#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6e n GLU 7 N 0.00 0.02 -0.44 3.23 -0.58 -1.26 -2.09 120.64 119.52 3i6e n GLU 7 Ca 0.00 -0.02 -0.28 0.00 -0.42 0.00 0.00 57.16 56.45 3i6e n GLU 7 Cb 0.00 -1.50 0.23 0.00 -0.57 0.00 0.00 31.44 29.61 3i6e n GLU 7 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3i6e n GLN 8 N -1.47 -3.13 -4.80 3.49 6.02 -1.26 -4.79 117.38 111.44 3i6e n GLN 8 Ca 0.05 -0.91 -0.26 0.00 -0.01 0.00 0.00 57.00 55.86 3i6e n GLN 8 Cb 0.33 -1.85 -0.15 0.00 1.02 0.00 0.00 30.24 29.60 3i6e n GLN 8 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3i6e s LYS 9 N -4.23 1.49 -0.15 -1.09 1.02 -1.26 -3.14 119.74 112.37 3i6e s LYS 9 Ca 0.59 -0.82 -0.29 0.00 0.02 0.00 0.00 55.97 55.47 3i6e s LYS 9 Cb -0.14 -1.52 -0.02 0.00 -0.52 0.00 0.00 37.83 35.63 3i6e s LYS 9 CO 0.56 0.40 1.26 0.42 -0.92 0.00 0.00 175.35 177.08 3i6e s ILE 10 N -0.63 4.26 -0.42 2.17 1.01 -0.43 -1.67 121.20 125.48 3i6e s ILE 10 Ca 0.07 1.53 0.13 0.00 0.00 0.00 0.00 60.65 62.39 3i6e s ILE 10 Cb -0.08 -3.99 -0.17 0.00 0.01 0.00 0.00 42.46 38.24 3i6e s ILE 10 CO 0.00 -0.12 0.48 2.30 0.00 0.00 0.00 174.94 177.60 3i6e n ILE 11 N 5.27 0.00 -3.74 2.92 -5.35 0.19 -0.04 119.36 118.61 3i6e n ILE 11 Ca 0.14 -0.23 -0.14 0.00 -0.27 0.00 0.00 62.75 62.25 3i6e n ILE 11 Cb 0.45 0.73 -0.09 0.00 -1.74 0.00 0.00 39.64 38.99 3i6e n ILE 11 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i6e s ALA 12 N -2.48 -0.90 -0.09 -1.28 0.00 -1.17 -4.92 121.76 110.93 3i6e s ALA 12 Ca 0.02 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.61 3i6e s ALA 12 Cb 0.10 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.08 3i6e s ALA 12 CO 0.55 -0.24 -0.08 1.41 0.00 0.00 0.00 175.76 177.41 3i6e s MET 13 N -0.81 1.41 -0.05 0.00 1.75 -1.26 -2.17 119.30 118.17 3i6e s MET 13 Ca -0.09 -0.24 0.06 0.00 -1.25 0.00 0.00 55.69 54.17 3i6e s MET 13 Cb -0.04 -1.42 -0.01 0.00 2.84 0.00 0.00 34.83 36.20 3i6e s MET 13 CO 0.03 -0.19 -0.24 -0.51 -0.65 0.00 0.00 175.02 173.47 3i6e s ASP 14 N 1.43 2.90 0.08 1.11 1.01 -0.62 -4.98 116.67 117.61 3i6e s ASP 14 Ca -0.01 -0.48 0.09 0.00 0.71 0.00 0.00 52.55 52.86 3i6e s ASP 14 Cb -0.13 -0.74 -0.03 0.00 1.01 0.00 0.00 42.92 43.03 3i6e s ASP 14 CO -0.05 0.24 -0.23 -0.76 0.21 0.00 0.00 175.17 174.59 3i6e s LEU 15 N -0.18 2.25 -0.06 1.23 1.43 -1.26 -1.39 118.68 120.69 3i6e s LEU 15 Ca -0.02 -0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 52.42 3i6e s LEU 15 Cb -0.13 -1.02 0.03 0.00 0.03 0.00 0.00 46.19 45.10 3i6e s LEU 15 CO 0.03 0.14 0.06 0.26 0.23 0.00 0.00 176.35 177.06 3i6e s TRP 16 N -0.99 0.13 -0.41 0.29 0.51 -0.60 -4.30 118.94 113.58 3i6e s TRP 16 Ca 0.09 0.14 -0.18 0.00 -2.12 0.00 0.00 56.10 54.03 3i6e s TRP 16 Cb -0.10 -0.54 0.02 0.00 -0.81 0.00 0.00 33.47 32.04 3i6e s TRP 16 CO 0.04 -0.25 0.52 -1.58 -0.51 0.00 0.00 176.95 175.17 3i6e s HIS 17 N 2.15 3.14 0.16 -1.98 5.65 0.27 -0.78 115.29 123.90 3i6e s HIS 17 Ca 0.05 -0.14 0.04 0.00 0.25 0.00 0.00 55.06 55.25 3i6e s HIS 17 Cb -0.13 -3.04 -0.04 0.00 -1.18 0.00 0.00 32.58 28.20 3i6e s HIS 17 CO -0.04 -0.71 0.20 -0.51 -0.65 0.00 0.00 174.74 173.03 3i6e s LEU 18 N 2.40 4.04 -0.31 8.88 1.43 0.45 0.15 118.68 135.73 3i6e s LEU 18 Ca 0.17 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 3i6e s LEU 18 Cb -0.16 -2.63 0.10 0.00 0.03 0.00 0.00 46.19 43.53 3i6e s LEU 18 CO 0.15 0.06 0.08 0.00 0.23 0.00 0.00 176.35 176.87 3i6e s ALA 19 N -1.76 1.81 -0.20 4.21 0.00 -0.68 -2.33 121.76 122.81 3i6e s ALA 19 Ca 0.33 -1.79 -0.09 0.00 0.00 0.00 0.00 51.96 50.40 3i6e s ALA 19 Cb -0.10 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 3i6e s ALA 19 CO 0.26 -1.63 0.12 -0.51 0.00 0.00 0.00 175.76 174.00 3i6e s LEU 20 N 1.47 4.10 0.52 0.00 1.43 0.24 -4.89 118.68 121.56 3i6e s LEU 20 Ca 0.09 0.18 -0.22 0.00 -1.03 0.00 0.00 54.13 53.15 3i6e s LEU 20 Cb -0.18 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.93 3i6e s LEU 20 CO -0.20 0.17 1.31 -2.84 0.23 0.00 0.00 176.35 175.01 3i6e s PRO 21 N 0.44 3.30 -0.02 1.29 0.02 -1.26 -0.42 135.00 138.34 3i6e s PRO 21 Ca 0.07 2.12 -0.04 0.00 0.02 0.00 0.00 61.00 63.16 3i6e s PRO 21 Cb -0.12 -2.30 -0.01 0.00 0.02 0.00 0.00 34.50 32.09 3i6e s PRO 21 CO -0.01 -1.03 -0.09 1.33 -0.33 0.00 0.00 177.00 176.88 3i6e n VAL 22 N -0.89 0.66 0.00 3.83 0.24 -1.26 -1.32 118.33 119.59 3i6e n VAL 22 Ca 0.10 0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.66 3i6e n VAL 22 Cb 0.46 -1.60 0.00 0.00 -1.47 0.00 0.00 33.84 31.23 3i6e n VAL 22 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i6e s GLU 38 N -2.12 4.01 0.16 0.00 2.02 -1.26 -0.59 118.70 120.92 3i6e s GLU 38 Ca 0.00 -0.01 -0.03 0.00 0.02 0.00 0.00 54.97 54.95 3i6e s GLU 38 Cb 0.00 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.85 3i6e s GLU 38 CO 0.00 0.43 0.13 0.96 0.02 0.00 0.00 175.26 176.80 3i6e s ILE 39 N -0.08 0.06 -0.14 -1.63 -4.36 -0.98 -4.56 121.20 109.51 3i6e s ILE 39 Ca 0.15 -1.84 0.02 0.00 -0.26 0.00 0.00 60.65 58.71 3i6e s ILE 39 Cb -0.13 -2.17 0.01 0.00 1.25 0.00 0.00 42.46 41.43 3i6e s ILE 39 CO 0.03 -0.27 -0.19 -0.69 0.24 0.00 0.00 174.94 174.06 3i6e s VAL 40 N -4.07 1.86 -0.12 8.37 1.01 0.13 -0.41 120.40 127.16 3i6e s VAL 40 Ca 0.28 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 3i6e s VAL 40 Cb 0.06 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3i6e s VAL 40 CO 0.05 0.51 0.03 -0.69 0.00 0.00 0.00 175.10 175.00 3i6e s VAL 41 N 1.02 4.54 -0.02 2.92 1.01 0.04 -0.42 120.40 129.48 3i6e s VAL 41 Ca -0.03 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.86 3i6e s VAL 41 Cb -0.15 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 3i6e s VAL 41 CO -0.05 0.56 -0.21 -0.22 0.00 0.00 0.00 175.10 175.19 3i6e s LEU 42 N -0.46 2.38 -0.05 3.92 2.96 0.48 -1.55 118.68 126.36 3i6e s LEU 42 Ca 0.09 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3i6e s LEU 42 Cb -0.12 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.14 3i6e s LEU 42 CO 0.02 0.32 -0.11 -0.60 -1.32 0.00 0.00 176.35 174.67 3i6e s ARG 43 N -0.76 1.37 -0.07 1.98 3.52 -0.49 -1.32 118.95 123.20 3i6e s ARG 43 Ca 0.11 -0.35 0.05 0.00 -0.13 0.00 0.00 55.73 55.41 3i6e s ARG 43 Cb -0.10 -1.19 -0.01 0.00 -1.56 0.00 0.00 34.95 32.08 3i6e s ARG 43 CO 0.00 0.05 -0.22 -0.51 -0.81 0.00 0.00 175.30 173.81 3i6e s LEU 44 N 0.54 2.24 -0.07 -0.88 1.43 0.10 -1.58 118.68 120.45 3i6e s LEU 44 Ca -0.10 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 52.60 3i6e s LEU 44 Cb -0.13 -1.43 -0.00 0.00 0.03 0.00 0.00 46.19 44.65 3i6e s LEU 44 CO 0.02 0.25 -0.23 -0.69 0.23 0.00 0.00 176.35 175.93 3i6e s VAL 45 N -0.17 1.93 0.49 -1.59 1.01 -0.92 0.11 120.40 121.25 3i6e s VAL 45 Ca -0.03 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.03 3i6e s VAL 45 Cb -0.14 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.61 3i6e s VAL 45 CO 0.04 0.53 0.68 0.00 0.00 0.00 0.00 175.10 176.35 3i6e s ALA 46 N 0.12 4.21 0.21 5.51 0.00 -0.32 -0.64 121.76 130.85 3i6e s ALA 46 Ca -0.11 -1.50 -0.10 0.00 0.00 0.00 0.00 51.96 50.25 3i6e s ALA 46 Cb -0.15 -1.86 0.19 0.00 0.00 0.00 0.00 23.12 21.30 3i6e s ALA 46 CO 0.06 -0.53 1.84 0.93 0.00 0.00 0.00 175.76 178.06 3i6e h GLU 47 N 0.34 0.82 0.00 0.00 5.08 -1.66 -0.08 114.58 119.07 3i6e h GLU 47 Ca -0.41 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3i6e h GLU 47 Cb 1.29 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3i6e h GLU 47 CO 0.49 0.54 0.00 0.41 -1.00 0.00 0.00 179.01 179.44 3i6e n GLY 48 N -1.29 -0.70 0.00 -3.84 0.00 -1.26 -4.83 105.19 93.26 3i6e n GLY 48 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3i6e n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6e n GLY 49 N -0.77 1.26 3.72 -0.02 0.00 -0.04 -5.07 105.19 104.27 3i6e n GLY 49 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3i6e n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6e n ALA 50 N -1.98 1.25 -2.35 4.61 0.00 -1.26 -4.64 120.51 116.15 3i6e n ALA 50 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 3i6e n ALA 50 Cb 0.00 -2.31 -0.15 0.00 0.00 0.00 0.00 19.45 16.99 3i6e n ALA 50 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i6e s GLU 51 N -3.04 1.78 -0.02 0.00 2.02 -1.26 -1.17 118.70 117.01 3i6e s GLU 51 Ca 0.76 -1.13 0.04 0.00 0.02 0.00 0.00 54.97 54.67 3i6e s GLU 51 Cb -0.41 -1.97 -0.01 0.00 0.10 0.00 0.00 34.13 31.84 3i6e s GLU 51 CO 0.46 0.51 -0.15 0.20 0.02 0.00 0.00 175.26 176.30 3i6e s GLY 52 N -1.29 0.73 0.12 -1.39 0.00 0.12 -4.42 107.32 101.19 3i6e s GLY 52 Ca 0.12 -0.63 0.11 0.00 0.00 0.00 0.00 44.72 44.32 3i6e s GLY 52 CO 0.02 -0.49 -0.26 -1.36 0.00 0.00 0.00 173.10 171.01 3i6e s PHE 53 N -0.28 2.25 -0.08 1.90 0.08 -1.26 0.01 117.98 120.61 3i6e s PHE 53 Ca 0.04 -0.38 -0.17 0.00 0.12 0.00 0.00 56.93 56.54 3i6e s PHE 53 Cb -0.06 -1.22 0.04 0.00 -0.57 0.00 0.00 43.02 41.20 3i6e s PHE 53 CO -0.00 0.32 0.41 0.20 -0.10 0.00 0.00 175.22 176.05 3i6e s GLY 54 N -2.02 -0.28 0.01 4.36 0.00 -0.43 -3.10 107.32 105.85 3i6e s GLY 54 Ca 0.13 0.82 0.06 0.00 0.00 0.00 0.00 44.72 45.73 3i6e s GLY 54 CO 0.06 0.61 -0.16 1.85 0.00 0.00 0.00 173.10 175.45 3i6e s GLU 55 N -0.67 2.25 -0.19 2.90 2.12 -1.26 -0.39 118.70 123.46 3i6e s GLU 55 Ca -0.08 -0.87 -0.00 0.00 0.36 0.00 0.00 54.97 54.39 3i6e s GLU 55 Cb -0.04 -2.26 0.01 0.00 0.26 0.00 0.00 34.13 32.11 3i6e s GLU 55 CO 0.04 0.57 -0.17 0.00 -0.54 0.00 0.00 175.26 175.16 3i6e s ALA 56 N -0.85 2.43 -0.66 6.30 0.00 0.44 -3.85 121.76 125.56 3i6e s ALA 56 Ca 0.14 -1.21 0.06 0.00 0.00 0.00 0.00 51.96 50.94 3i6e s ALA 56 Cb -0.11 -1.29 0.23 0.00 0.00 0.00 0.00 23.12 21.95 3i6e s ALA 56 CO 0.04 -0.37 0.67 0.43 0.00 0.00 0.00 175.76 176.53 3i6e n SER 57 N 4.66 3.56 -4.79 0.00 7.64 -1.26 -0.70 113.62 122.73 3i6e n SER 57 Ca -0.20 -3.38 -0.35 0.00 1.01 0.00 0.00 58.87 55.95 3i6e n SER 57 Cb 0.50 -0.70 -0.02 0.00 -1.01 0.00 0.00 64.21 62.98 3i6e n SER 57 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3i6e s PRO 58 N -2.18 3.62 -0.33 1.43 0.04 -1.26 -4.59 135.00 131.73 3i6e s PRO 58 Ca 0.35 1.49 0.03 0.00 0.04 0.00 0.00 61.00 62.91 3i6e s PRO 58 Cb 0.09 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.64 3i6e s PRO 58 CO -0.06 -0.60 0.04 -0.46 0.04 0.00 0.00 177.00 175.96 3i6e s TRP 59 N -1.86 3.66 0.26 0.56 -0.11 -1.17 -4.80 118.94 115.48 3i6e s TRP 59 Ca 0.69 -2.81 0.08 0.00 1.22 0.00 0.00 56.10 55.28 3i6e s TRP 59 Cb -0.20 -2.78 0.79 0.00 -1.50 0.00 0.00 33.47 29.78 3i6e s TRP 59 CO 0.24 -0.94 1.24 0.00 -4.62 0.00 0.00 176.95 172.87 3i6e n ALA 60 N 4.33 0.57 1.20 5.86 0.00 -0.73 -0.34 120.51 131.41 3i6e n ALA 60 Ca 0.00 0.83 0.14 0.00 0.00 0.00 0.00 53.44 54.41 3i6e n ALA 60 Cb 0.42 -0.70 0.52 0.00 0.00 0.00 0.00 19.45 19.70 3i6e n ALA 60 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i6e n VAL 61 N -4.98 0.00 0.02 0.00 0.24 -1.26 -4.15 118.33 108.20 3i6e n VAL 61 Ca 0.23 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.50 3i6e n VAL 61 Cb 0.78 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 3i6e n VAL 61 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 3i6e n PHE 62 N -1.21 -0.08 0.02 6.34 7.35 0.54 -4.91 117.46 125.51 3i6e n PHE 62 Ca 0.10 0.01 -0.07 0.00 -0.76 0.00 0.00 57.45 56.74 3i6e n PHE 62 Cb 0.31 0.04 -0.12 0.00 0.35 0.00 0.00 39.48 40.05 3i6e n PHE 62 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 3i6e h THR 63 N 0.00 1.25 0.00 -2.13 1.35 -1.62 -3.50 112.91 108.26 3i6e h THR 63 Ca 0.00 -3.00 0.00 0.00 -0.55 0.00 0.00 66.41 62.86 3i6e h THR 63 Cb 0.00 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 3i6e h THR 63 CO 0.00 0.71 0.00 0.61 -0.25 0.00 0.00 175.52 176.59 3i6e n GLY 64 N 1.44 0.99 3.93 5.82 0.00 -1.11 -4.53 105.19 111.73 3i6e n GLY 64 Ca -0.08 -1.76 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 3i6e n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i6e s THR 65 N -1.37 5.20 0.48 2.61 -4.23 -1.26 -1.77 115.64 115.30 3i6e s THR 65 Ca 0.00 -0.40 0.17 0.00 -1.18 0.00 0.00 61.69 60.27 3i6e s THR 65 Cb 0.00 -3.75 0.23 0.00 1.34 0.00 0.00 72.50 70.32 3i6e s THR 65 CO 0.00 -0.21 2.06 1.55 -0.54 0.00 0.00 174.62 177.48 3i6e h PRO 66 N 1.87 0.00 -0.59 3.99 0.13 -1.94 -1.43 132.00 134.03 3i6e h PRO 66 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 3i6e h PRO 66 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 3i6e h