#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 0.10 -1.66 3.23 -0.58 -1.26 -1.60 120.64 118.87 3i6e n GLU 7 Ca 0.00 -0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.35 3i6e n GLU 7 Cb 0.00 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.41 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 -1.45 1.25 -3.79 3.49 6.02 -1.26 -4.69 117.38 116.95 3i6e n GLN 8 Ca 0.09 0.47 -0.33 0.00 -0.01 0.00 0.00 57.00 57.21 3i6e n GLN 8 Cb 0.32 -2.28 -0.05 0.00 1.02 0.00 0.00 30.24 29.25 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 -2.66 3.55 -0.18 -1.09 -0.14 -1.26 -1.02 119.74 116.93 3i6e s LYS 9 Ca 0.72 -0.18 -0.26 0.00 -1.36 0.00 0.00 55.97 54.89 3i6e s LYS 9 Cb -0.44 -3.01 -0.01 0.00 -1.68 0.00 0.00 37.83 32.69 3i6e s LYS 9 CO 0.50 0.60 0.89 0.42 -0.76 0.00 0.00 175.35 176.99 3i6e s ILE 10 N -1.44 4.83 -0.41 2.17 1.01 -0.03 -0.61 121.20 126.72 3i6e s ILE 10 Ca 0.33 1.75 0.14 0.00 0.00 0.00 0.00 60.65 62.86 3i6e s ILE 10 Cb -0.13 -4.19 -0.18 0.00 0.01 0.00 0.00 42.46 37.98 3i6e s ILE 10 CO 0.21 -0.02 0.48 2.30 0.00 0.00 0.00 174.94 177.91 3i6e n ILE 11 N 4.86 0.00 -3.78 2.92 -5.35 0.13 -0.21 119.36 117.92 3i6e n ILE 11 Ca 0.06 -0.23 -0.12 0.00 -0.27 0.00 0.00 62.75 62.20 3i6e n ILE 11 Cb 0.48 0.69 -0.08 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 -2.55 -0.60 -0.06 -1.28 0.00 -1.09 -4.91 121.76 111.26 3i6e s ALA 12 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.95 3i6e s ALA 12 Cb 0.10 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.50 3i6e s ALA 12 CO 0.57 -0.36 0.03 1.41 0.00 0.00 0.00 175.76 177.41 3i6e s MET 13 N -2.23 0.34 0.07 0.00 1.75 -1.26 -1.97 119.30 116.00 3i6e s MET 13 Ca -0.07 0.20 0.08 0.00 -1.25 0.00 0.00 55.69 54.64 3i6e s MET 13 Cb -0.02 -0.84 -0.04 0.00 2.84 0.00 0.00 34.83 36.77 3i6e s MET 13 CO -0.02 -0.33 -0.19 -0.51 -0.65 0.00 0.00 175.02 173.33 3i6e s ASP 14 N 2.05 3.78 0.05 1.11 1.01 -0.08 -4.97 116.67 119.63 3i6e s ASP 14 Ca 0.05 -0.50 0.03 0.00 0.71 0.00 0.00 52.55 52.84 3i6e s ASP 14 Cb -0.12 -0.55 -0.03 0.00 1.01 0.00 0.00 42.92 43.23 3i6e s ASP 14 CO -0.05 0.22 -0.09 -0.76 0.21 0.00 0.00 175.17 174.71 3i6e s LEU 15 N -1.73 2.28 -0.05 1.23 1.43 -1.26 -1.43 118.68 119.15 3i6e s LEU 15 Ca 0.16 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 3i6e s LEU 15 Cb -0.10 -0.23 0.03 0.00 0.03 0.00 0.00 46.19 45.92 3i6e s LEU 15 CO 0.07 -0.20 0.10 0.26 0.23 0.00 0.00 176.35 176.81 3i6e s TRP 16 N -1.56 -0.08 -0.48 0.29 0.51 -0.67 -4.42 118.94 112.53 3i6e s TRP 16 Ca -0.06 0.32 -0.09 0.00 -2.12 0.00 0.00 56.10 54.15 3i6e s TRP 16 Cb -0.09 -0.13 0.12 0.00 -0.81 0.00 0.00 33.47 32.56 3i6e s TRP 16 CO 0.00 -0.13 0.36 -1.58 -0.51 0.00 0.00 176.95 175.09 3i6e s HIS 17 N 1.03 3.42 0.26 -1.98 5.65 0.44 -0.60 115.29 123.51 3i6e s HIS 17 Ca -0.08 -1.86 -0.03 0.00 0.25 0.00 0.00 55.06 53.34 3i6e s HIS 17 Cb -0.11 -3.51 -0.05 0.00 -1.18 0.00 0.00 32.58 27.73 3i6e s HIS 17 CO -0.04 -1.00 0.49 -0.51 -0.65 0.00 0.00 174.74 173.03 3i6e s LEU 18 N 1.35 4.12 -0.32 8.88 1.43 0.73 -0.74 118.68 134.13 3i6e s LEU 18 Ca 0.06 0.58 -0.00 0.00 -1.03 0.00 0.00 54.13 53.73 3i6e s LEU 18 Cb -0.26 -3.38 0.10 0.00 0.03 0.00 0.00 46.19 42.68 3i6e s LEU 18 CO -0.01 -0.14 0.10 0.00 0.23 0.00 0.00 176.35 176.53 3i6e s ALA 19 N -2.01 1.66 -0.17 4.21 0.00 -0.67 -1.54 121.76 123.24 3i6e s ALA 19 Ca 0.42 -1.78 -0.15 0.00 0.00 0.00 0.00 51.96 50.44 3i6e s ALA 19 Cb -0.11 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 3i6e s ALA 19 CO 0.30 -1.69 0.35 -0.51 0.00 0.00 0.00 175.76 174.20 3i6e s LEU 20 N 1.50 4.21 0.60 0.00 1.43 0.89 -4.86 118.68 122.45 3i6e s LEU 20 Ca 0.10 0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 53.56 3i6e s LEU 20 Cb -0.18 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 3i6e s LEU 20 CO -0.23 0.03 1.17 -2.16 0.23 0.00 0.00 176.35 175.39 3i6e s PRO 21 N 0.79 2.97 0.09 1.29 0.04 -1.26 -1.17 135.00 137.73 3i6e s PRO 21 Ca 0.18 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.92 3i6e s PRO 21 Cb -0.14 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3i6e s PRO 21 CO 0.06 -1.18 0.00 1.33 0.04 0.00 0.00 177.00 177.25 3i6e n VAL 22 N -1.74 0.49 0.00 -0.36 0.24 -1.26 -1.39 118.33 114.31 3i6e n VAL 22 Ca 0.13 0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.59 3i6e n VAL 22 Cb 0.50 -1.03 0.00 0.00 -1.47 0.00 0.00 33.84 31.85 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 -2.16 3.61 0.18 0.00 2.02 -1.26 -0.08 118.70 121.01 3i6e s GLU 38 Ca 0.00 -0.04 -0.06 0.00 0.02 0.00 0.00 54.97 54.88 3i6e s GLU 38 Cb 0.00 -3.22 -0.02 0.00 0.10 0.00 0.00 34.13 30.99 3i6e s GLU 38 CO 0.00 0.71 0.24 0.96 0.02 0.00 0.00 175.26 177.18 3i6e s ILE 39 N -0.87 0.04 -0.14 -1.63 -4.36 -0.59 -4.51 121.20 109.15 3i6e s ILE 39 Ca 0.16 -1.65 0.02 0.00 -0.26 0.00 0.00 60.65 58.92 3i6e s ILE 39 Cb -0.13 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 41.48 3i6e s ILE 39 CO 0.05 -0.20 -0.18 -0.69 0.24 0.00 0.00 174.94 174.16 3i6e s VAL 40 N -4.04 1.81 -0.11 8.37 1.01 -0.44 -0.20 120.40 126.81 3i6e s VAL 40 Ca 0.25 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 3i6e s VAL 40 Cb 0.04 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3i6e s VAL 40 CO 0.05 0.50 0.03 -0.69 0.00 0.00 0.00 175.10 174.99 3i6e s VAL 41 N 1.05 4.53 0.00 2.92 1.01 0.23 -0.92 120.40 129.23 3i6e s VAL 41 Ca -0.03 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 61.88 3i6e s VAL 41 Cb -0.15 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 3i6e s VAL 41 CO -0.05 0.59 -0.26 -0.22 0.00 0.00 0.00 175.10 175.16 3i6e s LEU 42 N -0.70 2.09 -0.04 3.92 2.96 0.47 -1.67 118.68 125.71 3i6e s LEU 42 Ca 0.11 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 3i6e s LEU 42 Cb -0.12 -1.30 0.01 0.00 0.50 0.00 0.00 46.19 45.28 3i6e s LEU 42 CO 0.02 0.29 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.65 3i6e s ARG 43 N -0.83 1.21 0.02 1.98 3.52 -0.52 -1.40 118.95 122.93 3i6e s ARG 43 Ca 0.10 -0.30 0.07 0.00 -0.13 0.00 0.00 55.73 55.48 3i6e s ARG 43 Cb -0.10 -1.08 -0.03 0.00 -1.56 0.00 0.00 34.95 32.18 3i6e s ARG 43 CO 0.00 0.03 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.82 3i6e s LEU 44 N 0.55 2.52 -0.07 -0.88 1.43 -0.07 -0.91 118.68 121.26 3i6e s LEU 44 Ca -0.10 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 3i6e s LEU 44 Cb -0.13 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.62 3i6e s LEU 44 CO 0.02 0.28 -0.15 -0.69 0.23 0.00 0.00 176.35 176.03 3i6e s VAL 45 N -0.85 1.38 0.33 -1.59 1.01 -0.83 -0.97 120.40 118.88 3i6e s VAL 45 Ca 0.13 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3i6e s VAL 45 Cb -0.10 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 3i6e s VAL 45 CO 0.03 0.41 0.50 0.00 0.00 0.00 0.00 175.10 176.05 3i6e s ALA 46 N 0.57 3.82 0.29 5.51 0.00 -0.74 0.18 121.76 131.39 3i6e s ALA 46 Ca -0.16 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 50.75 3i6e s ALA 46 Cb -0.16 -1.96 0.71 0.00 0.00 0.00 0.00 23.12 21.71 3i6e s ALA 46 CO 0.05 0.00 1.66 0.93 0.00 0.00 0.00 175.76 178.40 3i6e h GLU 47 N 0.84 0.25 0.00 0.00 5.08 -1.20 0.98 114.58 120.53 3i6e h GLU 47 Ca -0.49 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3i6e h GLU 47 Cb 1.23 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3i6e h GLU 47 CO 0.60 0.17 0.00 0.41 -1.00 0.00 0.00 179.01 179.18 3i6e n GLY 48 N -1.36 -0.71 0.00 -3.84 0.00 -1.26 -4.87 105.19 93.15 3i6e n GLY 48 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.36 2.30 3.76 -0.02 0.00 0.34 -5.07 105.19 106.14 3i6e n GLY 49 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3i6e n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6e s ALA 50 N -2.61 2.67 0.11 4.61 0.00 -1.26 -4.77 121.76 120.51 3i6e s ALA 50 Ca 0.00 1.05 0.09 0.00 0.00 0.00 0.00 51.96 53.10 3i6e s ALA 50 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 3i6e s ALA 50 CO 0.00 -1.10 -0.23 -1.21 0.00 0.00 0.00 175.76 173.22 3i6e s GLU 51 N -3.15 1.27 -0.02 0.00 2.02 -1.26 -1.79 118.70 115.77 3i6e s GLU 51 Ca 0.74 -1.22 0.04 0.00 0.02 0.00 0.00 54.97 54.55 3i6e s GLU 51 Cb -0.32 -1.62 -0.01 0.00 0.10 0.00 0.00 34.13 32.29 3i6e s GLU 51 CO 0.35 0.38 -0.14 0.20 0.02 0.00 0.00 175.26 176.08 3i6e s GLY 52 N -1.89 0.74 0.14 -1.39 0.00 -0.14 -4.35 107.32 100.43 3i6e s GLY 52 Ca 0.10 -0.58 0.08 0.00 0.00 0.00 0.00 44.72 44.32 3i6e s GLY 52 CO 0.05 -0.37 -0.11 -1.36 0.00 0.00 0.00 173.10 171.31 3i6e s PHE 53 N -0.10 2.66 -0.07 1.90 0.08 -1.26 -0.89 117.98 120.30 3i6e s PHE 53 Ca 0.01 -0.21 -0.22 0.00 0.12 0.00 0.00 56.93 56.63 3i6e s PHE 53 Cb -0.08 -1.35 0.05 0.00 -0.57 0.00 0.00 43.02 41.07 3i6e s PHE 53 CO 0.01 0.46 0.50 0.20 -0.10 0.00 0.00 175.22 176.28 3i6e s GLY 54 N -2.51 -0.37 0.03 4.36 0.00 -0.49 -2.56 107.32 105.78 3i6e s GLY 54 Ca 0.23 0.96 0.07 0.00 0.00 0.00 0.00 44.72 45.97 3i6e s GLY 54 CO 0.14 0.69 -0.21 1.85 0.00 0.00 0.00 173.10 175.57 3i6e s GLU 55 N -0.92 1.44 -0.14 2.90 2.12 -1.26 -0.39 118.70 122.45 3i6e s GLU 55 Ca -0.10 -0.91 0.02 0.00 0.36 0.00 0.00 54.97 54.35 3i6e s GLU 55 Cb -0.03 -1.52 0.01 0.00 0.26 0.00 0.00 34.13 32.85 3i6e s GLU 55 CO 0.06 0.39 -0.20 0.00 -0.54 0.00 0.00 175.26 174.97 3i6e s ALA 56 N -0.75 2.13 -0.70 6.30 0.00 -0.10 -3.79 121.76 124.85 3i6e s ALA 56 Ca 0.08 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 51.06 3i6e s ALA 56 Cb -0.09 -0.99 0.19 0.00 0.00 0.00 0.00 23.12 22.23 3i6e s ALA 56 CO 0.01 -0.10 0.57 0.43 0.00 0.00 0.00 175.76 176.67 3i6e n SER 57 N 4.21 3.27 -4.77 0.00 7.64 -1.26 -1.33 113.62 121.38 3i6e n SER 57 Ca -0.20 -3.27 -0.39 0.00 1.01 0.00 0.00 58.87 56.02 3i6e n SER 57 Cb 0.51 -0.75 -0.00 0.00 -1.01 0.00 0.00 64.21 62.96 3i6e n SER 57 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3i6e s PRO 58 N -1.72 3.84 -0.43 1.43 0.02 -1.26 -4.54 135.00 132.34 3i6e s PRO 58 Ca 0.29 2.08 0.04 0.00 0.02 0.00 0.00 61.00 63.42 3i6e s PRO 58 Cb 0.00 -2.63 0.11 0.00 0.02 0.00 0.00 34.50 32.01 3i6e s PRO 58 CO -0.13 -0.58 0.15 -0.46 -0.33 0.00 0.00 177.00 175.65 3i6e s TRP 59 N -1.33 3.46 0.20 6.54 -0.11 -1.12 -4.82 118.94 121.76 3i6e s TRP 59 Ca 0.60 -3.07 0.02 0.00 1.22 0.00 0.00 56.10 54.86 3i6e s TRP 59 Cb -0.36 -2.86 0.51 0.00 -1.50 0.00 0.00 33.47 29.26 3i6e s TRP 59 CO 0.46 -0.85 0.99 0.00 -4.62 0.00 0.00 176.95 172.93 3i6e n ALA 60 N 3.70 0.34 0.53 5.86 0.00 -0.67 0.32 120.51 130.61 3i6e n ALA 60 Ca 0.04 0.67 0.13 0.00 0.00 0.00 0.00 53.44 54.29 3i6e n ALA 60 Cb 0.37 -0.50 0.37 0.00 0.00 0.00 0.00 19.45 19.69 3i6e n ALA 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3i6e h VAL 61 N 0.00 0.00 0.00 0.00 -1.51 -1.95 -3.35 116.25 109.44 3i6e h VAL 61 Ca 0.39 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 3i6e h VAL 61 Cb 0.83 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 3i6e h VAL 61 CO -0.59 0.00 -0.09 0.49 -1.23 0.00 0.00 177.57 176.15 3i6e n PHE 62 N -2.43 0.00 0.03 5.19 3.72 0.15 -4.90 117.46 119.23 3i6e n PHE 62 Ca 0.05 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.34 3i6e n PHE 62 Cb 0.44 -0.05 -0.13 0.00 -0.94 0.00 0.00 39.48 38.80 3i6e n PHE 62 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3i6e h THR 63 N -0.09 1.23 0.00 4.37 1.35 -1.55 -3.49 112.91 114.72 3i6e h THR 63 Ca 0.00 -2.96 0.00 0.00 -0.55 0.00 0.00 66.41 62.90 3i6e h THR 63 Cb 0.09 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 3i6e h THR 63 CO 0.00 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 3i6e n GLY 64 N 1.54 1.57 3.93 5.82 0.00 -1.12 -4.56 105.19 112.36 3i6e n GLY 64 Ca -0.12 -1.72 -0.25 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.55 5.06 0.40 2.61 -4.23 -1.26 -1.67 115.64 115.01 3i6e s THR 65 Ca 0.00 -0.30 0.12 0.00 -1.18 0.00 0.00 61.69 60.33 3i6e s THR 65 Cb 0.00 -3.86 0.14 0.00 1.34 0.00 0.00 72.50 70.12 3i6e s THR 65 CO 0.00 -0.61 1.90 1.55 -0.54 0.00 0.00 174.62 176.92 3i6e h PRO 66 N 0.69 0.06 -0.40 3.99 0.13 -1.94 -2.47 132.00 132.05 3i6e h PRO 66 Ca -0.49 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 3i6e h PRO 66 Cb 1.21 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 3i6e h PRO 66 CO 0.62 0.31 0.10 0.93 -0.23 0.00 0.00 178.00 179.73 3i6e h GLU 67 N 0.05 0.64 -0.20 0.86 3.07 -1.99 0.37 114.58 117.39 3i6e h GLU 67 Ca 0.01 -0.15 0.01 0.00 -0.50 0.00 0.00 59.36 58.72 3i6e h GLU 67 Cb 0.48 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 3i6e h GLU 67 CO 0.03 0.66 0.11 0.00 -1.40 0.00 0.00 179.01 178.41 3i6e h ALA 68 N 0.95 0.24 -0.15 3.43 0.00 -1.85 -1.05 119.26 120.83 3i6e h ALA 68 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3i6e h ALA 68 Cb 0.