#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iyj s LEU 3 N 0.00 -0.49 -0.08 0.00 2.96 -1.26 -5.17 118.68 114.64 3iyj s LEU 3 Ca 0.00 0.89 -0.05 0.00 -0.22 0.00 0.00 54.13 54.75 3iyj s LEU 3 Cb 0.00 1.88 -0.04 0.00 0.50 0.00 0.00 46.19 48.53 3iyj s LEU 3 CO 0.00 -0.15 0.14 0.26 -1.32 0.00 0.00 176.35 175.28 3iyj s TRP 4 N 0.55 3.54 0.34 5.38 0.52 -1.26 -5.10 118.94 122.91 3iyj s TRP 4 Ca -0.00 0.44 0.07 0.00 0.02 0.00 0.00 56.10 56.63 3iyj s TRP 4 Cb -0.05 -1.89 -0.03 0.00 -1.15 0.00 0.00 33.47 30.36 3iyj s TRP 4 CO -0.09 0.69 0.31 -0.65 0.02 0.00 0.00 176.95 177.22 3iyj s GLN 5 N -1.28 1.81 -0.39 4.98 -0.21 -1.26 -5.13 119.66 118.17 3iyj s GLN 5 Ca 0.18 -2.02 -0.02 0.00 0.02 0.00 0.00 55.36 53.53 3iyj s GLN 5 Cb -0.12 0.34 0.11 0.00 1.00 0.00 0.00 33.01 34.33 3iyj s GLN 5 CO 0.08 -0.68 0.17 -0.65 -2.12 0.00 0.00 175.29 172.09 3iyj s GLN 6 N -3.36 1.92 0.10 2.91 -0.21 -1.26 -5.01 119.66 114.75 3iyj s GLN 6 Ca 0.40 -1.81 -0.14 0.00 0.02 0.00 0.00 55.36 53.83 3iyj s GLN 6 Cb 0.02 -3.50 -0.09 0.00 1.00 0.00 0.00 33.01 30.44 3iyj s GLN 6 CO 0.28 -1.03 1.40 0.78 -2.12 0.00 0.00 175.29 174.60 3iyj h GLY 7 N 7.97 0.81 -3.12 3.09 0.00 -2.05 -3.49 103.07 106.27 3iyj h GLY 7 Ca -0.12 -0.89 -0.14 0.00 0.00 0.00 0.00 47.33 46.18 3iyj h GLY 7 CO 0.66 0.80 -0.66 1.20 0.00 0.00 0.00 176.54 178.54 3iyj s GLN 8 N -4.23 0.73 -0.17 4.80 -0.21 -1.26 -5.14 119.66 114.18 3iyj s GLN 8 Ca -0.12 -1.28 -0.07 0.00 0.02 0.00 0.00 55.36 53.91 3iyj s GLN 8 Cb 0.09 0.23 -0.04 0.00 1.00 0.00 0.00 33.01 34.28 3iyj s GLN 8 CO 0.85 -0.17 0.07 0.21 -2.12 0.00 0.00 175.29 174.13 3iyj s LYS 9 N -3.96 3.85 0.02 2.91 2.47 -1.26 -5.10 119.74 118.66 3iyj s LYS 9 Ca 0.13 -0.32 -0.05 0.00 -1.56 0.00 0.00 55.97 54.16 3iyj s LYS 9 Cb 0.08 -3.18 -0.01 0.00 -1.46 0.00 0.00 37.83 33.26 3iyj s LYS 9 CO -0.06 0.37 0.09 -0.51 0.16 0.00 0.00 175.35 175.40 3iyj s LEU 10 N 0.11 1.78 -1.39 5.43 1.43 -1.26 -5.06 118.68 119.73 3iyj s LEU 10 Ca 0.05 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 3iyj s LEU 10 Cb -0.12 0.53 0.09 0.00 0.03 0.00 0.00 46.19 46.72 3iyj s LEU 10 CO 0.01 -0.40 2.09 -1.22 0.23 0.00 0.00 176.35 177.05 3iyj n TYR 11 N 1.24 3.33 -1.20 0.29 4.01 -1.26 -4.98 117.16 118.60 3iyj n TYR 11 Ca -0.22 -2.91 -0.35 0.00 -0.16 0.00 0.00 57.90 54.26 3iyj n TYR 11 Cb 0.56 -2.33 0.08 0.00 -0.31 0.00 0.00 39.34 37.35 3iyj n TYR 11 CO 0.00 0.00 0.00 1.47 -0.46 0.00 0.00 176.86 177.87 3iyj n LEU 12 N 5.28 1.37 -4.71 7.72 -0.00 -1.26 -4.84 117.00 120.56 3iyj n LEU 12 Ca 0.47 0.57 -0.42 0.00 -0.00 0.00 0.00 56.01 56.63 3iyj n LEU 12 Cb 0.38 -1.27 -0.03 0.00 -0.00 0.00 0.00 43.42 42.50 3iyj n LEU 12 CO 0.87 -2.91 1.32 -2.16 -0.00 0.00 0.00 177.39 174.51 3iyj s PRO 13 N -3.07 4.18 0.91 1.47 0.04 -1.26 -4.98 135.00 132.30 3iyj s PRO 13 Ca 0.66 2.43 -0.13 0.00 0.04 0.00 0.00 61.00 64.00 3iyj s PRO 13 Cb -0.32 -3.35 0.03 0.00 0.04 0.00 0.00 34.50 30.90 3iyj s PRO 13 CO 0.58 -0.71 0.46 -0.35 0.04 0.00 0.00 177.00 177.02 3iyj n PRO 14 N 4.74 -0.20 -3.22 0.56 -0.04 -1.26 -4.98 135.00 130.60 3iyj n PRO 14 Ca 0.15 -0.01 -0.39 0.00 -0.04 0.00 0.00 63.50 63.21 3iyj n PRO 14 Cb 0.38 -1.88 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 3iyj n PRO 14 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3iyj s THR 15 N -2.33 4.81 0.72 0.52 -4.23 -1.26 -5.03 115.64 108.84 3iyj s THR 15 Ca 0.59 1.26 -0.16 0.00 -1.18 0.00 0.00 61.69 62.19 3iyj s THR 15 Cb -0.23 -3.93 -0.03 0.00 1.34 0.00 0.00 72.50 69.65 3iyj s THR 15 CO 0.65 0.48 0.60 -2.65 -0.54 0.00 0.00 174.62 173.17 3iyj n PRO 16 N 2.25 0.33 -3.80 3.99 -0.02 -1.26 -5.02 135.00 131.47 3iyj n PRO 16 Ca -0.08 0.16 -0.12 0.00 -2.02 0.00 0.00 63.50 61.43 3iyj n PRO 16 Cb 0.51 -1.89 -0.09 0.00 -0.02 0.00 0.00 33.50 32.01 3iyj n PRO 16 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3iyj s VAL 17 N -1.90 0.08 0.19 -1.45 1.01 -1.26 -5.12 120.40 111.95 3iyj s VAL 17 Ca 0.67 -0.64 -0.33 0.00 0.00 0.00 0.00 61.98 61.68 3iyj s VAL 17 Cb -0.35 -0.66 -0.13 0.00 0.00 0.00 0.00 36.38 35.24 3iyj s VAL 17 CO 0.57 -0.35 1.67 -0.24 0.00 0.00 0.00 175.10 176.75 3iyj n SER 18 N 1.12 3.68 -4.22 3.32 2.88 -1.26 -4.96 113.62 114.18 3iyj n SER 18 Ca -0.21 1.07 -0.32 0.00 -1.33 0.00 0.00 58.87 58.08 3iyj n SER 18 Cb 0.57 -1.52 -0.17 0.00 -0.75 0.00 0.00 64.21 62.34 3iyj n SER 18 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 3iyj s LYS 19 N 1.07 3.08 0.26 -1.46 -2.85 -1.26 -5.07 119.74 113.51 3iyj s LYS 19 Ca 0.76 -0.85 -0.31 0.00 -1.00 0.00 0.00 55.97 54.58 3iyj s LYS 19 Cb -0.57 -2.39 -0.12 0.00 -2.06 0.00 0.00 37.83 32.70 3iyj s LYS 19 CO 0.34 0.12 1.66 0.54 0.10 0.00 0.00 175.35 178.11 3iyj s VAL 20 N 0.51 2.00 -0.39 1.79 0.11 -1.26 -4.88 120.40 118.28 3iyj s VAL 20 Ca -0.14 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.70 3iyj s VAL 20 Cb -0.17 -3.00 0.01 0.00 -1.53 0.00 0.00 36.38 31.69 3iyj s VAL 20 CO 0.05 0.00 0.65 -0.22 -3.33 0.00 0.00 175.10 172.25 3iyj s LEU 21 N 0.25 4.34 0.38 2.54 2.96 -1.26 -4.98 118.68 122.90 3iyj s LEU 21 Ca 0.69 -0.05 -0.23 0.00 -0.22 0.00 0.00 54.13 54.32 3iyj s LEU 21 Cb -0.49 -2.78 -0.15 0.00 0.50 0.00 0.00 46.19 43.27 3iyj s LEU 21 CO 0.41 -0.69 0.35 0.00 -1.32 0.00 0.00 176.35 175.11 3iyj h SER 23 N 0.65 0.00 -0.60 0.00 4.64 -1.13 -0.71 113.55 116.40 3iyj h SER 23 Ca -0.37 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.97 3iyj h SER 23 Cb 1.42 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.48 3iyj h SER 23 CO 0.51 0.00 0.40 -0.08 -0.87 0.00 0.00 176.83 176.78 3iyj h GLU 24 N 0.00 0.73 -0.71 4.77 4.81 -1.86 -1.89 114.58 120.42 3iyj h GLU 24 Ca 0.06 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3iyj h GLU 24 Cb 0.37 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3iyj h GLU 24 CO -0.00 0.48 0.43 1.15 -0.73 0.00 0.00 179.01 180.34 3iyj h THR 25 N 0.75 1.20 -0.45 0.32 2.02 -1.43 -2.87 112.91 112.45 3iyj h THR 25 Ca 0.23 