4.89 116.55 117.11 2gej n ASP 314 Ca -0.04 -3.80 -0.33 0.00 0.52 0.00 0.00 54.79 51.15 2gej n ASP 314 Cb 0.11 -0.96 -0.12 0.00 -0.72 0.00 0.00 41.12 39.43 2gej n ASP 314 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2gej s ASP 315 N -1.81 4.76 0.29 1.67 2.15 -1.25 -4.92 116.67 117.56 2gej s ASP 315 Ca 0.62 -3.00 -0.02 0.00 0.43 0.00 0.00 52.55 50.58 2gej s ASP 315 Cb 0.49 -1.74 0.42 0.00 -0.30 0.00 0.00 42.92 41.80 2gej s ASP 315 CO -0.07 -0.28 1.90 0.00 -0.17 0.00 0.00 175.17 176.55 2gej h ALA 316 N 6.66 1.32 -0.52 3.66 0.00 -1.90 -1.60 119.26 126.89 2gej h ALA 316 Ca -0.04 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.85 2gej h ALA 316 Cb 0.91 -0.28 -0.11 0.00 0.00 0.00 0.00 17.79 18.32 2gej h ALA 316 CO 0.70 0.54 -0.30 -0.44 0.00 0.00 0.00 179.25 179.76 2gej h ASP 317 N 0.97 -1.02 0.13 0.00 5.19 -1.91 -0.84 116.42 118.95 2gej h ASP 317 Ca 0.24 0.20 -0.12 0.00 -0.62 0.00 0.00 57.03 56.74 2gej h ASP 317 Cb 0.07 0.51 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 2gej h ASP 317 CO -0.04 -0.29 -0.41 1.23 -3.12 0.00 0.00 179.24 176.61 2gej h GLY 318 N -0.17 0.40 0.85 2.75 0.00 -1.86 -2.98 103.07 102.06 2gej h GLY 318 Ca 0.22 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 2gej h GLY 318 CO -0.61 0.35 0.05 1.98 0.00 0.00 0.00 176.54 178.31 2gej h MET 319 N 0.30 0.28 0.40 4.80 1.85 -0.60 0.24 114.93 122.19 2gej h MET 319 Ca 0.03 -0.06 -0.01 0.00 -0.61 0.00 0.00 59.70 59.04 2gej h MET 319 Cb 0.86 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.83 2gej h MET 319 CO 0.07 0.40 -0.35 0.00 -0.40 0.00 0.00 176.91 176.63 2gej h ALA 320 N 0.86 -1.06 -0.90 0.39 0.00 -1.10 -0.55 119.26 116.90 2gej h ALA 320 Ca 0.06 -0.14 0.25 0.00 0.00 0.00 0.00 54.91 55.07 2gej h ALA 320 Cb 0.24 0.56 -0.15 0.00 0.00 0.00 0.00 17.79 18.44 2gej h ALA 320 CO -0.00 -1.07 0.20 0.00 0.00 0.00 0.00 179.25 178.38 2gej h ALA 321 N -1.22 1.29 0.68 0.00 0.00 -1.49 0.33 119.26 118.85 2gej h ALA 321 Ca -0.05 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2gej h ALA 321 Cb 0.62 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2gej h ALA 321 CO -0.02 -0.52 -0.46 0.00 0.00 0.00 0.00 179.25 178.26 2gej h ALA 322 N 1.83 -1.23 -0.95 0.00 0.00 -0.65 0.20 119.26 118.47 2gej h ALA 322 Ca 0.57 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.29 2gej h ALA 322 Cb 1.19 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 19.52 2gej h ALA 322 CO -0.72 -1.20 0.62 -0.07 0.00 0.00 0.00 179.25 177.89 2gej h LEU 323 N -1.08 1.05 -0.41 0.00 3.38 -0.13 -2.00 115.31 116.12 2gej h LEU 323 Ca -0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2gej h LEU 323 Cb 0.88 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2gej h LEU 323 CO 0.07 0.74 0.26 0.40 0.09 0.00 0.00 178.44 180.00 