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3i6e h ALA 68 CO 0.00 -0.31 -0.39 0.77 0.00 0.00 0.00 179.25 179.33 3i6e h SER 69 N 0.23 0.34 -0.25 0.00 0.02 -1.34 -0.88 113.55 111.67 3i6e h SER 69 Ca 0.08 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3i6e h SER 69 Cb 0.00 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3i6e h SER 69 CO -0.04 0.71 0.13 0.22 -1.14 0.00 0.00 176.83 176.70 3i6e h TYR 70 N 0.28 0.35 -0.64 3.45 3.20 -0.54 -2.36 116.97 120.71 3i6e h TYR 70 Ca 0.03 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 3i6e h TYR 70 Cb 0.81 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 3i6e h TYR 70 CO 0.02 0.32 0.05 0.00 -1.64 0.00 0.00 178.16 176.91 3i6e h ALA 71 N 1.00 0.86 -0.57 1.82 0.00 -1.01 -0.31 119.26 121.04 3i6e h ALA 71 Ca 0.09 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.77 3i6e h ALA 71 Cb 0.10 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3i6e h ALA 71 CO -0.01 0.68 0.24 0.00 0.00 0.00 0.00 179.25 180.16 3i6e h ALA 72 N 1.02 0.74 0.14 0.00 0.00 -0.96 0.91 119.26 121.11 3i6e h ALA 72 Ca 0.19 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3i6e h ALA 72 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3i6e h ALA 72 CO 0.02 -0.15 -0.07 -0.07 0.00 0.00 0.00 179.25 178.99 3i6e h LEU 73 N 0.45 -0.16 -0.58 0.00 3.38 -1.29 0.16 115.31 117.27 3i6e h LEU 73 Ca 0.28 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.93 3i6e h LEU 73 Cb 0.28 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3i6e h LEU 73 CO -0.25 0.43 0.31 -0.78 0.09 0.00 0.00 178.44 178.24 3i6e h ASP 74 N -0.89 0.45 0.00 -0.43 3.58 -0.95 -1.50 116.42 116.68 3i6e h ASP 74 Ca -0.02 0.03 -0.32 0.00 0.42 0.00 0.00 57.03 57.14 3i6e h ASP 74 Cb 0.52 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.46 3i6e h ASP 74 CO 0.03 0.30 -2.18 -1.14 -2.88 0.00 0.00 179.24 173.37 3i6e n ARG 75 N -4.84 0.50 -0.00 0.28 0.63 0.30 -4.50 116.66 109.03 3i6e n ARG 75 Ca 0.06 0.14 -0.15 0.00 -0.92 0.00 0.00 57.85 56.99 3i6e n ARG 75 Cb 0.16 -1.37 -0.14 0.00 0.45 0.00 0.00 32.46 31.55 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 -0.21 0.25 0.00 -0.14 0.05 -1.43 -3.40 116.97 112.09 3i6e h TYR 76 Ca -0.48 -0.19 -0.22 0.00 0.05 0.00 0.00 58.73 57.89 3i6e h TYR 76 Cb 1.65 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 39.34 3i6e h TYR 76 CO -0.00 1.38 -1.81 1.28 -1.05 0.00 0.00 178.16 177.95 3i6e n LEU 77 N -3.28 0.51 -0.08 3.88 4.77 0.54 -4.42 117.00 118.93 3i6e n LEU 77 Ca -0.23 0.23 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 3i6e n LEU 77 Cb 1.05 0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 42.31 3i6e n LEU 77 CO 0.45 0.26 0.63 -0.09 -1.33 0.00 0.00 177.39 177.31 3i6e h ARG 78 N 0.00 -0.31 0.00 3.23 2.43 -1.49 0.05 114.38 118.29 3i6e h ARG 78 Ca -0.27 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3i6e h ARG 78 Cb 1.76 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 31.38 3i6e h ARG 78 CO 0.04 -0.21 -0.01 -1.00 -1.51 0.00 0.00 179.97 177.29 3i6e h PRO 79 N -0.32 0.00 0.00 0.20 0.13 -1.79 -0.10 132.00 130.12 3i6e h PRO 79 Ca 0.14 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.06 3i6e h PRO 79 Cb 0.55 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.65 3i6e h PRO 79 CO -0.48 0.01 -1.06 1.25 -0.23 0.00 0.00 178.00 177.48 3i6e h LEU 80 N 0.00 0.00 0.03 1.56 5.85 -1.25 -3.39 115.31 118.11 3i6e h LEU 80 Ca -0.00 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.36 3i6e h LEU 80 Cb 0.03 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 3i6e h LEU 80 CO 0.00 0.94 -2.06 0.52 -0.34 0.00 0.00 178.44 177.50 3i6e n VAL 81 N -3.28 1.58 -1.67 1.05 0.31 -0.49 -4.76 118.33 111.07 3i6e n VAL 81 Ca -0.03 -0.39 -0.46 0.00 -0.01 0.00 0.00 64.34 63.45 3i6e n VAL 81 Cb 0.93 -1.79 -0.04 0.00 -0.91 0.00 0.00 33.84 32.03 3i6e n VAL 81 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3i6e n ILE 82 N -3.91 0.21 -0.14 2.52 2.08 -0.15 -1.22 119.36 118.74 3i6e n ILE 82 Ca -0.42 -0.04 0.00 0.00 0.56 0.00 0.00 62.75 62.86 3i6e n ILE 82 Cb 0.89 -1.69 0.00 0.00 -0.75 0.00 0.00 39.64 38.09 3i6e n ILE 82 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i6e n GLY 83 N 3.78 1.21 3.87 7.39 0.00 0.71 -4.94 105.19 117.21 3i6e n GLY 83 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.53 3.75 0.18 1.61 1.81 -0.36 -4.67 118.95 120.74 3i6e s ARG 84 Ca 0.00 0.61 -0.30 0.00 -1.72 0.00 0.00 55.73 54.32 3i6e s ARG 84 Cb 0.00 -2.26 -0.07 0.00 -0.45 0.00 0.00 34.95 32.16 3i6e s ARG 84 CO 0.00 -0.23 0.96 1.03 -0.68 0.00 0.00 175.30 176.38 3i6e s ARG 85 N -4.30 4.77 0.38 3.54 0.52 -1.26 -0.85 118.95 121.75 3i6e s ARG 85 Ca 0.53 1.49 0.13 0.00 -0.52 0.00 0.00 55.73 57.36 3i6e s ARG 85 Cb -0.10 -3.32 0.94 0.00 0.52 0.00 0.00 34.95 32.98 3i6e s ARG 85 CO 0.38 0.35 1.85 0.28 0.02 0.00 0.00 175.30 178.18 3i6e h VAL 86 N 3.59 0.74 0.00 3.52 2.07 -1.02 -1.27 116.25 123.89 3i6e h VAL 86 Ca -0.44 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3i6e h VAL 86 Cb 1.21 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3i6e h VAL 86 CO 0.70 0.10 0.00 0.61 0.02 0.00 0.00 177.57 179.00 3i6e n GLY 87 N -1.46 -1.10 1.67 2.17 0.00 -0.63 -3.23 105.19 102.61 3i6e n GLY 87 Ca 0.19 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.65 3.57 -0.27 1.61 8.00 -0.48 -4.59 116.55 122.75 3i6e n ASP 88 Ca 0.04 -2.89 0.08 0.00 0.71 0.00 0.00 54.79 52.72 3i6e n ASP 88 Cb 0.20 -0.69 0.22 0.00 -0.02 0.00 0.00 41.12 40.83 3i6e n ASP 88 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3i6e h ARG 89 N 1.05 0.35 -0.33 -1.24 2.43 -1.74 0.17 114.38 115.06 3i6e h ARG 89 Ca 0.30 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.50 3i6e h ARG 89 Cb 1.99 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 31.41 3i6e h ARG 89 CO 0.60 0.23 0.07 0.28 -1.51 0.00 0.00 179.97 179.64 3i6e h VAL 90 N 0.36 0.84 -0.28 0.20 2.07 -1.92 0.13 116.25 117.65 3i6e h VAL 90 Ca 0.46 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.89 3i6e h VAL 90 Cb 0.78 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3i6e h VAL 90 CO -0.49 0.04 0.09 0.00 0.02 0.00 0.00 177.57 177.23 3i6e h ALA 91 N 1.25 0.37 -0.70 1.67 0.00 -1.64 -1.47 119.26 118.74 3i6e h ALA 91 Ca 0.16 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3i6e h ALA 91 Cb 0.17 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3i6e h ALA 91 CO -0.20 -0.00 0.41 0.82 0.00 0.00 0.00 179.25 180.27 3i6e h ILE 92 N 0.30 1.00 -0.00 0.00 2.04 -0.44 -0.81 117.51 119.60 3i6e h ILE 92 Ca 0.09 -0.26 -0.16 0.00 1.00 0.00 0.00 64.86 65.54 3i6e h ILE 92 Cb 0.23 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 3i6e h ILE 92 CO -0.00 0.14 -0.74 0.24 0.00 0.00 0.00 178.15 177.79 3i6e h MET 93 N 0.76 0.00 -0.11 2.37 2.86 -0.64 0.46 114.93 120.64 3i6e h MET 93 Ca 0.31 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.93 3i6e h MET 93 Cb 0.15 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 3i6e h MET 93 CO -0.16 0.74 0.01 0.22 1.06 0.00 0.00 176.91 178.77 3i6e h ASP 94 N 0.00 0.18 -0.54 1.22 3.58 -0.78 -1.94 116.42 118.15 3i6e h ASP 94 Ca -0.01 -0.29 -0.10 0.00 0.42 0.00 0.00 57.03 57.05 3i6e h ASP 94 Cb 1.31 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 3i6e h ASP 94 CO 0.10 0.43 -0.05 -0.33 -2.88 0.00 0.00 179.24 176.51 3i6e h GLU 95 N -0.07 1.00 -0.97 0.28 5.08 -1.14 -3.12 114.58 115.64 3i6e h GLU 95 Ca 0.03 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.09 3i6e h GLU 95 Cb 0.33 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 3i6e h GLU 95 CO 0.00 1.01 0.64 0.00 -1.00 0.00 0.00 179.01 179.67 3i6e h ALA 96 N 1.02 1.36 -0.40 3.43 0.00 -0.71 0.32 119.26 124.28 3i6e h ALA 96 Ca 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3i6e h ALA 96 Cb 0.60 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3i6e h ALA 96 CO 0.04 0.55 0.13 0.00 0.00 0.00 0.00 179.25 179.97 3i6e h ALA 97 N 1.43 1.47 0.00 0.00 0.00 -1.28 -2.84 119.26 118.03 3i6e h ALA 97 Ca 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3i6e h ALA 97 Cb -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3i6e h ALA 97 CO -0.11 0.40 -0.89 0.00 0.00 0.00 0.00 179.25 178.65 3i6e h ARG 98 N 0.58 0.00 0.00 0.00 3.08 -1.43 -3.37 114.38 113.23 3i6e h ARG 98 Ca 0.14 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 3i6e h ARG 98 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 3i6e h ARG 98 CO -0.01 0.00 -0.14 0.00 -1.07 0.00 0.00 179.97 178.76 3i6e h ALA 99 N 2.09 1.02 -2.62 0.04 0.00 -0.70 -3.44 119.26 115.65 3i6e h ALA 99 Ca 0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 3i6e h ALA 99 Cb 0.95 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.49 3i6e h ALA 99 CO 0.00 0.17 -0.18 0.54 0.00 0.00 0.00 179.25 179.78 3i6e s VAL 100 N -3.65 0.00 0.35 0.00 0.11 -1.24 -4.95 120.40 111.02 3i6e s VAL 100 Ca 0.01 -0.04 -0.25 0.00 -2.93 0.00 0.00 61.98 58.77 3i6e s VAL 100 Cb 0.10 -0.64 -0.10 0.00 -1.53 0.00 0.00 36.38 34.21 3i6e s VAL 100 CO 0.60 -0.02 0.98 0.00 -3.33 0.00 0.00 175.10 173.33 3i6e s ALA 101 N 0.08 3.18 0.00 1.54 0.00 -1.26 -4.84 121.76 120.46 3i6e s ALA 101 Ca -0.01 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.53 3i6e s ALA 101 Cb -0.03 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3i6e s ALA 101 CO 0.01 0.06 0.00 0.72 0.00 0.00 0.00 175.76 176.55 3i6e n HIS 102 N 0.36 0.00 -3.91 0.00 8.25 -1.26 -4.88 115.22 113.78 3i6e n HIS 102 Ca 0.03 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.22 3i6e n HIS 102 Cb 0.50 0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.65 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 -1.85 0.36 -0.28 0.00 1.35 -1.87 -1.63 112.91 108.99 3i6e h THR 104 Ca -0.61 -0.70 -0.06 0.00 -0.55 0.00 0.00 66.41 64.49 3i6e h THR 104 Cb 1.37 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 69.30 3i6e h THR 104 CO 0.64 0.11 -0.06 -0.33 -0.25 0.00 0.00 175.52 175.63 3i6e h GLU 105 N 0.00 0.53 -0.75 4.72 3.07 -1.84 0.46 114.58 120.77 3i6e h GLU 105 Ca -0.00 -0.20 -0.05 0.00 -0.50 0.00 0.00 59.36 58.61 3i6e h GLU 105 Cb 0.51 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.35 3i6e h GLU 105 CO 0.01 0.73 0.28 0.00 -1.40 0.00 0.00 179.01 178.64 3i6e h ALA 106 N 0.78 0.98 -0.34 3.43 0.00 -1.74 -0.30 119.26 122.06 3i6e h ALA 106 Ca 0.07 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3i6e h ALA 106 Cb 0.53 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3i6e h ALA 106 CO 0.03 0.62 -0.13 0.87 0.00 0.00 0.00 179.25 180.64 3i6e h LYS 107 N 1.09 0.60 -0.29 0.00 1.57 -1.13 -0.79 116.57 117.62 3i6e h LYS 107 Ca 0.25 -0.19 -0.13 0.00 -1.87 0.00 0.00 60.65 58.71 3i6e h LYS 107 Cb 0.24 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3i6e h LYS 107 CO -0.02 0.71 -0.34 0.00 -0.57 0.00 0.00 179.45 179.24 3i6e h ALA 108 N 1.32 0.86 -0.49 3.86 0.00 -0.33 -1.60 119.26 122.87 3i6e h ALA 108 Ca 0.10 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 3i6e h ALA 108 Cb 0.54 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3i6e h ALA 108 CO 0.03 0.64 0.03 0.00 0.00 0.00 0.00 179.25 179.95 3i6e h ALA 109 N 1.08 0.66 -0.21 0.00 0.00 -0.47 -0.97 119.26 119.34 