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3iyj h THR 25 Cb 0.01 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 3iyj h THR 25 CO -0.06 0.21 0.00 0.00 0.37 0.00 0.00 175.52 176.04 3iyj n TYR 26 N -4.54 0.58 -3.97 3.16 0.18 -1.18 -4.92 117.16 106.48 3iyj n TYR 26 Ca 0.06 -0.33 -0.35 0.00 1.88 0.00 0.00 57.90 59.16 3iyj n TYR 26 Cb 0.05 -0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 38.87 3iyj n TYR 26 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3iyj s VAL 27 N -1.25 3.41 -0.01 -3.48 1.01 -0.72 -2.90 120.40 116.46 3iyj s VAL 27 Ca 0.37 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 3iyj s VAL 27 Cb 0.21 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 3iyj s VAL 27 CO 0.29 0.43 0.54 -1.10 0.00 0.00 0.00 175.10 175.25 3iyj s GLN 28 N 1.38 4.24 -0.25 2.72 -1.52 0.36 -4.78 119.66 121.80 3iyj s GLN 28 Ca 0.05 0.63 -0.08 0.00 -1.95 0.00 0.00 55.36 54.00 3iyj s GLN 28 Cb -0.14 -3.32 -0.03 0.00 -0.22 0.00 0.00 33.01 29.29 3iyj s GLN 28 CO -0.02 0.42 0.10 1.03 -0.25 0.00 0.00 175.29 176.57 3iyj s ARG 29 N -0.33 3.75 0.93 2.91 0.52 -1.26 -0.93 118.95 124.53 3iyj s ARG 29 Ca 0.29 -0.43 -0.15 0.00 -0.52 0.00 0.00 55.73 54.92 3iyj s ARG 29 Cb -0.18 -3.39 0.18 0.00 0.52 0.00 0.00 34.95 32.09 3iyj s ARG 29 CO 0.16 -0.15 1.29 0.15 0.02 0.00 0.00 175.30 176.76 3iyj s LYS 30 N 1.54 0.87 -0.47 3.54 -0.14 -0.82 -4.96 119.74 119.30 3iyj s LYS 30 Ca 0.06 -0.38 0.03 0.00 -1.36 0.00 0.00 55.97 54.32 3iyj s LYS 30 Cb -0.15 -1.89 0.49 0.00 -1.68 0.00 0.00 37.83 34.60 3iyj s LYS 30 CO 0.05 -2.25 1.69 -1.13 -0.76 0.00 0.00 175.35 172.95 3iyj n SER 31 N -3.66 5.58 -4.74 2.83 3.41 -1.26 -4.73 113.62 111.05 3iyj n SER 31 Ca 0.14 -3.76 -0.32 0.00 -0.26 0.00 0.00 58.87 54.67 3iyj n SER 31 Cb 0.60 -0.73 -0.08 0.00 -0.26 0.00 0.00 64.21 63.74 3iyj n SER 31 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3iyj s ILE 32 N -4.32 4.44 0.11 -1.33 1.09 -1.26 -5.02 121.20 114.90 3iyj s ILE 32 Ca 0.57 -0.58 0.05 0.00 -1.10 0.00 0.00 60.65 59.60 3iyj s ILE 32 Cb 0.46 -3.04 -0.04 0.00 -1.06 0.00 0.00 42.46 38.79 3iyj s ILE 32 CO 0.02 0.31 -0.14 -0.36 -0.10 0.00 0.00 174.94 174.67 3iyj s PHE 33 N -1.19 1.32 0.09 3.97 0.40 -1.26 -2.24 117.98 119.06 3iyj s PHE 33 Ca 0.23 -0.54 0.01 0.00 -0.60 0.00 0.00 56.93 56.03 3iyj s PHE 33 Cb -0.12 -0.71 -0.04 0.00 0.51 0.00 0.00 43.02 42.67 3iyj s PHE 33 CO 0.14 0.11 -0.06 0.71 0.70 0.00 0.00 175.22 176.81 3iyj s TYR 34 N -1.97 0.84 -0.24 0.36 1.51 0.72 -4.69 117.35 113.87 3iyj s TYR 34 Ca 0.06 -0.91 0.01 0.00 -1.01 0.00 0.00 57.07 55.22 3iyj s TYR 34 Cb -0.06 -0.50 0.06 0.00 -0.11 0.00 0.00 41.96 41.36 3iyj s TYR 34 CO 0.02 -0.17 -0.07 -1.58 -1.11 0.00 0.00 175.55 172.65 3iyj s HIS 35 N -3.53 2.59 -0.48 2.71 5.65 -0.99 -2.66 115.29 118.59 3iyj s HIS 35 Ca 0.10 -1.88 -0.10 0.00 0.25 0.00 0.00 55.06 53.43 3iyj s HIS 35 Cb 0.05 -1.66 0.12 0.00 -1.18 0.00 0.00 32.58 29.91 3iyj s HIS 35 CO -0.05 -0.80 0.36 0.00 -0.65 0.00 0.00 174.74 173.60 3iyj s ALA 36 N 1.33 3.42 -0.26 1.58 0.00 -0.60 -2.51 121.76 124.72 3iyj s ALA 36 Ca -0.07 -2.53 -0.07 0.00 0.00 0.00 0.00 51.96 49.30 3iyj s ALA 36 Cb -0.19 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 3iyj s ALA 36 CO -0.06 -1.91 0.07 -2.00 0.00 0.00 0.00 175.76 171.86 3iyj s GLU 37 N 1.39 3.52 0.27 0.00 2.12 -1.22 -2.03 118.70 122.76 3iyj s GLU 37 Ca 0.05 -0.57 -0.22 0.00 0.36 0.00 0.00 54.97 54.60 3iyj s GLU 37 Cb -0.27 -3.32 -0.09 0.00 0.26 0.00 0.00 34.13 30.71 3iyj s GLU 37 CO -0.00 -0.25 0.81 0.95 -0.54 0.00 0.00 175.26 176.24 3iyj s THR 38 N 1.59 4.43 0.41 -1.70 -4.23 -0.63 -4.91 115.64 110.61 3iyj s THR 38 Ca 0.06 1.49 -0.23 0.00 -1.18 0.00 0.00 61.69 61.82 3iyj s THR 38 Cb -0.15 -3.90 -0.09 0.00 1.34 0.00 0.00 72.50 69.69 3iyj s THR 38 CO 0.03 0.16 1.04 -1.61 -0.54 0.00 0.00 174.62 173.70 3iyj s GLU 39 N -2.07 4.14 0.11 3.99 0.41 -1.26 -4.33 118.70 119.69 3iyj s GLU 39 Ca 0.47 1.46 -0.35 0.00 -0.41 0.00 0.00 54.97 56.14 3iyj s GLU 39 Cb -0.17 -2.47 -0.17 0.00 -1.78 0.00 0.00 34.13 29.54 3iyj s GLU 39 CO 0.22 -0.16 1.07 2.89 -0.49 0.00 0.00 175.26 178.79 3iyj n ARG 40 N -0.20 0.63 -4.36 1.61 1.85 -1.26 -4.90 116.66 110.03 3iyj n ARG 40 Ca 0.06 0.23 -0.34 0.00 -1.00 0.00 0.00 57.85 56.79 3iyj n ARG 40 Cb 0.50 -1.68 -0.12 0.00 -1.05 0.00 0.00 32.46 30.12 3iyj n ARG 40 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3iyj s LEU 41 N 0.76 3.28 0.15 2.89 1.43 -0.81 -4.99 118.68 121.39 3iyj s LEU 41 Ca 0.79 -0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.86 3iyj s LEU 41 Cb -1.01 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 3iyj s LEU 41 CO 0.53 0.16 -0.21 -0.76 0.23 0.00 0.00 176.35 176.31 3iyj s LEU 42 N 0.39 2.38 -0.21 1.79 1.43 -1.26 -2.33 118.68 120.88 3iyj s LEU 42 Ca -0.03 -0.80 -0.20 0.00 -1.03 0.00 0.00 54.13 52.07 3iyj s LEU 42 Cb -0.14 -0.96 0.05 0.00 0.03 0.00 0.00 46.19 45.18 3iyj s LEU 42 CO 0.03 0.05 0.56 0.42 0.23 0.00 0.00 176.35 177.64 3iyj s THR 43 N -1.58 0.00 0.10 5.49 -4.23 -1.16 -5.04 115.64 109.22 3iyj s THR 43 Ca 0.14 -0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.63 3iyj s THR 43 Cb -0.08 -0.79 -0.04 0.00 1.34 0.00 0.00 72.50 72.93 3iyj s THR 43 CO 0.06 -0.00 0.01 0.27 -0.54 0.00 0.00 174.62 174.42 3iyj s ILE 44 N 0.27 0.21 -5.00 2.99 -4.36 -1.26 -2.22 121.20 111.82 3iyj s ILE 44 Ca -0.00 -1.88 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 3iyj s ILE 44 Cb -0.04 -1.82 0.00 0.00 1.25 0.00 0.00 42.46 41.85 3iyj s ILE 44 CO 0.01 -0.70 0.00 0.61 0.24 0.00 0.00 174.94 175.10 3iyj n GLY 45 N -0.02 -1.93 3.60 6.27 0.00 -0.57 -4.69 105.19 107.84 3iyj n GLY 45 Ca -0.09 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 3iyj n GLY 45 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3iyj s HIS 46 N -2.55 3.17 0.20 1.61 2.46 -1.21 -2.15 115.29 116.82 3iyj s HIS 46 Ca 0.00 0.63 -0.08 0.00 0.47 0.00 0.00 55.06 56.08 3iyj s HIS 46 Cb 0.00 -3.21 0.13 0.00 -0.13 0.00 0.00 32.58 29.37 3iyj s HIS 46 CO 0.00 -0.60 1.73 -1.00 -2.47 0.00 0.00 174.74 172.40 3iyj h PRO 47 N 8.28 1.16 -0.19 2.88 0.13 -1.82 -2.60 132.00 139.85 3iyj h PRO 47 Ca -0.25 -0.26 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3iyj h PRO 47 Cb 1.10 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 3iyj h PRO 47 CO 0.87 1.00 0.10 1.88 -0.23 0.00 0.00 178.00 181.62 3iyj h TYR 48 N 1.11 0.26 -2.63 1.56 -1.99 -1.88 -3.36 116.97 110.04 3iyj h TYR 48 Ca 0.24 -0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.92 3iyj h TYR 48 Cb 0.34 -0.08 -0.15 0.00 2.00 0.00 0.00 36.73 38.83 3iyj h TYR 48 CO 0.03 0.24 0.17 1.52 -0.00 0.00 0.00 178.16 180.12 3iyj s TYR 49 N -5.87 -0.56 0.16 4.88 -0.85 -1.25 -4.42 117.35 109.43 3iyj s TYR 49 Ca -0.13 0.62 -0.31 0.00 -0.52 0.00 0.00 57.07 56.72 3iyj s TYR 49 Cb 0.08 0.47 -0.10 0.00 0.38 0.00 0.00 41.96 42.78 3iyj s TYR 49 CO 0.70 -0.73 1.70 -1.25 -1.52 0.00 0.00 175.55 174.44 3iyj s PRO 50 N -2.67 4.16 0.34 -3.49 0.04 -1.26 -4.53 135.00 127.59 3iyj s PRO 50 Ca -0.04 2.50 0.06 0.00 0.04 0.00 0.00 61.00 63.55 3iyj s PRO 50 Cb -0.01 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 3iyj s PRO 50 CO -0.03 -0.73 0.48 0.08 0.04 0.00 0.00 177.00 176.84 3iyj s VAL 51 N 1.76 4.24 -0.24 -0.36 1.01 -1.15 -4.96 120.40 120.69 3iyj s VAL 51 Ca 0.75 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 3iyj s VAL 51 Cb -0.46 -3.48 0.11 0.00 0.00 0.00 0.00 36.38 32.54 3iyj s VAL 51 CO 0.33 -0.21 0.23 -0.55 0.00 0.00 0.00 175.10 174.90 3iyj s SER 52 N -4.15 1.76 -0.19 3.32 0.15 -1.26 -2.45 113.70 110.89 3iyj s SER 52 Ca 0.44 -0.52 -0.03 0.00 0.70 0.00 0.00 55.95 56.54 3iyj s SER 52 Cb -0.10 0.31 -0.02 0.00 -1.71 0.00 0.00 66.02 64.51 3iyj s SER 52 CO 0.32 -0.36 -0.05 0.27 1.20 0.00 0.00 173.24 174.62 3iyj s ILE 53 N 2.30 3.53 0.00 6.45 -4.36 -1.19 -4.97 121.20 122.96 3iyj s ILE 53 Ca 0.08 -0.46 0.00 0.00 -0.26 0.00 0.00 60.65 60.00 3iyj s ILE 53 Cb -0.15 -2.57 0.00 0.00 1.25 0.00 0.00 42.46 40.99 3iyj s ILE 53 CO -0.21 0.46 0.00 0.61 0.24 0.00 0.00 174.94 176.04 3iyj n GLY 54 N 4.20 2.59 0.15 6.27 0.00 -1.26 -2.62 105.19 114.51 3iyj n GLY 54 Ca -0.18 -0.29 0.09 0.00 0.00 0.00 0.00 46.02 45.64 3iyj n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyj n ALA 55 N 11.02 2.30 -2.53 4.61 0.00 -1.26 -5.02 120.51 129.63 3iyj n ALA 55 Ca 0.00 -2.40 -0.27 0.00 0.00 0.00 0.00 53.44 50.77 3iyj n ALA 55 Cb 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 19.45 18.99 3iyj n ALA 55 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3iyj s LYS 56 N -2.65 2.11 0.41 0.00 1.02 -1.08 -5.17 119.74 114.38 3iyj s LYS 56 Ca 0.29 -1.99 0.01 0.00 0.02 0.00 0.00 55.97 54.30 3iyj s LYS 56 Cb 0.25 -1.81 0.01 0.00 -0.52 0.00 0.00 37.83 35.76 3iyj s LYS 56 CO 0.03 -0.11 0.08 0.25 -0.92 0.00 0.00 175.35 174.69 3iyj n THR 57 N -1.13 0.00 -3.36 2.17 -2.24 -1.26 -3.16 114.28 105.29 3iyj n THR 57 Ca -0.04 -1.83 -0.15 0.00 -2.27 0.00 0.00 64.05 59.76 3iyj n THR 57 Cb 0.66 0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 69.06 3iyj n THR 57 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3iyj s VAL 58 N -2.36 -0.43 0.11 2.28 1.01 -1.02 -4.88 120.40 115.11 3iyj s VAL 58 Ca 0.06 -0.62 -0.35 0.00 0.00 0.00 0.00 61.98 61.07 3iyj s VAL 58 Cb -0.00 -0.86 -0.17 0.00 0.00 0.00 0.00 36.38 35.35 3iyj s VAL 58 CO 0.04 -0.46 1.10 -0.81 0.00 0.00 0.00 175.10 174.96 3iyj n PRO 59 N 4.92 0.71 -2.53 2.72 -0.04 -1.26 -2.96 135.00 136.56 3iyj n PRO 59 Ca 0.03 0.25 -0.40 0.00 -0.04 0.00 0.00 63.50 63.35 3iyj n PRO 59 Cb 0.47 -1.72 -0.03 0.00 -0.04 0.00 0.00 33.50 32.17 3iyj n PRO 59 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3iyj s LYS 60 N -0.17 3.48 -0.53 0.54 0.00 -1.24 -3.35 119.74 118.47 3iyj s LYS 60 Ca 0.79 -0.95 -0.19 0.00 0.00 0.00 0.00 55.97 55.63 3iyj s LYS 60 Cb -0.99 -5.18 0.07 0.00 0.00 0.00 0.00 37.83 31.73 3iyj s LYS 60 CO 0.53 -2.26 0.63 0.08 0.00 0.00 0.00 175.35 174.32 3iyj s VAL 61 N 5.37 4.89 0.50 1.79 1.01 -0.98 -4.73 120.40 128.25 3iyj s VAL 61 Ca 0.46 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.86 3iyj s VAL 61 Cb -0.02 -4.34 0.03 0.00 0.00 0.00 0.00 36.38 32.06 3iyj s VAL 61 CO -0.06 -0.87 0.56 -0.55 0.00 0.00 0.00 175.10 174.18 3iyj s SER 62 N 2.92 5.08 0.00 3.32 0.15 -1.26 -2.94 113.70 120.98 3iyj s SER 62 Ca 0.13 -0.83 0.25 0.00 0.70 0.00 0.00 55.95 56.20 3iyj s SER 62 Cb -0.21 -0.07 0.48 0.00 -1.71 0.00 0.00 66.02 64.51 3iyj s SER 62 CO 0.10 -1.01 1.41 0.00 1.20 0.00 0.00 173.24 174.95 3iyj n ALA 63 N -1.89 2.68 -3.02 5.45 0.00 -1.26 -4.39 120.51 118.09 3iyj n ALA 63 Ca 0.07 -0.59 -0.27 0.00 0.00 0.00 0.00 53.44 52.66 3iyj n ALA 63 Cb 0.62 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 19.08 3iyj n ALA 63 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3iyj n ASN 64 N 0.65 4.23 -3.74 0.00 5.03 -1.26 -3.94 115.26 116.23 3iyj n ASN 64 Ca 0.15 -3.62 -0.13 0.00 0.87 0.00 0.00 54.58 51.85 3iyj n ASN 64 Cb 0.49 -0.58 -0.13 0.00 -1.02 0.00 0.00 39.78 38.54 3iyj n ASN 64 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3iyj s GLN 65 N -3.29 0.20 -0.53 3.52 -0.21 -1.25 -1.59 119.66 116.52 3iyj s GLN 65 Ca 0.47 0.49 -0.27 0.00 0.02 0.00 0.00 55.36 56.08 3iyj s GLN 65 Cb 0.26 -0.10 -0.03 0.00 1.00 0.00 0.00 33.01 34.14 3iyj s GLN 65 CO -0.12 -0.15 1.95 0.71 -2.12 0.00 0.00 175.29 175.56 3iyj s TYR 66 N 1.13 1.57 -0.17 0.91 2.02 -1.12 -4.80 117.35 116.90 3iyj s TYR 66 Ca -0.08 0.89 -0.29 0.00 -0.37 0.00 0.00 57.07 57.22 3iyj s TYR 66 Cb -0.10 -4.00 -0.04 0.00 -0.40 0.00 0.00 41.96 37.42 3iyj s TYR 66 CO -0.07 -2.50 1.81 1.03 -1.57 0.00 0.00 175.55 174.24 3iyj s ARG 67 N 6.98 3.73 -0.33 -0.62 1.81 -0.95 -4.47 118.95 125.10 3iyj s ARG 67 Ca 0.76 1.93 -0.02 0.00 -1.72 0.00 0.00 55.73 56.68 3iyj s ARG 67 Cb -0.16 -4.13 0.06 0.00 -0.45 0.00 0.00 34.95 30.28 3iyj s ARG 67 CO 0.24 -1.39 0.06 0.08 -0.68 0.00 