2gej h ILE 324 N 1.23 1.12 -0.58 1.22 2.04 -0.22 -0.23 117.51 122.08 2gej h ILE 324 Ca 0.36 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 66.01 2gej h ILE 324 Cb -0.06 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 2gej h ILE 324 CO -0.10 0.11 0.36 1.23 0.00 0.00 0.00 178.15 179.75 2gej h GLY 325 N 0.55 0.82 1.04 5.37 0.00 -0.09 -2.24 103.07 108.52 2gej h GLY 325 Ca 0.15 -0.27 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 2gej h GLY 325 CO -0.03 0.24 -0.22 -2.22 0.00 0.00 0.00 176.54 174.31 2gej h ILE 326 N 0.71 1.28 -0.10 2.60 1.08 -1.02 -2.64 117.51 119.42 2gej h ILE 326 Ca 0.23 -1.37 -0.03 0.00 -0.39 0.00 0.00 64.86 63.30 2gej h ILE 326 Cb 0.00 1.30 -0.00 0.00 -3.07 0.00 0.00 36.82 35.05 2gej h ILE 326 CO -0.09 0.46 -0.07 -0.07 -0.69 0.00 0.00 178.15 177.69 2gej h LEU 327 N 0.66 0.23 -0.59 1.44 3.38 -0.82 -3.24 115.31 116.36 2gej h LEU 327 Ca 0.09 -0.44 -0.13 0.00 0.09 0.00 0.00 57.88 57.48 2gej h LEU 327 Cb 0.78 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2gej h LEU 327 CO 0.06 0.63 -0.64 1.05 0.09 0.00 0.00 178.44 179.63 2gej h GLU 328 N -0.16 0.00 -3.96 1.13 4.11 -1.50 -3.40 114.58 110.79 2gej h GLU 328 Ca 0.02 0.00 -0.78 0.00 0.07 0.00 0.00 59.36 58.67 2gej h GLU 328 Cb 0.55 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.55 2gej h GLU 328 CO 0.02 0.64 0.09 0.34 0.07 0.00 0.00 179.01 180.16 2gej s ASP 329 N -6.70 6.65 0.13 3.06 -1.08 -1.00 -4.95 116.67 112.78 2gej s ASP 329 Ca -0.00 -2.48 -0.20 0.00 -0.52 0.00 0.00 52.55 49.35 2gej s ASP 329 Cb 0.11 -2.22 -0.03 0.00 -1.46 0.00 0.00 42.92 39.32 2gej s ASP 329 CO 0.76 -0.66 1.71 0.44 0.52 0.00 0.00 175.17 177.94 2gej h ASP 330 N 8.06 -0.13 -0.54 -0.34 3.32 -1.80 -2.94 116.42 122.05 2gej h ASP 330 Ca 0.03 0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.23 2gej h ASP 330 Cb 1.05 0.10 -0.07 0.00 0.22 0.00 0.00 39.33 40.63 2gej h ASP 330 CO 0.83 -0.04 0.12 1.56 -1.72 0.00 0.00 179.24 179.99 2gej h GLN 331 N 0.03 0.26 0.34 3.56 4.20 -1.94 -1.39 115.11 120.16 2gej h GLN 331 Ca 0.09 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2gej h GLN 331 Cb 0.13 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2gej h GLN 331 CO -0.18 0.17 -0.48 1.25 -0.67 0.00 0.00 178.83 178.92 2gej h LEU 332 N 0.26 -1.36 -0.16 1.46 5.85 -1.89 -1.59 115.31 117.89 2gej h LEU 332 Ca 0.27 0.12 0.02 0.00 0.84 0.00 0.00 57.88 59.14 2gej h LEU 332 Cb 0.37 0.47 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 2gej h LEU 332 CO -0.34 -0.60 -0.24 -0.09 -0.34 0.00 0.00 178.44 176.83 2gej h ARG 333 N -0.86 -0.18 -0.61 1.25 2.43 -1.36 -0.16 114.38 114.90 2gej h ARG 333 Ca -0.03 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.22 2gej h ARG 333 Cb 0.80 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.30 