3i6e h ALA 109 Ca 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3i6e h ALA 109 Cb 0.84 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3i6e h ALA 109 CO 0.07 0.44 0.11 1.25 0.00 0.00 0.00 179.25 181.12 3i6e h LEU 110 N 0.71 0.27 -0.84 0.00 5.85 -0.98 -0.58 115.31 119.74 3i6e h LEU 110 Ca 0.14 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3i6e h LEU 110 Cb 0.47 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 3i6e h LEU 110 CO 0.02 0.29 0.55 -0.78 -0.34 0.00 0.00 178.44 178.18 3i6e h ASP 111 N 0.23 0.98 -0.31 1.25 3.58 -1.13 0.61 116.42 121.62 3i6e h ASP 111 Ca 0.07 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 3i6e h ASP 111 Cb 0.08 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 3i6e h ASP 111 CO -0.01 0.72 0.16 0.28 -2.88 0.00 0.00 179.24 177.50 3i6e h SER 112 N 1.15 0.41 -0.63 2.28 0.02 -0.84 -0.58 113.55 115.36 3i6e h SER 112 Ca 0.31 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 3i6e h SER 112 Cb -0.12 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 3i6e h SER 112 CO -0.07 0.40 0.14 0.00 -1.14 0.00 0.00 176.83 176.17 3i6e h ALA 113 N 1.02 0.84 -0.50 3.77 0.00 -0.72 0.26 119.26 123.93 3i6e h ALA 113 Ca 0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3i6e h ALA 113 Cb 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3i6e h ALA 113 CO -0.01 0.56 0.31 -0.07 0.00 0.00 0.00 179.25 180.03 3i6e h LEU 114 N 0.94 0.59 -0.26 0.00 3.38 -0.63 0.10 115.31 119.43 3i6e h LEU 114 Ca 0.20 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 3i6e h LEU 114 Cb 0.38 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3i6e h LEU 114 CO 0.00 0.46 -0.31 -0.07 0.09 0.00 0.00 178.44 178.62 3i6e h LEU 115 N 0.67 0.72 -0.94 1.67 3.38 -0.88 -1.25 115.31 118.68 3i6e h LEU 115 Ca 0.18 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.67 3i6e h LEU 115 Cb -0.02 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 3i6e h LEU 115 CO -0.03 1.07 0.62 -0.78 0.09 0.00 0.00 178.44 179.40 3i6e h ASP 116 N 0.40 1.07 -0.21 -0.43 3.58 -0.31 0.66 116.42 121.18 3i6e h ASP 116 Ca 0.04 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.43 3i6e h ASP 116 Cb 0.88 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 3i6e h ASP 116 CO 0.07 0.77 0.01 0.25 -2.88 0.00 0.00 179.24 177.47 3i6e h LEU 117 N 1.27 0.35 -0.90 2.28 5.85 -0.69 -1.61 115.31 121.86 3i6e h LEU 117 Ca 0.35 -0.29 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3i6e h LEU 117 Cb -0.13 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 3i6e h LEU 117 CO -0.08 0.55 0.12 0.00 -0.34 0.00 0.00 178.44 178.70 3i6e h ALA 118 N 0.81 1.10 -0.54 1.25 0.00 -0.90 -1.26 119.26 119.71 3i6e h ALA 118 Ca 0.06 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3i6e h ALA 118 Cb 0.37 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3i6e h ALA 118 CO 0.01 0.60 0.06 0.78 0.00 0.00 0.00 179.25 180.70 3i6e h GLY 119 N 1.02 0.94 0.69 0.00 0.00 -0.74 -1.08 103.07 103.90 3i6e h GLY 119 Ca 0.19 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 3i6e h GLY 119 CO 0.00 0.56 -0.00 3.21 0.00 0.00 0.00 176.54 180.30 3i6e h ARG 120 N 0.82 0.08 -0.17 4.80 2.47 -0.86 0.41 114.38 121.93 3i6e h ARG 120 Ca 0.17 -0.03 0.04 0.00 -1.26 0.00 0.00 59.98 58.90 3i6e h ARG 120 Cb 0.40 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.68 3i6e h ARG 120 CO 0.01 0.39 -0.06 0.82 0.56 0.00 0.00 179.97 181.69 3i6e h ILE 121 N -0.24 0.79 -0.01 2.04 1.08 -1.08 -2.75 117.51 117.34 3i6e h ILE 121 Ca 0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 3i6e h ILE 121 Cb 0.36 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 3i6e h ILE 121 CO 0.00 0.00 -0.14 -1.54 -0.69 0.00 0.00 178.15 175.78 3i6e n SER 122 N -5.20 1.03 -2.93 1.72 3.41 -0.42 -4.95 113.62 106.28 3i6e n SER 122 Ca -0.03 -1.03 -0.13 0.00 -0.26 0.00 0.00 58.87 57.42 3i6e n SER 122 Cb 0.13 0.05 0.07 0.00 -0.26 0.00 0.00 64.21 64.20 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 -0.46 -2.51 -4.03 4.04 5.15 0.59 -5.04 115.26 113.00 3i6e n ASN 123 Ca 0.15 -0.50 -0.14 0.00 -0.60 0.00 0.00 54.58 53.49 3i6e n ASN 123 Cb 0.33 -4.19 -0.12 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 -5.39 2.17 0.65 1.20 1.43 0.11 -4.83 118.68 114.02 3i6e s LEU 124 Ca 0.05 -0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 52.61 3i6e s LEU 124 Cb -0.01 -0.22 -0.01 0.00 0.03 0.00 0.00 46.19 45.98 3i6e s LEU 124 CO 0.58 -0.11 1.07 -2.16 0.23 0.00 0.00 176.35 175.97 3i6e s PRO 125 N -1.10 3.03 0.27 1.29 0.04 -1.21 -0.59 135.00 136.73 3i6e s PRO 125 Ca -0.06 1.17 -0.03 0.00 0.04 0.00 0.00 61.00 62.13 3i6e s PRO 125 Cb -0.07 -1.99 0.39 0.00 0.04 0.00 0.00 34.50 32.87 3i6e s PRO 125 CO 0.00 -1.04 1.91 0.28 0.04 0.00 0.00 177.00 178.19 3i6e h VAL 126 N -0.07 1.15 -0.23 -0.36 2.07 -1.55 -1.44 116.25 115.82 3i6e h VAL 126 Ca -0.46 -0.41 0.07 0.00 0.82 0.00 0.00 66.70 66.72 3i6e h VAL 126 Cb 1.22 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3i6e h VAL 126 CO 0.56 0.22 0.19 4.11 0.02 0.00 0.00 177.57 182.67 3i6e h TRP 127 N 1.20 0.00 0.00 1.57 5.08 -1.87 0.23 115.95 122.17 3i6e h TRP 127 Ca 0.39 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.36 3i6e h TRP 127 Cb 0.03 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.19 3i6e h TRP 127 CO -0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 3i6e h ALA 128 N 1.84 1.00 -0.02 0.11 0.00 -1.51 -1.02 119.26 119.66 3i6e h ALA 128 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3i6e h ALA 128 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3i6e h ALA 128 CO -0.00 0.00 -0.21 1.28 0.00 0.00 0.00 179.25 180.32 3i6e n LEU 129 N -2.58 2.38 -0.94 0.00 4.77 0.80 -4.04 117.00 117.40 3i6e n LEU 129 Ca 0.02 -0.82 0.08 0.00 -0.03 0.00 0.00 56.01 55.25 3i6e n LEU 129 Cb 0.26 -0.01 0.23 0.00 -2.33 0.00 0.00 43.42 41.57 3i6e n LEU 129 CO 0.23 0.41 0.69 0.18 -1.33 0.00 0.00 177.39 177.57 3i6e n LEU 130 N 0.59 3.46 0.00 2.23 4.32 -0.49 -4.94 117.00 122.17 3i6e n LEU 130 Ca 0.12 -2.14 0.00 0.00 -0.02 0.00 0.00 56.01 53.97 3i6e n LEU 130 Cb 0.51 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 3i6e n LEU 130 CO 0.21 0.80 0.00 0.61 -1.22 0.00 0.00 177.39 177.79 3i6e n GLY 131 N 0.76 1.39 0.00 -0.72 0.00 -1.16 -4.92 105.19 100.54 3i6e n GLY 131 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.75 0.12 3.28 -0.02 0.00 -0.62 -5.01 105.19 102.19 3i6e n GLY 132 Ca 0.00 -2.29 -0.21 0.00 0.00 0.00 0.00 46.02 43.52 3i6e n GLY 132 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i6e s LYS 133 N 0.00 1.12 0.00 1.61 -2.85 -1.26 -3.95 119.74 114.41 3i6e s LYS 133 Ca 0.00 -1.24 0.00 0.00 -1.00 0.00 0.00 55.97 53.73 3i6e s LYS 133 Cb 0.00 -1.20 0.00 0.00 -2.06 0.00 0.00 37.83 34.57 3i6e s LYS 133 CO 0.00 0.26 0.20 0.00 0.10 0.00 0.00 175.35 175.91 3i6e s ARG 135 N -0.39 0.70 -0.01 0.00 1.70 -1.24 -5.04 118.95 114.66 3i6e s ARG 135 Ca 0.00 0.07 0.22 0.00 -0.47 0.00 0.00 55.73 55.54 3i6e s ARG 135 Cb 0.00 0.32 -0.27 0.00 -0.57 0.00 0.00 34.95 34.43 3i6e s ARG 135 CO 0.00 -0.18 0.71 -0.25 -1.08 0.00 0.00 175.30 174.50 3i6e n ASP 136 N 1.57 0.50 -4.10 -2.89 8.00 -1.26 -4.84 116.55 113.54 3i6e n ASP 136 Ca -0.19 -0.48 -0.09 0.00 0.71 0.00 0.00 54.79 54.74 3i6e n ASP 136 Cb 0.56 1.47 -0.09 0.00 -0.02 0.00 0.00 41.12 43.04 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 -3.26 0.12 -0.04 -3.53 -4.23 -1.26 -1.44 115.64 102.00 3i6e s THR 137 Ca 0.00 -1.79 -0.01 0.00 -1.18 0.00 0.00 61.69 58.72 3i6e s THR 137 Cb 0.15 -1.91 0.03 0.00 1.34 0.00 0.00 72.50 72.11 3i6e s THR 137 CO 0.89 -0.53 0.02 -0.63 -0.54 0.00 0.00 174.62 173.83 3i6e s ILE 138 N -4.01 0.10 0.18 2.99 1.01 -0.31 -4.92 121.20 116.24 3i6e s ILE 138 Ca 0.20 0.20 -0.33 0.00 0.00 0.00 0.00 60.65 60.72 3i6e s ILE 138 Cb 0.07 -0.25 -0.13 0.00 0.01 0.00 0.00 42.46 42.15 3i6e s ILE 138 CO -0.01 0.17 1.63 -2.65 0.00 0.00 0.00 174.94 174.07 3i6e n PRO 139 N 4.63 2.37 -3.80 2.79 -0.02 -1.26 0.12 135.00 139.83 3i6e n PRO 139 Ca -0.17 0.86 -0.37 0.00 -2.02 0.00 0.00 63.50 61.80 3i6e n PRO 139 Cb 0.50 -2.65 -0.06 0.00 -0.02 0.00 0.00 33.50 31.27 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 0.97 4.38 -0.05 2.45 2.96 -0.49 -1.21 118.68 127.69 3i6e s LEU 140 Ca 0.77 0.52 0.05 0.00 -0.22 0.00 0.00 54.13 55.25 3i6e s LEU 140 Cb -0.62 -2.15 -0.02 0.00 0.50 0.00 0.00 46.19 43.90 3i6e s LEU 140 CO 0.36 0.37 -0.20 -0.55 -1.32 0.00 0.00 176.35 175.01 3i6e s SER 141 N -0.86 3.53 -0.09 3.68 0.15 0.17 -3.64 113.70 116.64 3i6e s SER 141 Ca 0.16 -0.35 0.02 0.00 0.70 0.00 0.00 55.95 56.48 3i6e s SER 141 Cb -0.13 -0.73 -0.02 0.00 -1.71 0.00 0.00 66.02 63.44 3i6e s SER 141 CO 0.05 0.31 -0.15 0.00 1.20 0.00 0.00 173.24 174.64 3i6e s SER 143 N -0.11 7.22 -0.41 0.00 0.01 -1.26 -1.64 113.70 117.50 3i6e s SER 143 Ca -0.02 1.77 -0.01 0.00 1.31 0.00 0.00 55.95 59.00 3i6e s SER 143 Cb -0.14 -2.56 0.11 0.00 0.21 0.00 0.00 66.02 63.65 3i6e s SER 143 CO 0.04 -0.13 0.20 -0.63 0.41 0.00 0.00 173.24 173.12 3i6e s ILE 144 N -1.75 3.12 -0.03 1.44 -1.09 0.67 -4.86 121.20 118.71 3i6e s ILE 144 Ca 0.53 -2.20 0.04 0.00 -2.23 0.00 0.00 60.65 56.78 3i6e s ILE 144 Cb -0.16 -3.16 0.06 0.00 -1.58 0.00 0.00 42.46 37.62 3i6e s ILE 144 CO 0.21 -0.69 0.94 0.00 -1.23 0.00 0.00 174.94 174.17 3i6e n ALA 145 N 4.42 1.87 -2.62 9.38 0.00 -1.26 -0.92 120.51 131.37 3i6e n ALA 145 Ca -0.00 -1.23 -0.42 0.00 0.00 0.00 0.00 53.44 51.79 3i6e n ALA 145 Cb 0.41 -0.35 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.19 7.25 0.61 0.00 3.84 -1.26 -4.89 114.94 119.30 3i6e s ASN 146 Ca 0.06 1.71 0.37 0.00 0.21 0.00 0.00 52.86 55.22 3i6e s ASN 146 Cb 0.05 -2.57 2.00 0.00 -0.55 0.00 0.00 41.25 40.19 3i6e s ASN 146 CO 0.01 -0.38 2.25 1.55 -2.79 0.00 0.00 177.10 177.74 3i6e h PRO 147 N 6.94 0.00 -3.88 0.43 0.13 -2.00 -3.24 132.00 130.37 3i6e h PRO 147 Ca -0.38 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 63.97 3i6e h PRO 147 Cb 1.20 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.07 3i6e h PRO 147 CO 0.80 0.02 0.04 0.34 -0.23 0.00 0.00 178.00 178.97 3i6e s ASP 148 N -5.61 6.65 0.43 1.44 2.15 -1.26 -4.92 116.67 115.55 3i6e s ASP 148 Ca -0.04 -2.52 0.10 0.00 0.43 0.00 0.00 52.55 50.52 3i6e s ASP 148 Cb 0.13 -2.21 0.95 0.00 -0.30 0.00 0.00 42.92 41.49 3i6e s ASP 148 CO 0.49 -0.63 2.04 0.15 -0.17 0.00 0.00 175.17 177.04 3i6e h PHE 149 N 7.99 0.45 -0.87 -5.34 3.57 -1.99 -1.93 116.94 118.83 3i6e h PHE 149 Ca 0.03 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.63 3i6e h PHE 149 Cb 1.05 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.58 3i6e h PHE 149 CO 0.98 0.26 0.56 -0.44 -2.23 0.00 0.00 178.31 177.44 3i6e h ASP 150 N 0.47 0.80 -0.15 0.41 3.32 -1.91 0.98 116.42 120.33 3i6e h ASP 150 Ca 0.19 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.19 3i6e h ASP 150 Cb 0.16 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3i6e h ASP 150 CO -0.05 0.49 -0.11 0.00 -1.72 0.00 0.00 179.24 177.85 3i6e h ALA 151 N 1.55 1.27 -0.02 3.45 0.00 -1.75 -2.46 119.26 121.31 3i6e h ALA 151 Ca 0.39 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 3i6e h ALA 151 Cb 0.35 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3i6e h ALA 151 CO -0.16 0.48 -0.74 -0.44 0.00 0.00 0.00 179.25 178.40 3i6e h ASP 152 N 0.46 0.16 -0.71 0.00 3.32 -0.89 -1.80 116.42 116.96 3i6e h ASP 152 Ca 0.09 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 3i6e h ASP 152 Cb 0.46 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 3i6e h ASP 152 CO 0.03 0.84 0.35 0.40 -1.72 0.00 0.00 179.24 179.13 3i6e h ILE 153 N 0.08 1.23 -0.37 0.35 2.04 -0.57 0.67 117.51 120.94 3i6e h ILE 153 Ca -0.02 -0.64 -0.09 0.00 1.00 0.00 0.00 64.86 65.12 3i6e h ILE 153 Cb 1.30 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3i6e h ILE 153 CO 0.11 0.27 -0.14 0.00 0.00 0.00 0.00 178.15 178.39 3i6e h ALA 154 N 1.17 1.07 -0.31 1.87 0.00 -1.34 -1.09 