0.00 175.30 173.61 3iyj s VAL 68 N 5.68 3.13 0.14 3.52 1.01 -1.26 -1.84 120.40 130.78 3iyj s VAL 68 Ca 0.81 -1.53 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 3iyj s VAL 68 Cb -0.30 -2.89 -0.07 0.00 0.00 0.00 0.00 36.38 33.12 3iyj s VAL 68 CO 0.33 -0.26 0.63 -0.36 0.00 0.00 0.00 175.10 175.45 3iyj s PHE 69 N 1.24 3.74 -0.34 5.22 2.99 -0.03 -2.42 117.98 128.37 3iyj s PHE 69 Ca -0.01 1.31 -0.06 0.00 0.00 0.00 0.00 56.93 58.17 3iyj s PHE 69 Cb -0.20 -2.54 0.04 0.00 0.00 0.00 0.00 43.02 40.32 3iyj s PHE 69 CO -0.01 0.48 0.10 0.21 -0.00 0.00 0.00 175.22 176.00 3iyj s LYS 70 N -1.53 2.58 -0.55 0.44 2.20 -0.53 -1.73 119.74 120.62 3iyj s LYS 70 Ca 0.35 -1.22 -0.19 0.00 -0.36 0.00 0.00 55.97 54.55 3iyj s LYS 70 Cb -0.18 -3.45 0.08 0.00 -1.51 0.00 0.00 37.83 32.77 3iyj s LYS 70 CO 0.21 -0.69 0.69 0.42 -0.36 0.00 0.00 175.35 175.62 3iyj s ILE 71 N 1.38 4.80 -0.12 5.43 1.09 -0.86 -1.49 121.20 131.43 3iyj s ILE 71 Ca -0.02 -0.65 -0.23 0.00 -1.10 0.00 0.00 60.65 58.66 3iyj s ILE 71 Cb -0.20 -4.41 -0.03 0.00 -1.06 0.00 0.00 42.46 36.76 3iyj s ILE 71 CO 0.02 -0.98 0.69 -1.58 -0.10 0.00 0.00 174.94 172.99 3iyj s GLN 72 N 2.79 4.35 0.57 2.79 0.74 -0.86 -2.32 119.66 127.73 3iyj s GLN 72 Ca 0.15 0.82 -0.01 0.00 0.05 0.00 0.00 55.36 56.36 3iyj s GLN 72 Cb -0.21 -3.50 0.03 0.00 1.10 0.00 0.00 33.01 30.43 3iyj s GLN 72 CO 0.10 -0.07 0.82 -0.51 -0.55 0.00 0.00 175.29 175.07 3iyj s LEU 73 N 1.29 3.23 -0.16 3.68 1.43 -1.14 -2.50 118.68 124.52 3iyj s LEU 73 Ca 0.35 0.18 -0.22 0.00 -1.03 0.00 0.00 54.13 53.41 3iyj s LEU 73 Cb -0.17 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 43.02 3iyj s LEU 73 CO 0.15 -1.16 0.65 -2.84 0.23 0.00 0.00 176.35 173.38 3iyj s PRO 74 N -4.84 4.28 0.19 1.29 0.02 -1.26 -4.78 135.00 129.89 3iyj s PRO 74 Ca 0.56 0.70 -0.32 0.00 0.02 0.00 0.00 61.00 61.96 3iyj s PRO 74 Cb -0.10 -3.54 -0.12 0.00 0.02 0.00 0.00 34.50 30.76 3iyj s PRO 74 CO 0.40 -0.15 1.75 -3.47 -0.33 0.00 0.00 177.00 175.20 3iyj n ASP 75 N 4.69 3.97 0.00 2.53 -0.08 -1.26 -4.84 116.55 121.56 3iyj n ASP 75 Ca -0.01 1.04 0.13 0.00 -1.51 0.00 0.00 54.79 54.44 3iyj n ASP 75 Cb 0.50 -1.56 0.47 0.00 2.34 0.00 0.00 41.12 42.87 3iyj n ASP 75 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3iyj n PRO 76 N 4.35 0.01 0.05 -0.67 -0.04 -1.26 -3.88 135.00 133.56 3iyj n PRO 76 Ca 0.17 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.75 3iyj n PRO 76 Cb 0.35 -1.51 0.27 0.00 -0.04 0.00 0.00 33.50 32.57 3iyj n PRO 76 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3iyj n ASN 77 N -1.52 0.63 -1.08 3.54 4.05 -1.26 -4.25 115.26 115.37 3iyj n ASN 77 Ca 0.06 0.18 0.08 0.00 0.45 0.00 0.00 54.58 55.35 3iyj n ASN 77 Cb 0.34 -0.06 0.26 0.00 1.23 0.00 0.00 39.78 41.55 3iyj n ASN 77 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3iyj n GLN 78 N -1.98 3.19 -2.57 1.20 6.02 -1.25 -4.96 117.38 117.02 3iyj n GLN 78 Ca 0.04 -2.57 -0.27 0.00 -0.01 0.00 0.00 57.00 54.19 3iyj n GLN 78 Cb 0.41 -1.64 0.01 0.00 1.02 0.00 0.00 30.24 30.04 3iyj n GLN 78 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3iyj s PHE 79 N -1.73 3.47 -0.25 1.08 0.40 -1.26 -5.03 117.98 114.65 3iyj s PHE 79 Ca 0.39 0.75 -0.29 0.00 -0.60 0.00 0.00 56.93 57.18 3iyj s PHE 79 Cb 0.25 -2.43 -0.03 0.00 0.51 0.00 0.00 43.02 41.33 3iyj s PHE 79 CO 0.18 -0.44 1.83 0.00 0.70 0.00 0.00 175.22 177.50 3iyj s ALA 80 N -2.81 3.01 -0.72 5.36 0.00 -1.26 -4.99 121.76 120.34 3iyj s ALA 80 Ca 0.49 0.48 -0.13 0.00 0.00 0.00 0.00 51.96 52.80 3iyj s ALA 80 Cb -0.10 -3.97 0.19 0.00 0.00 0.00 0.00 23.12 19.24 3iyj s ALA 80 CO 0.45 -2.39 0.65 -0.51 0.00 0.00 0.00 175.76 173.96 3iyj s LEU 81 N 6.49 6.43 0.00 0.00 1.43 -1.26 -4.94 118.68 126.83 3iyj s LEU 81 Ca 0.82 -2.45 0.00 0.00 -1.03 0.00 0.00 54.13 51.46 3iyj s LEU 81 Cb -0.26 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 43.79 3iyj s LEU 81 CO 0.33 -0.63 0.57 -2.65 0.23 0.00 0.00 176.35 174.21 3iyj n PRO 82 N 4.28 0.68 -2.49 1.29 -0.02 -1.26 -4.86 135.00 132.61 3iyj n PRO 82 Ca 0.06 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.48 3iyj n PRO 82 Cb 0.44 -1.10 -0.01 0.00 -0.02 0.00 0.00 33.50 32.80 3iyj n PRO 82 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3iyj n ASP 83 N -0.30 -0.49 -0.09 2.55 10.43 -1.26 -5.08 116.55 122.32 3iyj n ASP 83 Ca 0.00 -1.71 -0.09 0.00 2.57 0.00 0.00 54.79 55.56 3iyj n ASP 83 Cb 0.05 0.92 -0.14 0.00 1.84 0.00 0.00 41.12 43.79 3iyj n ASP 83 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3iyj n ARG 84 N -0.22 1.07 0.12 -1.24 5.12 -1.26 -4.28 116.66 115.97 3iyj n ARG 84 Ca 0.00 -0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.03 3iyj n ARG 84 Cb 0.22 -1.46 0.48 0.00 -1.16 0.00 0.00 32.46 30.54 3iyj n ARG 84 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3iyj n THR 85 N -2.67 0.86 -2.01 0.55 -1.04 -1.26 -4.64 114.28 104.06 3iyj n THR 85 Ca -0.29 0.27 -0.37 0.00 -2.04 0.00 0.00 64.05 61.61 3iyj n THR 85 Cb 1.08 -1.19 0.03 0.00 -1.82 0.00 0.00 70.33 68.42 3iyj n THR 85 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3iyj s VAL 86 N -3.30 2.59 0.30 12.58 1.01 -1.26 -4.81 120.40 127.51 3iyj s VAL 86 Ca 0.04 0.41 -0.29 0.00 0.00 0.00 0.00 61.98 62.14 3iyj s VAL 86 Cb 0.09 -3.18 -0.13 0.00 0.00 0.00 0.00 36.38 33.15 3iyj s VAL 86 CO 0.37 -0.04 1.17 0.00 0.00 0.00 0.00 175.10 176.60 3iyj n HIS 87 N -1.19 1.77 -1.75 5.22 -0.00 -1.26 -4.87 115.22 113.13 3iyj n HIS 87 Ca 0.11 0.61 -0.38 0.00 -0.00 0.00 0.00 57.72 58.07 3iyj n HIS 87 Cb 0.48 -2.34 0.06 0.00 -0.00 0.00 0.00 29.99 28.19 3iyj n HIS 87 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3iyj s ASN 88 N -0.33 4.84 0.28 4.39 3.04 -1.26 -4.88 114.94 121.02 3iyj s ASN 88 Ca 0.59 2.69 -0.03 0.00 0.04 0.00 0.00 52.86 56.16 3iyj s ASN 88 Cb -0.65 -2.63 0.40 0.00 -1.54 0.00 0.00 41.25 36.83 3iyj s ASN 88 CO 0.59 -1.85 1.94 -0.65 -3.04 0.00 0.00 177.10 174.09 3iyj h PRO 89 N 0.90 1.15 0.00 0.43 0.11 -1.89 -3.23 132.00 129.46 3iyj h PRO 89 Ca -0.51 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.53 3iyj h PRO 89 Cb 1.32 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3iyj h PRO 89 CO 0.55 0.76 -0.71 0.43 -0.21 0.00 0.00 178.00 178.82 3iyj n SER 90 N -4.42 0.77 -0.13 -2.05 7.64 -1.26 -4.63 113.62 109.53 3iyj n SER 90 Ca 0.11 -0.69 -0.11 0.00 1.01 0.00 0.00 58.87 59.19 3iyj n SER 90 Cb 0.06 1.07 -0.02 0.00 -1.01 0.00 0.00 64.21 64.32 3iyj n SER 90 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3iyj h LYS 91 N 0.00 0.77 -3.17 1.43 1.57 -1.91 -3.46 116.57 111.80 3iyj h LYS 91 Ca 0.00 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 58.49 3iyj h LYS 91 Cb 0.33 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.51 3iyj h LYS 91 CO 0.00 0.91 0.12 -1.83 -0.57 0.00 0.00 179.45 178.08 3iyj s GLU 92 N -4.77 1.52 0.05 3.15 1.03 -1.25 -0.32 118.70 118.11 3iyj s GLU 92 Ca -0.12 -0.87 0.07 0.00 0.03 0.00 0.00 54.97 54.08 3iyj s GLU 92 Cb 0.10 0.56 -0.03 0.00 -0.80 0.00 0.00 34.13 33.97 3iyj s GLU 92 CO 0.82 -0.67 -0.19 1.03 -1.33 0.00 0.00 175.26 174.92 3iyj s ARG 93 N -3.88 1.22 0.25 -4.83 1.81 -0.67 -4.81 118.95 108.04 3iyj s ARG 93 Ca 0.09 -0.93 -0.03 0.00 -1.72 0.00 0.00 55.73 53.14 3iyj s ARG 93 Cb -0.03 -1.34 -0.05 0.00 -0.45 0.00 0.00 34.95 33.09 3iyj s ARG 93 CO -0.00 0.33 0.47 -0.51 -0.68 0.00 0.00 175.30 174.91 3iyj s LEU 94 N -1.30 4.14 0.00 2.53 1.43 -1.26 -0.57 118.68 123.64 3iyj s LEU 94 Ca 0.06 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 3iyj s LEU 94 Cb -0.09 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.78 3iyj s LEU 94 CO 0.02 -0.12 0.00 1.33 0.23 0.00 0.00 176.35 177.81 3iyj n VAL 95 N -0.80 0.00 -4.35 -1.59 0.24 -0.37 -4.08 118.33 107.38 3iyj n VAL 95 Ca -0.03 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 61.99 3iyj n VAL 95 Cb 0.54 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.80 3iyj n VAL 95 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3iyj s TRP 96 N -3.41 2.48 -0.07 6.34 0.23 -1.26 -3.10 118.94 120.15 3iyj s TRP 96 Ca 0.00 -0.29 -0.03 0.00 -2.03 0.00 0.00 56.10 53.75 3iyj s TRP 96 Cb 0.00 -1.25 0.04 0.00 0.03 0.00 0.00 33.47 32.30 3iyj s TRP 96 CO 0.00 0.47 0.12 0.00 0.96 0.00 0.00 176.95 178.50 3iyj s ALA 97 N -1.53 -0.05 0.28 0.98 0.00 -0.79 -0.87 121.76 119.77 3iyj s ALA 97 Ca 0.21 0.46 -0.29 0.00 0.00 0.00 0.00 51.96 52.34 3iyj s ALA 97 Cb -0.09 -0.68 -0.09 0.00 0.00 0.00 0.00 23.12 22.25 3iyj s ALA 97 CO 0.12 -0.47 0.99 0.14 0.00 0.00 0.00 175.76 176.54 3iyj s VAL 98 N 2.05 3.91 0.00 0.00 -7.23 -0.79 -0.61 120.40 117.73 3iyj s VAL 98 Ca 0.01 1.83 0.00 0.00 -1.81 0.00 0.00 61.98 62.02 3iyj s VAL 98 Cb -0.12 -4.13 0.00 0.00 0.56 0.00 0.00 36.38 32.69 3iyj s VAL 98 CO -0.05 0.37 0.00 -0.38 -0.31 0.00 0.00 175.10 174.73 3iyj n ILE 99 N 1.14 0.00 -4.07 -0.62 5.41 -0.08 -4.81 119.36 116.33 3iyj n ILE 99 Ca -0.01 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.60 3iyj n ILE 99 Cb 0.47 -0.47 -0.14 0.00 -0.71 0.00 0.00 39.64 38.80 3iyj n ILE 99 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3iyj s GLY 100 N -3.80 0.25 -0.01 7.39 0.00 -1.16 0.01 107.32 110.00 3iyj s GLY 100 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 44.72 44.43 3iyj s GLY 100 CO 0.00 -0.29 -0.03 0.14 0.00 0.00 0.00 173.10 172.92 3iyj s VAL 101 N -0.41 0.28 -0.28 1.40 1.01 -1.04 -1.00 120.40 120.36 3iyj s VAL 101 Ca -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 3iyj s VAL 101 Cb -0.04 -0.27 0.12 0.00 0.00 0.00 0.00 36.38 36.20 3iyj s VAL 101 CO -0.00 0.10 0.23 -1.58 0.00 0.00 0.00 175.10 173.85 3iyj s GLN 102 N 0.20 0.26 -0.23 2.72 0.74 -0.53 -1.03 119.66 121.79 3iyj s GLN 102 Ca -0.02 -0.26 -0.25 0.00 0.05 0.00 0.00 55.36 54.88 3iyj s GLN 102 Cb -0.05 -0.89 -0.01 0.00 1.10 0.00 0.00 33.01 33.17 3iyj s GLN 102 CO -0.00 -1.00 0.84 0.08 -0.55 0.00 0.00 175.29 174.66 3iyj s VAL 103 N 2.26 4.83 -0.17 1.34 1.01 -1.26 -2.67 120.40 125.73 3iyj s VAL 103 Ca 0.09 1.61 -0.05 0.00 0.00 0.00 0.00 61.98 63.63 3iyj s VAL 103 Cb -0.15 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 3iyj s VAL 103 CO -0.33 -0.07 0.00 -0.55 0.00 0.00 0.00 175.10 174.15 3iyj s SER 104 N 1.31 5.04 -0.35 3.32 0.15 -0.84 -1.60 113.70 120.73 3iyj s SER 104 Ca 0.36 -0.09 -0.06 0.00 0.70 0.00 0.00 55.95 56.86 3iyj s SER 104 Cb -0.15 -1.84 0.05 0.00 -1.71 0.00 0.00 66.02 62.36 3iyj s SER 104 CO 0.08 0.14 0.11 -0.13 1.20 0.00 0.00 173.24 174.64 3iyj s ARG 105 N 0.53 2.53 -0.57 5.44 0.52 -1.26 -1.29 118.95 124.84 3iyj s ARG 105 Ca -0.01 -1.28 -0.14 0.00 -0.52 0.00 0.00 55.73 53.78 3iyj s ARG 105 Cb -0.14 -3.45 0.14 0.00 0.52 0.00 0.00 34.95 32.02 3iyj s ARG 105 CO 0.02 -0.72 0.50 0.20 0.02 0.00 0.00 175.30 175.32 3iyj s GLY 106 N 1.49 2.17 -0.04 -3.53 0.00 -1.05 -5.00 107.32 101.36 3iyj s GLY 106 Ca -0.01 -2.67 -0.30 0.00 0.00 0.00 0.00 44.72 41.73 3iyj s GLY 106 CO 0.01 1.19 1.02 1.20 0.00 0.00 0.00 173.10 176.52 3iyj s GLN 107 N 1.29 0.68 0.14 2.90 -1.52 -1.26 -4.42 119.66 117.47 3iyj s GLN 107 Ca 0.06 -0.28 -0.30 0.00 -1.95 0.00 0.00 55.36 52.89 3iyj s GLN 107 Cb -0.26 0.29 -0.07 0.00 -0.22 0.00 0.00 33.01 32.75 3iyj s GLN 107 CO 0.00 -0.30 1.16 -2.14 -0.25 0.00 0.00 175.29 173.76 3iyj s PRO 108 N -2.88 4.51 0.87 2.91 0.02 -1.26 -4.99 135.00 134.17 3iyj s PRO 108 Ca 0.08 1.77 -0.11 0.00 0.02 0.00 0.00 61.00 62.76 3iyj s PRO 108 Cb -0.01 -3.29 0.12 0.00 0.02 0.00 0.00 34.50 31.34 3iyj s PRO 108 CO -0.06 -0.09 1.15 -1.17 -0.33 0.00 0.00 177.00 176.50 3iyj s LEU 109 N 0.20 2.95 0.00 -5.54 2.96 -1.26 -4.70 118.68 113.28 3iyj s LEU 109 Ca 0.54 2.19 0.00 0.00 -0.22 0.00 0.00 54.13 56.64 3iyj s LEU 109 Cb -0.30 -4.57 0.00 0.00 0.50 0.00 0.00 46.19 41.82 3iyj s LEU 109 CO 0.33 -2.86 0.00 0.61 -1.32 0.00 0.00 176.35 173.11 3iyj n GLY 110 N 0.11 -0.37 3.90 7.98 0.00 -1.22 -5.00 105.19 110.59 3iyj n GLY 110 Ca 0.12 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 