2gej h ARG 333 CO -0.14 -0.12 -0.31 0.00 -1.51 0.00 0.00 179.97 177.89 2gej n ALA 334 N -2.86 -0.25 -0.17 2.80 0.00 -0.56 0.56 120.51 120.03 2gej n ALA 334 Ca -0.02 0.56 -0.01 0.00 0.00 0.00 0.00 53.44 53.97 2gej n ALA 334 Cb 0.15 -0.17 0.08 0.00 0.00 0.00 0.00 19.45 19.52 2gej n ALA 334 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2gej h GLY 335 N 0.00 0.70 0.94 0.00 0.00 -0.64 0.32 103.07 104.39 2gej h GLY 335 Ca 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 2gej h GLY 335 CO -0.59 -0.05 -0.31 -0.97 0.00 0.00 0.00 176.54 174.62 2gej h TYR 336 N 0.30 -0.81 -0.58 5.60 0.99 0.20 0.93 116.97 123.58 2gej h TYR 336 Ca 0.27 -0.01 0.09 0.00 2.00 0.00 0.00 58.73 61.08 2gej h TYR 336 Cb 0.35 0.28 -0.03 0.00 1.00 0.00 0.00 36.73 38.33 2gej h TYR 336 CO -0.21 -0.49 0.39 0.28 -0.00 0.00 0.00 178.16 178.14 2gej h VAL 337 N -0.82 0.91 0.11 -2.88 2.07 -0.38 0.27 116.25 115.53 2gej h VAL 337 Ca -0.07 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2gej h VAL 337 Cb 0.65 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2gej h VAL 337 CO 0.10 0.08 -0.05 0.00 0.02 0.00 0.00 177.57 177.71 2gej h ALA 338 N 1.70 -0.15 -0.72 1.67 0.00 -0.12 -1.34 119.26 120.29 2gej h ALA 338 Ca 0.27 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2gej h ALA 338 Cb 0.50 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2gej h ALA 338 CO -0.07 -0.30 0.43 0.00 0.00 0.00 0.00 179.25 179.31 2gej h ARG 339 N -0.72 0.98 -0.33 0.00 3.08 -0.25 -2.00 114.38 115.14 2gej h ARG 339 Ca -0.02 -0.09 -0.15 0.00 0.07 0.00 0.00 59.98 59.79 2gej h ARG 339 Cb 0.54 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 2gej h ARG 339 CO 0.03 0.70 -0.39 0.00 -1.07 0.00 0.00 179.97 179.24 2gej h ALA 340 N 1.22 0.50 -0.58 0.04 0.00 -0.58 -2.01 119.26 117.85 2gej h ALA 340 Ca 0.26 -0.45 0.12 0.00 0.00 0.00 0.00 54.91 54.84 2gej h ALA 340 Cb -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2gej h ALA 340 CO -0.05 0.60 0.40 0.77 0.00 0.00 0.00 179.25 180.97 2gej h SER 341 N 0.64 0.25 0.03 0.00 0.02 -1.02 -0.90 113.55 112.56 2gej h SER 341 Ca 0.05 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.87 2gej h SER 341 Cb 0.98 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.49 2gej h SER 341 CO 0.09 0.14 -0.55 1.05 -1.14 0.00 0.00 176.83 176.43 2gej h GLU 342 N 0.27 0.32 0.00 3.45 4.11 -0.78 -3.30 114.58 118.65 2gej h GLU 342 Ca 0.27 -0.38 -0.06 0.00 0.07 0.00 0.00 59.36 59.27 2gej h GLU 342 Cb 0.71 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2gej h GLU 342 CO -0.06 1.09 -0.27 -0.09 0.07 0.00 0.00 179.01 179.75 2gej h ARG 343 N -0.28 0.00 0.00 1.06 2.43 -1.04 -3.23 114.38 113.32 2gej h ARG 343 Ca -0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2gej h ARG 343 Cb 1.