PRO 66 CO 0.67 0.11 0.12 0.93 -0.23 0.00 0.00 178.00 179.60 3i6e h GLU 67 N 0.00 0.96 -0.36 0.86 3.07 -1.99 -0.94 114.58 116.18 3i6e h GLU 67 Ca -0.00 -0.25 -0.02 0.00 -0.50 0.00 0.00 59.36 58.59 3i6e h GLU 67 Cb 0.21 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 3i6e h GLU 67 CO 0.01 0.90 0.14 0.00 -1.40 0.00 0.00 179.01 178.67 3i6e h ALA 68 N 1.02 0.47 -0.02 3.43 0.00 -1.67 -2.41 119.26 120.08 3i6e h ALA 68 Ca 0.18 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3i6e h ALA 68 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3i6e h ALA 68 CO 0.01 0.07 -0.38 0.77 0.00 0.00 0.00 179.25 179.72 3i6e h SER 69 N 0.43 0.04 0.04 0.00 0.02 -1.25 -1.58 113.55 111.25 3i6e h SER 69 Ca 0.12 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3i6e h SER 69 Cb 0.19 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3i6e h SER 69 CO -0.01 0.41 -0.02 0.22 -1.14 0.00 0.00 176.83 176.30 3i6e h TYR 70 N 0.03 -0.05 -0.31 3.45 3.20 -0.96 -2.35 116.97 119.99 3i6e h TYR 70 Ca 0.00 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 3i6e h TYR 70 Cb 0.69 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 3i6e h TYR 70 CO 0.00 0.28 -0.13 0.00 -1.64 0.00 0.00 178.16 176.67 3i6e h ALA 71 N 0.57 1.20 -0.25 1.82 0.00 -1.38 0.29 119.26 121.50 3i6e h ALA 71 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3i6e h ALA 71 Cb 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3i6e h ALA 71 CO 0.01 0.52 0.17 0.00 0.00 0.00 0.00 179.25 179.94 3i6e h ALA 72 N 1.37 0.32 0.19 0.00 0.00 -1.23 0.43 119.26 120.35 3i6e h ALA 72 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3i6e h ALA 72 Cb 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3i6e h ALA 72 CO 0.03 -0.21 -0.09 -0.07 0.00 0.00 0.00 179.25 178.91 3i6e h LEU 73 N 0.34 -0.22 -0.75 0.00 3.38 -1.11 0.20 115.31 117.15 3i6e h LEU 73 Ca 0.09 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.79 3i6e h LEU 73 Cb -0.04 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3i6e h LEU 73 CO -0.02 0.30 0.47 -0.78 0.09 0.00 0.00 178.44 178.51 3i6e h ASP 74 N -0.87 0.77 0.00 -0.43 3.58 -0.45 -1.97 116.42 117.05 3i6e h ASP 74 Ca -0.03 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.12 3i6e h ASP 74 Cb 0.51 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.35 3i6e h ASP 74 CO 0.04 0.52 -2.10 -1.14 -2.88 0.00 0.00 179.24 173.69 3i6e n ARG 75 N -4.64 0.45 0.02 0.28 0.63 0.13 -4.50 116.66 109.03 3i6e n ARG 75 Ca 0.09 0.14 -0.16 0.00 -0.92 0.00 0.00 57.85 57.01 3i6e n ARG 75 Cb 0.10 -1.31 -0.14 0.00 0.45 0.00 0.00 32.46 31.57 3i6e n ARG 75 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 3i6e h TYR 76 N -0.32 0.33 0.00 -0.14 0.05 -1.29 -3.40 116.97 112.21 3i6e h TYR 76 Ca -0.46 -0.24 -0.12 0.00 0.05 0.00 0.00 58.73 57.96 3i6e h TYR 76 Cb 1.56 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 39.27 3i6e h TYR 76 CO -0.02 1.38 -1.60 1.28 -1.05 0.00 0.00 178.16 178.15 3i6e n LEU 77 N -3.35 0.53 -0.17 3.88 4.77 0.66 -4.38 117.00 118.94 3i6e n LEU 77 Ca -0.20 0.22 -0.02 0.00 -0.03 0.00 0.00 56.01 55.98 3i6e n LEU 77 Cb 1.04 0.09 0.06 0.00 -2.33 0.00 0.00 43.42 42.28 3i6e n LEU 77 CO 0.47 0.09 0.82 -0.09 -1.33 0.00 0.00 177.39 177.35 3i6e h ARG 78 N 0.00 0.08 0.00 3.23 2.43 -1.55 -0.91 114.38 117.66 3i6e h ARG 78 Ca -0.14 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3i6e h ARG 78 Cb 1.41 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 3i6e h ARG 78 CO 0.02 0.05 0.00 -0.35 -1.51 0.00 0.00 179.97 178.19 3i6e n PRO 79 N -5.28 0.16 0.03 0.20 -0.04 -1.26 -1.55 135.00 127.26 3i6e n PRO 79 Ca 0.06 0.44 0.11 0.00 -0.04 0.00 0.00 63.50 64.08 3i6e n PRO 79 Cb 0.29 -1.83 0.01 0.00 -0.04 0.00 0.00 33.50 31.92 3i6e n PRO 79 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3i6e n LEU 80 N -2.13 0.60 -0.10 1.53 7.99 -0.39 -4.53 117.00 119.97 3i6e n LEU 80 Ca 0.02 0.01 -0.18 0.00 -0.01 0.00 0.00 56.01 55.84 3i6e n LEU 80 Cb 0.18 -0.09 -0.08 0.00 -0.11 0.00 0.00 43.42 43.32 3i6e n LEU 80 CO 0.16 0.02 -1.17 0.52 -1.51 0.00 0.00 177.39 175.41 3i6e n VAL 81 N -2.04 1.12 -1.71 4.08 0.31 -0.95 -4.77 118.33 114.37 3i6e n VAL 81 Ca 0.01 -0.35 -0.42 0.00 -0.01 0.00 0.00 64.34 63.58 3i6e n VAL 81 Cb 0.45 -1.52 -0.03 0.00 -0.91 0.00 0.00 33.84 31.83 3i6e n VAL 81 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3i6e s ILE 82 N -2.38 2.61 0.00 2.52 -1.09 -0.60 -1.40 121.20 120.87 3i6e s ILE 82 Ca -0.28 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.19 3i6e s ILE 82 Cb 0.09 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.94 3i6e s ILE 82 CO 0.40 -0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.72 3i6e n GLY 83 N 4.29 0.85 3.90 6.18 0.00 0.94 -4.93 105.19 116.41 3i6e n GLY 83 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 3i6e n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i6e s ARG 84 N -0.66 3.58 0.01 1.61 1.81 -0.49 -4.75 118.95 120.06 3i6e s ARG 84 Ca 0.00 0.19 -0.25 0.00 -1.72 0.00 0.00 55.73 53.95 3i6e s ARG 84 Cb 0.00 -2.42 -0.05 0.00 -0.45 0.00 0.00 34.95 32.04 3i6e s ARG 84 CO 0.00 -0.13 0.77 1.03 -0.68 0.00 0.00 175.30 176.30 3i6e s ARG 85 N -4.50 4.49 0.45 3.54 0.52 -1.26 -1.32 118.95 120.87 3i6e s ARG 85 Ca 0.47 1.06 0.21 0.00 -0.52 0.00 0.00 55.73 56.95 3i6e s ARG 85 Cb -0.10 -3.40 1.19 0.00 0.52 0.00 0.00 34.95 33.16 3i6e s ARG 85 CO 0.41 0.19 1.86 0.28 0.02 0.00 0.00 175.30 178.06 3i6e h VAL 86 N 4.36 0.64 0.00 3.52 2.07 -1.64 0.20 116.25 125.40 3i6e h VAL 86 Ca -0.43 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3i6e h VAL 86 Cb 1.20 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3i6e h VAL 86 CO 0.72 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.98 3i6e n GLY 87 N -1.56 -0.98 1.73 2.17 0.00 -0.89 -3.28 105.19 102.38 3i6e n GLY 87 Ca 0.19 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 3i6e n GLY 87 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i6e n ASP 88 N -1.29 3.58 -0.03 1.61 10.43 0.69 -4.66 116.55 126.88 3i6e n ASP 88 Ca 0.10 -2.97 -0.09 0.00 2.57 0.00 0.00 54.79 54.39 3i6e n ASP 88 Cb 0.17 -0.70 -0.03 0.00 1.84 0.00 0.00 41.12 42.39 3i6e n ASP 88 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 3i6e h ARG 89 N 0.96 -0.32 -0.82 -1.24 2.43 -1.74 -0.34 114.38 113.32 3i6e h ARG 89 Ca 0.35 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.66 3i6e h ARG 89 Cb 2.10 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 31.64 3i6e h ARG 89 CO 0.65 -0.22 0.43 0.28 -1.51 0.00 0.00 179.97 179.61 3i6e h VAL 90 N -0.34 0.80 -0.18 0.20 2.07 -1.92 0.27 116.25 117.15 3i6e h VAL 90 Ca 0.12 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 3i6e h VAL 90 Cb 0.52 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3i6e h VAL 90 CO -0.39 0.12 0.01 0.00 0.02 0.00 0.00 177.57 177.33 3i6e h ALA 91 N 1.51 0.25 -0.26 1.67 0.00 -1.77 -0.75 119.26 119.90 3i6e h ALA 91 Ca 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3i6e h ALA 91 Cb 0.52 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3i6e h ALA 91 CO -0.31 -0.05 0.17 0.82 0.00 0.00 0.00 179.25 179.87 3i6e h ILE 92 N 0.08 1.08 -0.29 0.00 2.04 -0.38 -1.52 117.51 118.52 3i6e h ILE 92 Ca 0.05 -0.17 -0.11 0.00 1.00 0.00 0.00 64.86 65.64 3i6e h ILE 92 Cb 0.37 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3i6e h ILE 92 CO 0.01 0.08 -0.29 0.24 0.00 0.00 0.00 178.15 178.18 3i6e h MET 93 N 0.34 0.59 -0.77 2.37 2.86 -0.96 0.18 114.93 119.55 3i6e h MET 93 Ca 0.09 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 3i6e h MET 93 Cb -0.02 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 3i6e h MET 93 CO -0.02 0.82 0.39 0.22 1.06 0.00 0.00 176.91 179.38 3i6e h ASP 94 N 0.51 0.98 -0.07 1.22 3.58 -0.92 -2.35 116.42 119.38 3i6e h ASP 94 Ca 0.06 -0.12 -0.06 0.00 0.42 0.00 0.00 57.03 57.34 3i6e h ASP 94 Cb 0.76 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.56 3i6e h ASP 94 CO 0.06 0.82 -0.20 -0.33 -2.88 0.00 0.00 179.24 176.71 3i6e h GLU 95 N 1.07 0.25 -0.95 0.28 5.08 -0.95 -3.27 114.58 116.09 3i6e h GLU 95 Ca 0.27 -0.18 0.15 0.00 -1.00 0.00 0.00 59.36 58.59 3i6e h GLU 95 Cb 0.08 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.27 3i6e h GLU 95 CO -0.04 0.80 0.56 0.00 -1.00 0.00 0.00 179.01 179.34 3i6e h ALA 96 N 0.45 1.47 -0.96 3.43 0.00 -0.55 0.21 119.26 123.31 3i6e h ALA 96 Ca -0.01 0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.11 3i6e h ALA 96 Cb 0.82 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 3i6e h ALA 96 CO 0.04 0.05 0.61 0.00 0.00 0.00 0.00 179.25 179.95 3i6e h ALA 97 N 1.57 1.70 0.00 0.00 0.00 -1.47 -1.11 119.26 119.95 3i6e h ALA 97 Ca 0.51 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3i6e h ALA 97 Cb 0.64 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3i6e h ALA 97 CO -0.32 0.02 -0.80 0.54 0.00 0.00 0.00 179.25 178.68 3i6e n ARG 98 N -4.62 0.23 0.11 0.00 1.74 -0.12 -4.24 116.66 109.76 3i6e n ARG 98 Ca 0.19 0.03 -0.03 0.00 -0.77 0.00 0.00 57.85 57.27 3i6e n ARG 98 Cb 0.46 -1.61 0.16 0.00 -1.02 0.00 0.00 32.46 30.46 3i6e n ARG 98 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i6e h ALA 99 N 2.62 0.95 -2.89 7.54 0.00 0.27 -3.45 119.26 124.31 3i6e h ALA 99 Ca 0.00 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.24 3i6e h ALA 99 Cb 0.69 -0.09 -0.26 0.00 0.00 0.00 0.00 17.79 18.13 3i6e h ALA 99 CO 0.00 0.71 -0.36 0.54 0.00 0.00 0.00 179.25 180.14 3i6e s VAL 100 N -3.78 -0.02 0.44 0.00 0.11 -1.18 -4.98 120.40 110.99 3i6e s VAL 100 Ca -0.03 0.06 -0.24 0.00 -2.93 0.00 0.00 61.98 58.84 3i6e s VAL 100 Cb 0.12 -0.48 -0.08 0.00 -1.53 0.00 0.00 36.38 34.42 3i6e s VAL 100 CO 0.78 0.02 1.16 0.00 -3.33 0.00 0.00 175.10 173.73 3i6e s ALA 101 N 0.74 3.03 0.00 1.54 0.00 -1.26 -4.81 121.76 121.00 3i6e s ALA 101 Ca -0.05 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.85 3i6e s ALA 101 Cb -0.06 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3i6e s ALA 101 CO -0.05 -0.60 0.00 0.72 0.00 0.00 0.00 175.76 175.83 3i6e n HIS 102 N -0.30 0.00 -3.77 0.00 8.25 -1.26 -4.89 115.22 113.25 3i6e n HIS 102 Ca 0.06 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.27 3i6e n HIS 102 Cb 0.48 0.05 0.04 0.00 1.12 0.00 0.00 29.99 31.67 3i6e n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i6e h THR 104 N -2.07 0.41 -0.39 0.00 1.35 -1.86 -1.72 112.91 108.64 3i6e h THR 104 Ca -0.59 -0.52 -0.12 0.00 -0.55 0.00 0.00 66.41 64.62 3i6e h THR 104 Cb 1.37 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 69.15 3i6e h THR 104 CO 0.61 0.10 -0.23 -0.33 -0.25 0.00 0.00 175.52 175.41 3i6e h GLU 105 N 0.00 0.84 -0.39 4.72 3.07 -1.83 0.63 114.58 121.62 3i6e h GLU 105 Ca -0.00 -0.39 -0.09 0.00 -0.50 0.00 0.00 59.36 58.38 3i6e h GLU 105 Cb 0.36 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 3i6e h GLU 105 CO 0.01 1.03 -0.10 0.00 -1.40 0.00 0.00 179.01 178.55 3i6e h ALA 106 N 0.80 0.54 -0.58 3.43 0.00 -1.70 -0.68 119.26 121.07 3i6e h ALA 106 Ca 0.08 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3i6e h ALA 106 Cb 0.80 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3i6e h ALA 106 CO 0.07 0.41 0.21 0.87 0.00 0.00 0.00 179.25 180.80 3i6e h LYS 107 N 0.56 0.85 -0.26 0.00 1.57 -1.21 0.16 116.57 118.24 3i6e h LYS 107 Ca 0.10 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 3i6e h LYS 107 Cb 0.63 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3i6e h LYS 107 CO 0.04 0.72 -0.29 0.00 -0.57 0.00 0.00 179.45 179.34 3i6e h ALA 108 N 1.39 1.00 -0.22 3.86 0.00 -0.61 -0.77 119.26 123.92 3i6e h ALA 108 Ca 0.19 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3i6e h ALA 108 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3i6e h ALA 108 CO -0.01 0.59 -0.00 0.00 0.00 0.00 0.00 179.25 179.83 3i6e h ALA 109 N 1.22 0.30 -0.09 0.00 0.00 0.08 -0.74 119.26 120.02 3i6e h ALA 109 Ca 0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3i6e h ALA 109 Cb 0.75 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3i6e h ALA 109 CO 0.06 0.02 0.05 1.25 0.00 0.00 0.00 179.25 180.63 3i6e h LEU 110 N 0.15 0.11 -1.10 0.00 5.85 -0.54 -1.42 115.31 118.36 3i6e h LEU 110 Ca 0.06 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3i6e h LEU 110 Cb 0.40 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 3i6e h LEU 110 CO 0.01 0.12 0.61 -0.78 -0.34 0.00 0.00 