3iyj n GLY 110 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iyj s GLY 111 N 0.00 2.15 -0.13 -0.02 0.00 -1.26 -4.46 107.32 103.60 3iyj s GLY 111 Ca 0.00 -0.87 -0.13 0.00 0.00 0.00 0.00 44.72 43.72 3iyj s GLY 111 CO 0.00 -0.85 0.28 -1.59 0.00 0.00 0.00 173.10 170.94 3iyj s THR 112 N -1.51 5.29 0.21 0.90 2.01 -1.23 -4.51 115.64 116.80 3iyj s THR 112 Ca 0.34 0.53 0.11 0.00 0.31 0.00 0.00 61.69 62.99 3iyj s THR 112 Cb -0.13 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 3iyj s THR 112 CO 0.27 0.45 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.75 3iyj s VAL 113 N -0.00 2.26 -0.04 3.82 1.01 -1.26 -1.59 120.40 124.60 3iyj s VAL 113 Ca 0.17 -2.11 -0.21 0.00 0.00 0.00 0.00 61.98 59.83 3iyj s VAL 113 Cb -0.13 -2.11 0.04 0.00 0.00 0.00 0.00 36.38 34.17 3iyj s VAL 113 CO 0.05 -0.24 0.46 0.28 0.00 0.00 0.00 175.10 175.65 3iyj s THR 114 N -2.00 0.03 0.00 3.92 -1.32 -1.03 -4.87 115.64 110.37 3iyj s THR 114 Ca 0.22 -0.26 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 3iyj s THR 114 Cb -0.06 -0.76 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 3iyj s THR 114 CO 0.10 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 3iyj n GLY 115 N 1.26 4.83 3.64 6.08 0.00 -1.26 -1.00 105.19 118.74 3iyj n GLY 115 Ca -0.20 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 3iyj n GLY 115 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3iyj s HIS 116 N -0.14 -0.45 0.10 1.61 2.46 -1.00 -0.63 115.29 117.25 3iyj s HIS 116 Ca 0.00 1.09 -0.32 0.00 0.47 0.00 0.00 55.06 56.30 3iyj s HIS 116 Cb 0.00 0.37 -0.13 0.00 -0.13 0.00 0.00 32.58 32.69 3iyj s HIS 116 CO 0.00 -0.22 1.59 -1.00 -2.47 0.00 0.00 174.74 172.65 3iyj h PRO 117 N 4.14 -0.74 -3.31 2.88 0.13 -1.89 -2.69 132.00 130.53 3iyj h PRO 117 Ca -0.28 0.05 -0.62 0.00 -0.87 0.00 0.00 66.00 64.28 3iyj h PRO 117 Cb 1.18 0.17 -0.40 0.00 0.13 0.00 0.00 31.00 32.07 3iyj h PRO 117 CO 0.11 -0.49 -0.72 0.95 -0.23 0.00 0.00 178.00 177.62 3iyj s THR 118 N -5.93 1.66 0.64 1.56 -4.23 -1.26 -3.30 115.64 104.78 3iyj s THR 118 Ca -0.17 -2.54 -0.07 0.00 -1.18 0.00 0.00 61.69 57.74 3iyj s THR 118 Cb 0.06 -2.18 0.03 0.00 1.34 0.00 0.00 72.50 71.75 3iyj s THR 118 CO 0.63 -0.82 0.96 0.12 -0.54 0.00 0.00 174.62 174.97 3iyj s PHE 119 N 0.44 3.16 -0.77 3.99 5.36 -0.64 -4.59 117.98 124.93 3iyj s PHE 119 Ca 0.16 0.63 -0.05 0.00 -0.96 0.00 0.00 56.93 56.71 3iyj s PHE 119 Cb -0.23 -2.91 0.19 0.00 -0.34 0.00 0.00 43.02 39.73 3iyj s PHE 119 CO -0.04 -1.04 0.63 1.21 -1.46 0.00 0.00 175.22 174.52 3iyj s ASN 120 N -4.38 5.81 -0.23 6.13 2.47 -0.23 -2.97 114.94 121.54 3iyj s ASN 120 Ca 0.56 -3.14 -0.04 0.00 0.42 0.00 0.00 52.86 50.66 3iyj s ASN 120 Cb -0.11 -1.95 0.08 0.00 -1.45 0.00 0.00 41.25 37.83 3iyj s ASN 120 CO 0.46 -0.34 0.10 0.00 -3.72 0.00 0.00 177.10 173.60 3iyj s ALA 121 N -0.49 0.63 0.08 1.71 0.00 -1.26 -4.37 121.76 118.06 3iyj s ALA 121 Ca 0.21 -0.76 -0.17 0.00 0.00 0.00 0.00 51.96 51.23 3iyj s ALA 121 Cb -0.14 -1.24 -0.10 0.00 0.00 0.00 0.00 23.12 21.65 3iyj s ALA 121 CO -0.07 -1.41 1.43 -0.07 0.00 0.00 0.00 175.76 175.64 3iyj h LEU 122 N 8.38 0.57 -7.87 0.00 3.38 -1.04 -3.45 115.31 115.27 3iyj h LEU 122 Ca -0.17 -0.43 0.08 0.00 0.09 0.00 0.00 57.88 57.45 3iyj h LEU 122 Cb 1.08 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.61 3iyj h LEU 122 CO 0.37 0.88 0.28 -0.76 0.09 0.00 0.00 178.44 179.29 3iyj s LEU 123 N -9.15 -0.26 0.00 1.67 1.43 -1.26 -5.01 118.68 106.10 3iyj s LEU 123 Ca -0.13 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.46 3iyj s LEU 123 Cb 0.07 2.61 -0.01 0.00 0.03 0.00 0.00 46.19 48.90 3iyj s LEU 123 CO 0.79 -1.24 0.07 -0.90 0.23 0.00 0.00 176.35 175.30 3iyj n ASP 124 N -0.46 1.01 -3.63 2.29 5.75 -1.26 -2.32 116.55 117.94 3iyj n ASP 124 Ca -0.05 -2.06 -0.41 0.00 -0.01 0.00 0.00 54.79 52.26 3iyj n ASP 124 Cb 0.60 0.52 -0.01 0.00 -1.03 0.00 0.00 41.12 41.20 3iyj n ASP 124 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iyj n ALA 125 N -2.05 6.15 -2.71 2.12 0.00 -1.16 -4.92 120.51 117.94 3iyj n ALA 125 Ca -0.08 -3.91 -0.28 0.00 0.00 0.00 0.00 53.44 49.17 3iyj n ALA 125 Cb 0.30 -3.30 -0.16 0.00 0.00 0.00 0.00 19.45 16.29 3iyj n ALA 125 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3iyj s GLU 126 N 1.86 1.98 0.09 0.00 2.56 -1.26 -5.01 118.70 118.92 3iyj s GLU 126 Ca 0.52 -0.74 0.19 0.00 0.00 0.00 0.00 54.97 54.93 3iyj s GLU 126 Cb 0.15 -1.76 -0.11 0.00 2.00 0.00 0.00 34.13 34.41 3iyj s GLU 126 CO -0.06 0.35 0.85 0.09 -0.56 0.00 0.00 175.26 175.92 3iyj n ASN 127 N 2.91 0.80 -1.11 -1.70 4.13 -1.26 -4.19 115.26 114.85 3iyj n ASN 127 Ca -0.17 0.34 0.10 0.00 1.68 0.00 0.00 54.58 56.53 3iyj n ASN 127 Cb 0.53 0.33 0.25 0.00 -1.54 0.00 0.00 39.78 39.34 3iyj n ASN 127 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3iyj n VAL 128 N -2.80 0.82 -2.51 2.41 0.31 -1.26 -4.97 118.33 110.32 3iyj n VAL 128 Ca -0.07 -0.91 -0.39 0.00 -0.01 0.00 0.00 64.34 62.95 3iyj n VAL 128 Cb 0.76 0.66 -0.04 0.00 -0.91 0.00 0.00 33.84 34.31 3iyj n VAL 128 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3iyj s ASN 129 N -1.12 7.16 1.02 4.52 4.22 -1.26 -5.00 114.94 124.48 3iyj s ASN 129 Ca 0.39 2.18 -0.16 0.00 -2.14 0.00 0.00 52.86 53.13 3iyj s ASN 129 Cb 0.21 -2.61 0.04 0.00 1.28 0.00 0.00 41.25 40.16 3iyj s ASN 129 CO 0.28 -0.21 0.05 -1.14 -2.04 0.00 0.00 177.10 174.04 3iyj n ARG 130 N 0.87 -0.77 -2.14 3.55 0.63 -1.26 -4.91 116.66 112.63 3iyj n ARG 130 Ca 0.00 -0.20 -0.39 0.00 -0.92 0.00 0.00 57.85 56.35 3iyj n ARG 130 Cb 0.46 -1.68 -0.01 0.00 0.45 0.00 0.00 32.46 31.68 3iyj n ARG 130 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3iyj s LYS 131 N -3.35 3.94 -0.22 -0.14 1.02 -1.26 -4.91 119.74 114.82 3iyj s LYS 131 Ca 0.54 2.02 -0.31 0.00 0.02 0.00 0.00 55.97 58.25 3iyj s LYS 131 Cb -0.16 -2.68 -0.07 0.00 -0.52 0.00 0.00 37.83 34.40 3iyj s LYS 131 CO 0.68 -0.47 2.17 0.28 -0.92 0.00 0.00 175.35 177.09 3iyj n