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2gej h ARG 343 CO 0.11 0.27 0.00 1.55 -1.51 0.00 0.00 179.97 180.39 2gej n VAL 344 N -3.69 0.91 0.22 0.20 3.14 -0.37 -2.23 118.33 116.51 2gej n VAL 344 Ca -0.01 0.23 0.06 0.00 -2.96 0.00 0.00 64.34 61.65 2gej n VAL 344 Cb 0.38 -0.97 0.50 0.00 -1.06 0.00 0.00 33.84 32.69 2gej n VAL 344 CO 0.00 0.00 0.00 0.45 -6.46 0.00 0.00 176.83 170.82 2gej h HIS 345 N 0.00 0.00 -0.56 1.45 3.86 -1.76 -1.72 115.15 116.42 2gej h HIS 345 Ca 0.00 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.34 2gej h HIS 345 Cb 0.24 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 2gej h HIS 345 CO 0.00 0.22 0.38 -0.09 0.86 0.00 0.00 177.93 179.30 2gej h ARG 346 N 0.00 0.19 -0.02 2.45 2.43 -1.72 -2.33 114.38 115.37 2gej h ARG 346 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2gej h ARG 346 Cb 0.40 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2gej h ARG 346 CO 0.03 0.12 -0.09 0.66 -1.51 0.00 0.00 179.97 179.19 2gej n TYR 347 N -4.43 0.00 -2.34 2.20 4.02 -0.65 -4.67 117.16 111.29 2gej n TYR 347 Ca 0.10 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.64 2gej n TYR 347 Cb 0.49 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.79 2gej n TYR 347 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2gej s ASP 348 N -2.10 5.98 0.31 7.72 2.15 -0.88 -0.74 116.67 129.11 2gej s ASP 348 Ca 0.29 2.13 0.08 0.00 0.43 0.00 0.00 52.55 55.48 2gej s ASP 348 Cb 0.20 -2.58 0.84 0.00 -0.30 0.00 0.00 42.92 41.08 2gej s ASP 348 CO 0.36 -1.04 1.74 -0.50 -0.17 0.00 0.00 175.17 175.56 2gej h TRP 349 N 1.47 1.00 -0.78 -5.34 4.06 -0.85 -2.24 115.95 113.28 2gej h TRP 349 Ca -0.50 0.04 0.10 0.00 2.06 0.00 0.00 58.89 60.59 2gej h TRP 349 Cb 1.25 -0.29 -0.05 0.00 -1.00 0.00 0.00 29.16 29.07 2gej h TRP 349 CO 0.53 0.10 0.51 0.66 -3.56 0.00 0.00 178.44 176.68 2gej h SER 350 N 0.61 0.62 0.24 -3.49 4.64 -1.91 0.26 113.55 114.53 2gej h SER 350 Ca 0.62 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.95 2gej h SER 350 Cb 1.13 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2gej h SER 350 CO -0.46 0.37 -0.12 0.58 -0.87 0.00 0.00 176.83 176.34 2gej h VAL 351 N 0.69 0.50 -0.50 0.95 2.07 -1.71 -3.28 116.25 114.97 2gej h VAL 351 Ca 0.36 -0.93 -0.11 0.00 0.82 0.00 0.00 66.70 66.84 2gej h VAL 351 Cb 0.47 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2gej h VAL 351 CO -0.13 0.13 -0.11 0.58 0.02 0.00 0.00 177.57 178.05 2gej h VAL 352 N -0.97 1.27 0.00 2.57 2.07 -1.23 -1.50 116.25 118.45 2gej h VAL 352 Ca -0.03 -1.