119.26 120.62 3i6e h ALA 154 Ca 0.25 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3i6e h ALA 154 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3i6e h ALA 154 CO -0.03 0.57 0.03 1.25 0.00 0.00 0.00 179.25 181.07 3i6e h LEU 155 N 0.60 0.51 -1.45 0.00 5.85 -0.30 -2.64 115.31 117.88 3i6e h LEU 155 Ca 0.10 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 3i6e h LEU 155 Cb 0.58 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3i6e h LEU 155 CO 0.04 0.66 0.04 0.24 -0.34 0.00 0.00 178.44 179.07 3i6e h MET 156 N 0.34 0.39 -0.51 1.25 2.86 0.69 0.90 114.93 120.86 3i6e h MET 156 Ca 0.09 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 3i6e h MET 156 Cb 0.38 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3i6e h MET 156 CO 0.01 0.39 0.25 0.93 1.06 0.00 0.00 176.91 179.56 3i6e h GLU 157 N 0.39 0.72 -0.37 1.72 4.39 -1.00 0.03 114.58 120.46 3i6e h GLU 157 Ca 0.09 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 3i6e h GLU 157 Cb 0.20 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3i6e h GLU 157 CO 0.00 0.59 -0.01 -0.09 -1.16 0.00 0.00 179.01 178.34 3i6e h ARG 158 N 0.68 0.67 -0.37 2.33 2.43 -0.95 -1.86 114.38 117.30 3i6e h ARG 158 Ca 0.18 -0.22 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3i6e h ARG 158 Cb 0.10 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3i6e h ARG 158 CO -0.02 0.78 0.22 -0.07 -1.51 0.00 0.00 179.97 179.36 3i6e h LEU 159 N 0.48 0.36 -1.11 3.80 3.38 -0.55 0.13 115.31 121.81 3i6e h LEU 159 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3i6e h LEU 159 Cb 0.48 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3i6e h LEU 159 CO 0.02 0.26 0.44 -0.09 0.09 0.00 0.00 178.44 179.16 3i6e h ARG 160 N 0.45 1.06 -0.40 1.13 2.43 -0.93 -0.87 114.38 117.25 3i6e h ARG 160 Ca 0.14 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 3i6e h ARG 160 Cb -0.00 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 3i6e h ARG 160 CO -0.06 0.76 -0.18 0.00 -1.51 0.00 0.00 179.97 178.98 3i6e h ALA 161 N 1.42 0.93 0.00 2.80 0.00 -0.51 -2.72 119.26 121.17 3i6e h ALA 161 Ca 0.28 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3i6e h ALA 161 Cb -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3i6e h ALA 161 CO -0.05 0.62 0.00 -0.25 0.00 0.00 0.00 179.25 179.57 3i6e n ASP 162 N -4.13 0.00 0.00 0.00 8.00 0.38 -4.89 116.55 115.90 3i6e n ASP 162 Ca 0.01 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.39 3i6e n ASP 162 Cb 0.40 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 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 1.08 0.79 3.71 0.44 0.00 -0.81 -3.13 105.19 107.28 3i6e n GLY 163 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.15 3.57 -1.40 1.61 1.01 -0.40 -3.55 120.40 119.10 3i6e s VAL 164 Ca 0.00 1.10 0.11 0.00 0.00 0.00 0.00 61.98 63.20 3i6e s VAL 164 Cb 0.00 -3.71 0.10 0.00 0.00 0.00 0.00 36.38 32.77 3i6e s VAL 164 CO 0.00 0.07 0.88 0.61 0.00 0.00 0.00 175.10 176.66 3i6e n GLY 165 N 3.46 -0.16 3.10 4.51 0.00 -1.26 -4.43 105.19 110.40 3i6e n GLY 165 Ca 0.11 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.95 2.05 0.03 0.99 1.43 -1.24 -1.12 118.68 119.87 3i6e s LEU 166 Ca 0.14 -0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3i6e s LEU 166 Cb 0.10 -0.65 -0.02 0.00 0.03 0.00 0.00 46.19 45.65 3i6e s LEU 166 CO 0.14 0.13 0.01 0.27 0.23 0.00 0.00 176.35 177.14 3i6e s ILE 167 N -0.41 0.13 -0.15 -0.59 -4.36 -0.98 -1.92 121.20 112.91 3i6e s ILE 167 Ca 0.04 -1.05 0.00 0.00 -0.26 0.00 0.00 60.65 59.38 3i6e s ILE 167 Cb -0.06 -0.58 0.03 0.00 1.25 0.00 0.00 42.46 43.10 3i6e s ILE 167 CO -0.00 -0.58 -0.11 -0.75 0.24 0.00 0.00 174.94 173.74 3i6e s LYS 168 N -2.02 1.94 -0.27 0.37 2.20 -0.65 -1.09 119.74 120.21 3i6e s LYS 168 Ca -0.10 -0.53 -0.28 0.00 -0.36 0.00 0.00 55.97 54.70 3i6e s LYS 168 Cb -0.05 -2.02 0.01 0.00 -1.51 0.00 0.00 37.83 34.25 3i6e s LYS 168 CO -0.03 -0.31 0.99 -1.17 -0.36 0.00 0.00 175.35 174.48 3i6e s LEU 169 N 1.55 4.05 -0.23 5.43 2.96 0.51 -0.24 118.68 132.71 3i6e s LEU 169 Ca 0.03 1.16 -0.29 0.00 -0.22 0.00 0.00 54.13 54.81 3i6e s LEU 169 Cb -0.14 -3.44 -0.00 0.00 0.50 0.00 0.00 46.19 43.11 3i6e s LEU 169 CO -0.09 -0.70 1.17 -0.75 -1.32 0.00 0.00 176.35 174.66 3i6e s LYS 170 N 3.25 4.17 0.41 1.98 2.20 -0.09 -1.48 119.74 130.18 3i6e s LYS 170 Ca 0.42 1.43 0.07 0.00 -0.36 0.00 0.00 55.97 57.53 3i6e s LYS 170 Cb -0.14 -3.74 -0.07 0.00 -1.51 0.00 0.00 37.83 32.37 3i6e s LYS 170 CO 0.10 -0.77 0.07 0.95 -0.36 0.00 0.00 175.35 175.33 3i6e s THR 171 N 3.56 2.08 0.00 3.43 -4.23 0.06 -4.79 115.64 115.75 3i6e s THR 171 Ca 0.50 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 3i6e s THR 171 Cb -0.18 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.68 3i6e s THR 171 CO 0.13 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 3i6e n GLY 172 N -1.06 2.87 0.06 3.99 0.00 -1.26 -4.25 105.19 105.54 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 1.97 0.00 0.00 0.00 173.32 175.29 3i6e n PHE 173 N -2.00 0.51 -3.24 1.61 1.16 -1.26 -4.79 117.46 109.45 3i6e n PHE 173 Ca 0.00 0.16 0.00 0.00 -1.87 0.00 0.00 57.45 55.74 3i6e n PHE 173 Cb 0.00 -0.77 0.00 0.00 -1.61 0.00 0.00 39.48 37.10 3i6e n PHE 173 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3i6e n ARG 174 N -1.93 1.49 -1.36 3.97 1.74 -1.26 -5.15 116.66 114.16 3i6e n ARG 174 Ca 0.05 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.83 3i6e n ARG 174 Cb 0.33 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.87 3i6e n ARG 174 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 3i6e s ASP 175 N 0.52 4.14 0.22 0.55 1.47 -1.26 -4.95 116.67 117.37 3i6e s ASP 175 Ca 0.00 1.49 -0.08 0.00 1.18 0.00 0.00 52.55 55.14 3i6e s ASP 175 Cb 0.00 -2.21 0.25 0.00 -0.34 0.00 0.00 42.92 40.62 3i6e s ASP 175 CO 0.00 -2.22 1.86 -0.74 0.68 0.00 0.00 175.17 174.75 3i6e h HIS 176 N -1.26 0.94 -0.91 2.11 -0.00 -2.01 -2.41 115.15 111.61 3i6e h HIS 176 Ca -0.47 0.03 0.15 0.00 -0.00 0.00 0.00 60.37 60.07 3i6e h HIS 176 Cb 1.26 -0.31 -0.07 0.00 -0.00 0.00 0.00 27.41 28.29 3i6e h HIS 176 CO 0.48 0.52 0.59 0.00 -0.00 0.00 0.00 177.93 179.52 3i6e h ALA 177 N 1.35 1.81 -0.23 5.26 0.00 -2.00 -0.13 119.26 125.32 3i6e h ALA 177 Ca 0.33 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 3i6e h ALA 177 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3i6e h ALA 177 CO -0.13 -0.06 -0.11 0.35 0.00 0.00 0.00 179.25 179.30 3i6e h PHE 178 N 0.72 0.39 -0.09 0.00 3.57 -1.80 0.16 116.94 119.90 3i6e h PHE 178 Ca 0.47 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.83 3i6e h PHE 178 Cb 0.73 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.37 3i6e h PHE 178 CO -0.00 0.48 -0.30 -0.44 -2.23 0.00 0.00 178.31 175.82 3i6e h ASP 179 N 0.35 0.41 -0.45 0.41 3.32 -1.04 -2.98 116.42 116.44 3i6e h ASP 179 Ca 0.07 -0.62 -0.02 0.00 0.02 0.00 0.00 57.03 56.48 3i6e h ASP 179 Cb 0.41 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3i6e h ASP 179 CO 0.02 0.96 0.19 0.40 -1.72 0.00 0.00 179.24 179.08 3i6e h ILE 180 N -0.11 1.20 -0.47 0.35 1.08 -1.22 -2.12 117.51 116.22 3i6e h ILE 180 Ca -0.01 -0.62 0.09 0.00 -0.39 0.00 0.00 64.86 63.93 3i6e h ILE 180 Cb 0.93 0.77 -0.08 0.00 -3.07 0.00 0.00 36.82 35.36 3i6e h ILE 180 CO 0.06 0.23 -0.00 -0.03 -0.69 0.00 0.00 178.15 177.72 3i6e h MET 181 N 0.59 0.11 -0.54 2.37 4.05 -1.02 -1.01 114.93 119.47 3i6e h MET 181 Ca 0.15 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.47 3i6e h MET 181 Cb 0.18 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 3i6e h MET 181 CO -0.01 0.07 -0.02 0.00 0.23 0.00 0.00 176.91 177.18 3i6e h ARG 182 N 0.11 0.97 -0.69 0.39 3.08 -1.35 -2.34 114.38 114.55 3i6e h ARG 182 Ca 0.24 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3i6e h ARG 182 Cb 0.35 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3i6e h ARG 182 CO -0.40 0.98 0.38 -0.07 -1.07 0.00 0.00 179.97 179.80 3i6e h LEU 183 N 0.85 0.87 -0.18 3.04 3.38 -0.82 -0.76 115.31 121.68 3i6e h LEU 183 Ca 0.15 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3i6e h LEU 183 Cb 0.56 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3i6e h LEU 183 CO 0.03 0.72 0.08 -0.33 0.09 0.00 0.00 178.44 179.02 3i6e h GLU 184 N 0.95 0.26 -0.55 1.13 5.08 -1.09 -1.63 114.58 118.73 3i6e h GLU 184 Ca 0.24 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 3i6e h GLU 184 Cb 0.04 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3i6e h GLU 184 CO -0.04 0.32 0.12 1.25 -1.00 0.00 0.00 179.01 179.66 3i6e h LEU 185 N 0.14 0.85 -0.53 1.33 6.46 -1.28 -1.58 115.31 120.70 3i6e h LEU 185 Ca 0.06 -0.24 0.02 0.00 -0.12 0.00 0.00 57.88 57.60 3i6e h LEU 185 Cb 0.15 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.82 3i6e h LEU 185 CO -0.01 0.87 0.33 0.40 -0.62 0.00 0.00 178.44 179.41 3i6e h ILE 186 N 0.79 1.07 -0.24 4.05 2.04 -1.05 0.31 117.51 124.48 3i6e h ILE 186 Ca 0.17 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 3i6e h ILE 186 Cb 0.36 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3i6e h ILE 186 CO 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 178.15 178.24 3i6e h ALA 187 N 1.23 1.49 0.09 1.87 0.00 -1.06 0.34 119.26 123.22 3i6e h ALA 187 Ca 0.21 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 3i6e h ALA 187 Cb -0.00 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.68 3i6e h ALA 187 CO -0.08 0.36 -0.86 -0.09 0.00 0.00 0.00 179.25 178.58 3i6e h ARG 188 N 0.36 0.20 -0.00 0.00 2.43 -0.57 -3.37 114.38 113.42 3i6e h ARG 188 Ca 0.08 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3i6e h ARG 188 Cb 0.30 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3i6e h ARG 188 CO 0.01 1.16 -0.65 -0.25 -1.51 0.00 0.00 179.97 178.74 3i6e n ASP 189 N -4.19 1.01 -2.84 -3.80 8.00 0.10 -4.66 116.55 110.18 3i6e n ASP 189 Ca -0.18 -1.01 -0.13 0.00 0.71 0.00 0.00 54.79 54.19 3i6e n ASP 189 Cb 0.76 0.85 0.01 0.00 -0.02 0.00 0.00 41.12 42.73 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 -1.03 0.89 0.38 1.24 3.72 0.12 -4.92 117.46 117.86 3i6e n PHE 190 Ca 0.04 -3.16 0.05 0.00 -0.05 0.00 0.00 57.45 54.33 3i6e n PHE 190 Cb 0.28 -0.39 0.23 0.00 -0.94 0.00 0.00 39.48 38.66 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 0.05 0.03 0.16 -1.08 -0.04 -1.18 -2.88 135.00 130.06 3i6e n PRO 191 Ca 0.15 0.30 0.01 0.00 -0.04 0.00 0.00 63.50 63.92 3i6e n PRO 191 Cb 0.76 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.99 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 0.00 -6.87 0.54 3.07 -1.91 -3.45 114.58 105.96 3i6e h GLU 192 Ca 0.00 0.00 -0.47 0.00 -0.50 0.00 0.00 59.36 58.39 3i6e h GLU 192 Cb 0.16 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 3i6e h GLU 192 CO 0.00 0.49 0.28 -0.06 -1.40 0.00 0.00 179.01 178.32 3i6e s PHE 193 N -3.88 3.54 0.12 4.33 0.08 -1.14 -4.92 117.98 116.10 3i6e s PHE 193 Ca -0.02 1.61 -0.16 0.00 0.12 0.00 0.00 56.93 58.48 3i6e s PHE 193 Cb 0.13 -2.81 -0.07 0.00 -0.57 0.00 0.00 43.02 39.70 3i6e s PHE 193 CO 0.74 0.12 0.56 1.03 -0.10 0.00 0.00 175.22 177.57 3i6e s ARG 194 N -2.48 4.06 -0.10 0.44 0.52 -0.28 -4.97 118.95 116.15 3i6e s ARG 194 Ca 0.53 0.59 0.02 0.00 -0.52 0.00 0.00 55.73 56.35 3i6e s ARG 194 Cb -0.14 -3.05 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 3i6e s ARG 194 CO 0.19 0.54 -0.17 0.08 0.02 0.00 0.00 175.30 175.97 3i6e s VAL 195 N -1.33 2.74 0.26 3.52 1.01 -1.26 -2.32 120.40 123.02 3i6e s VAL 195 Ca 0.34 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.63 3i6e s VAL 195 Cb -0.17 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3i6e s VAL 195 CO 0.19 0.55 -0.06 -0.13 0.00 0.00 0.00 175.10 175.65 3i6e s ARG 196 N 0.09 2.12 0.00 2.72 3.00 -0.25 -0.20 118.95 126.44 3i6e s ARG 196 Ca -0.08 -1.48 0.05 0.00 0.00 0.00 0.00 55.73 54.22 3i6e s ARG 196 Cb -0.15 -2.07 -0.01 0.00 0.00 0.00 0.00 34.95 32.72 3i6e s ARG 196 CO 0.05 0.36 -0.15 0.08 0.00 0.00 0.00 