178.44 178.06 3i6e h ASP 111 N 0.09 1.01 -0.51 1.25 3.58 -1.07 -1.16 116.42 119.60 3i6e h ASP 111 Ca 0.03 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.42 3i6e h ASP 111 Cb 0.03 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 3i6e h ASP 111 CO -0.01 0.69 0.11 0.28 -2.88 0.00 0.00 179.24 177.43 3i6e h SER 112 N 1.17 0.79 -0.60 2.28 0.02 -0.74 -2.11 113.55 114.36 3i6e h SER 112 Ca 0.37 -0.24 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 3i6e h SER 112 Cb 0.01 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 3i6e h SER 112 CO -0.11 0.83 0.01 0.00 -1.14 0.00 0.00 176.83 176.42 3i6e h ALA 113 N 0.99 0.86 -0.63 3.77 0.00 -0.72 0.23 119.26 123.77 3i6e h ALA 113 Ca 0.16 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3i6e h ALA 113 Cb 0.36 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3i6e h ALA 113 CO 0.01 0.67 0.23 -0.07 0.00 0.00 0.00 179.25 180.09 3i6e h LEU 114 N 0.97 0.89 -0.51 0.00 3.38 -1.09 0.31 115.31 119.26 3i6e h LEU 114 Ca 0.18 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3i6e h LEU 114 Cb 0.54 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3i6e h LEU 114 CO 0.03 0.83 -0.41 -0.07 0.09 0.00 0.00 178.44 178.91 3i6e h LEU 115 N 0.89 0.81 -0.23 1.67 3.38 -1.22 -0.23 115.31 120.39 3i6e h LEU 115 Ca 0.21 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3i6e h LEU 115 Cb 0.24 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3i6e h LEU 115 CO -0.01 1.12 0.02 -0.78 0.09 0.00 0.00 178.44 178.88 3i6e h ASP 116 N 0.62 0.38 -0.41 -0.43 3.58 -0.63 0.44 116.42 119.97 3i6e h ASP 116 Ca 0.05 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.21 3i6e h ASP 116 Cb 0.97 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.90 3i6e h ASP 116 CO 0.09 0.56 0.24 0.25 -2.88 0.00 0.00 179.24 177.50 3i6e h LEU 117 N 0.18 0.50 -0.78 2.28 5.85 -0.29 -1.58 115.31 121.46 3i6e h LEU 117 Ca 0.07 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 3i6e h LEU 117 Cb 0.36 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3i6e h LEU 117 CO 0.01 0.43 0.23 0.00 -0.34 0.00 0.00 178.44 178.77 3i6e h ALA 118 N 1.10 1.01 -0.67 1.25 0.00 -0.90 -1.93 119.26 119.11 3i6e h ALA 118 Ca 0.15 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3i6e h ALA 118 Cb 0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3i6e h ALA 118 CO -0.03 0.66 0.19 0.78 0.00 0.00 0.00 179.25 180.86 3i6e h GLY 119 N 1.12 1.14 0.88 0.00 0.00 -0.61 -1.33 103.07 104.28 3i6e h GLY 119 Ca 0.24 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 3i6e h GLY 119 CO -0.01 0.65 0.04 3.21 0.00 0.00 0.00 176.54 180.43 3i6e h ARG 120 N 0.99 0.15 -0.50 4.80 2.47 -1.07 0.25 114.38 121.47 3i6e h ARG 120 Ca 0.21 -0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.92 3i6e h ARG 120 Cb 0.33 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.60 3i6e h ARG 120 CO -0.00 0.24 0.33 0.82 0.56 0.00 0.00 179.97 181.91 3i6e h ILE 121 N 0.02 1.11 -0.01 2.04 1.08 -1.19 -2.87 117.51 117.69 3i6e h ILE 121 Ca 0.03 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 3i6e h ILE 121 Cb 0.14 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.28 3i6e h ILE 121 CO -0.00 0.12 -0.09 -1.54 -0.69 0.00 0.00 178.15 175.94 3i6e n SER 122 N -4.75 1.57 -2.95 1.72 3.41 -0.51 -4.97 113.62 107.14 3i6e n SER 122 Ca 0.03 -1.39 -0.13 0.00 -0.26 0.00 0.00 58.87 57.11 3i6e n SER 122 Cb 0.03 0.06 0.07 0.00 -0.26 0.00 0.00 64.21 64.11 3i6e n SER 122 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3i6e n ASN 123 N 0.07 -2.93 -3.98 4.04 5.15 0.57 -5.05 115.26 113.14 3i6e n ASN 123 Ca 0.16 -0.52 -0.10 0.00 -0.60 0.00 0.00 54.58 53.52 3i6e n ASN 123 Cb 0.39 -4.26 -0.11 0.00 -0.53 0.00 0.00 39.78 35.26 3i6e n ASN 123 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3i6e s LEU 124 N -5.38 2.21 0.54 1.20 1.43 0.49 -4.86 118.68 114.31 3i6e s LEU 124 Ca 0.09 -0.44 -0.18 0.00 -1.03 0.00 0.00 54.13 52.58 3i6e s LEU 124 Cb -0.01 0.04 -0.06 0.00 0.03 0.00 0.00 46.19 46.19 3i6e s LEU 124 CO 0.59 -0.24 1.04 -2.16 0.23 0.00 0.00 176.35 175.81 3i6e s PRO 125 N -1.27 3.57 0.37 1.29 0.04 -1.22 -0.64 135.00 137.13 3i6e s PRO 125 Ca -0.13 1.24 0.11 0.00 0.04 0.00 0.00 61.00 62.27 3i6e s PRO 125 Cb -0.09 -2.07 0.89 0.00 0.04 0.00 0.00 34.50 33.28 3i6e s PRO 125 CO -0.01 -0.61 1.85 0.28 0.04 0.00 0.00 177.00 178.55 3i6e h VAL 126 N 0.93 0.76 0.00 -0.36 2.07 -1.55 -0.45 116.25 117.65 3i6e h VAL 126 Ca -0.48 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3i6e h VAL 126 Cb 1.22 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3i6e h VAL 126 CO 0.58 0.11 -0.03 4.11 0.02 0.00 0.00 177.57 182.37 3i6e h TRP 127 N 0.61 0.00 0.00 1.57 5.08 -1.87 0.50 115.95 121.84 3i6e h TRP 127 Ca 0.48 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.45 3i6e h TRP 127 Cb 0.90 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.06 3i6e h TRP 127 CO -0.00 0.03 0.00 0.00 -1.28 0.00 0.00 178.44 177.19 3i6e h ALA 128 N 1.97 1.00 -0.07 0.11 0.00 -1.32 -1.31 119.26 119.64 3i6e h ALA 128 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i6e h ALA 128 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3i6e h ALA 128 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3i6e n LEU 129 N -3.02 2.19 -0.54 0.00 4.77 0.15 -3.84 117.00 116.72 3i6e n LEU 129 Ca 0.01 -0.78 0.06 0.00 -0.03 0.00 0.00 56.01 55.27 3i6e n LEU 129 Cb 0.30 -0.03 0.16 0.00 -2.33 0.00 0.00 43.42 41.52 3i6e n LEU 129 CO 0.27 0.39 0.63 0.18 -1.33 0.00 0.00 177.39 177.52 3i6e n LEU 130 N 0.70 3.02 0.00 2.23 4.77 -0.68 -4.95 117.00 122.09 3i6e n LEU 130 Ca 0.17 -2.48 0.00 0.00 -0.03 0.00 0.00 56.01 53.67 3i6e n LEU 130 Cb 0.46 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3i6e n LEU 130 CO 0.16 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 3i6e n GLY 131 N -0.25 1.48 0.00 -0.72 0.00 -1.20 -4.95 105.19 99.55 3i6e n GLY 131 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3i6e n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6e n GLY 132 N -0.91 0.46 3.27 -0.02 0.00 -0.58 -5.00 105.19 102.40 3i6e n GLY 132 Ca 0.00 -2.25 -0.25 0.00 0.00 0.00 0.00 46.02 43.52 3i6e n GLY 132 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i6e s LYS 133 N -0.24 1.32 0.00 1.61 2.20 -1.26 -4.00 119.74 119.36 3i6e s LYS 133 Ca 0.00 -1.03 0.00 0.00 -0.36 0.00 0.00 55.97 54.58 3i6e s LYS 133 Cb 0.00 -1.50 0.00 0.00 -1.51 0.00 0.00 37.83 34.82 3i6e s LYS 133 CO 0.00 0.37 0.14 0.00 -0.36 0.00 0.00 175.35 175.51 3i6e s ARG 135 N -0.49 0.81 0.05 0.00 1.70 -1.23 -5.04 118.95 114.76 3i6e s ARG 135 Ca 0.00 0.22 0.22 0.00 -0.47 0.00 0.00 55.73 55.70 3i6e s ARG 135 Cb 0.00 0.38 -0.20 0.00 -0.57 0.00 0.00 34.95 34.56 3i6e s ARG 135 CO 0.00 -0.21 0.71 -0.25 -1.08 0.00 0.00 175.30 174.46 3i6e n ASP 136 N 1.50 0.34 -4.10 -2.89 8.00 -1.26 -4.83 116.55 113.31 3i6e n ASP 136 Ca -0.19 0.05 -0.08 0.00 0.71 0.00 0.00 54.79 55.28 3i6e n ASP 136 Cb 0.56 1.40 -0.10 0.00 -0.02 0.00 0.00 41.12 42.97 3i6e n ASP 136 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3i6e s THR 137 N -3.43 0.16 -0.06 -3.53 -4.23 -1.26 -0.62 115.64 102.67 3i6e s THR 137 Ca -0.04 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 3i6e s THR 137 Cb 0.13 -1.75 0.02 0.00 1.34 0.00 0.00 72.50 72.24 3i6e s THR 137 CO 0.86 -0.71 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.57 3i6e s ILE 138 N -3.97 0.55 0.18 2.99 1.01 -0.39 -4.93 121.20 116.64 3i6e s ILE 138 Ca 0.15 -0.06 -0.33 0.00 0.00 0.00 0.00 60.65 60.40 3i6e s ILE 138 Cb 0.07 -0.62 -0.13 0.00 0.01 0.00 0.00 42.46 41.79 3i6e s ILE 138 CO -0.04 0.26 1.63 -2.65 0.00 0.00 0.00 174.94 174.13 3i6e n PRO 139 N 4.54 2.36 -3.66 2.79 -0.02 -1.26 -0.38 135.00 139.37 3i6e n PRO 139 Ca -0.17 0.85 -0.38 0.00 -2.02 0.00 0.00 63.50 61.79 3i6e n PRO 139 Cb 0.50 -2.65 -0.06 0.00 -0.02 0.00 0.00 33.50 31.28 3i6e n PRO 139 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i6e s LEU 140 N 1.00 4.44 -0.06 2.45 2.96 -0.62 -1.00 118.68 127.85 3i6e s LEU 140 Ca 0.78 0.76 0.06 0.00 -0.22 0.00 0.00 54.13 55.50 3i6e s LEU 140 Cb -0.62 -2.37 -0.01 0.00 0.50 0.00 0.00 46.19 43.69 3i6e s LEU 140 CO 0.36 0.36 -0.24 -0.55 -1.32 0.00 0.00 176.35 174.95 3i6e s SER 141 N -1.03 3.13 -0.08 3.68 0.15 0.11 -3.80 113.70 115.86 3i6e s SER 141 Ca 0.20 -0.49 0.01 0.00 0.70 0.00 0.00 55.95 56.37 3i6e s SER 141 Cb -0.15 -0.86 -0.03 0.00 -1.71 0.00 0.00 66.02 63.27 3i6e s SER 141 CO 0.09 0.25 -0.10 0.00 1.20 0.00 0.00 173.24 174.69 3i6e s SER 143 N -0.55 7.02 -0.42 0.00 0.01 -1.26 -1.41 113.70 117.09 3i6e s SER 143 Ca 0.08 1.55 0.02 0.00 1.31 0.00 0.00 55.95 58.91 3i6e s SER 143 Cb -0.12 -2.48 0.11 0.00 0.21 0.00 0.00 66.02 63.75 3i6e s SER 143 CO 0.02 -0.15 0.16 -0.63 0.41 0.00 0.00 173.24 173.05 3i6e s ILE 144 N -1.83 2.65 -0.05 1.44 -1.09 -0.15 -4.87 121.20 117.30 3i6e s ILE 144 Ca 0.52 -2.60 0.07 0.00 -2.23 0.00 0.00 60.65 56.41 3i6e s ILE 144 Cb -0.14 -2.88 0.10 0.00 -1.58 0.00 0.00 42.46 37.97 3i6e s ILE 144 CO 0.19 -0.69 1.05 0.00 -1.23 0.00 0.00 174.94 174.26 3i6e n ALA 145 N 3.95 2.09 -2.71 9.38 0.00 -1.26 -0.86 120.51 131.09 3i6e n ALA 145 Ca 0.04 -1.57 -0.41 0.00 0.00 0.00 0.00 53.44 51.49 3i6e n ALA 145 Cb 0.39 -0.45 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 3i6e n ALA 145 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3i6e s ASN 146 N -1.66 7.19 0.63 0.00 3.84 -1.26 -4.91 114.94 118.77 3i6e s ASN 146 Ca 0.11 1.44 0.41 0.00 0.21 0.00 0.00 52.86 55.03 3i6e s ASN 146 Cb 0.10 -2.50 2.15 0.00 -0.55 0.00 0.00 41.25 40.45 3i6e s ASN 146 CO 0.01 -0.20 2.28 1.55 -2.79 0.00 0.00 177.10 177.95 3i6e h PRO 147 N 6.80 0.00 -3.90 0.43 0.13 -2.00 -3.26 132.00 130.19 3i6e h PRO 147 Ca -0.41 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 63.94 3i6e h PRO 147 Cb 1.21 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 3i6e h PRO 147 CO 0.75 0.01 0.22 0.34 -0.23 0.00 0.00 178.00 179.09 3i6e s ASP 148 N -5.37 6.83 0.44 1.44 -1.08 -1.26 -4.92 116.67 112.75 3i6e s ASP 148 Ca -0.04 -2.76 0.14 0.00 -0.52 0.00 0.00 52.55 49.38 3i6e s ASP 148 Cb 0.12 -2.23 1.05 0.00 -1.46 0.00 0.00 42.92 40.41 3i6e s ASP 148 CO 0.45 -0.58 1.98 0.15 0.52 0.00 0.00 175.17 177.70 3i6e h PHE 149 N 7.72 0.41 -0.74 -5.34 3.57 -2.00 -1.93 116.94 118.62 3i6e h PHE 149 Ca 0.12 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.74 3i6e h PHE 149 Cb 1.02 -0.13 -0.08 0.00 2.79 0.00 0.00 35.95 39.55 3i6e h PHE 149 CO 1.02 0.19 0.36 -0.44 -2.23 0.00 0.00 178.31 177.21 3i6e h ASP 150 N 0.38 0.46 -0.79 0.41 3.32 -1.92 0.65 116.42 118.94 3i6e h ASP 150 Ca 0.27 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 3i6e h ASP 150 Cb 0.57 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 3i6e h ASP 150 CO -0.07 0.25 0.43 0.00 -1.72 0.00 0.00 179.24 178.12 3i6e h ALA 151 N 1.46 1.01 0.00 3.45 0.00 -1.75 -2.04 119.26 121.39 3i6e h ALA 151 Ca 0.37 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3i6e h ALA 151 Cb 0.43 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3i6e h ALA 151 CO -0.29 0.52 -0.34 -0.44 0.00 0.00 0.00 179.25 178.70 3i6e h ASP 152 N 1.09 0.00 -0.09 0.00 3.32 -1.11 0.80 116.42 120.43 3i6e h ASP 152 Ca 0.28 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.24 3i6e h ASP 152 Cb 0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3i6e h ASP 152 CO -0.04 0.34 -0.21 0.40 -1.72 0.00 0.00 179.24 178.01 3i6e h ILE 153 N 0.00 1.25 -0.17 0.35 2.04 -0.27 0.48 117.51 121.19 3i6e h ILE 153 Ca -0.00 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 64.63 3i6e h ILE 153 Cb 0.64 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3i6e h ILE 153 CO 0.04 0.38 -0.04 0.00 0.00 0.00 0.00 178.15 178.53 3i6e h ALA 154 N 1.34 0.23 -0.75 1.87 0.00 -0.58 -2.23 119.26 119.14 3i6e h ALA 154 Ca 0.07 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3i6e h ALA 154 Cb 0.61 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3i6e h ALA 154 CO 0.04 -0.00 0.48 1.25 0.00 0.00 0.00 179.25 181.02 3i6e h LEU 155 N 0.03 0.80 -1.60 0.00 5.85 -0.31 -1.73 115.31 118.35 3i6e h LEU 155 Ca 0.04 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3i6e h LEU 155 Cb 0.48 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3i6e h LEU 155 CO 0.02 0.56 -0.13 0.24 -0.34 0.00 0.00 178.44 178.78 3i6e h MET 156 N 0.94 