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.19 2gej h VAL 352 Cb 0.46 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2gej h VAL 352 CO 0.05 0.43 -0.27 0.77 0.02 0.00 0.00 177.57 178.58 2gej h SER 353 N 0.84 0.00 0.24 0.57 4.64 -0.68 -2.17 113.55 117.00 2gej h SER 353 Ca 0.13 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 2gej h SER 353 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2gej h SER 353 CO 0.05 0.27 -0.12 0.00 -0.87 0.00 0.00 176.83 176.16 2gej h ALA 354 N 1.73 -0.32 -0.97 5.18 0.00 -1.36 -1.91 119.26 121.62 2gej h ALA 354 Ca -0.00 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.89 2gej h ALA 354 Cb 0.49 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 2gej h ALA 354 CO 0.03 -0.53 0.58 1.96 0.00 0.00 0.00 179.25 181.30 2gej h GLN 355 N -0.63 0.81 -0.19 0.00 4.20 -1.16 -0.52 115.11 117.62 2gej h GLN 355 Ca -0.03 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.47 2gej h GLN 355 Cb 0.45 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2gej h GLN 355 CO 0.05 0.54 -0.55 0.82 -0.67 0.00 0.00 178.83 179.02 2gej h ILE 356 N 0.83 1.32 -0.43 2.54 2.04 -1.34 -2.87 117.51 119.59 2gej h ILE 356 Ca 0.52 -1.80 -0.05 0.00 1.00 0.00 0.00 64.86 64.53 2gej h ILE 356 Cb 0.66 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 2gej h ILE 356 CO -0.33 0.56 0.09 -0.03 0.00 0.00 0.00 178.15 178.44 2gej h MET 357 N 0.44 0.71 -0.97 2.37 4.05 -0.29 0.24 114.93 121.48 2gej h MET 357 Ca 0.01 -0.18 0.07 0.00 -0.28 0.00 0.00 59.70 59.32 2gej h MET 357 Cb 1.10 -0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 31.74 2gej h MET 357 CO 0.10 0.73 0.62 0.00 0.23 0.00 0.00 176.91 178.59 2gej h ARG 358 N 0.57 1.07 -0.13 0.39 3.08 -1.21 0.18 114.38 118.34 2gej h ARG 358 Ca 0.13 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2gej h ARG 358 Cb 0.35 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2gej h ARG 358 CO 0.01 0.71 0.05 0.28 -1.07 0.00 0.00 179.97 179.95 2gej h VAL 359 N 1.10 1.14 -0.85 2.04 2.07 -1.11 -0.04 116.25 120.61 2gej h VAL 359 Ca 0.43 -0.43 0.19 0.00 0.82 0.00 0.00 66.70 67.71 2gej h VAL 359 Cb 0.21 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 2gej h VAL 359 CO -0.19 0.13 0.57 1.88 0.02 0.00 0.00 177.57 179.98 2gej h TYR 360 N 0.06 0.49 0.18 1.57 0.99 0.74 -2.28 116.97 118.72 2gej h TYR 360 Ca 0.04 0.01 -0.30 0.00 2.00 0.00 0.00 58.73 60.49 2gej h TYR 360 Cb 0.16 -0.15 0.02 0.00 1.00 0.00 0.00 36.73 37.76 2gej h TYR 360 CO -0.02 0.15 -1.34 0.93 -0.00 0.00 0.00 178.16 177.88 2gej h GLU 361 N 0.39 0.37 -0.29 4.88 5.08 -0.17 -2.71 114.58 122.13 2gej h GLU 361 Ca 0.43 -0.64 0.04 0.00 -1.00 0.00 0.00 59.36 58.19 2gej h GLU 361 Cb 1.09 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 2gej h GLU 361 CO -0.15 1.30 0.20 1.15 -1.00 0.00 0.00 179.01 180.51 2gej h THR 362 N 0.10 0.98 0.00 1.13 2.02 -0.65 -3.12 112.91 113.37 2gej h THR 362 Ca -0.18 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 66.91 2gej h THR 362 Cb 2.05 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 