175.30 175.65 3i6e s VAL 197 N -2.30 1.16 -0.08 3.52 1.01 -0.42 -0.36 120.40 122.92 3i6e s VAL 197 Ca 0.30 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 3i6e s VAL 197 Cb -0.06 -0.99 0.04 0.00 0.00 0.00 0.00 36.38 35.37 3i6e s VAL 197 CO 0.18 0.24 0.09 -0.62 0.00 0.00 0.00 175.10 175.00 3i6e s ASP 198 N -0.58 1.27 0.02 3.32 -1.08 -0.55 -0.32 116.67 118.75 3i6e s ASP 198 Ca 0.05 0.01 0.26 0.00 -0.52 0.00 0.00 52.55 52.34 3i6e s ASP 198 Cb -0.06 -0.04 0.61 0.00 -1.46 0.00 0.00 42.92 41.97 3i6e s ASP 198 CO 0.00 -0.27 1.50 -1.22 0.52 0.00 0.00 175.17 175.70 3i6e n TYR 199 N 5.30 0.10 -3.99 -5.34 4.02 -0.83 -0.76 117.16 115.67 3i6e n TYR 199 Ca -0.04 0.03 -0.27 0.00 -0.01 0.00 0.00 57.90 57.61 3i6e n TYR 199 Cb 0.50 -0.37 -0.03 0.00 -0.02 0.00 0.00 39.34 39.43 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 -1.60 -0.47 0.00 7.72 4.13 -1.22 0.08 115.26 123.89 3i6e n ASN 200 Ca 0.05 -1.05 0.00 0.00 1.68 0.00 0.00 54.58 55.27 3i6e n ASN 200 Cb 0.35 -2.86 0.00 0.00 -1.54 0.00 0.00 39.78 35.74 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 -4.43 -1.68 0.30 3.52 6.02 -0.02 -4.86 117.38 116.23 3i6e n GLN 201 Ca -0.30 0.39 0.16 0.00 -0.01 0.00 0.00 57.00 57.25 3i6e n GLN 201 Cb 0.68 -4.75 0.97 0.00 1.02 0.00 0.00 30.24 28.16 3i6e n GLN 201 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3i6e h GLY 202 N 0.00 0.00 -3.56 1.08 0.00 -0.39 -3.31 103.07 96.89 3i6e h GLY 202 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3i6e h GLY 202 CO 0.00 0.00 0.07 1.08 0.00 0.00 0.00 176.54 177.69 3i6e s LEU 203 N -7.45 4.28 0.49 3.11 1.43 -0.35 -4.93 118.68 115.25 3i6e s LEU 203 Ca -0.05 1.33 -0.07 0.00 -1.03 0.00 0.00 54.13 54.31 3i6e s LEU 203 Cb 0.15 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 3i6e s LEU 203 CO 0.53 -0.01 0.82 -1.61 0.23 0.00 0.00 176.35 176.30 3i6e s GLU 204 N -2.21 3.59 0.23 1.70 0.41 -1.26 -4.47 118.70 116.69 3i6e s GLU 204 Ca 0.45 0.32 -0.09 0.00 -0.41 0.00 0.00 54.97 55.25 3i6e s GLU 204 Cb -0.15 -2.34 0.36 0.00 -1.78 0.00 0.00 34.13 30.22 3i6e s GLU 204 CO 0.20 -0.22 1.67 0.82 -0.49 0.00 0.00 175.26 177.24 3i6e h ILE 205 N 0.31 0.50 0.00 -1.63 2.04 -1.98 -1.74 117.51 115.01 3i6e h ILE 205 Ca -0.47 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3i6e h ILE 205 Cb 1.20 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3i6e h ILE 205 CO 0.62 0.03 0.00 -0.90 0.00 0.00 0.00 178.15 177.90 3i6e n ASP 206 N -5.24 0.00 0.00 1.72 5.68 -1.26 -3.33 116.55 114.12 3i6e n ASP 206 Ca 0.11 -0.69 0.00 0.00 -0.50 0.00 0.00 54.79 53.71 3i6e n ASP 206 Cb 0.40 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 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 -0.98 2.02 0.29 0.11 0.28 -0.71 -4.89 120.64 116.76 3i6e n GLU 207 Ca 0.15 -0.12 -0.17 0.00 -0.16 0.00 0.00 57.16 56.86 3i6e n GLU 207 Cb 0.07 -0.50 -0.09 0.00 1.43 0.00 0.00 31.44 32.35 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 -0.95 0.29 -1.84 0.00 -1.41 -2.69 119.26 112.66 3i6e h ALA 208 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3i6e h ALA 208 Cb 0.09 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3i6e h ALA 208 CO 0.00 -1.06 -0.28 0.28 0.00 0.00 0.00 179.25 178.19 3i6e h VAL 209 N -0.90 0.42 -0.58 0.00 2.07 -1.89 -1.24 116.25 114.12 3i6e h VAL 209 Ca -0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3i6e h VAL 209 Cb 0.77 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3i6e h VAL 209 CO -0.01 0.00 0.25 1.55 0.02 0.00 0.00 177.57 179.38 3i6e h PRO 210 N -0.59 0.83 -0.19 1.57 0.13 -1.92 -1.23 132.00 130.60 3i6e h PRO 210 Ca -0.01 -0.12 -0.12 0.00 -0.87 0.00 0.00 66.00 64.88 3i6e h PRO 210 Cb 0.54 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.52 3i6e h PRO 210 CO -0.05 0.67 -0.36 0.00 -0.23 0.00 0.00 178.00 178.02 3i6e h ARG 211 N 0.82 0.59 -0.51 0.86 3.08 -1.38 -2.64 114.38 115.19 3i6e h ARG 211 Ca 0.20 -0.37 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 3i6e h ARG 211 Cb 0.14 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3i6e h ARG 211 CO -0.02 0.98 0.20 0.28 -1.07 0.00 0.00 179.97 180.34 3i6e h VAL 212 N 0.26 1.22 -0.60 2.04 2.07 -1.12 -1.90 116.25 118.22 3i6e h VAL 212 Ca 0.01 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 3i6e h VAL 212 Cb 0.96 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 3i6e h VAL 212 CO 0.08 0.26 0.33 -0.07 0.02 0.00 0.00 177.57 178.19 3i6e h LEU 213 N 0.68 0.74 -0.06 2.57 3.38 -1.24 0.48 115.31 121.86 3i6e h LEU 213 Ca 0.17 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3i6e h LEU 213 Cb 0.21 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3i6e h LEU 213 CO -0.01 0.59 -0.05 0.44 0.09 0.00 0.00 178.44 179.50 3i6e h ASP 214 N 0.84 0.15 -0.14 -0.43 3.32 -1.23 -3.13 116.42 115.81 3i6e h ASP 214 Ca 0.21 -0.46 -0.06 0.00 0.02 0.00 0.00 57.03 56.74 3i6e h ASP 214 Cb 0.02 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3i6e h ASP 214 CO -0.04 0.58 -0.08 0.58 -1.72 0.00 0.00 179.24 178.57 3i6e h VAL 215 N -0.28 1.21 0.00 -1.35 2.07 -1.12 -2.43 116.25 114.34 3i6e h VAL 215 Ca 0.01 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 3i6e h VAL 215 Cb 0.53 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3i6e h VAL 215 CO 0.01 0.29 -0.06 0.00 0.02 0.00 0.00 177.57 177.83 3i6e h ALA 216 N 1.50 1.44 0.00 1.67 0.00 -0.87 -1.33 119.26 121.68 3i6e h ALA 216 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3i6e h ALA 216 Cb 0.40 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3i6e h ALA 216 CO 0.02 0.07 -0.03 1.96 0.00 0.00 0.00 179.25 181.28 3i6e h GLN 217 N 0.00 0.00 0.00 0.00 1.08 -1.38 0.22 115.11 115.03 3i6e h GLN 217 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3i6e h GLN 217 Cb 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3i6e h GLN 217 CO 0.01 0.03 0.00 1.19 -0.95 0.00 0.00 178.83 179.10 3i6e n PHE 218 N -4.22 0.00 -3.85 2.96 3.72 -0.50 -4.94 117.46 110.63 3i6e n PHE 218 Ca -0.03 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.11 3i6e n PHE 218 Cb 0.11 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 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 -1.00 -3.00 -1.19 -1.08 6.02 0.06 -4.96 117.38 112.23 3i6e n GLN 219 Ca 0.23 0.45 -0.30 0.00 -0.01 0.00 0.00 57.00 57.37 3i6e n GLN 219 Cb 0.11 -4.50 0.14 0.00 1.02 0.00 0.00 30.24 27.00 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 -6.33 1.17 0.46 -1.09 0.04 -1.26 -4.89 135.00 123.09 3i6e s PRO 220 Ca 0.12 0.80 0.13 0.00 0.04 0.00 0.00 61.00 62.09 3i6e s PRO 220 Cb -0.04 -1.80 1.06 0.00 0.04 0.00 0.00 34.50 33.76 3i6e s PRO 220 CO 0.87 -2.30 2.07 -0.44 0.04 0.00 0.00 177.00 177.24 3i6e h ASP 221 N -1.59 0.15 -4.47 6.66 3.32 -0.96 -3.44 116.42 116.08 3i6e h ASP 221 Ca -0.50 -0.01 0.15 0.00 0.02 0.00 0.00 57.03 56.69 3i6e h ASP 221 Cb 1.29 -0.04 -0.17 0.00 0.22 0.00 0.00 39.33 40.63 3i6e h ASP 221 CO 0.55 0.16 0.59 0.72 -1.72 0.00 0.00 179.24 179.54 3i6e s PHE 222 N -5.06 -0.29 -0.15 4.55 -0.12 -1.26 -4.24 117.98 111.42 3i6e s PHE 222 Ca -0.06 0.22 0.02 0.00 -0.05 0.00 0.00 56.93 57.06 3i6e s PHE 222 Cb 0.17 0.52 0.01 0.00 -0.63 0.00 0.00 43.02 43.09 3i6e s PHE 222 CO 0.70 -0.43 -0.20 0.42 -0.05 0.00 0.00 175.22 175.66 3i6e s ILE 223 N -2.72 2.26 -0.11 -4.49 1.01 0.10 -1.30 121.20 115.95 3i6e s ILE 223 Ca 0.06 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 59.69 3i6e s ILE 223 Cb -0.01 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.49 3i6e s ILE 223 CO -0.07 0.54 0.23 -0.70 0.00 0.00 0.00 174.94 174.94 3i6e s GLU 224 N 0.82 3.76 0.00 2.79 2.12 0.56 -0.47 118.70 128.29 3i6e s GLU 224 Ca -0.06 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.29 3i6e s GLU 224 Cb -0.15 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 30.98 3i6e s GLU 224 CO -0.01 0.62 0.00 0.94 -0.54 0.00 0.00 175.26 176.27 3i6e n GLN 225 N 2.36 0.00 0.02 4.30 -0.06 0.21 -1.96 117.38 122.25 3i6e n GLN 225 Ca -0.17 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 54.80 3i6e n GLN 225 Cb 0.54 0.00 0.22 0.00 -4.06 0.00 0.00 30.24 26.94 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 0.10 0.47 -5.43 3.69 0.11 -1.88 -0.02 132.00 129.04 3i6e h PRO 226 Ca 0.00 -0.16 -0.63 0.00 0.11 0.00 0.00 66.00 65.32 3i6e h PRO 226 Cb 0.00 -0.04 -0.13 0.00 0.11 0.00 0.00 31.00 30.94 3i6e h PRO 226 CO 0.00 0.66 -0.57 0.14 -0.21 0.00 0.00 178.00 178.03 3i6e s VAL 227 N -4.56 1.56 0.45 3.15 -7.23 -1.26 -1.22 120.40 111.29 3i6e s VAL 227 Ca -0.07 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 57.87 3i6e s VAL 227 Cb 0.14 -2.66 -0.10 0.00 0.56 0.00 0.00 36.38 34.31 3i6e s VAL 227 CO 0.78 0.00 0.84 0.54 -0.31 0.00 0.00 175.10 176.95 3i6e n ARG 228 N -1.04 1.01 -0.32 4.82 5.12 -1.25 -4.36 116.66 120.64 3i6e n ARG 228 Ca -0.10 0.37 0.17 0.00 -1.93 0.00 0.00 57.85 56.36 3i6e n ARG 228 Cb 0.67 -1.87 0.36 0.00 -1.16 0.00 0.00 32.46 30.46 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 1.13 1.64 0.00 7.54 0.00 -1.92 -0.97 119.26 126.67 3i6e h ALA 229 Ca -0.44 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3i6e h ALA 229 Cb 1.36 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3i6e h ALA 229 CO 0.54 -0.36 0.00 -2.39 0.00 0.00 0.00 179.25 177.04 3i6e n HIS 230 N -5.00 0.00 -1.37 0.00 1.44 -1.26 -4.31 115.22 104.73 3i6e n HIS 230 Ca 0.25 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.59 3i6e n HIS 230 Cb 0.74 -0.40 -0.04 0.00 0.12 0.00 0.00 29.99 30.42 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 -1.40 2.30 -0.17 -1.40 8.25 -0.37 -4.67 115.22 117.76 3i6e n HIS 231 Ca 0.07 -2.97 -0.07 0.00 -0.26 0.00 0.00 57.72 54.49 3i6e n HIS 231 Cb 0.20 -2.37 0.02 0.00 1.12 0.00 0.00 29.99 28.96 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 4.83 0.64 0.00 4.41 -1.00 -1.85 -0.07 116.94 123.90 3i6e h PHE 232 Ca 0.82 0.01 0.01 0.00 2.81 0.00 0.00 57.97 61.62 3i6e h PHE 232 Cb 0.35 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 3i6e h PHE 232 CO 1.85 0.41 -0.05 0.93 -1.61 0.00 0.00 178.31 179.84 3i6e h GLU 233 N 0.69 -0.08 -0.66 1.51 5.08 -1.95 -0.68 114.58 118.50 3i6e h GLU 233 Ca 0.19 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 3i6e h GLU 233 Cb -0.08 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3i6e h GLU 233 CO -0.04 -0.05 0.17 1.25 -1.00 0.00 0.00 179.01 179.34 3i6e h LEU 234 N -0.08 0.97 -0.38 1.33 5.85 -1.91 -1.63 115.31 119.46 3i6e h LEU 234 Ca 0.02 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3i6e h LEU 234 Cb 0.11 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3i6e h LEU 234 CO -0.05 0.93 0.23 0.24 -0.34 0.00 0.00 178.44 179.45 3i6e h MET 235 N 0.98 0.52 -0.94 1.25 2.86 -0.72 0.45 114.93 119.33 3i6e h MET 235 Ca 0.21 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.85 3i6e h MET 235 Cb 0.33 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.83 3i6e h MET 235 CO -0.00 0.38 0.61 0.00 1.06 0.00 0.00 176.91 178.97 3i6e h ALA 236 N 1.10 1.42 -0.36 6.32 0.00 -0.72 -0.08 119.26 126.95 3i6e h ALA 236 Ca 0.14 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3i6e h ALA 236 Cb -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3i6e h ALA 236 CO -0.03 0.47 -0.14 0.00 0.00 0.00 0.00 179.25 179.56 3i6e h ARG 237 N 1.15 0.73 -0.32 0.00 3.08 -0.64 -2.83 114.38 115.54 3i6e h ARG 237 Ca 0.38 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3i6e h ARG 237 Cb 0.07 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3i6e h ARG 237 CO -0.13 0.90 0.06 -0.07 -1.07 0.00 0.00 179.97 179.67 3i6e h LEU 238 N 0.52 0.43 -1.24 3.04 3.38 -0.34 -1.88 115.31 119.22 3i6e h LEU 238 Ca 0.08 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3i6e h LEU 238 Cb 0.67 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3i6e h LEU 238 CO 0.05 0.46 0.23 -0.09 0.09 0.00 0.00 178.44 179.17 3i6e h ARG 239 N 0.47 0.75 0.00 1.13 2.43 -0.79 -2.32 114.38 