0.09 -0.37 1.25 2.86 0.08 0.21 114.93 119.99 3i6e h MET 156 Ca 0.30 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.88 3i6e h MET 156 Cb -0.01 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3i6e h MET 156 CO -0.10 0.23 0.08 0.93 1.06 0.00 0.00 176.91 179.11 3i6e h GLU 157 N 0.09 0.60 -0.01 1.72 4.39 -0.70 -0.96 114.58 119.72 3i6e h GLU 157 Ca 0.02 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 3i6e h GLU 157 Cb 0.29 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3i6e h GLU 157 CO 0.02 0.65 0.00 -0.09 -1.16 0.00 0.00 179.01 178.43 3i6e h ARG 158 N 0.46 0.01 -0.38 2.33 2.43 -0.85 -2.19 114.38 116.18 3i6e h ARG 158 Ca 0.12 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.35 3i6e h ARG 158 Cb 0.33 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 3i6e h ARG 158 CO 0.00 0.25 0.01 -0.07 -1.51 0.00 0.00 179.97 178.65 3i6e h LEU 159 N -0.23 -0.14 -1.56 3.80 3.38 -0.51 0.17 115.31 120.22 3i6e h LEU 159 Ca 0.00 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3i6e h LEU 159 Cb 0.24 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3i6e h LEU 159 CO 0.00 -0.04 0.16 -0.09 0.09 0.00 0.00 178.44 178.56 3i6e h ARG 160 N 0.11 0.45 -0.12 1.13 2.43 -1.14 -1.04 114.38 116.21 3i6e h ARG 160 Ca 0.19 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.16 3i6e h ARG 160 Cb 0.26 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3i6e h ARG 160 CO -0.31 0.35 -0.60 0.00 -1.51 0.00 0.00 179.97 177.90 3i6e h ALA 161 N 1.72 0.75 -0.00 2.80 0.00 -0.49 -3.02 119.26 121.02 3i6e h ALA 161 Ca 0.12 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3i6e h ALA 161 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3i6e h ALA 161 CO -0.02 0.71 -0.00 -0.25 0.00 0.00 0.00 179.25 179.70 3i6e n ASP 162 N -3.90 0.02 0.00 0.00 8.00 0.47 -4.91 116.55 116.22 3i6e n ASP 162 Ca -0.03 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.85 3i6e n ASP 162 Cb 0.62 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 3i6e n ASP 162 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i6e n GLY 163 N 1.13 0.79 3.68 0.44 0.00 -0.80 -3.01 105.19 107.43 3i6e n GLY 163 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3i6e n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6e s VAL 164 N -3.11 3.12 -1.63 1.61 1.01 -0.82 -3.95 120.40 116.62 3i6e s VAL 164 Ca 0.00 0.48 0.15 0.00 0.00 0.00 0.00 61.98 62.61 3i6e s VAL 164 Cb 0.00 -3.31 0.24 0.00 0.00 0.00 0.00 36.38 33.31 3i6e s VAL 164 CO 0.00 -0.01 1.13 0.61 0.00 0.00 0.00 175.10 176.82 3i6e n GLY 165 N 4.06 1.12 3.02 4.51 0.00 -1.26 -4.45 105.19 112.19 3i6e n GLY 165 Ca 0.16 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 3i6e n GLY 165 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6e s LEU 166 N -1.15 2.00 0.05 0.99 1.43 -1.25 -1.48 118.68 119.26 3i6e s LEU 166 Ca 0.23 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 3i6e s LEU 166 Cb 0.14 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.86 3i6e s LEU 166 CO 0.20 0.11 -0.04 0.27 0.23 0.00 0.00 176.35 177.11 3i6e s ILE 167 N -0.18 0.29 -0.20 -0.59 -4.36 -0.95 -2.13 121.20 113.09 3i6e s ILE 167 Ca 0.03 -1.43 -0.00 0.00 -0.26 0.00 0.00 60.65 58.98 3i6e s ILE 167 Cb -0.04 -1.01 0.05 0.00 1.25 0.00 0.00 42.46 42.72 3i6e s ILE 167 CO -0.00 -0.74 -0.04 -0.75 0.24 0.00 0.00 174.94 173.65 3i6e s LYS 168 N -2.79 1.39 -0.09 0.37 2.20 -0.50 -1.38 119.74 118.94 3i6e s LYS 168 Ca -0.02 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 54.59 3i6e s LYS 168 Cb -0.01 -2.27 -0.03 0.00 -1.51 0.00 0.00 37.83 34.01 3i6e s LYS 168 CO -0.05 -0.54 1.21 -1.17 -0.36 0.00 0.00 175.35 174.45 3i6e s LEU 169 N 1.57 4.25 -0.29 5.43 2.96 0.51 -0.98 118.68 132.13 3i6e s LEU 169 Ca -0.02 1.76 -0.26 0.00 -0.22 0.00 0.00 54.13 55.39 3i6e s LEU 169 Cb -0.17 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 42.97 3i6e s LEU 169 CO -0.07 -0.63 0.92 -0.75 -1.32 0.00 0.00 176.35 174.49 3i6e s LYS 170 N 2.60 4.07 0.49 1.98 2.20 -0.04 -1.30 119.74 129.73 3i6e s LYS 170 Ca 0.55 0.89 0.06 0.00 -0.36 0.00 0.00 55.97 57.11 3i6e s LYS 170 Cb -0.23 -3.71 -0.00 0.00 -1.51 0.00 0.00 37.83 32.38 3i6e s LYS 170 CO 0.19 -0.72 0.28 0.95 -0.36 0.00 0.00 175.35 175.69 3i6e s THR 171 N 3.18 1.87 0.00 3.43 -4.23 -0.36 -4.76 115.64 114.77 3i6e s THR 171 Ca 0.38 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 3i6e s THR 171 Cb -0.14 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.22 3i6e s THR 171 CO 0.12 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 3i6e n GLY 172 N -1.52 1.37 0.15 3.99 0.00 -1.26 -4.39 105.19 103.53 3i6e n GLY 172 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 3i6e n GLY 172 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3i6e h PHE 173 N 0.00 0.00 -2.92 1.61 -5.15 -1.89 -3.46 116.94 105.14 3i6e h PHE 173 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3i6e h PHE 173 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 3i6e h PHE 173 CO 0.00 0.00 0.00 0.54 -2.00 0.00 0.00 178.31 176.85 3i6e n ARG 174 N -2.71 3.96 -1.65 6.09 5.12 -1.26 -5.13 116.66 121.07 3i6e n ARG 174 Ca 0.03 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.66 3i6e n ARG 174 Cb 0.51 0.00 0.12 0.00 -1.16 0.00 0.00 32.46 31.92 3i6e n ARG 174 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 3i6e s ASP 175 N 0.92 3.92 0.19 0.55 1.47 -1.26 -4.97 116.67 117.49 3i6e s ASP 175 Ca 0.00 0.94 -0.09 0.00 1.18 0.00 0.00 52.55 54.58 3i6e s ASP 175 Cb 0.00 -1.50 0.08 0.00 -0.34 0.00 0.00 42.92 41.16 3i6e s ASP 175 CO 0.00 -2.29 1.66 -0.74 0.68 0.00 0.00 175.17 174.48 3i6e h HIS 176 N -1.32 1.19 -0.85 2.11 -0.00 -2.00 -2.88 115.15 111.40 3i6e h HIS 176 Ca -0.49 -0.19 0.13 0.00 -0.00 0.00 0.00 60.37 59.83 3i6e h HIS 176 Cb 1.33 -0.32 -0.06 0.00 -0.00 0.00 0.00 27.41 28.35 3i6e h HIS 176 CO 0.31 1.02 0.55 0.00 -0.00 0.00 0.00 177.93 179.82 3i6e h ALA 177 N 1.02 1.85 -0.30 5.26 0.00 -1.99 0.32 119.26 125.41 3i6e h ALA 177 Ca 0.19 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3i6e h ALA 177 Cb 0.51 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3i6e h ALA 177 CO 0.02 -0.06 -0.06 0.35 0.00 0.00 0.00 179.25 179.50 3i6e h PHE 178 N 0.67 0.51 -0.09 0.00 3.57 -1.88 0.11 116.94 119.82 3i6e h PHE 178 Ca 0.42 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.79 3i6e h PHE 178 Cb 0.67 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.27 3i6e h PHE 178 CO -0.00 0.54 -0.22 -0.44 -2.23 0.00 0.00 178.31 175.96 3i6e h ASP 179 N 0.46 0.35 -0.58 0.41 3.32 -1.00 -2.99 116.42 116.38 3i6e h ASP 179 Ca 0.09 -0.59 -0.00 0.00 0.02 0.00 0.00 57.03 56.55 3i6e h ASP 179 Cb 0.40 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 3i6e h ASP 179 CO 0.02 0.87 0.35 0.40 -1.72 0.00 0.00 179.24 179.16 3i6e h ILE 180 N -0.16 1.17 -0.11 0.35 1.08 -1.06 -2.35 117.51 116.43 3i6e h ILE 180 Ca -0.00 -0.39 0.04 0.00 -0.39 0.00 0.00 64.86 64.12 3i6e h ILE 180 Cb 0.83 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 34.90 3i6e h ILE 180 CO 0.05 0.18 -0.17 -0.03 -0.69 0.00 0.00 178.15 177.48 3i6e h MET 181 N 0.79 -0.22 -0.65 2.37 4.05 -0.83 -1.68 114.93 118.75 3i6e h MET 181 Ca 0.21 0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.59 3i6e h MET 181 Cb -0.02 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.80 3i6e h MET 181 CO -0.04 -0.15 0.21 0.00 0.23 0.00 0.00 176.91 177.17 3i6e h ARG 182 N -0.23 1.01 -0.75 0.39 3.08 -1.40 -1.91 114.38 114.57 3i6e h ARG 182 Ca 0.09 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 3i6e h ARG 182 Cb 0.36 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 3i6e h ARG 182 CO -0.25 0.88 0.37 -0.07 -1.07 0.00 0.00 179.97 179.83 3i6e h LEU 183 N 0.94 0.97 -0.34 3.04 3.38 -1.20 0.37 115.31 122.47 3i6e h LEU 183 Ca 0.21 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3i6e h LEU 183 Cb 0.29 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3i6e h LEU 183 CO -0.01 0.81 0.03 -0.33 0.09 0.00 0.00 178.44 179.03 3i6e h GLU 184 N 1.06 0.58 -0.45 1.13 5.08 -1.00 -2.15 114.58 118.83 3i6e h GLU 184 Ca 0.26 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 3i6e h GLU 184 Cb 0.09 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3i6e h GLU 184 CO -0.04 0.68 -0.05 1.25 -1.00 0.00 0.00 179.01 179.85 3i6e h LEU 185 N 0.39 0.83 -0.51 1.33 6.46 -1.03 -2.54 115.31 120.24 3i6e h LEU 185 Ca 0.10 -0.34 -0.01 0.00 -0.12 0.00 0.00 57.88 57.52 3i6e h LEU 185 Cb 0.40 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 3i6e h LEU 185 CO 0.01 0.97 0.29 0.40 -0.62 0.00 0.00 178.44 179.49 3i6e h ILE 186 N 0.67 1.17 -0.19 4.05 2.04 -0.90 0.34 117.51 124.70 3i6e h ILE 186 Ca 0.12 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 3i6e h ILE 186 Cb 0.58 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3i6e h ILE 186 CO 0.03 0.18 0.06 0.00 0.00 0.00 0.00 178.15 178.42 3i6e h ALA 187 N 1.13 1.75 0.00 1.87 0.00 -1.29 0.24 119.26 122.96 3i6e h ALA 187 Ca 0.18 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3i6e h ALA 187 Cb 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3i6e h ALA 187 CO -0.03 0.20 -0.78 -0.09 0.00 0.00 0.00 179.25 178.55 3i6e h ARG 188 N 0.26 0.00 0.00 0.00 2.43 -0.99 -3.36 114.38 112.72 3i6e h ARG 188 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3i6e h ARG 188 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3i6e h ARG 188 CO -0.01 0.63 -0.57 -0.25 -1.51 0.00 0.00 179.97 178.26 3i6e n ASP 189 N -4.54 0.71 -2.88 -3.80 8.00 0.12 -4.42 116.55 109.73 3i6e n ASP 189 Ca -0.19 0.16 -0.13 0.00 0.71 0.00 0.00 54.79 55.33 3i6e n ASP 189 Cb 0.48 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 3i6e n ASP 189 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3i6e n PHE 190 N -2.12 0.75 0.26 1.24 3.72 0.82 -4.91 117.46 117.21 3i6e n PHE 190 Ca 0.03 -3.22 0.03 0.00 -0.05 0.00 0.00 57.45 54.24 3i6e n PHE 190 Cb 0.44 -0.40 0.15 0.00 -0.94 0.00 0.00 39.48 38.73 3i6e n PHE 190 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3i6e n PRO 191 N 0.08 0.04 -0.13 -1.08 -0.04 -1.14 -2.78 135.00 129.94 3i6e n PRO 191 Ca 0.16 0.32 -0.11 0.00 -0.04 0.00 0.00 63.50 63.83 3i6e n PRO 191 Cb 0.75 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.69 3i6e n PRO 191 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3i6e h GLU 192 N 0.00 0.77 -7.01 0.54 3.07 -1.91 -3.45 114.58 106.59 3i6e h GLU 192 Ca 0.00 -0.30 -0.49 0.00 -0.50 0.00 0.00 59.36 58.07 3i6e h GLU 192 Cb 0.09 -0.04 0.04 0.00 -0.84 0.00 0.00 28.75 28.00 3i6e h GLU 192 CO 0.00 0.91 0.43 -0.06 -1.40 0.00 0.00 179.01 178.89 3i6e s PHE 193 N -4.76 3.04 -0.01 4.33 0.08 -1.12 -4.94 117.98 114.60 3i6e s PHE 193 Ca -0.12 1.59 -0.17 0.00 0.12 0.00 0.00 56.93 58.34 3i6e s PHE 193 Cb 0.10 -3.19 -0.06 0.00 -0.57 0.00 0.00 43.02 39.30 3i6e s PHE 193 CO 0.82 -1.00 0.48 1.03 -0.10 0.00 0.00 175.22 176.45 3i6e s ARG 194 N -2.81 4.12 -0.12 0.44 0.52 -0.55 -4.97 118.95 115.58 3i6e s ARG 194 Ca 0.63 0.53 -0.01 0.00 -0.52 0.00 0.00 55.73 56.36 3i6e s ARG 194 Cb -0.22 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 31.94 3i6e s ARG 194 CO 0.27 0.53 -0.10 0.08 0.02 0.00 0.00 175.30 176.10 3i6e s VAL 195 N -0.61 3.39 0.31 3.52 1.01 -1.26 -2.24 120.40 124.52 3i6e s VAL 195 Ca 0.26 -0.55 0.10 0.00 0.00 0.00 0.00 61.98 61.78 3i6e s VAL 195 Cb -0.17 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 3i6e s VAL 195 CO 0.14 0.53 -0.03 -0.13 0.00 0.00 0.00 175.10 175.62 3i6e s ARG 196 N 0.06 2.08 -0.01 2.72 3.00 -0.48 0.42 118.95 126.73 3i6e s ARG 196 Ca -0.03 -1.66 0.03 0.00 0.00 0.00 0.00 55.73 54.07 3i6e s ARG 196 Cb -0.14 -1.97 -0.00 0.00 0.00 0.00 0.00 34.95 32.83 3i6e s ARG 196 CO 0.04 0.23 -0.10 0.08 0.00 0.00 0.00 175.30 175.55 3i6e s VAL 197 N -2.46 0.80 -0.10 3.52 1.01 -0.26 -0.36 120.40 122.55 3i6e s VAL 197 Ca 0.33 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 3i6e s VAL 197 Cb -0.03 -0.69 0.04 0.00 0.00 0.00 0.00 36.38 35.71 3i6e s VAL 197 CO 0.19 0.23 0.03 -0.62 0.00 0.00 0.00 175.10 174.93 3i6e s ASP 198 N -0.12 1.85 0.00 3.32 -1.08 -0.42 0.17 116.67 120.39 3i6e s ASP 198 Ca 0.02 -0.26 0.26 0.00 -0.52 0.00 0.00 52.55 52.05 3i6e s ASP 198 Cb -0.05 -0.39 0.73 0.00 -1.46 0.00 0.00 42.92 41.74 3i6e s ASP 198 CO -0.00 -0.25 1.57 -1.22 0.52 0.00 0.00 175.17 175.79 3i6e n TYR 