VAL 132 N 0.02 0.36 -2.46 3.17 0.31 -1.26 -4.96 118.33 113.51 3iyj n VAL 132 Ca 0.04 -0.36 -0.38 0.00 -0.01 0.00 0.00 64.34 63.63 3iyj n VAL 132 Cb 0.45 -2.26 -0.04 0.00 -0.91 0.00 0.00 33.84 31.08 3iyj n VAL 132 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3iyj s THR 133 N 7.46 3.50 0.44 2.52 2.01 -1.26 -4.95 115.64 125.36 3iyj s THR 133 Ca 1.02 1.28 -0.23 0.00 0.31 0.00 0.00 61.69 64.06 3iyj s THR 133 Cb -0.50 -3.72 -0.11 0.00 0.01 0.00 0.00 72.50 68.18 3iyj s THR 133 CO 0.41 0.13 0.80 0.41 -0.69 0.00 0.00 174.62 175.67 3iyj n THR 134 N 0.33 2.29 -1.76 -0.82 -1.04 -1.26 -4.77 114.28 107.25 3iyj n THR 134 Ca 0.03 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.12 3iyj n THR 134 Cb 0.47 -0.88 -0.03 0.00 -1.82 0.00 0.00 70.33 68.07 3iyj n THR 134 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3iyj s GLN 135 N -1.91 4.14 0.56 -2.82 -0.21 -1.26 -4.98 119.66 113.17 3iyj s GLN 135 Ca 0.65 2.57 -0.09 0.00 0.02 0.00 0.00 55.36 58.50 3iyj s GLN 135 Cb -0.56 -3.21 0.13 0.00 1.00 0.00 0.00 33.01 30.37 3iyj s GLN 135 CO 0.56 -0.75 0.76 2.41 -2.12 0.00 0.00 175.29 176.15 3iyj n THR 136 N 4.16 0.00 -0.30 -0.19 -1.04 -1.26 -4.92 114.28 110.73 3iyj n THR 136 Ca 0.16 -0.58 0.02 0.00 -2.04 0.00 0.00 64.05 61.61 3iyj n THR 136 Cb 0.36 -1.69 0.22 0.00 -1.82 0.00 0.00 70.33 67.40 3iyj n THR 136 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3iyj h THR 137 N -1.41 1.12 -3.95 12.58 2.02 -2.04 -3.41 112.91 117.82 3iyj h THR 137 Ca -0.25 -0.37 -0.28 0.00 0.77 0.00 0.00 66.41 66.29 3iyj h THR 137 Cb 0.68 -0.05 -0.22 0.00 -1.74 0.00 0.00 68.15 66.82 3iyj h THR 137 CO 0.18 0.20 -0.74 -0.62 0.37 0.00 0.00 175.52 174.91 3iyj s ASP 138 N -6.11 0.77 0.00 4.18 -1.08 -1.26 -5.02 116.67 108.16 3iyj s ASP 138 Ca -0.12 -0.47 0.00 0.00 -0.52 0.00 0.00 52.55 51.45 3iyj s ASP 138 Cb 0.19 0.02 0.00 0.00 -1.46 0.00 0.00 42.92 41.67 3iyj s ASP 138 CO 0.80 -0.16 0.10 0.47 0.52 0.00 0.00 175.17 176.90 3iyj n ASP 139 N 1.73 0.20 -4.63 -0.34 8.00 -1.26 -5.09 116.55 115.16 3iyj n ASP 139 Ca -0.21 -0.91 -0.32 0.00 0.71 0.00 0.00 54.79 54.06 3iyj n ASP 139 Cb 0.55 0.02 0.15 0.00 -0.02 0.00 0.00 41.12 41.83 3iyj n ASP 139 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3iyj n ARG 140 N -0.02 -0.34 -3.98 -1.24 1.74 -1.25 -4.62 116.66 106.93 3iyj n ARG 140 Ca 0.00 -0.04 -0.11 0.00 -0.77 0.00 0.00 57.85 56.94 3iyj n ARG 140 Cb 0.17 -2.29 -0.03 0.00 -1.02 0.00 0.00 32.46 29.29 3iyj n ARG 140 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3iyj s LYS 141 N -4.38 1.82 0.01 5.56 1.02 -1.16 -4.88 119.74 117.73 3iyj s LYS 141 Ca 0.66 -1.44 -0.30 0.00 0.02 0.00 0.00 55.97 54.91 3iyj s LYS 141 Cb -0.24 0.50 -0.03 0.00 -0.52 0.00 0.00 37.83 37.54 3iyj s LYS 141 CO 0.59 -0.78 0.97 -1.14 -0.92 0.00 0.00 175.35 174.06 3iyj s GLN 142 N -3.35 4.57 -0.11 1.68 0.74 -1.21 -1.62 119.66 120.35 3iyj s GLN 142 Ca 0.23 1.41 0.03 0.00 0.05 0.00 0.00 55.36 57.08 3iyj s GLN 142 Cb -0.02 -3.45 0.00 0.00 1.10 0.00 0.00 33.01 30.64 3iyj s GLN 142 CO 0.13 -0.03 -0.23 0.99 -0.55 0.00 0.00 175.29 175.60 3iyj s THR 143 N 0.94 2.02 0.13 -0.34 2.01 -1.01 -4.96 115.64 114.43 3iyj s THR 143 Ca 0.51 -0.98 -0.07 0.00 0.31 0.00 0.00 61.69 61.46 3iyj s THR 143 Cb -0.21 -1.76 -0.06 0.00 0.01 0.00 0.00 72.50 70.48 3iyj s THR 143 CO 0.28 0.55 0.41 -0.83 -0.69 0.00 0.00 174.62 174.33 3iyj s GLY 144 N 0.54 2.28 -0.29 4.40 0.00 -1.26 -2.37 107.32 110.62 3iyj s GLY 144 Ca -0.14 -0.46 0.03 0.00 0.00 0.00 0.00 44.72 44.14 3iyj s GLY 144 CO 0.05 -0.33 0.55 -2.27 0.00 0.00 0.00 173.10 171.10 3iyj s LEU 145 N -2.43 -1.38 0.28 0.66 2.96 -0.17 -4.96 118.68 113.64 3iyj s LEU 145 Ca 0.39 0.32 -0.29 0.00 -0.22 0.00 0.00 54.13 54.33 3iyj s LEU 145 Cb -0.13 1.89 -0.10 0.00 0.50 0.00 0.00 46.19 48.36 3iyj s LEU 145 CO 0.22 -0.30 1.21 1.51 -1.32 0.00 0.00 176.35 177.67 3iyj s ASP 146 N 2.78 7.02 0.90 3.68 -4.77 -1.26 -2.47 116.67 122.55 3iyj s ASP 146 Ca 0.13 2.43 -0.13 0.00 -3.30 0.00 0.00 52.55 51.69 3iyj s ASP 146 Cb -0.12 -2.63 0.05 0.00 -1.09 0.00 0.00 42.92 39.13 3iyj s ASP 146 CO -0.24 -0.36 0.65 0.00 0.70 0.00 0.00 175.17 175.92 3iyj n ALA 147 N 1.38 -1.86 -3.24 2.11 0.00 -0.62 -4.46 120.51 113.82 3iyj n ALA 147 Ca 0.01 -0.52 -0.45 0.00 0.00 0.00 0.00 53.44 52.47 3iyj n ALA 147 Cb 0.43 -1.93 -0.00 0.00 0.00 0.00 0.00 19.45 17.95 3iyj n ALA 147 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3iyj s LYS 148 N -3.77 4.13 0.11 0.00 2.36 -1.26 -1.49 119.74 119.82 3iyj s LYS 148 Ca 0.62 -2.99 -0.35 0.00 -2.55 0.00 0.00 55.97 50.69 3iyj s LYS 148 Cb -0.24 -4.67 -0.16 0.00 -1.05 0.00 0.00 37.83 31.71 3iyj s LYS 148 CO 0.63 -1.37 1.32 0.94 1.55 0.00 0.00 175.35 178.41 3iyj n GLN 149 N 3.53 1.24 -3.70 4.03 7.27 -1.25 -4.85 117.38 123.65 3iyj n GLN 149 Ca 0.26 0.45 -0.10 0.00 0.07 0.00 0.00 57.00 57.68 3iyj n GLN 149 Cb 0.41 -2.07 -0.03 0.00 2.41 0.00 0.00 30.24 30.96 3iyj n GLN 149 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 3iyj s GLN 150 N 0.30 1.42 -0.11 3.69 0.74 -1.26 -1.94 119.66 122.50 3iyj s GLN 150 Ca 0.81 -0.82 -0.05 0.00 0.05 0.00 0.00 55.36 55.35 3iyj s GLN 150 Cb -0.90 0.54 0.05 0.00 1.10 0.00 0.00 33.01 33.79 3iyj s GLN 150 CO 0.47 -0.61 0.25 -0.65 -0.55 0.00 0.00 175.29 174.20 3iyj s GLN 151 N -3.86 0.21 -0.05 1.67 -0.21 -0.00 -2.64 119.66 114.78 3iyj s GLN 151 Ca 0.08 0.54 0.00 0.00 0.02 0.00 0.00 55.36 56.00 3iyj s GLN 151 Cb -0.02 -0.12 0.02 0.00 1.00 0.00 0.00 33.01 33.90 3iyj s GLN 151 CO -0.03 -0.16 -0.03 0.42 -2.12 0.00 0.00 175.29 173.36 3iyj s ILE 152 N 1.25 0.49 -0.04 1.08 1.01 0.33 -2.50 121.20 122.82 3iyj s ILE 152 Ca -0.09 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.51 3iyj s ILE 152 Cb -0.10 -0.55 0.02 0.00 0.01 0.00 0.00 42.46 41.84 3iyj s ILE 152 CO -0.09 0.23 -0.07 -0.22 0.00 0.00 0.00 174.94 174.79 3iyj s LEU 153 N 1.16 1.51 -0.26 2.97 2.96 -0.91 0.07 118.68 126.18 3iyj s LEU 153 Ca -0.07 -0.18 -0.13 