116.04 3i6e h ARG 239 Ca 0.11 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3i6e h ARG 239 Cb 0.21 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3i6e h ARG 239 CO -0.00 0.60 0.00 0.41 -1.51 0.00 0.00 179.97 179.47 3i6e n GLY 240 N -1.13 -1.11 0.15 2.80 0.00 -0.71 -4.01 105.19 101.17 3i6e n GLY 240 Ca 0.04 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 -8.43 0.99 3.38 -1.37 -3.48 115.31 106.40 3i6e h LEU 241 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 3i6e h LEU 241 Cb 0.12 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 3i6e h LEU 241 CO 0.00 0.26 -0.20 0.42 0.09 0.00 0.00 178.44 179.01 3i6e s THR 242 N -3.11 0.00 -2.19 0.22 -4.23 -1.26 -5.04 115.64 100.03 3i6e s THR 242 Ca 0.03 -1.57 0.23 0.00 -1.18 0.00 0.00 61.69 59.20 3i6e s THR 242 Cb 0.07 -2.50 0.55 0.00 1.34 0.00 0.00 72.50 71.97 3i6e s THR 242 CO 0.74 0.00 1.48 0.47 -0.54 0.00 0.00 174.62 176.77 3i6e n ASP 243 N -0.97 3.77 -4.70 3.99 8.00 -1.26 -4.88 116.55 120.49 3i6e n ASP 243 Ca 0.00 -2.00 -0.42 0.00 0.71 0.00 0.00 54.79 53.08 3i6e n ASP 243 Cb 0.62 -0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 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 -1.21 4.54 0.21 2.53 1.01 -1.26 -4.97 120.40 121.26 3i6e s VAL 244 Ca 0.45 1.83 -0.32 0.00 0.00 0.00 0.00 61.98 63.93 3i6e s VAL 244 Cb 0.24 -4.17 -0.13 0.00 0.00 0.00 0.00 36.38 32.32 3i6e s VAL 244 CO 0.33 0.09 1.50 -2.65 0.00 0.00 0.00 175.10 174.37 3i6e n PRO 245 N 4.32 2.16 -3.71 2.72 -0.02 -1.26 -4.82 135.00 134.39 3i6e n PRO 245 Ca 0.08 0.77 -0.37 0.00 -2.02 0.00 0.00 63.50 61.96 3i6e n PRO 245 Cb 0.49 -2.49 -0.12 0.00 -0.02 0.00 0.00 33.50 31.35 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 0.38 3.73 -0.13 2.45 0.20 -1.26 -0.72 118.68 123.33 3i6e s LEU 246 Ca 0.72 -0.34 -0.06 0.00 0.69 0.00 0.00 54.13 55.14 3i6e s LEU 246 Cb -0.64 -1.96 -0.04 0.00 -0.43 0.00 0.00 46.19 43.12 3i6e s LEU 246 CO 0.45 -0.10 0.11 -0.76 -0.29 0.00 0.00 176.35 175.76 3i6e s LEU 247 N 1.62 4.20 0.01 -0.68 1.43 0.38 -0.53 118.68 125.10 3i6e s LEU 247 Ca 0.06 0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 53.35 3i6e s LEU 247 Cb -0.16 -2.02 -0.06 0.00 0.03 0.00 0.00 46.19 43.98 3i6e s LEU 247 CO 0.05 0.37 0.49 0.00 0.23 0.00 0.00 176.35 177.49 3i6e s ALA 248 N -0.77 3.61 0.00 4.21 0.00 -0.35 -0.62 121.76 127.83 3i6e s ALA 248 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.99 3i6e s ALA 248 Cb -0.12 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.46 3i6e s ALA 248 CO 0.03 0.35 0.00 -3.47 0.00 0.00 0.00 175.76 172.67 3i6e n ASP 249 N 2.16 0.00 0.29 0.00 -0.08 -1.26 -0.79 116.55 116.86 3i6e n ASP 249 Ca -0.11 0.00 0.16 0.00 -1.51 0.00 0.00 54.79 53.33 3i6e n ASP 249 Cb 0.52 0.00 0.93 0.00 2.34 0.00 0.00 41.12 44.90 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 -0.95 114.58 114.10 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 -3.29 1.42 0.02 -1.90 -3.42 113.55 106.38 3i6e h SER 251 Ca 0.01 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.43 3i6e h SER 251 Cb 0.09 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.25 3i6e h SER 251 CO -0.00 0.00 -0.79 -0.69 -1.14 0.00 0.00 176.83 174.21 3i6e s VAL 252 N -3.41 0.92 -0.17 2.27 1.01 -0.36 -4.89 120.40 115.77 3i6e s VAL 252 Ca 0.04 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 3i6e s VAL 252 Cb 0.09 -1.11 -0.06 0.00 0.00 0.00 0.00 36.38 35.30 3i6e s VAL 252 CO 0.46 0.14 -0.33 -1.22 0.00 0.00 0.00 175.10 174.15 3i6e n TYR 253 N 4.94 0.07 -3.80 5.22 4.02 -1.26 -4.83 117.16 121.53 3i6e n TYR 253 Ca -0.11 0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 3i6e n TYR 253 Cb 0.48 -0.52 0.00 0.00 -0.02 0.00 0.00 39.34 39.29 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 1.47 4.74 0.37 2.72 0.00 -1.26 -2.88 105.19 110.34 3i6e n GLY 254 Ca -0.13 -2.02 0.06 0.00 0.00 0.00 0.00 46.02 43.93 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 0.99 0.11 1.61 0.11 -1.92 -0.87 132.00 132.03 3i6e h PRO 255 Ca 0.00 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 3i6e h PRO 255 Cb 0.00 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 30.89 3i6e h PRO 255 CO 0.00 0.66 -0.06 0.93 -0.21 0.00 0.00 178.00 179.32 3i6e h GLU 256 N 1.02 -0.15 -0.61 1.05 3.07 -1.98 0.35 114.58 117.33 3i6e h GLU 256 Ca 0.48 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.30 3i6e h GLU 256 Cb 0.43 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 3i6e h GLU 256 CO -0.24 -0.10 0.18 -0.44 -1.40 0.00 0.00 179.01 177.00 3i6e h ASP 257 N -0.15 0.86 -0.61 1.42 3.32 -1.82 -2.53 116.42 116.90 3i6e h ASP 257 Ca -0.01 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 3i6e h ASP 257 Cb 0.12 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 3i6e h ASP 257 CO 0.02 0.82 0.31 -0.03 -1.72 0.00 0.00 179.24 178.64 3i6e h MET 258 N 0.89 0.87 -0.41 3.56 4.05 -0.66 0.49 114.93 123.72 3i6e h MET 258 Ca 0.20 -0.12 0.02 0.00 -0.28 0.00 0.00 59.70 59.52 3i6e h MET 258 Cb 0.28 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 30.89 3i6e h MET 258 CO -0.01 0.68 0.23 0.28 0.23 0.00 0.00 176.91 178.33 3i6e h VAL 259 N 0.83 1.02 -0.36 -5.77 2.07 -0.72 0.22 116.25 113.54 3i6e h VAL 259 Ca 0.21 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 3i6e h VAL 259 Cb 0.09 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3i6e h VAL 259 CO -0.03 0.08 0.09 -0.09 0.02 0.00 0.00 177.57 177.65 3i6e h ARG 260 N 0.46 0.57 -0.86 1.57 2.43 -0.97 -1.52 114.38 116.06 3i6e h ARG 260 Ca 0.17 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3i6e h ARG 260 Cb 0.04 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 3i6e h ARG 260 CO -0.09 0.61 0.48 0.00 -1.51 0.00 0.00 179.97 179.46 3i6e h ALA 261 N 0.94 1.11 -0.35 2.80 0.00 0.24 -1.58 119.26 122.41 3i6e h ALA 261 Ca 0.11 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3i6e h ALA 261 Cb 0.29 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3i6e h ALA 261 CO -0.00 0.61 -0.04 0.00 0.00 0.00 0.00 179.25 179.82 3i6e h ALA 262 N 1.26 0.48 -0.65 0.00 0.00 -0.83 -1.82 119.26 117.70 3i6e h ALA 262 Ca 0.31 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i6e h ALA 262 Cb 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3i6e h ALA 262 CO -0.05 0.29 0.40 1.25 0.00 0.00 0.00 179.25 181.14 3i6e h HIS 263 N 0.45 0.84 -0.01 0.00 6.17 -0.95 -2.45 115.15 119.20 3i6e h HIS 263 Ca 0.09 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.18 3i6e h HIS 263 Cb 0.52 -0.28 0.00 0.00 2.52 0.00 0.00 27.41 30.17 3i6e h HIS 263 CO 0.04 0.56 -0.03 0.39 0.71 0.00 0.00 177.93 179.61 3i6e n GLU 264 N -4.60 1.16 -3.73 5.26 1.02 -0.62 -4.95 120.64 114.18 3i6e n GLU 264 Ca 0.05 -0.40 -0.22 0.00 -0.02 0.00 0.00 57.16 56.57 3i6e n GLU 264 Cb 0.04 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.00 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 1.13 -0.30 0.00 0.62 0.00 -0.72 -4.80 105.19 101.12 3i6e n GLY 265 Ca 0.20 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.48 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 -4.31 0.02 -3.97 -0.61 -5.35 -0.99 -4.44 119.36 99.71 3i6e n ILE 266 Ca -0.28 -0.01 -0.10 0.00 -0.27 0.00 0.00 62.75 62.09 3i6e n ILE 266 Cb 0.67 -0.21 -0.03 0.00 -1.74 0.00 0.00 39.64 38.32 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 -0.72 0.79 -3.66 0.00 8.00 0.31 -4.99 116.55 116.27 3i6e n ASP 268 Ca -0.02 -0.79 0.01 0.00 0.71 0.00 0.00 54.79 54.69 3i6e n ASP 268 Cb 0.61 1.06 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 -2.59 -0.07 0.02 0.44 0.00 -1.19 -1.52 107.32 102.40 3i6e s GLY 269 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.73 3i6e s GLY 269 CO 0.64 4.18 -0.03 0.54 0.00 0.00 0.00 173.10 178.43 3i6e s VAL 270 N -2.11 0.18 -0.31 1.40 0.11 -0.17 -1.22 120.40 118.29 3i6e s VAL 270 Ca 0.26 -0.74 -0.18 0.00 -2.93 0.00 0.00 61.98 58.39 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 0.01 -0.36 0.53 -0.55 -3.33 0.00 0.00 175.10 171.41 3i6e s SER 271 N -1.14 6.39 -0.20 3.54 0.15 0.03 -1.41 113.70 121.06 3i6e s SER 271 Ca -0.11 0.27 -0.10 0.00 0.70 0.00 0.00 55.95 56.70 3i6e s SER 271 Cb -0.08 -2.28 -0.05 0.00 -1.71 0.00 0.00 66.02 61.90 3i6e s SER 271 CO -0.01 -0.40 0.15 -0.63 1.20 0.00 0.00 173.24 173.55 3i6e s ILE 272 N 2.40 5.39 -0.03 6.45 1.01 0.41 -4.75 121.20 132.09 3i6e s ILE 272 Ca 0.21 0.23 0.01 0.00 0.00 0.00 0.00 60.65 61.09 3i6e s ILE 272 Cb -0.15 -3.49 0.02 0.00 0.01 0.00 0.00 42.46 38.85 3i6e s ILE 272 CO 0.12 0.43 -0.03 -0.54 0.00 0.00 0.00 174.94 174.91 3i6e s LYS 273 N 0.44 0.62 0.49 2.79 1.02 -1.26 -1.41 119.74 122.43 3i6e s LYS 273 Ca 0.09 -0.07 0.22 0.00 0.02 0.00 0.00 55.97 56.24 3i6e s LYS 273 Cb -0.11 -0.67 1.29 0.00 -0.52 0.00 0.00 37.83 37.81 3i6e s LYS 273 CO -0.01 -0.07 2.04 -0.84 -0.92 0.00 0.00 175.35 175.56 3i6e h ILE 274 N 6.02 0.79 0.00 2.17 3.07 -1.86 -1.35 117.51 126.35 3i6e h ILE 274 Ca -0.39 -0.57 -0.03 0.00 1.55 0.00 0.00 64.86 65.43 3i6e h ILE 274 Cb 1.15 1.34 -0.00 0.00 -0.27 0.00 0.00 36.82 39.04 3i6e h ILE 274 CO 0.48 0.14 -0.14 0.24 -1.05 0.00 0.00 178.15 177.83 3i6e h MET 275 N 0.00 0.00 0.08 0.16 2.86 -1.91 -0.64 114.93 115.48 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 0.33 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 3i6e h MET 275 CO 0.02 0.14 -1.88 1.63 1.06 0.00 0.00 176.91 177.88 3i6e n LYS 276 N -3.47 0.69 0.13 1.72 5.02 -0.60 -2.80 118.16 118.85 3i6e n LYS 276 Ca -0.01 0.33 0.12 0.00 -2.02 0.00 0.00 58.31 56.74 3i6e n LYS 276 Cb 0.30 -1.69 0.48 0.00 -0.02 0.00 0.00 35.03 34.10 3i6e n LYS 276 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3i6e n SER 277 N -3.75 0.72 -1.26 4.39 3.41 -0.65 -4.46 113.62 112.02 3i6e n SER 277 Ca -0.34 0.65 -0.11 0.00 -0.26 0.00 0.00 58.87 58.80 3i6e n SER 277 Cb 0.94 -0.81 -0.01 0.00 -0.26 0.00 0.00 64.21 64.07 3i6e n SER 277 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i6e n GLY 278 N 0.28 -0.04 0.00 5.00 0.00 -0.26 -4.72 105.19 105.44 3i6e n GLY 278 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.03 3.30 0.20 -0.02 0.00 -1.14 -3.73 105.19 102.78 3i6e n GLY 279 Ca -0.13 -1.00 -0.17 0.00 0.00 0.00 0.00 46.02 44.72 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 0.81 -0.38 0.99 4.07 -1.89 -2.74 115.31 116.17 3i6e h LEU 280 Ca 0.00 -0.63 -0.05 0.00 0.08 0.00 0.00 57.88 57.28 3i6e h LEU 280 Cb 0.00 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.49 3i6e h LEU 280 CO 0.00 1.31 0.04 0.74 -1.08 0.00 0.00 178.44 179.45 3i6e h THR 281 N 0.36 1.25 -0.13 0.22 2.02 -1.97 -1.92 112.91 112.75 3i6e h THR 281 Ca -0.04 -0.92 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 3i6e h THR 281 Cb 1.29 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 3i6e h THR 281 CO 0.14 0.31 -0.02 0.03 0.37 0.00 0.00 175.52 176.34 3i6e h ARG 282 N 0.49 0.18 -0.39 6.66 3.08 -1.86 0.22 114.38 122.77 3i6e h ARG 282 Ca 0.11 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 3i6e h ARG 282 Cb 0.41 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3i6e h ARG 282 CO 0.01 0.23 -0.04 0.00 -1.07 0.00 0.00 179.97 179.10 3i6e h ALA 283 N 1.80 0.53 -0.75 0.04 0.00 -1.14 -2.04 119.26 117.69 3i6e h ALA 283 Ca 0.04 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3i6e h ALA 283 Cb 0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3i6e h ALA 283 CO 0.01 0.35 0.29 1.96 0.00 0.00 0.00 179.25 181.86 3i6e h GLN 284 N 0.53 1.13 -0.99 0.00 4.20 -0.48 -2.42 115.11 117.08 3i6e h GLN 284 Ca 0.10 -0.21 0.02 0.00 0.06 0.00 0.00 58.65 58.62 3i6e h GLN 284 Cb 0.54 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 28.08 3i6e h GLN 284 CO 0.03 0.93 0.65 1.15 -0.67 0.00 0.00 178.83 180.92 3i6e h THR 285 N 1.09 1.22 -0.34 -0.54 2.02 -0.75 0.06 112.91 115.67 3i6e h THR 285 Ca 0.25 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 3i6e h THR 285 Cb 0.23 -0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.42 3i6e h THR 285 CO -0.02 0.24 0.20 0.58 0.37 0.00 0.00 175.52 176.89 3i6e h VAL 286 N 1.31 1.11 -0.74 3.16 2.07 -0.96 -0.76 116.25 121.45 3i6e h VAL 286 Ca 0.38 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 3i6e h VAL 286 Cb -0.09 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3i6e h VAL 286 CO -0.10 0.11 0.40 0.00 0.02 0.00 0.00 177.57 178.01 3i6e h ALA 287 N 1.08 0.95 -0.26 1.67 0.00 -0.91 -0.91 119.26 120.88 3i6e h ALA 287 Ca 0.12 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3i6e h ALA 287 Cb 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3i6e h ALA 287 CO -0.02 0.47 -0.28 0.00 0.00 0.00 0.00 179.25 179.42 3i6e h ARG 288 N 1.02 0.52 -0.15 0.00 3.08 -0.69 -0.83 114.38 117.34 3i6e h ARG 288 Ca 0.26 -0.21 -0.20 0.00 0.07 0.00 0.00 59.98 59.90 3i6e h ARG 288 Cb 0.04 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3i6e h ARG 288 CO -0.04 0.75 -0.71 0.82 -1.07 0.00 0.00 179.97 179.72 3i6e h ILE 289 N 0.45 1.32 -0.25 2.04 2.04 -0.90 -2.07 117.51 120.14 3i6e h ILE 289 Ca 0.06 -1.98 -0.01 0.00 1.00 0.00 0.00 64.86 63.93 3i6e h ILE 289 Cb 0.72 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 3i6e h ILE 289 CO 0.06 0.62 0.14 0.00 0.00 0.00 0.00 178.15 178.96 3i6e h ALA 290 N 0.76 0.32 -0.99 1.87 0.00 -0.90 -2.63 119.26 117.70 3i6e h ALA 290 Ca -0.03 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3i6e h ALA 290 Cb 1.30 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 3i6e h ALA 290 CO 0.14 -0.15 0.65 0.00 0.00 0.00 0.00 179.25 179.89 3i6e h ALA 291 N 1.01 1.35 0.00 0.00 0.00 -1.09 0.82 119.26 121.36 3i6e h ALA 291 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3i6e h ALA 291 Cb 0.07 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3i6e h ALA 291 CO -0.01 0.57 -0.06 0.00 0.00 0.00 0.00 179.25 179.74 3i6e h ALA 292 N 1.42 1.23 -0.68 0.00 0.00 -1.02 -1.19 119.26 119.01 3i6e h ALA 292 Ca 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3i6e h ALA 292 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3i6e h ALA 292 CO -0.11 0.07 0.00 0.72 0.00 0.00 0.00 179.25 179.93 3i6e n HIS 293 N -3.49 0.91 -2.73 0.00 8.25 -0.47 -4.95 115.22 112.74 3i6e n HIS 293 Ca -0.02 -0.48 -0.11 0.00 -0.26 0.00 0.00 57.72 56.85 3i6e n HIS 293 Cb 0.18 -0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.31 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 1.57 0.11 3.47 -1.41 0.00 -0.45 -5.03 105.19 103.45 3i6e n GLY 294 Ca 0.23 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.70 2.68 0.67 0.99 1.43 0.16 -4.97 118.68 115.94 3i6e s LEU 295 Ca 0.18 -0.32 -0.08 0.00 -1.03 0.00 0.00 54.13 52.88 3i6e s LEU 295 Cb -0.08 -1.56 0.03 0.00 0.03 0.00 0.00 46.19 44.61 3i6e s LEU 295 CO 0.23 0.29 1.01 0.00 0.23 0.00 0.00 176.35 178.10 3i6e s MET 296 N -1.15 2.61 0.01 1.70 0.23 -0.58 -3.44 119.30 118.67 3i6e s MET 296 Ca 0.14 0.04 0.01 0.00 -1.03 0.00 0.00 55.69 54.85 3i6e s MET 296 Cb -0.11 -2.15 -0.01 0.00 -1.53 0.00 0.00 34.83 31.03 3i6e s MET 296 CO 0.04 -1.02 -0.05 0.00 -2.03 0.00 0.00 175.02 171.96 3i6e s ALA 297 N -3.21 0.37 0.03 3.16 0.00 -1.25 -0.99 121.76 119.86 3i6e s ALA 297 Ca 0.57 -0.32 0.05 0.00 0.00 0.00 0.00 51.96 52.27 3i6e s ALA 297 Cb -0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 3i6e s ALA 297 CO 0.47 0.05 -0.16 -0.47 0.00 0.00 0.00 175.76 175.64 3i6e s TYR 298 N -0.44 1.41 -1.08 0.00 5.04 -0.50 -2.17 117.35 119.61 3i6e s TYR 298 Ca -0.02 -0.34 -0.18 0.00 -2.44 0.00 0.00 57.07 54.09 3i6e s TYR 298 Cb -0.04 -0.85 0.11 0.00 0.35 0.00 0.00 41.96 41.54 3i6e s TYR 298 CO -0.00 0.04 1.38 0.20 -1.34 0.00 0.00 175.55 175.83 3i6e s GLY 299 N -1.00 1.87 0.89 8.97 0.00 0.05 -0.44 107.32 117.66 3i6e s GLY 299 Ca 0.04 -2.84 -0.12 0.00 0.00 0.00 0.00 44.72 41.79 3i6e s GLY 299 CO 0.01 2.28 1.24 -0.32 0.00 0.00 0.00 173.10 176.31 3i6e s GLY 300 N 3.80 1.75 0.28 0.20 0.00 -0.50 -1.36 107.32 111.49 3i6e s GLY 300 Ca 0.42 -1.23 -0.17 0.00 0.00 0.00 0.00 44.72 43.74 3i6e s GLY 300 CO -0.04 -0.54 0.64 0.51 0.00 0.00 0.00 173.10 173.67 3i6e s ASP 301 N -4.82 -0.13 0.00 1.64 -4.77 -1.26 -4.51 116.67 102.82 3i6e s ASP 301 Ca 0.71 -0.80 0.00 0.00 -3.30 0.00 0.00 52.55 49.16 3i6e s ASP 301 Cb -0.05 0.69 0.00 0.00 -1.09 0.00 0.00 42.92 42.47 3i6e s ASP 301 CO 0.51 -1.31 0.00 0.23 0.70 0.00 0.00 175.17 175.29 3i6e n MET 302 N -0.45 2.51 -2.84 2.11 2.81 -1.26 -4.97 117.12 115.03 3i6e n MET 302 Ca -0.03 0.00 -0.44 0.00 -1.81 0.00 0.00 57.70 55.42 3i6e n MET 302 Cb 0.60 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 33.11 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 1.29 3.30 0.43 2.03 0.08 -1.26 -4.93 117.98 118.92 3i6e s PHE 303 Ca 0.00 -2.00 0.07 0.00 0.12 0.00 0.00 56.93 55.13 3i6e s PHE 303 Cb 0.00 -4.44 -0.02 0.00 -0.57 0.00 0.00 43.02 37.99 3i6e s PHE 303 CO 0.00 -1.51 0.37 -1.83 -0.10 0.00 0.00 175.22 172.15 3i6e s GLU 304 N 2.33 2.47 0.02 0.44 -1.05 -1.26 -4.85 118.70 116.80 3i6e s GLU 304 Ca 0.46 -1.61 0.00 0.00 -0.15 0.00 0.00 54.97 53.67 3i6e s GLU 304 Cb -0.01 -2.32 0.00 0.00 -0.44 0.00 0.00 34.13 31.37 3i6e s GLU 304 CO 0.02 -0.24 0.02 0.00 0.95 0.00 0.00 175.26 176.02 3i6e n ALA 305 N -1.55 0.04 0.24 -0.84 0.00 -1.26 -4.42 120.51 112.71 3i6e n ALA 305 Ca 0.03 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.46 3i6e n ALA 305 Cb 0.62 0.03 0.59 0.00 0.00 0.00 0.00 19.45 20.69 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 0.02 0.00 0.84 0.00 0.00 -1.96 -2.04 103.07 99.92 3i6e h GLY 306 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 3i6e h GLY 306 CO 0.02 0.00 0.03 -2.00 0.00 0.00 0.00 176.54 174.59 3i6e h LEU 307 N 0.00 0.35 -0.62 3.11 5.85 -1.95 -0.58 115.31 121.46 3i6e h LEU 307 Ca -0.00 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.39 3i6e h LEU 307 Cb 0.21 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3i6e h LEU 307 CO 0.01 0.52 0.13 0.00 -0.34 0.00 0.00 178.44 178.77 3i6e h ALA 308 N 0.83 0.82 -0.58 1.25 0.00 -1.83 -2.27 119.26 117.48 3i6e h ALA 308 Ca 0.06 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.79 3i6e h ALA 308 Cb 0.33 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3i6e h ALA 308 CO 0.01 0.55 0.30 0.45 0.00 0.00 0.00 179.25 180.55 3i6e h HIS 309 N 0.92 0.55 -0.63 0.00 3.86 -1.12 -0.71 115.15 118.03 3i6e h HIS 309 Ca 0.19 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.40 3i6e h HIS 309 Cb 0.38 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 3i6e h HIS 309 CO 0.03 0.26 0.31 -0.07 0.86 0.00 0.00 177.93 179.32 3i6e h LEU 310 N 0.57 0.81 -0.27 2.43 3.38 -0.85 0.11 115.31 121.50 3i6e h LEU 310 Ca 0.26 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3i6e h LEU 310 Cb 0.17 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3i6e h LEU 310 CO -0.18 0.71 0.18 0.00 0.09 0.00 0.00 178.44 179.24 3i6e h ALA 311 N 1.14 0.35 -0.17 1.53 0.00 -0.80 -1.14 119.26 120.16 3i6e h ALA 311 Ca 0.22 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3i6e h ALA 311 Cb 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3i6e h ALA 311 CO -0.03 -0.17 -0.25 0.78 0.00 0.00 0.00 179.25 179.57 3i6e h GLY 312 N 0.36 0.34 0.95 0.00 0.00 -0.91 -2.39 103.07 101.42 3i6e h GLY 312 Ca 0.10 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 3i6e h GLY 312 CO -0.02 0.24 -0.01 -0.84 0.00 0.00 0.00 176.54 175.90 3i6e h THR 313 N 0.28 1.26 -0.46 4.70 2.02 -0.18 -1.34 112.91 119.19 3i6e h THR 313 Ca 0.04 -1.04 -0.09 0.00 0.77 0.00 0.00 66.41 66.10 3i6e h THR 313 Cb 0.60 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 3i6e h THR 313 CO 0.04 0.35 -0.08 0.45 0.37 0.00 0.00 175.52 176.65 3i6e h HIS 314 N 0.54 0.90 0.32 3.16 3.86 -1.10 -0.63 115.15 122.19 3i6e h HIS 314 Ca 0.11 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 3i6e h HIS 314 Cb 0.50 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3i6e h HIS 314 CO 0.04 0.86 -0.16 1.98 0.86 0.00 0.00 177.93 181.52 3i6e h MET 315 N 0.75 -0.42 -0.71 2.45 -1.53 -1.22 -2.88 114.93 111.37 3i6e h MET 315 Ca 0.13 0.03 -0.03 0.00 -3.44 0.00 0.00 59.70 56.39 3i6e h MET 315 Cb 0.57 0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 31.68 3i6e h MET 315 CO 0.03 -0.25 0.34 0.82 0.14 0.00 0.00 176.91 178.00 3i6e h ILE 316 N -0.48 1.23 -0.23 1.77 2.04 -1.15 -2.20 117.51 118.50 3i6e h ILE 316 Ca -0.04 -0.63 0.07 0.00 1.00 0.00 0.00 64.86 65.25 3i6e h ILE 316 Cb 0.36 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3i6e h ILE 316 CO 0.07 0.27 0.17 0.00 0.00 0.00 0.00 178.15 178.66 3i6e h ALA 317 N 1.37 2.14 -0.66 1.87 0.00 -0.95 -0.78 119.26 122.25 3i6e h ALA 317 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3i6e h ALA 317 Cb 0.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3i6e h ALA 317 CO -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 178.93 3i6e n ALA 318 N -2.54 2.38 -3.79 0.00 0.00 -0.85 -0.22 120.51 115.48 3i6e n ALA 318 Ca 0.02 -1.24 -0.29 0.00 0.00 0.00 0.00 53.44 51.93 3i6e n ALA 318 Cb 0.32 -0.90 -0.13 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.09 1.89 0.59 0.00 2.01 -0.30 -4.87 115.64 113.88 3i6e s THR 319 Ca 0.46 -2.98 0.29 0.00 0.31 0.00 0.00 61.69 59.76 3i6e s THR 319 Cb 0.25 -2.31 0.36 0.00 0.01 0.00 0.00 72.50 70.81 3i6e s THR 319 CO 0.32 -0.89 2.05 1.55 -0.69 0.00 0.00 174.62 176.96 3i6e h PRO 320 N 6.47 0.00 0.00 4.92 0.13 -1.87 -2.25 132.00 139.41 3i6e h PRO 320 Ca -0.01 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 3i6e h PRO 320 Cb 0.90 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 3i6e h PRO 320 CO 0.57 0.00 -0.03 0.93 -0.23 0.00 0.00 178.00 179.24 3i6e h GLU 321 N 0.00 0.00 -5.11 0.86 3.07 -1.93 -3.37 114.58 108.10 3i6e h GLU 321 Ca 0.12 0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 58.31 3i6e h GLU 321 Cb 0.66 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 28.40 3i6e h GLU 321 CO -0.00 0.03 0.23 0.42 -1.40 0.00 0.00 179.01 178.29 3i6e s ILE 322 N -4.15 4.69 -0.43 3.13 1.01 -0.85 -3.92 121.20 120.68 3i6e s ILE 322 Ca -0.03 -0.49 0.06 0.00 0.00 0.00 0.00 60.65 60.18 3i6e s ILE 322 Cb 0.13 -4.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 3i6e s ILE 322 CO 0.49 -1.06 0.38 0.35 0.00 0.00 0.00 174.94 175.10 3i6e n THR 323 N 5.74 0.00 0.96 2.92 -2.24 -0.92 -4.68 114.28 116.06 3i6e n THR 323 Ca -0.06 -0.40 0.05 0.00 -2.27 0.00 0.00 64.05 61.37 3i6e n THR 323 Cb 0.45 1.04 0.13 0.00 -2.10 0.00 0.00 70.33 69.85 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 -0.72 1.74 0.00 3.22 4.77 -0.98 -5.04 117.00 119.99 3i6e n LEU 324 Ca 0.02 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.13 3i6e n LEU 324 Cb 0.11 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3i6e n LEU 324 CO 0.10 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 3i6e n GLY 325 N 0.89 -1.88 3.18 -0.72 0.00 -1.26 -4.81 105.19 100.58 3i6e n GLY 325 Ca 0.10 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.14 3.15 -1.95 0.00 0.28 -0.47 -0.65 120.64 120.86 3i6e n GLU 327 Ca -0.06 -4.19 -0.41 0.00 -0.16 0.00 0.00 57.16 52.34 3i6e n GLU 327 Cb 0.64 -2.12 -0.00 0.00 1.43 0.00 0.00 31.44 31.39 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 -0.53 2.91 0.69 -1.84 3.72 -1.26 -4.56 117.46 116.59 3i6e n PHE 328 Ca 0.36 -2.89 0.10 0.00 -0.05 0.00 0.00 57.45 54.96 3i6e n PHE 328 Cb 0.80 -2.16 -0.13 0.00 -0.94 0.00 0.00 39.48 37.06 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 3.87 0.00 -0.20 1.38 0.18 -1.26 -4.64 117.16 116.49 3i6e n TYR 329 Ca 0.54 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 60.25 3i6e n TYR 329 Cb 0.32 -0.13 0.03 0.00 -0.38 0.00 0.00 39.34 39.18 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 0.78 -0.20 -3.48 7.50 -1.84 0.74 115.11 118.61 3i6e h GLN 330 Ca 0.00 -0.07 -0.00 0.00 0.50 0.00 0.00 58.65 59.07 3i6e h GLN 330 Cb 0.61 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.97 