199 N 5.17 0.00 -3.97 -5.34 4.02 -0.92 -1.22 117.16 114.90 3i6e n TYR 199 Ca -0.07 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.55 3i6e n TYR 199 Cb 0.49 -0.30 -0.01 0.00 -0.02 0.00 0.00 39.34 39.50 3i6e n TYR 199 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3i6e n ASN 200 N -1.44 -1.37 -2.93 7.72 4.13 -1.23 -1.19 115.26 118.95 3i6e n ASN 200 Ca 0.07 -0.96 -0.15 0.00 1.68 0.00 0.00 54.58 55.22 3i6e n ASN 200 Cb 0.33 -3.21 -0.01 0.00 -1.54 0.00 0.00 39.78 35.36 3i6e n ASN 200 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i6e n GLN 201 N -4.41 -2.71 -0.04 3.52 10.64 0.19 -4.86 117.38 119.70 3i6e n GLN 201 Ca -0.21 0.34 0.12 0.00 -1.83 0.00 0.00 57.00 55.43 3i6e n GLN 201 Cb 0.64 -4.95 0.30 0.00 -0.86 0.00 0.00 30.24 25.37 3i6e n GLN 201 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3i6e n GLY 202 N -0.86 0.68 3.85 2.61 0.00 -0.33 -3.63 105.19 107.52 3i6e n GLY 202 Ca -0.04 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 3i6e n GLY 202 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6e s LEU 203 N -1.85 4.38 0.50 0.99 1.43 -0.36 -4.95 118.68 118.81 3i6e s LEU 203 Ca 0.34 1.00 -0.06 0.00 -1.03 0.00 0.00 54.13 54.38 3i6e s LEU 203 Cb 0.20 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 3i6e s LEU 203 CO 0.31 0.17 0.82 -1.61 0.23 0.00 0.00 176.35 176.26 3i6e s GLU 204 N -1.76 3.53 0.17 1.70 0.41 -1.26 -4.48 118.70 117.00 3i6e s GLU 204 Ca 0.34 0.26 -0.19 0.00 -0.41 0.00 0.00 54.97 54.97 3i6e s GLU 204 Cb -0.15 -2.34 0.09 0.00 -1.78 0.00 0.00 34.13 29.96 3i6e s GLU 204 CO 0.18 -0.27 1.64 0.82 -0.49 0.00 0.00 175.26 177.15 3i6e h ILE 205 N 0.14 0.46 0.00 -1.63 2.04 -1.98 -1.37 117.51 115.18 3i6e h ILE 205 Ca -0.47 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3i6e h ILE 205 Cb 1.20 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3i6e h ILE 205 CO 0.62 0.00 0.00 -0.90 0.00 0.00 0.00 178.15 177.87 3i6e n ASP 206 N -5.36 0.00 0.00 1.72 5.68 -1.26 -2.99 116.55 114.34 3i6e n ASP 206 Ca 0.02 -0.13 0.00 0.00 -0.50 0.00 0.00 54.79 54.18 3i6e n ASP 206 Cb 0.27 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 3i6e n ASP 206 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3i6e n GLU 207 N -1.13 4.98 0.09 0.11 0.28 -0.67 -4.88 120.64 119.42 3i6e n GLU 207 Ca 0.07 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.93 3i6e n GLU 207 Cb 0.06 -0.37 -0.07 0.00 1.43 0.00 0.00 31.44 32.49 3i6e n GLU 207 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3i6e h ALA 208 N 0.00 -0.72 0.15 -1.84 0.00 -1.18 -2.84 119.26 112.82 3i6e h ALA 208 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3i6e h ALA 208 Cb 0.00 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3i6e h ALA 208 CO 0.00 -0.98 -0.16 0.28 0.00 0.00 0.00 179.25 178.39 3i6e h VAL 209 N -0.62 0.64 -0.74 0.00 2.07 -1.89 -1.75 116.25 113.96 3i6e h VAL 209 Ca 0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3i6e h VAL 209 Cb 0.67 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3i6e h VAL 209 CO -0.28 0.00 0.38 1.55 0.02 0.00 0.00 177.57 179.24 3i6e h PRO 210 N -0.34 1.05 -0.38 1.57 0.13 -1.91 -1.30 132.00 130.82 3i6e h PRO 210 Ca 0.01 -0.14 -0.10 0.00 -0.87 0.00 0.00 66.00 64.90 3i6e h PRO 210 Cb 0.33 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.26 3i6e h PRO 210 CO -0.05 0.81 -0.13 0.00 -0.23 0.00 0.00 178.00 178.39 3i6e h ARG 211 N 1.03 0.76 -0.56 0.86 3.08 -1.48 -2.35 114.38 115.73 3i6e h ARG 211 Ca 0.26 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3i6e h ARG 211 Cb 0.08 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3i6e h ARG 211 CO -0.04 0.92 0.13 0.28 -1.07 0.00 0.00 179.97 180.20 3i6e h VAL 212 N 0.56 1.25 -0.78 2.04 2.07 -1.21 -2.04 116.25 118.14 3i6e h VAL 212 Ca 0.09 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 3i6e h VAL 212 Cb 0.67 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3i6e h VAL 212 CO 0.05 0.33 0.34 -0.07 0.02 0.00 0.00 177.57 178.23 3i6e h LEU 213 N 0.79 1.04 0.38 2.57 3.38 -1.20 -0.49 115.31 121.78 3i6e h LEU 213 Ca 0.17 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3i6e h LEU 213 Cb 0.35 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3i6e h LEU 213 CO 0.00 0.90 -0.18 -0.78 0.09 0.00 0.00 178.44 178.47 3i6e h ASP 214 N 1.12 -0.43 -0.57 -0.43 1.82 -1.21 -3.02 116.42 113.70 3i6e h ASP 214 Ca 0.26 -0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.82 3i6e h ASP 214 Cb 0.16 0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.26 3i6e h ASP 214 CO -0.03 -0.18 0.32 0.58 -1.61 0.00 0.00 179.24 178.32 3i6e h VAL 215 N -0.68 1.18 -0.24 2.25 2.07 -1.30 -2.12 116.25 117.40 3i6e h VAL 215 Ca -0.05 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.09 3i6e h VAL 215 Cb 0.48 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3i6e h VAL 215 CO 0.09 0.20 0.18 0.00 0.02 0.00 0.00 177.57 178.05 3i6e h ALA 216 N 1.54 2.22 -0.09 1.67 0.00 -0.97 -0.64 119.26 123.00 3i6e h ALA 216 Ca 0.21 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3i6e h ALA 216 Cb 0.02 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3i6e h ALA 216 CO -0.03 -0.30 0.11 1.96 0.00 0.00 0.00 179.25 180.98 3i6e h GLN 217 N 0.00 0.00 -0.00 0.00 1.08 -1.27 0.18 115.11 115.10 3i6e h GLN 217 Ca 0.12 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 3i6e h GLN 217 Cb 0.47 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 3i6e h GLN 217 CO -0.00 0.00 -0.05 1.19 -0.95 0.00 0.00 178.83 179.02 3i6e n PHE 218 N -3.75 0.00 -3.63 2.96 3.72 -0.25 -4.96 117.46 111.55 3i6e n PHE 218 Ca -0.01 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.14 3i6e n PHE 218 Cb 0.20 -0.25 0.04 0.00 -0.94 0.00 0.00 39.48 38.53 3i6e n PHE 218 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3i6e n GLN 219 N -1.19 -2.71 -1.33 -1.08 6.02 0.62 -4.98 117.38 112.74 3i6e n GLN 219 Ca 0.14 0.57 -0.30 0.00 -0.01 0.00 0.00 57.00 57.40 3i6e n GLN 219 Cb 0.25 -4.78 0.10 0.00 1.02 0.00 0.00 30.24 26.83 3i6e n GLN 219 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3i6e s PRO 220 N -5.75 2.04 0.40 -1.09 0.04 -1.26 -4.90 135.00 124.48 3i6e s PRO 220 Ca 0.29 0.96 0.10 0.00 0.04 0.00 0.00 61.00 62.39 3i6e s PRO 220 Cb -0.08 -1.89 0.90 0.00 0.04 0.00 0.00 34.50 33.47 3i6e s PRO 220 CO 0.83 -1.73 1.95 -0.44 0.04 0.00 0.00 177.00 177.65 3i6e h ASP 221 N -1.19 0.51 -4.75 6.66 3.32 -0.40 -3.44 116.42 117.13 3i6e h ASP 221 Ca -0.46 0.01 0.15 0.00 0.02 0.00 0.00 57.03 56.76 3i6e h ASP 221 Cb 1.25 -0.10 -0.14 0.00 0.22 0.00 0.00 39.33 40.56 3i6e h ASP 221 CO 0.54 0.31 0.56 0.72 -1.72 0.00 0.00 179.24 179.65 3i6e s PHE 222 N -5.53 -0.26 -0.18 4.55 -0.12 -1.26 -4.21 117.98 110.96 3i6e s PHE 222 Ca -0.09 0.11 0.01 0.00 -0.05 0.00 0.00 56.93 56.91 3i6e s PHE 222 Cb 0.20 0.55 0.03 0.00 -0.63 0.00 0.00 43.02 43.17 3i6e s PHE 222 CO 0.76 -0.53 -0.16 0.42 -0.05 0.00 0.00 175.22 175.67 3i6e s ILE 223 N -3.01 1.84 0.14 -4.49 1.01 0.01 -1.10 121.20 115.60 3i6e s ILE 223 Ca 0.07 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 59.67 3i6e s ILE 223 Cb -0.01 -1.74 -0.07 0.00 0.01 0.00 0.00 42.46 40.65 3i6e s ILE 223 CO -0.06 0.41 0.56 -1.61 0.00 0.00 0.00 174.94 174.24 3i6e s GLU 224 N 1.36 4.02 0.00 2.79 2.02 0.13 -1.15 118.70 127.86 3i6e s GLU 224 Ca 0.03 0.54 0.00 0.00 0.02 0.00 0.00 54.97 55.56 3i6e s GLU 224 Cb -0.14 -2.96 0.00 0.00 0.10 0.00 0.00 34.13 31.13 3i6e s GLU 224 CO -0.11 0.49 0.00 0.94 0.02 0.00 0.00 175.26 176.60 3i6e n GLN 225 N 0.91 0.00 0.05 1.61 -0.06 -0.16 -2.17 117.38 117.56 3i6e n GLN 225 Ca -0.06 0.00 0.02 0.00 -2.00 0.00 0.00 57.00 54.96 3i6e n GLN 225 Cb 0.52 0.00 0.37 0.00 -4.06 0.00 0.00 30.24 27.07 3i6e n GLN 225 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 3i6e h PRO 226 N 0.31 0.42 -5.38 3.69 0.11 -1.87 0.53 132.00 129.81 3i6e h PRO 226 Ca 0.00 -0.07 -0.65 0.00 0.11 0.00 0.00 66.00 65.39 3i6e h PRO 226 Cb 0.00 -0.07 -0.13 0.00 0.11 0.00 0.00 31.00 30.91 3i6e h PRO 226 CO 0.00 0.42 -0.55 0.14 -0.21 0.00 0.00 178.00 177.80 3i6e s VAL 227 N -5.04 1.48 0.52 3.15 -7.23 -1.26 -1.22 120.40 110.81 3i6e s VAL 227 Ca -0.07 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 57.89 3i6e s VAL 227 Cb 0.16 -2.53 -0.07 0.00 0.56 0.00 0.00 36.38 34.50 3i6e s VAL 227 CO 0.74 0.00 0.98 0.54 -0.31 0.00 0.00 175.10 177.05 3i6e n ARG 228 N -1.11 1.12 -0.29 4.82 5.12 -1.24 -4.28 116.66 120.81 3i6e n ARG 228 Ca -0.12 0.42 0.10 0.00 -1.93 0.00 0.00 57.85 56.32 3i6e n ARG 228 Cb 0.67 -2.12 0.26 0.00 -1.16 0.00 0.00 32.46 30.11 3i6e n ARG 228 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i6e h ALA 229 N 0.97 1.24 0.00 7.54 0.00 -1.89 -1.02 119.26 126.10 3i6e h ALA 229 Ca -0.47 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3i6e h ALA 229 Cb 1.35 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3i6e h ALA 229 CO 0.53 -0.35 0.00 -2.39 0.00 0.00 0.00 179.25 177.04 3i6e n HIS 230 N -5.10 0.00 -1.39 0.00 1.44 -1.26 -4.25 115.22 104.65 3i6e n HIS 230 Ca 0.19 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.52 3i6e n HIS 230 Cb 0.58 -0.43 -0.03 0.00 0.12 0.00 0.00 29.99 30.23 3i6e n HIS 230 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3i6e n HIS 231 N -1.43 2.31 -0.28 -1.40 8.25 -0.39 -4.65 115.22 117.63 3i6e n HIS 231 Ca 0.06 -2.97 -0.05 0.00 -0.26 0.00 0.00 57.72 54.50 3i6e n HIS 231 Cb 0.18 -2.35 0.07 0.00 1.12 0.00 0.00 29.99 29.01 3i6e n HIS 231 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3i6e h PHE 232 N 4.82 0.99 -0.24 4.41 -1.00 -1.84 -0.55 116.94 123.52 3i6e h PHE 232 Ca 0.81 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 61.59 3i6e h PHE 232 Cb 0.35 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 39.57 3i6e h PHE 232 CO 1.84 0.64 0.09 0.93 -1.61 0.00 0.00 178.31 180.20 3i6e h GLU 233 N 1.05 0.35 -0.69 1.51 5.08 -1.95 -1.36 114.58 118.58 3i6e h GLU 233 Ca 0.28 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3i6e h GLU 233 Cb -0.09 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 3i6e h GLU 233 CO -0.06 0.40 0.15 1.25 -1.00 0.00 0.00 179.01 179.76 3i6e h LEU 234 N 0.23 1.07 -0.67 1.33 5.85 -1.90 -1.73 115.31 119.49 3i6e h LEU 234 Ca 0.08 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3i6e h LEU 234 Cb 0.18 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3i6e h LEU 234 CO -0.01 1.03 0.41 0.24 -0.34 0.00 0.00 178.44 179.77 3i6e h MET 235 N 1.05 0.90 -0.70 1.25 2.86 -0.91 0.14 114.93 119.53 3i6e h MET 235 Ca 0.22 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 3i6e h MET 235 Cb 0.39 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 3i6e h MET 235 CO 0.01 0.64 0.27 0.00 1.06 0.00 0.00 176.91 178.89 3i6e h ALA 236 N 1.21 1.15 -0.35 6.32 0.00 -0.96 0.37 119.26 127.01 3i6e h ALA 236 Ca 0.24 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3i6e h ALA 236 Cb -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3i6e h ALA 236 CO -0.05 0.61 -0.03 0.00 0.00 0.00 0.00 179.25 179.79 3i6e h ARG 237 N 1.02 0.64 -0.96 0.00 3.08 -0.59 -2.79 114.38 114.78 3i6e h ARG 237 Ca 0.24 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 60.08 3i6e h ARG 237 Cb 0.21 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 3i6e h ARG 237 CO -0.02 0.77 0.64 -0.07 -1.07 0.00 0.00 179.97 180.22 3i6e h LEU 238 N 0.44 1.10 -1.40 3.04 3.38 -0.31 -1.86 115.31 119.69 3i6e h LEU 238 Ca 0.10 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.09 3i6e h LEU 238 Cb 0.50 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3i6e h LEU 238 CO 0.02 0.79 0.45 -0.09 0.09 0.00 0.00 178.44 179.70 3i6e h ARG 239 N 1.29 0.73 0.00 1.13 2.43 -0.70 -1.91 114.38 117.36 3i6e h ARG 239 Ca 0.36 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3i6e h ARG 239 Cb -0.13 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.25 3i6e h ARG 239 CO -0.08 0.48 0.00 0.41 -1.51 0.00 0.00 179.97 179.27 3i6e n GLY 240 N -1.45 -1.27 0.16 2.80 0.00 -0.71 -3.99 105.19 100.74 3i6e n GLY 240 Ca 0.09 -0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.04 3i6e n GLY 240 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i6e h LEU 241 N 0.00 0.00 -8.48 0.99 3.38 -1.27 -3.48 115.31 106.45 3i6e h LEU 241 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 3i6e h LEU 241 Cb 0.31 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.96 