2gej h THR 362 CO 0.23 0.04 -1.00 0.52 0.37 0.00 0.00 175.52 175.68 2gej n VAL 363 N -4.49 0.16 -4.39 3.16 0.31 -0.89 -4.96 118.33 107.23 2gej n VAL 363 Ca 0.03 -0.23 -0.26 0.00 -0.01 0.00 0.00 64.34 63.87 2gej n VAL 363 Cb 0.19 0.23 -0.09 0.00 -0.91 0.00 0.00 33.84 33.26 2gej n VAL 363 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2gej s SER 364 N -3.86 4.10 -0.27 4.52 1.04 -1.03 -4.62 113.70 113.58 2gej s SER 364 Ca 0.04 -1.13 -0.26 0.00 0.48 0.00 0.00 55.95 55.08 2gej s SER 364 Cb 0.15 -0.46 0.14 0.00 0.10 0.00 0.00 66.02 65.94 2gej s SER 364 CO 0.80 -0.36 1.11 -0.83 0.98 0.00 0.00 173.24 174.94 2gej s GLY 365 N -3.74 -0.07 0.02 7.32 0.00 -1.26 -4.92 107.32 104.67 2gej s GLY 365 Ca 0.36 2.77 -0.33 0.00 0.00 0.00 0.00 44.72 47.52 2gej s GLY 365 CO 0.19 1.76 0.85 0.00 0.00 0.00 0.00 173.10 175.91 2gej n ALA 366 N 1.93 -3.11 0.00 3.20 0.00 -1.26 -1.48 120.51 119.79 2gej n ALA 366 Ca -0.12 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2gej n ALA 366 Cb 0.56 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.54 2gej n ALA 366 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gej n GLY 367 N 1.32 3.19 3.49 0.00 0.00 -1.26 -4.99 105.19 106.94 2gej n GLY 367 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2gej n GLY 367 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gej s ILE 368 N -1.81 4.76 0.22 -0.61 -1.09 -0.55 -5.06 121.20 117.06 2gej s ILE 368 Ca 0.00 -0.13 0.06 0.00 -2.23 0.00 0.00 60.65 58.35 2gej s ILE 368 Cb 0.00 -4.31 -0.04 0.00 -1.58 0.00 0.00 42.46 36.53 2gej s ILE 368 CO 0.00 -0.79 0.22 -0.54 -1.23 0.00 0.00 174.94 172.60 2gej s LYS 369 N 2.95 3.07 0.35 2.79 -0.14 -1.26 -4.64 119.74 122.85 2gej s LYS 369 Ca 0.21 -0.90 -0.29 0.00 -1.36 0.00 0.00 55.97 53.63 2gej s LYS 369 Cb -0.16 -2.69 -0.11 0.00 -1.68 0.00 0.00 37.83 33.20 2gej s LYS 369 CO 0.16 0.44 1.39 0.08 -0.76 0.00 0.00 175.35 176.66 2gej s VAL 370 N -1.96 2.43 0.12 3.17 1.01 -0.30 -4.63 120.40 120.24 2gej s VAL 370 Ca 0.33 0.43 -0.00 0.00 0.00 0.00 0.00 61.98 62.74 2gej s VAL 370 Cb -0.09 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2gej s VAL 370 CO 0.26 0.10 0.01 -1.10 0.00 0.00 0.00 175.10 174.37 2gej s GLN 371 N -1.84 0.91 0.10 2.72 -0.21 -0.43 -4.58 119.66 116.33 2gej s GLN 371 Ca 0.51 -1.41 -0.30 0.00 0.02 0.00 0.00 55.36 54.18 2gej s GLN 371 Cb -0.43 0.06 -0.06 0.00 1.00 0.00 0.00 33.01 33.58 2gej s GLN 371 CO 0.57 -0.17 1.04 0.08 -2.12 0.00 0.00 175.29 174.69 2gej s VAL 372 N -3.88 4.31 -1.43 1.09 1.01 -1.26 -0.18 120.40 120.05 2gej s VAL 372 Ca 0.20 1.84 0.00 0.00 0.00 0.00 0.00 61.98 64.01 2gej s VAL 372 Cb 0.07 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2gej s VAL 372 CO -0.00 0.24 0.36 -1.20 0.00 0.00 0.00 175.10 174.50