3i6e h GLN 330 CO 0.00 0.57 0.12 0.00 -1.50 0.00 0.00 178.83 178.01 3i6e h ALA 331 N 1.17 1.83 0.04 3.87 0.00 -1.82 0.11 119.26 124.45 3i6e h ALA 331 Ca 0.20 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.75 3i6e h ALA 331 Cb -0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3i6e h ALA 331 CO -0.04 0.15 -1.94 0.43 0.00 0.00 0.00 179.25 177.86 3i6e n SER 332 N -4.49 1.22 0.00 0.00 7.64 -1.05 -4.61 113.62 112.33 3i6e n SER 332 Ca 0.00 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.14 3i6e n SER 332 Cb 0.09 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 3i6e n SER 332 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3i6e n TYR 333 N -3.16 0.00 -0.03 1.43 4.01 0.23 -4.91 117.16 114.73 3i6e n TYR 333 Ca -0.26 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.42 3i6e n TYR 333 Cb 1.06 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.07 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 -0.30 0.00 -2.35 -0.72 7.35 0.17 -4.99 117.46 116.61 3i6e n PHE 334 Ca 0.00 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.29 3i6e n PHE 334 Cb 0.04 -0.23 -0.03 0.00 0.35 0.00 0.00 39.48 39.60 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 -6.35 4.49 0.19 -2.13 1.43 0.07 -4.56 118.68 111.81 3i6e s LEU 335 Ca -0.09 2.40 -0.09 0.00 -1.03 0.00 0.00 54.13 55.32 3i6e s LEU 335 Cb 0.03 -3.66 0.10 0.00 0.03 0.00 0.00 46.19 42.69 3i6e s LEU 335 CO 0.11 -0.29 1.71 -1.13 0.23 0.00 0.00 176.35 176.98 3i6e h ASN 336 N 3.60 1.01 -3.99 2.29 -0.73 -1.41 -3.44 115.58 112.92 3i6e h ASN 336 Ca -0.48 -0.23 -0.14 0.00 1.87 0.00 0.00 56.30 57.32 3i6e h ASN 336 Cb 1.22 -0.27 -0.24 0.00 0.27 0.00 0.00 38.32 39.30 3i6e h ASN 336 CO 0.66 0.97 -0.34 -0.70 -0.37 0.00 0.00 177.43 177.65 3i6e s GLU 337 N -5.34 0.40 0.63 6.67 2.12 -1.26 -5.08 118.70 116.84 3i6e s GLU 337 Ca -0.12 0.36 -0.02 0.00 0.36 0.00 0.00 54.97 55.55 3i6e s GLU 337 Cb 0.14 0.19 0.06 0.00 0.26 0.00 0.00 34.13 34.78 3i6e s GLU 337 CO 0.84 -0.06 0.89 0.34 -0.54 0.00 0.00 175.26 176.72 3i6e s ASP 338 N -0.02 4.97 0.00 -1.70 2.15 -1.26 -4.88 116.67 115.93 3i6e s ASP 338 Ca -0.02 0.09 0.24 0.00 0.43 0.00 0.00 52.55 53.29 3i6e s ASP 338 Cb -0.03 -0.82 0.35 0.00 -0.30 0.00 0.00 42.92 42.12 3i6e s ASP 338 CO 0.01 -1.41 1.35 2.30 -0.17 0.00 0.00 175.17 177.25 3i6e n ILE 339 N -2.61 0.18 -2.92 4.11 -5.35 -1.26 -4.97 119.36 106.54 3i6e n ILE 339 Ca 0.09 -0.56 -0.32 0.00 -0.27 0.00 0.00 62.75 61.69 3i6e n ILE 339 Cb 0.60 1.22 -0.05 0.00 -1.74 0.00 0.00 39.64 39.67 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 -1.81 3.91 0.37 7.28 1.43 -1.26 -0.34 118.68 128.26 3i6e s LEU 340 Ca 0.33 1.29 0.20 0.00 -1.03 0.00 0.00 54.13 54.91 3i6e s LEU 340 Cb 0.21 -4.14 0.47 0.00 0.03 0.00 0.00 46.19 42.76 3i6e s LEU 340 CO 0.31 -0.34 1.63 -0.33 0.23 0.00 0.00 176.35 177.85 3i6e h GLU 341 N 1.68 0.00 -5.80 1.70 5.08 -1.49 -3.43 114.58 112.32 3i6e h GLU 341 Ca -0.48 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.33 3i6e h GLU 341 Cb 1.18 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.15 3i6e h GLU 341 CO 0.64 0.31 -0.83 0.95 -1.00 0.00 0.00 179.01 179.07 3i6e s THR 342 N -3.29 1.47 0.34 1.13 -4.23 -1.26 -5.06 115.64 104.74 3i6e s THR 342 Ca 0.03 -0.92 -0.29 0.00 -1.18 0.00 0.00 61.69 59.33 3i6e s THR 342 Cb 0.08 -1.25 -0.12 0.00 1.34 0.00 0.00 72.50 72.56 3i6e s THR 342 CO 0.69 0.31 1.48 -2.65 -0.54 0.00 0.00 174.62 173.90 3i6e n PRO 343 N 2.33 2.55 -1.81 3.99 -0.02 -1.26 -4.89 135.00 135.88 3i6e n PRO 343 Ca -0.16 0.90 -0.43 0.00 -2.02 0.00 0.00 63.50 61.79 3i6e n PRO 343 Cb 0.54 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 3i6e n PRO 343 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i6e s PHE 344 N -0.73 1.54 -0.15 6.00 5.36 -1.26 -4.89 117.98 123.85 3i6e s PHE 344 Ca 0.58 0.15 -0.29 0.00 -0.96 0.00 0.00 56.93 56.40 3i6e s PHE 344 Cb -0.51 -4.06 -0.03 0.00 -0.34 0.00 0.00 43.02 38.08 3i6e s PHE 344 CO 0.58 -4.29 1.53 1.03 -1.46 0.00 0.00 175.22 172.61 3i6e s ARG 345 N 5.01 4.05 -0.04 10.12 0.52 -1.26 -4.95 118.95 132.40 3i6e s ARG 345 Ca 0.86 1.84 -0.01 0.00 -0.52 0.00 0.00 55.73 57.90 3i6e s ARG 345 Cb -0.34 -3.94 0.03 0.00 0.52 0.00 0.00 34.95 31.21 3i6e s ARG 345 CO 0.35 -0.97 0.03 0.08 0.02 0.00 0.00 175.30 174.81 3i6e s VAL 346 N 4.30 0.06 -0.04 3.52 1.01 -1.26 -0.99 120.40 126.99 3i6e s VAL 346 Ca 0.67 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.90 3i6e s VAL 346 Cb -0.27 -0.22 0.02 0.00 0.00 0.00 0.00 36.38 35.91 3i6e s VAL 346 CO 0.25 0.16 -0.07 -1.61 0.00 0.00 0.00 175.10 173.83 3i6e s GLU 347 N 1.50 1.05 -1.55 2.72 2.02 0.03 -4.81 118.70 119.67 3i6e s GLU 347 Ca -0.03 -0.22 -0.14 0.00 0.02 0.00 0.00 54.97 54.60 3i6e s GLU 347 Cb -0.13 -0.97 0.09 0.00 0.10 0.00 0.00 34.13 33.22 3i6e s GLU 347 CO -0.03 -0.02 0.98 0.00 0.02 0.00 0.00 175.26 176.21 3i6e n ALA 348 N 3.83 -1.28 -0.99 5.21 0.00 -1.25 -1.22 120.51 124.80 3i6e n ALA 348 Ca -0.23 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3i6e n ALA 348 Cb 0.52 -4.44 0.00 0.00 0.00 0.00 0.00 19.45 15.52 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 -1.68 0.48 3.23 0.00 0.00 -1.18 -4.64 105.19 101.39 3i6e n GLY 349 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.27 2.65 0.19 1.61 -1.52 -0.36 -1.40 119.66 120.56 3i6e s GLN 350 Ca 0.00 -0.86 -0.30 0.00 -1.95 0.00 0.00 55.36 52.25 3i6e s GLN 350 Cb 0.00 -2.15 -0.08 0.00 -0.22 0.00 0.00 33.01 30.56 3i6e s GLN 350 CO 0.00 0.29 1.23 0.08 -0.25 0.00 0.00 175.29 176.63 3i6e s VAL 351 N 0.06 3.47 -0.18 1.09 1.01 0.12 -0.79 120.40 125.17 3i6e s VAL 351 Ca -0.10 1.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.94 3i6e s VAL 351 Cb -0.15 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3i6e s VAL 351 CO 0.06 0.19 0.45 -0.63 0.00 0.00 0.00 175.10 175.17 3i6e s ILE 352 N -0.03 5.17 -0.22 2.22 -1.09 -0.17 -1.16 121.20 125.93 3i6e s ILE 352 Ca 0.54 0.83 -0.29 0.00 -2.23 0.00 0.00 60.65 59.49 3i6e s ILE 352 Cb -0.34 -3.78 -0.00 0.00 -1.58 0.00 0.00 42.46 36.76 3i6e s ILE 352 CO 0.37 0.25 1.21 -0.69 -1.23 0.00 0.00 174.94 174.85 3i6e s VAL 353 N 1.21 4.36 0.55 2.92 1.01 -0.52 -4.82 120.40 125.12 3i6e s VAL 353 Ca 0.22 1.62 -0.19 0.00 0.00 0.00 0.00 61.98 63.63 3i6e s VAL 353 Cb -0.15 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 3i6e s VAL 353 CO 0.09 -0.24 1.12 -2.84 0.00 0.00 0.00 175.10 173.22 3i6e s PRO 354 N 3.58 3.33 0.00 2.72 0.02 -1.26 -4.96 135.00 138.44 3i6e s PRO 354 Ca 0.52 1.55 0.00 0.00 0.02 0.00 0.00 61.00 63.10 3i6e s PRO 354 Cb -0.18 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.33 3i6e s PRO 354 CO 0.14 -0.85 0.50 -0.25 -0.33 0.00 0.00 177.00 176.21 3i6e n ASP 355 N -1.41 1.01 -4.09 2.53 8.00 -1.26 -4.93 116.55 116.40 3i6e n ASP 355 Ca 0.11 -1.01 -0.30 0.00 0.71 0.00 0.00 54.79 54.31 3i6e n ASP 355 Cb 0.51 0.02 0.21 0.00 -0.02 0.00 0.00 41.12 41.84 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 -0.06 1.62 0.47 0.44 0.00 -1.26 -4.39 107.32 104.14 3i6e s GLY 356 Ca 0.00 -0.89 -0.25 0.00 0.00 0.00 0.00 44.72 43.59 3i6e s GLY 356 CO 0.01 -0.10 1.40 -4.14 0.00 0.00 0.00 173.10 170.27 3i6e s PRO 357 N -5.45 3.58 5.59 2.90 0.02 -1.26 -3.33 135.00 137.04 3i6e s PRO 357 Ca 0.70 2.36 0.00 0.00 0.02 0.00 0.00 61.00 64.08 3i6e s PRO 357 Cb -0.10 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 31.85 3i6e s PRO 357 CO 0.55 -0.88 0.00 0.41 -0.33 0.00 0.00 177.00 176.75 3i6e n GLY 358 N 0.61 2.57 0.21 0.52 0.00 0.24 -2.53 105.19 106.81 3i6e n GLY 358 Ca 0.06 -0.43 0.15 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 -1.85 -1.66 115.31 116.17 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 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3i6e n GLY 360 N 0.04 0.38 3.58 0.83 0.00 -1.05 -4.86 105.19 104.12 3i6e n GLY 360 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.89 0.13 4.61 0.00 -1.26 -4.91 121.76 116.43 3i6e s ALA 361 Ca 0.00 1.63 0.02 0.00 0.00 0.00 0.00 51.96 53.61 3i6e s ALA 361 Cb 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 3i6e s ALA 361 CO 0.00 -0.31 0.25 1.03 0.00 0.00 0.00 175.76 176.73 3i6e s ARG 362 N -0.71 3.39 0.30 0.00 0.52 -1.26 -4.99 118.95 116.20 3i6e s ARG 362 Ca -0.03 -0.59 -0.23 0.00 -0.52 0.00 0.00 55.73 54.37 3i6e s ARG 362 Cb -0.02 -2.95 -0.09 0.00 0.52 0.00 0.00 34.95 32.41 3i6e s ARG 362 CO 0.02 0.54 0.87 0.00 0.02 0.00 0.00 175.30 176.75 3i6e s ALA 363 N -1.69 3.26 -0.36 2.13 0.00 -1.26 -1.32 121.76 122.52 3i6e s ALA 363 Ca 0.34 0.38 -0.25 0.00 0.00 0.00 0.00 51.96 52.44 3i6e s ALA 363 Cb -0.11 -3.05 0.01 0.00 0.00 0.00 0.00 23.12 19.96 3i6e s ALA 363 CO 0.28 0.22 0.88 0.34 0.00 0.00 0.00 175.76 177.48 3i6e s ASP 364 N -1.71 6.65 0.26 0.00 2.15 0.54 -4.74 116.67 119.82 3i6e s ASP 364 Ca 0.49 0.54 -0.02 0.00 0.43 0.00 0.00 52.55 54.00 3i6e s ASP 364 Cb -0.17 -2.44 0.55 0.00 -0.30 0.00 0.00 42.92 40.56 3i6e s ASP 364 CO 0.22 -0.80 1.71 -0.65 -0.17 0.00 0.00 175.17 175.48 3i6e h PRO 365 N 8.43 0.40 -0.69 4.34 0.11 -1.95 -0.77 132.00 141.87 3i6e h PRO 365 Ca -0.24 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 3i6e h PRO 365 Cb 1.08 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 3i6e h PRO 365 CO 0.95 0.27 0.42 0.93 -0.21 0.00 0.00 178.00 180.36 3i6e h GLU 366 N 0.41 0.94 -0.37 1.05 5.08 -1.98 0.13 114.58 119.85 3i6e h GLU 366 Ca 0.46 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.64 3i6e h GLU 366 Cb 0.77 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3i6e h GLU 366 CO -0.46 0.67 -0.16 0.87 -1.00 0.00 0.00 179.01 178.92 3i6e h LYS 367 N 0.94 0.67 -0.38 2.33 1.57 -1.60 0.21 116.57 120.31 3i6e h LYS 367 Ca 0.25 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 3i6e h LYS 367 Cb -0.03 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3i6e h LYS 367 CO -0.05 0.80 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.38 3i6e h LEU 368 N 0.60 0.73 -0.10 2.94 3.38 -0.52 -0.91 115.31 121.43 3i6e h LEU 368 Ca 0.10 -0.25 -0.23 0.00 0.09 0.00 0.00 57.88 57.59 3i6e h LEU 368 Cb 0.62 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.18 3i6e h LEU 368 CO 0.04 0.92 -0.83 -0.08 0.09 0.00 0.00 178.44 178.58 3i6e h GLU 369 N 0.65 0.75 -0.13 1.13 4.57 -0.39 -2.91 114.58 118.23 3i6e h GLU 369 Ca 0.10 -0.67 -0.03 0.00 -1.18 0.00 0.00 59.36 57.58 3i6e h GLU 369 Cb 0.67 0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.42 3i6e h GLU 369 CO 0.05 1.26 -0.03 1.25 -1.18 0.00 0.00 179.01 180.37 3i6e h HIS 370 N 0.46 0.28 -0.01 0.92 2.76 -0.44 -3.26 115.15 115.86 3i6e h HIS 370 Ca -0.07 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.04 3i6e h HIS 370 Cb 1.47 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.36 3i6e h HIS 370 CO 0.10 0.53 -0.04 0.66 -1.30 0.00 0.00 177.93 177.88 3i6e n TYR 371 N -4.73 0.00 -2.40 5.26 4.01 -0.36 -4.92 117.16 114.02 3i6e n TYR 371 Ca -0.06 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.29 3i6e n TYR 371 Cb 0.24 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.21 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 -2.10 3.36 -0.48 -0.72 0.00 -1.10 -1.67 121.76 119.04 3i6e s ALA 372 Ca 0.38 0.95 0.10 0.00 0.00 0.00 0.00 51.96 53.38 3i6e s ALA 372 Cb 0.21 -3.35 -0.11 0.00 0.00 0.00 0.00 23.12 19.87 3i6e s ALA 372 CO 0.37 -0.29 0.43 1.33 0.00 0.00 0.00 175.76 177.60 3i6e n VAL 373 N 0.85 0.00 -3.55 0.00 0.24 0.08 -4.91 118.33 111.03 3i6e n VAL 373 Ca 0.00 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.34 61.90 3i6e n VAL 373 Cb 0.45 1.00 -0.06 0.00 -1.47 0.00 0.00 33.84 33.77 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 -1.93 0.81 0.00 7.34 3.52 -1.19 -5.02 118.95 122.48 3i6e s ARG 374 Ca 0.04 0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.85 3i6e s ARG 374 Cb 0.08 0.38 0.00 0.00 -1.56 0.00 0.00 34.95 33.85 3i6e s ARG 374 CO 0.41 -0.25 0.00 2.89 -0.81 0.00 0.00 175.30 177.54