3i6e h LEU 241 CO 0.00 0.35 -0.27 0.42 0.09 0.00 0.00 178.44 179.03 3i6e s THR 242 N -3.04 0.00 -1.81 0.22 -4.23 -1.26 -5.04 115.64 100.48 3i6e s THR 242 Ca 0.05 -1.64 0.22 0.00 -1.18 0.00 0.00 61.69 59.13 3i6e s THR 242 Cb 0.07 -2.49 0.66 0.00 1.34 0.00 0.00 72.50 72.08 3i6e s THR 242 CO 0.73 0.00 1.56 0.47 -0.54 0.00 0.00 174.62 176.83 3i6e n ASP 243 N -0.94 4.10 -4.73 3.99 8.00 -1.26 -4.90 116.55 120.80 3i6e n ASP 243 Ca 0.01 -2.08 -0.40 0.00 0.71 0.00 0.00 54.79 53.02 3i6e n ASP 243 Cb 0.62 -0.51 -0.05 0.00 -0.02 0.00 0.00 41.12 41.17 3i6e n ASP 243 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i6e s VAL 244 N -1.15 4.78 0.26 2.53 1.01 -1.26 -4.99 120.40 121.57 3i6e s VAL 244 Ca 0.49 1.70 -0.31 0.00 0.00 0.00 0.00 61.98 63.87 3i6e s VAL 244 Cb 0.27 -4.15 -0.12 0.00 0.00 0.00 0.00 36.38 32.37 3i6e s VAL 244 CO 0.32 0.31 1.52 -2.65 0.00 0.00 0.00 175.10 174.60 3i6e n PRO 245 N 3.12 2.40 -3.81 2.72 -0.02 -1.26 -4.84 135.00 133.31 3i6e n PRO 245 Ca -0.01 0.86 -0.36 0.00 -2.02 0.00 0.00 63.50 61.97 3i6e n PRO 245 Cb 0.50 -2.59 -0.13 0.00 -0.02 0.00 0.00 33.50 31.26 3i6e n PRO 245 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i6e s LEU 246 N -0.08 3.24 -0.11 2.45 2.96 -1.26 -0.81 118.68 125.07 3i6e s LEU 246 Ca 0.67 -0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 54.26 3i6e s LEU 246 Cb -0.57 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 3i6e s LEU 246 CO 0.48 -0.03 0.06 -0.76 -1.32 0.00 0.00 176.35 174.78 3i6e s LEU 247 N 1.56 3.91 0.03 -0.68 1.43 -0.30 -0.44 118.68 124.19 3i6e s LEU 247 Ca 0.06 0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 53.24 3i6e s LEU 247 Cb -0.15 -1.93 -0.06 0.00 0.03 0.00 0.00 46.19 44.08 3i6e s LEU 247 CO 0.01 0.36 0.51 0.00 0.23 0.00 0.00 176.35 177.47 3i6e s ALA 248 N -0.77 3.60 0.00 4.21 0.00 -0.32 -0.99 121.76 127.49 3i6e s ALA 248 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.02 3i6e s ALA 248 Cb -0.12 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.43 3i6e s ALA 248 CO 0.03 0.37 0.00 -3.47 0.00 0.00 0.00 175.76 172.68 3i6e n ASP 249 N 2.02 0.00 0.23 0.00 -0.08 -1.26 -0.84 116.55 116.62 3i6e n ASP 249 Ca -0.11 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.34 3i6e n ASP 249 Cb 0.51 0.00 0.86 0.00 2.34 0.00 0.00 41.12 44.84 3i6e n ASP 249 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3i6e h GLU 250 N 0.00 0.00 0.00 -0.67 3.07 -1.93 -0.50 114.58 114.55 3i6e h GLU 250 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3i6e h GLU 250 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3i6e h GLU 250 CO 0.00 0.00 0.00 0.77 -1.40 0.00 0.00 179.01 178.38 3i6e h SER 251 N 0.00 0.00 -3.32 1.42 0.02 -1.89 -3.43 113.55 106.35 3i6e h SER 251 Ca 0.06 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.48 3i6e h SER 251 Cb 0.39 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.54 3i6e h SER 251 CO -0.00 0.00 -0.78 -0.69 -1.14 0.00 0.00 176.83 174.22 3i6e s VAL 252 N -3.39 0.88 -0.11 2.27 1.01 -0.20 -4.90 120.40 115.97 3i6e s VAL 252 Ca 0.04 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 3i6e s VAL 252 Cb 0.09 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3i6e s VAL 252 CO 0.48 0.05 -0.19 -1.22 0.00 0.00 0.00 175.10 174.23 3i6e n TYR 253 N 4.95 0.23 -3.74 5.22 4.02 -1.26 -4.84 117.16 121.74 3i6e n TYR 253 Ca -0.10 0.10 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 3i6e n TYR 253 Cb 0.48 -0.42 0.00 0.00 -0.02 0.00 0.00 39.34 39.38 3i6e n TYR 253 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i6e n GLY 254 N 1.54 4.97 0.38 2.72 0.00 -1.26 -3.05 105.19 110.50 3i6e n GLY 254 Ca -0.07 -2.03 0.14 0.00 0.00 0.00 0.00 46.02 44.06 3i6e n GLY 254 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i6e h PRO 255 N 0.00 0.59 0.06 1.61 0.11 -1.92 -0.88 132.00 131.57 3i6e h PRO 255 Ca 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 3i6e h PRO 255 Cb 0.00 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 30.98 3i6e h PRO 255 CO 0.00 0.39 -0.03 0.93 -0.21 0.00 0.00 178.00 179.08 3i6e h GLU 256 N 0.61 -0.08 -0.33 1.05 3.07 -1.98 -1.32 114.58 115.61 3i6e h GLU 256 Ca 0.48 0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 59.27 3i6e h GLU 256 Cb 0.89 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.80 3i6e h GLU 256 CO -0.22 0.03 -0.09 -0.44 -1.40 0.00 0.00 179.01 176.89 3i6e h ASP 257 N -0.17 0.53 -0.61 1.42 3.32 -1.76 -2.69 116.42 116.45 3i6e h ASP 257 Ca -0.01 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 3i6e h ASP 257 Cb 0.15 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3i6e h ASP 257 CO 0.01 0.66 0.28 -0.03 -1.72 0.00 0.00 179.24 178.45 3i6e h MET 258 N 0.51 0.89 -0.65 3.56 4.05 -0.78 0.31 114.93 122.83 3i6e h MET 258 Ca 0.10 -0.14 0.01 0.00 -0.28 0.00 0.00 59.70 59.39 3i6e h MET 258 Cb 0.47 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 31.07 3i6e h MET 258 CO 0.03 0.72 0.42 0.28 0.23 0.00 0.00 176.91 178.59 3i6e h VAL 259 N 0.84 1.15 -0.24 -5.77 2.07 -1.06 0.36 116.25 113.60 3i6e h VAL 259 Ca 0.21 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 3i6e h VAL 259 Cb 0.14 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3i6e h VAL 259 CO -0.02 0.16 -0.07 -0.09 0.02 0.00 0.00 177.57 177.57 3i6e h ARG 260 N 0.86 0.47 -0.93 1.57 2.43 -1.10 -1.92 114.38 115.76 3i6e h ARG 260 Ca 0.24 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3i6e h ARG 260 Cb -0.07 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.41 3i6e h ARG 260 CO -0.06 0.71 0.58 0.00 -1.51 0.00 0.00 179.97 179.68 3i6e h ALA 261 N 0.75 1.26 -0.39 2.80 0.00 -0.11 -1.26 119.26 122.31 3i6e h ALA 261 Ca 0.06 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3i6e h ALA 261 Cb 0.54 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3i6e h ALA 261 CO 0.03 0.65 -0.28 0.00 0.00 0.00 0.00 179.25 179.64 3i6e h ALA 262 N 1.35 0.57 -0.39 0.00 0.00 -0.88 -2.03 119.26 117.88 3i6e h ALA 262 Ca 0.34 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3i6e h ALA 262 Cb -0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3i6e h ALA 262 CO -0.07 0.59 0.21 1.25 0.00 0.00 0.00 179.25 181.24 3i6e h HIS 263 N 0.70 0.54 -0.00 0.00 6.17 -0.96 -2.70 115.15 118.90 3i6e h HIS 263 Ca 0.08 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.14 3i6e h HIS 263 Cb 0.86 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 30.62 3i6e h HIS 263 CO 0.06 0.43 -0.01 0.39 0.71 0.00 0.00 177.93 179.51 3i6e n GLU 264 N -4.73 0.97 -3.75 5.26 1.02 -0.51 -4.94 120.64 113.96 3i6e n GLU 264 Ca -0.00 -0.17 -0.25 0.00 -0.02 0.00 0.00 57.16 56.73 3i6e n GLU 264 Cb 0.09 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.05 3i6e n GLU 264 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i6e n GLY 265 N 1.10 -0.41 0.04 0.62 0.00 -0.79 -4.81 105.19 100.95 3i6e n GLY 265 Ca 0.21 0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.53 3i6e n GLY 265 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i6e n ILE 266 N -4.51 0.00 -3.92 -0.61 -5.35 -1.07 -4.48 119.36 99.43 3i6e n ILE 266 Ca -0.13 -0.02 -0.09 0.00 -0.27 0.00 0.00 62.75 62.24 3i6e n ILE 266 Cb 0.60 -0.30 -0.02 0.00 -1.74 0.00 0.00 39.64 38.19 3i6e n ILE 266 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i6e n ASP 268 N -0.89 0.79 -3.55 0.00 8.00 0.41 -4.98 116.55 116.33 3i6e n ASP 268 Ca -0.04 -0.67 -0.01 0.00 0.71 0.00 0.00 54.79 54.78 3i6e n ASP 268 Cb 0.60 1.08 0.01 0.00 -0.02 0.00 0.00 41.12 42.79 3i6e n ASP 268 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3i6e s GLY 269 N -2.30 -0.05 0.02 0.44 0.00 -1.18 -1.56 107.32 102.69 3i6e s GLY 269 Ca 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 44.72 44.69 3i6e s GLY 269 CO 0.49 2.49 -0.03 0.54 0.00 0.00 0.00 173.10 176.59 3i6e s VAL 270 N -2.32 0.19 -0.32 1.40 0.11 -0.33 -1.18 120.40 117.94 3i6e s VAL 270 Ca 0.21 -0.71 -0.18 0.00 -2.93 0.00 0.00 61.98 58.38 3i6e s VAL 270 Cb -0.01 -0.28 -0.01 0.00 -1.53 0.00 0.00 36.38 34.55 3i6e s VAL 270 CO 0.02 -0.34 0.49 -0.55 -3.33 0.00 0.00 175.10 171.40 3i6e s SER 271 N -1.10 6.32 -0.19 3.54 0.15 -0.02 -1.31 113.70 121.10 3i6e s SER 271 Ca -0.10 0.09 -0.13 0.00 0.70 0.00 0.00 55.95 56.51 3i6e s SER 271 Cb -0.07 -2.26 -0.05 0.00 -1.71 0.00 0.00 66.02 61.93 3i6e s SER 271 CO -0.00 -0.40 0.26 -0.63 1.20 0.00 0.00 173.24 173.66 3i6e s ILE 272 N 2.32 5.31 -0.03 6.45 1.01 0.23 -4.74 121.20 131.75 3i6e s ILE 272 Ca 0.18 0.44 0.01 0.00 0.00 0.00 0.00 60.65 61.28 3i6e s ILE 272 Cb -0.16 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.74 3i6e s ILE 272 CO 0.12 0.36 -0.03 -0.54 0.00 0.00 0.00 174.94 174.85 3i6e s LYS 273 N 0.75 0.59 0.49 2.79 1.02 -1.26 -1.71 119.74 122.40 3i6e s LYS 273 Ca 0.14 -0.06 0.23 0.00 0.02 0.00 0.00 55.97 56.29 3i6e s LYS 273 Cb -0.13 -0.65 1.28 0.00 -0.52 0.00 0.00 37.83 37.81 3i6e s LYS 273 CO 0.04 -0.07 2.04 -0.84 -0.92 0.00 0.00 175.35 175.60 3i6e h ILE 274 N 6.01 0.78 0.00 2.17 3.07 -1.86 -1.32 117.51 126.35 3i6e h ILE 274 Ca -0.39 -0.59 -0.02 0.00 1.55 0.00 0.00 64.86 65.41 3i6e h ILE 274 Cb 1.15 1.35 -0.00 0.00 -0.27 0.00 0.00 36.82 39.05 3i6e h ILE 274 CO 0.48 0.15 -0.10 0.24 -1.05 0.00 0.00 178.15 177.87 3i6e h MET 275 N 0.00 0.00 0.07 0.16 2.86 -1.92 -0.32 114.93 115.78 3i6e h MET 275 Ca -0.00 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.30 3i6e h MET 275 Cb 0.34 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 3i6e h MET 275 CO 0.02 0.10 -1.87 1.63 1.06 0.00 0.00 176.91 177.84 3i6e n LYS 276 N -3.38 0.68 0.28 1.72 5.02 -0.58 -2.74 118.16 119.16 3i6e n LYS 276 Ca -0.01 0.34 0.17 0.00 -2.02 0.00 0.00 58.31 56.79 3i6e n LYS 276 Cb 0.27 -1.69 0.73 0.00 -0.02 0.00 0.00 35.03 34.33 3i6e n LYS 276 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i6e h SER 277 N -0.30 0.00 -1.15 4.39 4.64 -1.21 -3.40 113.55 116.53 3i6e h SER 277 Ca -0.44 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.70 3i6e h SER 277 Cb 1.79 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.86 3i6e h SER 277 CO -0.04 0.03 -0.22 0.61 -0.87 0.00 0.00 176.83 176.33 3i6e n GLY 278 N -0.14 0.19 0.00 -0.77 0.00 -0.14 -4.76 105.19 99.58 3i6e n GLY 278 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3i6e n GLY 278 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6e n GLY 279 N -1.17 3.36 0.22 -0.02 0.00 -1.19 -3.64 105.19 102.76 3i6e n GLY 279 Ca -0.11 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 3i6e n GLY 279 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i6e h LEU 280 N 0.00 0.87 -0.27 0.99 4.07 -1.89 -2.77 115.31 116.31 3i6e h LEU 280 Ca 0.00 -0.53 -0.03 0.00 0.08 0.00 0.00 57.88 57.41 3i6e h LEU 280 Cb 0.00 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.48 3i6e h LEU 280 CO 0.00 1.31 0.06 0.74 -1.08 0.00 0.00 178.44 179.47 3i6e h THR 281 N 0.54 1.22 -0.09 0.22 2.02 -1.97 -1.68 112.91 113.17 3i6e h THR 281 Ca -0.02 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.43 3i6e h THR 281 Cb 1.29 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 68.89 3i6e h THR 281 CO 0.14 0.24 0.06 0.03 0.37 0.00 0.00 175.52 176.35 3i6e h ARG 282 N 0.26 0.10 -0.42 6.66 3.08 -1.87 0.40 114.38 122.59 3i6e h ARG 282 Ca 0.08 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 3i6e h ARG 282 Cb 0.30 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3i6e h ARG 282 CO 0.00 0.07 -0.16 0.00 -1.07 0.00 0.00 179.97 178.80 3i6e h ALA 283 N 1.95 0.58 -0.65 0.04 0.00 -1.14 -1.93 119.26 118.10 3i6e h ALA 283 Ca 0.03 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 3i6e h ALA 283 Cb 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3i6e h ALA 283 CO -0.01 0.51 0.22 1.96 0.00 0.00 0.00 179.25 181.93 3i6e h GLN 284 N 0.67 1.00 -0.86 0.00 4.20 -0.09 -2.28 115.11 117.75 3i6e h GLN 284 Ca 0.10 -0.21 0.01 0.00 0.06 0.00 0.00 58.65 58.61 3i6e h GLN 284 Cb 0.72 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 3i6e h GLN 284 CO 0.05 0.87 0.56 1.15 -0.67 0.00 0.00 178.83 180.80 3i6e h THR 285 N 0.94 1.22 -0.50 -0.54 2.02 -0.84 0.77 112.91 115.98 3i6e h THR 285 Ca 0.21 -0.42 0.02 0.00 0.77 0.00 0.00 66.41 67.00 3i6e h THR 285 Cb 0.28 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.62 3i6e h THR 285 CO -0.01 0.22 0.30 0.58 0.37 0.00 0.00 175.52 176.98 3i6e h VAL 286 N 1.17 1.05 -0.81 3.16 2.07 -0.97 0.12 116.25 122.04 3i6e h VAL 286 Ca 0.31 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 3i6e h VAL 286 Cb -0.12 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 3i6e h VAL 286 CO -0.07 0.11 0.35 0.00 0.02 0.00 0.00 177.57 177.98 3i6e h ALA 287 N 1.22 1.10 -0.21 1.67 0.00 -0.75 -0.60 119.26 121.69 3i6e h ALA 287 Ca 0.20 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3i6e h ALA 287 Cb 0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3i6e h ALA 287 CO -0.09 0.66 -0.54 0.00 0.00 0.00 0.00 179.25 179.28 3i6e h ARG 288 N 1.16 0.63 -0.32 0.00 3.08 -0.36 -1.01 114.38 117.56 3i6e h ARG 288 Ca 0.27 -0.39 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 3i6e h ARG 288 Cb 0.17 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3i6e h ARG 288 CO -0.03 1.01 -0.11 0.82 -1.07 0.00 0.00 179.97 180.59 3i6e h ILE 289 N 0.48 1.28 -0.18 2.04 2.04 -0.56 -1.82 117.51 120.79 3i6e h ILE 289 Ca 0.01 -1.18 0.03 0.00 1.00 0.00 0.00 64.86 64.72 3i6e h ILE 289 Cb 1.10 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 3i6e h ILE 289 CO 0.11 0.38 -0.01 0.00 0.00 0.00 0.00 178.15 178.63 3i6e h ALA 290 N 0.79 0.14 -0.99 1.87 0.00 -1.00 -2.41 119.26 117.66 3i6e h ALA 290 Ca 0.08 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3i6e h ALA 290 Cb 0.62 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 3i6e h ALA 290 CO 0.04 -0.45 0.64 0.00 0.00 0.00 0.00 179.25 179.48 3i6e h ALA 291 N 1.16 1.33 0.00 0.00 0.00 -1.07 -0.10 119.26 120.59 3i6e h ALA 291 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i6e h ALA 291 Cb 0.11 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3i6e h ALA 291 CO -0.15 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.58 3i6e h ALA 292 N 1.42 1.00 -0.35 0.00 0.00 -0.84 -0.67 119.26 119.83 3i6e h ALA 292 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3i6e h ALA 292 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i6e h ALA 292 CO -0.15 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.82 3i6e n HIS 293 N -2.47 0.45 -2.60 0.00 8.25 -0.44 -4.96 115.22 113.45 3i6e n HIS 293 Ca 0.00 -0.31 -0.11 0.00 -0.26 0.00 0.00 57.72 57.04 3i6e n HIS 293 Cb 0.15 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.27 3i6e n HIS 293 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i6e n GLY 294 N 1.05 0.09 3.47 -1.41 0.00 -0.26 -5.03 105.19 103.09 3i6e n GLY 294 Ca 0.15 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 3i6e n GLY 294 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6e s LEU 295 N -3.47 2.71 0.69 0.99 1.43 -0.18 -4.98 118.68 115.88 3i6e s LEU 295 Ca 0.14 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 3i6e s LEU 295 Cb -0.06 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.62 3i6e s LEU 295 CO 0.17 0.34 1.08 0.00 0.23 0.00 0.00 176.35 178.18 3i6e s MET 296 N -0.69 2.92 0.02 1.70 0.23 -0.60 -3.42 119.30 119.44 3i6e s MET 296 Ca 0.11 0.46 0.02 0.00 -1.03 0.00 0.00 55.69 55.25 3i6e s MET 296 Cb -0.11 -2.04 -0.01 0.00 -1.53 0.00 0.00 34.83 31.14 3i6e s MET 296 CO 0.01 -0.99 -0.08 0.00 -2.03 0.00 0.00 175.02 171.93 3i6e s ALA 297 N -3.33 0.60 0.04 3.16 0.00 -1.26 -1.19 121.76 119.79 3i6e s ALA 297 Ca 0.58 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 52.11 3i6e s ALA 297 Cb -0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 3i6e s ALA 297 CO 0.52 0.09 -0.18 -0.47 0.00 0.00 0.00 175.76 175.72 3i6e s TYR 298 N -0.63 1.54 -1.12 0.00 5.04 -0.43 -2.59 117.35 119.16 3i6e s TYR 298 Ca -0.02 -0.36 -0.17 0.00 -2.44 0.00 0.00 57.07 54.08 3i6e s TYR 298 Cb -0.05 -0.92 0.12 0.00 0.35 0.00 0.00 41.96 41.46 3i6e s TYR 298 CO 0.00 0.06 1.41 0.20 -1.34 0.00 0.00 175.55 175.88 3i6e s GLY 299 N -1.10 1.97 0.87 8.97 0.00 0.06 -0.60 107.32 117.49 3i6e s GLY 299 Ca 0.05 -2.97 -0.12 0.00 0.00 0.00 0.00 44.72 41.68 3i6e s GLY 299 CO 0.01 2.26 1.22 -0.32 0.00 0.00 0.00 173.10 176.27 3i6e s GLY 300 N 3.61 1.74 0.29 0.20 0.00 -0.70 -1.61 107.32 110.86 3i6e s GLY 300 Ca 0.43 -1.18 -0.17 0.00 0.00 0.00 0.00 44.72 43.80 3i6e s GLY 300 CO -0.02 -0.52 0.65 0.51 0.00 0.00 0.00 173.10 173.71 3i6e s ASP 301 N -4.78 -0.12 0.08 1.64 -4.77 -1.26 -4.49 116.67 102.96 3i6e s ASP 301 Ca 0.70 -0.81 0.01 0.00 -3.30 0.00 0.00 52.55 49.14 3i6e s ASP 301 Cb -0.06 0.70 0.01 0.00 -1.09 0.00 0.00 42.92 42.48 3i6e s ASP 301 CO 0.50 -1.33 0.08 0.23 0.70 0.00 0.00 175.17 175.35 3i6e n MET 302 N -0.45 1.21 -2.71 2.11 2.81 -1.26 -4.98 117.12 113.85 3i6e n MET 302 Ca -0.04 -0.45 -0.43 0.00 -1.81 0.00 0.00 57.70 54.97 3i6e n MET 302 Cb 0.60 0.02 -0.00 0.00 -0.71 0.00 0.00 33.22 33.12 3i6e n MET 302 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3i6e s PHE 303 N -0.01 3.00 0.53 2.03 0.08 -1.26 -4.90 117.98 117.44 3i6e s PHE 303 Ca 0.06 -1.71 0.06 0.00 0.12 0.00 0.00 56.93 55.45 3i6e s PHE 303 Cb -0.00 -4.60 0.03 0.00 -0.57 0.00 0.00 43.02 37.88 3i6e s PHE 303 CO 0.04 -1.68 0.39 -1.83 -0.10 0.00 0.00 175.22 172.04 3i6e s GLU 304 N 3.40 2.28 0.42 0.44 -1.05 -1.26 -4.85 118.70 118.07 3i6e s GLU 304 Ca 0.49 -1.97 0.04 0.00 -0.15 0.00 0.00 54.97 53.38 3i6e s GLU 304 Cb 0.01 -2.12 0.04 0.00 -0.44 0.00 0.00 34.13 31.62 3i6e s GLU 304 CO 0.03 -0.55 0.29 0.00 0.95 0.00 0.00 175.26 175.98 3i6e n ALA 305 N -1.72 0.63 -0.03 -0.84 0.00 -1.26 -4.43 120.51 112.86 3i6e n ALA 305 Ca -0.01 -1.71 0.20 0.00 0.00 0.00 0.00 53.44 51.91 3i6e n ALA 305 Cb 0.64 0.72 0.66 0.00 0.00 0.00 0.00 19.45 21.47 3i6e n ALA 305 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i6e h GLY 306 N 0.54 0.12 0.87 0.00 0.00 -1.96 -1.41 103.07 101.22 3i6e h GLY 306 Ca -0.27 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 3i6e h GLY 306 CO 0.43 0.01 -0.03 -2.00 0.00 0.00 0.00 176.54 174.95 3i6e h LEU 307 N 0.07 -0.07 -1.19 3.11 5.85 -1.96 -0.21 115.31 120.90 3i6e h LEU 307 Ca 0.28 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 3i6e h LEU 307 Cb 1.00 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3i6e h LEU 307 CO -0.02 0.07 -0.26 0.00 -0.34 0.00 0.00 178.44 177.89 3i6e h ALA 308 N 0.71 1.33 -0.53 1.25 0.00 -1.73 -2.15 119.26 118.14 3i6e h ALA 308 Ca -0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 3i6e h ALA 308 Cb 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3i6e h ALA 308 CO 0.01 0.46 0.12 0.45 0.00 0.00 0.00 179.25 180.30 3i6e h HIS 309 N 0.20 0.83 -0.22 0.00 3.86 -0.86 -0.74 115.15 118.23 3i6e h HIS 309 Ca 0.03 -0.08 -0.05 0.00 -1.16 0.00 0.00 60.37 59.11 3i6e h HIS 309 Cb 0.58 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 3i6e h HIS 309 CO 0.01 0.70 -0.08 -0.07 0.86 0.00 0.00 177.93 179.35 3i6e h LEU 310 N 0.78 0.44 -0.31 2.43 3.38 -0.41 0.69 115.31 122.31 3i6e h LEU 310 Ca 0.17 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3i6e h LEU 310 Cb 0.30 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3i6e h LEU 310 CO -0.00 0.73 0.19 0.00 0.09 0.00 0.00 178.44 179.46 3i6e h ALA 311 N 0.73 0.39 -0.81 1.53 0.00 -1.26 -1.22 119.26 118.62 3i6e h ALA 311 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3i6e h ALA 311 Cb 0.55 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3i6e h ALA 311 CO 0.03 -0.12 0.48 0.78 0.00 0.00 0.00 179.25 180.42 3i6e h GLY 312 N 0.41 1.17 1.03 0.00 0.00 -1.04 -2.27 103.07 102.38 3i6e h GLY 312 Ca 0.11 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 3i6e h GLY 312 CO -0.02 0.48 0.36 -0.84 0.00 0.00 0.00 176.54 176.51 3i6e h THR 313 N 1.11 1.25 -0.16 4.70 2.02 -0.41 -1.33 112.91 120.08 3i6e h THR 313 Ca 0.29 -0.74 -0.11 0.00 0.77 0.00 0.00 66.41 66.62 3i6e h THR 313 Cb -0.03 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 3i6e h THR 313 CO -0.05 0.31 -0.37 0.45 0.37 0.00 0.00 175.52 176.22 3i6e h HIS 314 N 1.12 0.41 0.01 3.16 3.86 -1.00 -0.74 115.15 121.96 3i6e h HIS 314 Ca 0.27 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3i6e h HIS 314 Cb 0.15 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.53 3i6e h HIS 314 CO 0.01 0.68 -0.00 1.98 0.86 0.00 0.00 177.93 181.46 3i6e h MET 315 N 0.30 -0.01 -0.65 2.45 -1.53 -0.97 -2.98 114.93 111.54 3i6e h MET 315 Ca 0.03 0.00 -0.05 0.00 -3.44 0.00 0.00 59.70 56.24 3i6e h MET 315 Cb 0.80 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.82 3i6e h MET 315 CO 0.06 0.31 0.20 0.82 0.14 0.00 0.00 176.91 178.44 3i6e h ILE 316 N -0.32 1.24 -0.01 1.77 2.04 -1.18 -2.47 117.51 118.59 3i6e h ILE 316 Ca -0.00 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3i6e h ILE 316 Cb 0.32 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3i6e h ILE 316 CO 0.00 0.32 0.01 0.00 0.00 0.00 0.00 178.15 178.48 3i6e h ALA 317 N 1.26 1.86 -0.62 1.87 0.00 -1.08 -1.39 119.26 121.16 3i6e h ALA 317 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3i6e h ALA 317 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3i6e h ALA 317 CO -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.23 3i6e n ALA 318 N -2.47 2.86 -3.68 0.00 0.00 -0.95 -0.45 120.51 115.81 3i6e n ALA 318 Ca -0.03 -1.55 -0.29 0.00 0.00 0.00 0.00 53.44 51.57 3i6e n ALA 318 Cb 0.09 -0.92 -0.13 0.00 0.00 0.00 0.00 19.45 18.49 3i6e n ALA 318 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i6e s THR 319 N -1.67 1.22 0.61 0.00 2.01 -0.52 -4.88 115.64 112.42 3i6e s THR 319 Ca 0.48 -2.40 0.32 0.00 0.31 0.00 0.00 61.69 60.40 3i6e s THR 319 Cb 0.30 -1.86 0.37 0.00 0.01 0.00 0.00 72.50 71.31 3i6e s THR 319 CO 0.25 -0.90 2.17 1.55 -0.69 0.00 0.00 174.62 177.00 3i6e h PRO 320 N 6.82 0.00 0.00 4.92 0.13 -1.87 -2.14 132.00 139.87 3i6e h PRO 320 Ca -0.01 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 3i6e h PRO 320 Cb 0.94 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 3i6e h PRO 320 CO 0.45 0.00 -0.04 0.93 -0.23 0.00 0.00 178.00 179.11 3i6e h GLU 321 N 0.00 0.00 -5.41 0.86 3.07 -1.93 -3.37 114.58 107.80 3i6e h GLU 321 Ca 0.04 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.26 3i6e h GLU 321 Cb 0.31 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.07 3i6e h GLU 321 CO -0.00 0.04 0.39 0.42 -1.40 0.00 0.00 179.01 178.47 3i6e s ILE 322 N -4.37 4.52 -0.44 3.13 -1.09 -0.80 -3.99 121.20 118.16 3i6e s ILE 322 Ca -0.04 -0.23 0.06 0.00 -2.23 0.00 0.00 60.65 58.21 3i6e s ILE 322 Cb 0.14 -4.53 -0.02 0.00 -1.58 0.00 0.00 42.46 36.48 3i6e s ILE 322 CO 0.54 -1.15 0.40 0.35 -1.23 0.00 0.00 174.94 173.85 3i6e n THR 323 N 5.91 0.00 0.48 2.92 -2.24 -1.07 -4.68 114.28 115.61 3i6e n THR 323 Ca -0.03 -0.42 0.06 0.00 -2.27 0.00 0.00 64.05 61.39 3i6e n THR 323 Cb 0.46 1.05 0.20 0.00 -2.10 0.00 0.00 70.33 69.93 3i6e n THR 323 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i6e n LEU 324 N -0.57 2.60 0.00 3.22 4.77 -1.12 -5.05 117.00 120.85 3i6e n LEU 324 Ca 0.02 -1.31 0.00 0.00 -0.03 0.00 0.00 56.01 54.69 3i6e n LEU 324 Cb 0.11 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 3i6e n LEU 324 CO 0.08 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3i6e n GLY 325 N 1.01 -2.17 3.13 -0.72 0.00 -1.26 -4.80 105.19 100.38 3i6e n GLY 325 Ca 0.15 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 3i6e n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6e n GLU 327 N 0.00 3.44 -2.08 0.00 0.28 -0.63 0.04 120.64 121.68 3i6e n GLU 327 Ca -0.11 -4.20 -0.42 0.00 -0.16 0.00 0.00 57.16 52.26 3i6e n GLU 327 Cb 0.62 -2.27 0.00 0.00 1.43 0.00 0.00 31.44 31.22 3i6e n GLU 327 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3i6e n PHE 328 N -0.63 3.19 0.41 -1.84 3.72 -1.26 -4.52 117.46 116.52 3i6e n PHE 328 Ca 0.44 -2.87 0.07 0.00 -0.05 0.00 0.00 57.45 55.04 3i6e n PHE 328 Cb 0.79 -2.20 -0.10 0.00 -0.94 0.00 0.00 39.48 37.04 3i6e n PHE 328 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 3i6e n TYR 329 N 4.80 0.00 0.11 1.38 0.18 -1.26 -4.73 117.16 117.64 3i6e n TYR 329 Ca 0.45 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 60.10 3i6e n TYR 329 Cb 0.37 -0.14 -0.06 0.00 -0.38 0.00 0.00 39.34 39.14 3i6e n TYR 329 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 3i6e h GLN 330 N 0.00 -0.49 -0.96 -3.48 7.50 -1.84 0.94 115.11 116.78 3i6e h GLN 330 Ca 0.00 0.03 0.21 0.00 0.50 0.00 0.00 58.65 59.39 3i6e h GLN 330 Cb 0.48 0.11 -0.08 0.00 0.05 0.00 0.00 27.48 28.04 3i6e h GLN 330 CO 0.00 -0.33 0.61 0.00 -1.50 0.00 0.00 178.83 177.62 3i6e h ALA 331 N 0.18 2.03 0.17 3.87 0.00 -1.85 0.35 119.26 124.02 3i6e h ALA 331 Ca 0.03 0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.64 3i6e h ALA 331 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3i6e h ALA 331 CO -0.17 -0.36 -1.76 0.77 0.00 0.00 0.00 179.25 177.74 3i6e h SER 332 N 0.53 0.55 -0.00 0.00 0.02 -1.77 -3.42 113.55 109.46 3i6e h SER 332 Ca 0.52 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3i6e h SER 332 Cb 1.11 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.48 3i6e h SER 332 CO -0.25 1.78 -0.01 -1.22 -1.14 0.00 0.00 176.83 175.99 3i6e n TYR 333 N -3.62 0.00 -0.02 3.45 4.01 0.29 -4.90 117.16 116.37 3i6e n TYR 333 Ca -0.26 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.44 3i6e n TYR 333 Cb 1.05 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.06 3i6e n TYR 333 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3i6e n PHE 334 N -0.19 0.00 -2.44 -0.72 7.35 0.11 -4.99 117.46 116.59 3i6e n PHE 334 Ca 0.00 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.32 3i6e n PHE 334 Cb 0.02 -0.14 -0.03 0.00 0.35 0.00 0.00 39.48 39.68 3i6e n PHE 334 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3i6e s LEU 335 N -6.33 4.17 0.01 -2.13 1.43 -0.52 -4.57 118.68 110.74 3i6e s LEU 335 Ca -0.06 2.17 -0.24 0.00 -1.03 0.00 0.00 54.13 54.97 3i6e s LEU 335 Cb 0.02 -4.11 -0.17 0.00 0.03 0.00 0.00 46.19 41.96 3i6e s LEU 335 CO 0.07 -0.57 1.37 -1.13 0.23 0.00 0.00 176.35 176.32 3i6e h ASN 336 N 2.57 0.10 -3.66 2.29 -1.24 -1.47 -3.44 115.58 110.73 3i6e h ASN 336 Ca -0.48 -0.41 -0.31 0.00 0.71 0.00 0.00 56.30 55.81 3i6e h ASN 336 Cb 1.22 -0.03 -0.31 0.00 0.73 0.00 0.00 38.32 39.93 3i6e h ASN 336 CO 0.62 0.49 -0.74 -0.70 -1.29 0.00 0.00 177.43 175.81 3i6e s GLU 337 N -4.58 0.23 0.79 6.67 2.12 -1.26 -5.09 118.70 117.58 3i6e s GLU 337 Ca -0.15 -0.00 -0.07 0.00 0.36 0.00 0.00 54.97 55.11 3i6e s GLU 337 Cb 0.03 -0.32 0.13 0.00 0.26 0.00 0.00 34.13 34.23 3i6e s GLU 337 CO 0.69 -0.04 1.10 0.34 -0.54 0.00 0.00 175.26 176.81 3i6e s ASP 338 N 0.48 4.07 0.00 -1.70 2.15 -1.26 -4.88 116.67 115.53 3i6e s ASP 338 Ca -0.05 0.03 0.19 0.00 0.43 0.00 0.00 52.55 53.16 3i6e s ASP 338 Cb -0.07 -0.37 0.07 0.00 -0.30 0.00 0.00 42.92 42.24 3i6e s ASP 338 CO -0.01 -2.07 1.03 2.30 -0.17 0.00 0.00 175.17 176.25 3i6e n ILE 339 N -3.15 0.00 -2.92 4.11 -5.35 -1.26 -4.99 119.36 105.81 3i6e n ILE 339 Ca 0.13 -0.40 -0.34 0.00 -0.27 0.00 0.00 62.75 61.88 3i6e n ILE 339 Cb 0.60 1.31 -0.07 0.00 -1.74 0.00 0.00 39.64 39.74 3i6e n ILE 339 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3i6e s LEU 340 N -1.95 4.10 0.25 7.28 1.43 -1.26 -0.19 118.68 128.34 3i6e s LEU 340 Ca 0.19 1.59 0.01 0.00 -1.03 0.00 0.00 54.13 54.90 3i6e s LEU 340 Cb 0.16 -4.21 0.31 0.00 0.03 0.00 0.00 46.19 42.48 3i6e s LEU 340 CO 0.37 -0.22 1.65 -0.33 0.23 0.00 0.00 176.35 178.05 3i6e h GLU 341 N 2.43 0.48 -6.51 1.70 5.08 -1.50 -3.43 114.58 112.83 3i6e h GLU 341 Ca -0.48 -0.22 -0.70 0.00 -1.00 0.00 0.00 59.36 56.96 3i6e h GLU 341 Cb 1.18 -0.01 -0.29 0.00 0.50 0.00 0.00 28.75 30.13 3i6e h GLU 341 CO 0.63 0.77 -0.88 0.95 -1.00 0.00 0.00 179.01 179.49 3i6e s THR 342 N -4.30 2.16 0.57 1.13 -4.23 -1.26 -5.05 115.64 104.66 3i6e s THR 342 Ca -0.07 -1.06 -0.20 0.00 -1.18 0.00 0.00 61.69 59.18 3i6e s THR 342 Cb 0.13 -1.76 -0.05 0.00 1.34 0.00 0.00 72.50 72.16 3i6e s THR 342 CO 0.80 0.58 1.13 -0.81 -0.54 0.00 0.00 174.62 175.79 3i6e n PRO 343 N 2.49 1.21 -2.10 3.99 -0.04 -1.26 -4.91 135.00 134.38 3i6e n PRO 343 Ca -0.16 0.46 -0.43 0.00 -0.04 0.00 0.00 63.50 63.33 3i6e n PRO 343 Cb 0.51 -2.33 -0.03 0.00 -0.04 0.00 0.00 33.50 31.62 3i6e n PRO 343 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3i6e s PHE 344 N -1.40 2.04 -0.09 0.54 5.36 -1.26 -4.92 117.98 118.24 3i6e s PHE 344 Ca 0.74 0.58 -0.29 0.00 -0.96 0.00 0.00 56.93 57.00 3i6e s PHE 344 Cb -0.43 -4.07 -0.05 0.00 -0.34 0.00 0.00 43.02 38.13 3i6e s PHE 344 CO 0.48 -2.84 1.70 1.03 -1.46 0.00 0.00 175.22 174.13 3i6e s ARG 345 N 5.04 4.05 -0.04 10.12 0.52 -1.26 -4.95 118.95 132.42 3i6e s ARG 345 Ca 0.73 2.11 -0.02 0.00 -0.52 0.00 0.00 55.73 58.03 3i6e s ARG 345 Cb -0.23 -4.03 0.03 0.00 0.52 0.00 0.00 34.95 31.24 3i6e s ARG 345 CO 0.31 -1.01 0.05 0.08 0.02 0.00 0.00 175.30 174.75 3i6e s VAL 346 N 4.52 -0.02 -0.07 3.52 1.01 -1.26 -1.00 120.40 127.09 3i6e s VAL 346 Ca 0.76 0.37 0.02 0.00 0.00 0.00 0.00 61.98 63.13 3i6e s VAL 346 Cb -0.32 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 35.85 3i6e s VAL 346 CO 0.31 0.19 -0.14 -1.61 0.00 0.00 0.00 175.10 173.85 3i6e s GLU 347 N 2.09 1.89 -1.44 2.72 2.02 -0.30 -4.75 118.70 120.93 3i6e s GLU 347 Ca 0.04 -0.48 -0.07 0.00 0.02 0.00 0.00 54.97 54.49 3i6e s GLU 347 Cb -0.12 -1.54 0.03 0.00 0.10 0.00 0.00 34.13 32.61 3i6e s GLU 347 CO -0.03 0.05 0.60 0.00 0.02 0.00 0.00 175.26 175.89 3i6e n ALA 348 N 3.78 -1.04 -1.04 5.21 0.00 -1.26 -1.44 120.51 124.73 3i6e n ALA 348 Ca -0.22 0.21 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 3i6e n ALA 348 Cb 0.52 -3.56 -0.01 0.00 0.00 0.00 0.00 19.45 16.41 3i6e n ALA 348 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i6e n GLY 349 N -1.42 0.50 3.11 0.00 0.00 -1.16 -4.56 105.19 101.67 3i6e n GLY 349 Ca -0.06 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 3i6e n GLY 349 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i6e s GLN 350 N -1.12 2.52 0.25 1.61 -1.52 -0.52 -1.59 119.66 119.29 3i6e s GLN 350 Ca 0.00 -0.68 -0.30 0.00 -1.95 0.00 0.00 55.36 52.43 3i6e s GLN 350 Cb 0.00 -2.05 -0.10 0.00 -0.22 0.00 0.00 33.01 30.65 3i6e s GLN 350 CO 0.00 0.01 1.39 0.08 -0.25 0.00 0.00 175.29 176.52 3i6e s VAL 351 N 0.77 2.82 -0.23 1.09 1.01 0.49 -1.15 120.40 125.20 3i6e s VAL 351 Ca -0.10 0.70 -0.15 0.00 0.00 0.00 0.00 61.98 62.42 3i6e s VAL 351 Cb -0.16 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3i6e s VAL 351 CO 0.01 0.12 0.38 -0.63 0.00 0.00 0.00 175.10 174.98 3i6e s ILE 352 N -0.13 5.20 -0.21 2.22 -1.09 -0.17 -1.26 121.20 125.76 3i6e s ILE 352 Ca 0.57 0.63 -0.29 0.00 -2.23 0.00 0.00 60.65 59.33 3i6e s ILE 352 Cb -0.40 -3.71 -0.01 0.00 -1.58 0.00 0.00 42.46 36.76 3i6e s ILE 352 CO 0.43 0.22 1.34 -0.69 -1.23 0.00 0.00 174.94 175.01 3i6e s VAL 353 N 1.60 4.13 0.51 2.92 1.01 0.21 -4.81 120.40 125.97 3i6e s VAL 353 Ca 0.17 1.33 -0.22 0.00 0.00 0.00 0.00 61.98 63.26 3i6e s VAL 353 Cb -0.15 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 3i6e s VAL 353 CO 0.08 -0.26 1.25 -2.84 0.00 0.00 0.00 175.10 173.33 3i6e s PRO 354 N 3.88 3.39 0.00 2.72 0.02 -1.26 -4.95 135.00 138.80 3i6e s PRO 354 Ca 0.58 1.97 0.02 0.00 0.02 0.00 0.00 61.00 63.59 3i6e s PRO 354 Cb -0.21 -2.28 0.02 0.00 0.02 0.00 0.00 34.50 32.05 3i6e s PRO 354 CO 0.20 -0.91 0.61 -0.25 -0.33 0.00 0.00 177.00 176.32 3i6e n ASP 355 N -0.87 1.27 -4.30 2.53 8.00 -1.26 -4.94 116.55 116.98 3i6e n ASP 355 Ca 0.09 -1.17 -0.29 0.00 0.71 0.00 0.00 54.79 54.13 3i6e n ASP 355 Cb 0.47 -0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.73 3i6e n ASP 355 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3i6e s GLY 356 N -0.25 1.74 0.48 0.44 0.00 -1.26 -4.53 107.32 103.93 3i6e s GLY 356 Ca 0.03 -1.11 -0.24 0.00 0.00 0.00 0.00 44.72 43.40 3i6e s GLY 356 CO 0.03 -0.40 1.33 -1.05 0.00 0.00 0.00 173.10 173.01 3i6e n PRO 357 N -3.65 1.91 0.00 2.90 -0.02 -1.26 -3.45 135.00 131.43 3i6e n PRO 357 Ca 0.14 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3i6e n PRO 357 Cb 0.60 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3i6e n PRO 357 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i6e n GLY 358 N 0.75 2.34 0.27 -1.23 0.00 0.19 -2.58 105.19 104.93 3i6e n GLY 358 Ca 0.08 -0.43 0.14 0.00 0.00 0.00 0.00 46.02 45.80 3i6e n GLY 358 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i6e h LEU 359 N 0.00 0.00 0.00 0.99 3.38 -1.86 -1.62 115.31 116.20 3i6e h LEU 359 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i6e h LEU 359 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i6e h LEU 359 CO 0.00 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.25 3i6e n GLY 360 N -0.48 0.79 3.58 0.83 0.00 -1.06 -4.83 105.19 104.02 3i6e n GLY 360 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 3i6e n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6e s ALA 361 N -2.00 -1.97 0.17 4.61 0.00 -1.26 -4.94 121.76 116.37 3i6e s ALA 361 Ca 0.00 1.57 0.07 0.00 0.00 0.00 0.00 51.96 53.60 3i6e s ALA 361 Cb 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 3i6e s ALA 361 CO 0.00 -0.38 0.03 1.03 0.00 0.00 0.00 175.76 176.44 3i6e s ARG 362 N -1.49 2.51 0.02 0.00 0.52 -1.26 -5.01 118.95 114.25 3i6e s ARG 362 Ca 0.02 -1.06 -0.29 0.00 -0.52 0.00 0.00 55.73 53.88 3i6e s ARG 362 Cb -0.01 -2.42 -0.04 0.00 0.52 0.00 0.00 34.95 33.00 3i6e s ARG 362 CO -0.02 0.46 0.93 0.00 0.02 0.00 0.00 175.30 176.69 3i6e s ALA 363 N -1.74 3.21 -0.31 2.13 0.00 -1.26 -1.28 121.76 122.52 3i6e s ALA 363 Ca 0.28 0.49 -0.29 0.00 0.00 0.00 0.00 51.96 52.44 3i6e s ALA 363 Cb -0.09 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 3i6e s ALA 363 CO 0.20 -0.15 1.58 0.34 0.00 0.00 0.00 175.76 177.73 3i6e s ASP 364 N 0.66 6.26 0.47 0.00 -1.08 0.73 -4.81 116.67 118.90 3i6e s ASP 364 Ca 0.48 1.28 0.16 0.00 -0.52 0.00 0.00 52.55 53.96 3i6e s ASP 364 Cb -0.21 -2.53 1.14 0.00 -1.46 0.00 0.00 42.92 39.85 3i6e s ASP 364 CO 0.27 -1.42 2.01 -0.65 0.52 0.00 0.00 175.17 175.91 3i6e h PRO 365 N 11.20 0.25 -0.28 4.34 0.11 -1.94 -0.70 132.00 144.99 3i6e h PRO 365 Ca -0.31 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.70 3i6e h PRO 365 Cb 1.14 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3i6e h PRO 365 CO 1.03 0.17 -0.19 0.93 -0.21 0.00 0.00 178.00 179.74 3i6e h GLU 366 N 0.26 0.50 0.17 1.05 5.08 -1.97 -1.73 114.58 117.95 3i6e h GLU 366 Ca 0.22 -0.17 -0.30 0.00 -1.00 0.00 0.00 59.36 58.11 3i6e h GLU 366 Cb 0.53 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.76 3i6e h GLU 366 CO -0.04 0.67 -1.32 0.87 -1.00 0.00 0.00 179.01 178.18 3i6e h LYS 367 N 0.45 0.44 -0.56 2.33 1.57 -1.54 -1.93 116.57 117.33 3i6e h LYS 367 Ca 0.08 -0.70 -0.02 0.00 -1.87 0.00 0.00 60.65 58.14 3i6e h LYS 367 Cb 0.58 0.25 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 3i6e h LYS 367 CO 0.04 1.32 0.27 -0.07 -0.57 0.00 0.00 179.45 180.45 3i6e h LEU 368 N 0.14 0.70 0.25 2.94 3.38 -1.01 0.14 115.31 121.86 3i6e h LEU 368 Ca -0.19 -0.06 -0.34 0.00 0.09 0.00 0.00 57.88 57.38 3i6e h LEU 368 Cb 2.02 -0.18 0.04 0.00 0.09 0.00 0.00 40.66 42.63 3i6e h LEU 368 CO 0.24 0.59 -1.48 -0.08 0.09 0.00 0.00 178.44 177.80 3i6e h GLU 369 N 0.79 0.54 -0.15 1.13 4.57 -1.38 -3.00 114.58 117.08 3i6e h GLU 369 Ca 0.20 -0.92 -0.08 0.00 -1.18 0.00 0.00 59.36 57.38 3i6e h GLU 369 Cb 0.07 0.34 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 3i6e h GLU 369 CO -0.03 1.44 -0.26 1.25 -1.18 0.00 0.00 179.01 180.24 3i6e h HIS 370 N 0.15 0.30 -0.03 0.92 2.76 -1.00 -3.21 115.15 115.02 3i6e h HIS 370 Ca -0.26 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 57.86 3i6e h HIS 370 Cb 2.17 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 31.06 3i6e h HIS 370 CO 0.13 0.51 0.00 0.66 -1.30 0.00 0.00 177.93 177.93 3i6e n TYR 371 N -4.15 0.01 -2.37 5.26 4.01 0.01 -5.00 117.16 114.93 3i6e n TYR 371 Ca -0.01 -0.01 -0.38 0.00 -0.16 0.00 0.00 57.90 57.35 3i6e n TYR 371 Cb 0.37 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.38 3i6e n TYR 371 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i6e s ALA 372 N -1.52 3.13 -0.32 -0.72 0.00 -1.13 -1.69 121.76 119.51 3i6e s ALA 372 Ca 0.22 0.89 0.08 0.00 0.00 0.00 0.00 51.96 53.14 3i6e s ALA 372 Cb 0.15 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 3i6e s ALA 372 CO 0.23 -0.44 0.31 1.33 0.00 0.00 0.00 175.76 177.19 3i6e n VAL 373 N 0.03 0.00 -3.59 0.00 0.24 0.12 -4.91 118.33 110.22 3i6e n VAL 373 Ca 0.05 -0.30 -0.12 0.00 -2.04 0.00 0.00 64.34 61.92 3i6e n VAL 373 Cb 0.47 0.91 -0.06 0.00 -1.47 0.00 0.00 33.84 33.69 3i6e n VAL 373 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3i6e s ARG 374 N -1.84 0.71 0.00 7.34 3.52 -1.20 -5.00 118.95 122.48 3i6e s ARG 374 Ca 0.02 0.45 0.00 0.00 -0.13 0.00 0.00 55.73 56.07 3i6e s ARG 374 Cb 0.06 0.34 0.00 0.00 -1.56 0.00 0.00 34.95 33.79 3i6e s ARG 374 CO 0.32 -0.17 0.00 2.89 -0.81 0.00 0.00 175.30 177.53