0.00 -0.22 0.00 0.00 54.13 53.53 3iyj s LEU 153 Cb -0.14 -0.54 0.08 0.00 0.50 0.00 0.00 46.19 46.09 3iyj s LEU 153 CO -0.01 -0.01 0.61 -1.48 -1.32 0.00 0.00 176.35 174.14 3iyj s LEU 154 N 0.68 -0.79 -0.03 -0.68 0.05 -0.28 -1.76 118.68 115.86 3iyj s LEU 154 Ca -0.10 1.37 -0.01 0.00 0.05 0.00 0.00 54.13 55.44 3iyj s LEU 154 Cb -0.13 2.11 -0.04 0.00 -2.05 0.00 0.00 46.19 46.08 3iyj s LEU 154 CO 0.01 -0.23 0.06 -0.22 -0.55 0.00 0.00 176.35 175.42 3iyj s LEU 155 N 1.82 3.82 0.00 1.48 2.96 -1.24 -1.16 118.68 126.37 3iyj s LEU 155 Ca -0.09 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 3iyj s LEU 155 Cb -0.07 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.50 3iyj s LEU 155 CO -0.18 0.31 0.00 0.61 -1.32 0.00 0.00 176.35 175.77 3iyj n GLY 156 N 1.50 1.36 0.13 7.98 0.00 -0.86 0.26 105.19 115.56 3iyj n GLY 156 Ca -0.15 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 3iyj n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyj s THR 158 N -2.51 3.89 0.33 0.00 2.01 -1.00 -4.47 115.64 113.90 3iyj s THR 158 Ca -0.32 -1.29 -0.28 0.00 0.31 0.00 0.00 61.69 60.11 3iyj s THR 158 Cb 0.09 -2.95 -0.12 0.00 0.01 0.00 0.00 72.50 69.53 3iyj s THR 158 CO 0.62 -0.07 1.28 -0.81 -0.69 0.00 0.00 174.62 174.95 3iyj n PRO 159 N -0.04 2.09 -2.06 4.92 -0.04 -1.26 -4.55 135.00 134.06 3iyj n PRO 159 Ca -0.10 0.73 -0.37 0.00 -0.04 0.00 0.00 63.50 63.72 3iyj n PRO 159 Cb 0.54 -2.31 0.01 0.00 -0.04 0.00 0.00 33.50 31.71 3iyj n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iyj s ALA 160 N -1.04 2.88 -0.10 0.55 0.00 -1.26 -4.81 121.76 117.98 3iyj s ALA 160 Ca 0.56 1.09 -0.05 0.00 0.00 0.00 0.00 51.96 53.56 3iyj s ALA 160 Cb -0.58 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.04 3iyj s ALA 160 CO 0.61 -0.97 0.10 -1.21 0.00 0.00 0.00 175.76 174.29 3iyj s GLU 161 N -2.82 3.29 0.34 0.00 2.02 -1.26 -0.71 118.70 119.56 3iyj s GLU 161 Ca 0.68 -0.23 0.08 0.00 0.02 0.00 0.00 54.97 55.51 3iyj s GLU 161 Cb -0.33 -3.06 -0.07 0.00 0.10 0.00 0.00 34.13 30.77 3iyj s GLU 161 CO 0.40 0.75 -0.05 0.20 0.02 0.00 0.00 175.26 176.58 3iyj s GLY 162 N -1.05 2.18 0.17 -1.39 0.00 0.39 -2.47 107.32 105.16 3iyj s GLY 162 Ca 0.15 -2.10 0.07 0.00 0.00 0.00 0.00 44.72 42.84 3iyj s GLY 162 CO 0.04 -1.99 -0.13 -1.83 0.00 0.00 0.00 173.10 169.19 3iyj s GLU 163 N -3.69 1.20 0.14 2.90 -1.05 -1.05 -1.88 118.70 115.28 3iyj s GLU 163 Ca 0.33 -1.49 -0.25 0.00 -0.15 0.00 0.00 54.97 53.41 3iyj s GLU 163 Cb 0.05 -0.96 0.07 0.00 -0.44 0.00 0.00 34.13 32.85 3iyj s GLU 163 CO 0.16 0.16 0.92 1.52 0.95 0.00 0.00 175.26 178.96 3iyj s TYR 164 N -2.91 -0.19 -0.05 4.83 -0.00 -0.96 -3.21 117.35 114.87 3iyj s TYR 164 Ca 0.18 -0.10 0.00 0.00 -0.00 0.00 0.00 57.07 57.16 3iyj s TYR 164 Cb -0.01 0.63 -0.03 0.00 -0.00 0.00 0.00 41.96 42.55 3iyj s TYR 164 CO 0.04 -0.81 -0.02 -1.58 -0.00 0.00 0.00 175.55 173.18 3iyj s TRP 165 N -3.33 3.07 0.31 -3.49 0.52 0.24 -1.84 118.94 114.41 3iyj s TRP 165 Ca 0.10 0.11 0.06 0.00 0.02 0.00 0.00 56.10 56.39 3iyj s TRP 165 Cb -0.02 -1.73 -0.02 0.00 -1.15 0.00 0.00 33.47 30.56 3iyj s TRP 165 CO 0.00 0.43 0.29 0.25 0.02 0.00 0.00 176.95 177.94 3iyj n THR 166 N 1.91 0.00 -3.52 2.01 -2.24 -0.90 -3.18 114.28 108.35 3iyj n THR 166 Ca -0.17 -2.12 -0.38 0.00 -2.27 0.00 0.00 64.05 59.11 3iyj n THR 166 Cb 0.53 1.09 -0.10 0.00 -2.10 0.00 0.00 70.33 69.76 3iyj n THR 166 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3iyj s THR 167 N -3.15 5.27 0.08 4.28 2.01 -1.26 -1.69 115.64 121.17 3iyj s THR 167 Ca 0.35 0.36 -0.23 0.00 0.31 0.00 0.00 61.69 62.48 3iyj s THR 167 Cb 0.01 -3.60 -0.07 0.00 0.01 0.00 0.00 72.50 68.86 3iyj s THR 167 CO 0.25 0.24 0.69 0.00 -0.69 0.00 0.00 174.62 175.11 3iyj s ALA 168 N 1.65 3.47 0.17 7.40 0.00 -1.18 -4.94 121.76 128.33 3iyj s ALA 168 Ca 0.11 0.20 -0.32 0.00 0.00 0.00 0.00 51.96 51.95 3iyj s ALA 168 Cb -0.15 -2.85 -0.16 0.00 0.00 0.00 0.00 23.12 19.95 3iyj s ALA 168 CO 0.09 0.24 0.98 2.89 0.00 0.00 0.00 175.76 179.95 3iyj n ARG 169 N 2.14 0.73 -1.87 0.00 -4.01 -1.26 -4.55 116.66 107.85 3iyj n ARG 169 Ca -0.06 0.26 -0.32 0.00 -1.04 0.00 0.00 57.85 56.69 3iyj n ARG 169 Cb 0.50 -1.63 0.03 0.00 -3.04 0.00 0.00 32.46 28.32 3iyj n ARG 169 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 3iyj s PRO 170 N -0.61 3.17 0.70 2.89 0.04 -1.26 -5.03 135.00 134.90 3iyj s PRO 170 Ca 0.72 1.11 -0.13 0.00 0.04 0.00 0.00 61.00 62.75 3iyj s PRO 170 Cb -0.92 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 31.63 3iyj s PRO 170 CO 0.55 -0.92 1.09 0.00 0.04 0.00 0.00 177.00 177.76 3iyj h VAL 172 N -0.46 1.24 -1.07 0.00 2.07 -2.05 -3.43 116.25 112.54 3iyj h VAL 172 Ca -0.45 -0.62 -0.76 0.00 0.82 0.00 0.00 66.70 65.69 3iyj h VAL 172 Cb 1.24 0.19 0.06 0.00 -1.52 0.00 0.00 31.29 31.26 3iyj h VAL 172 CO 0.53 0.27 0.01 1.07 0.02 0.00 0.00 177.57 179.47 3iyj n THR 173 N -4.34 0.31 -3.90 2.57 5.66 -1.26 -4.88 114.28 108.43 3iyj n THR 173 Ca 0.08 -0.08 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 3iyj n THR 173 Cb 0.11 -0.08 -0.13 0.00 -1.55 0.00 0.00 70.33 68.68 3iyj n THR 173 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3iyj s ASP 174 N -0.11 4.94 -0.02 1.09 -1.08 -1.26 -4.76 116.67 115.47 3iyj s ASP 174 Ca 0.86 -1.67 0.03 0.00 -0.52 0.00 0.00 52.55 51.25 3iyj s ASP 174 Cb -1.19 -1.72 0.05 0.00 -1.46 0.00 0.00 42.92 38.60 3iyj s ASP 174 CO 0.56 -0.36 0.92 0.54 0.52 0.00 0.00 175.17 177.35 3iyj n ARG 175 N 4.53 0.37 -1.60 4.34 5.12 -1.26 -5.11 116.66 123.05 3iyj n ARG 175 Ca -0.07 -1.17 -0.33 0.00 -1.93 0.00 0.00 57.85 54.34 3iyj n ARG 175 Cb 0.42 -0.68 0.07 0.00 -1.16 0.00 0.00 32.46 31.11 3iyj n ARG 175 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3iyj s LEU 176 N -0.51 3.33 0.29 0.55 1.43 -1.26 -5.08 118.68 117.43 3iyj s LEU 176 Ca 0.05 2.11 0.02 0.00 -1.03 0.00 0.00 54.13 55.28 3iyj s LEU 176 Cb 0.04 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.68 3iyj s LEU 176 CO 0.00 -1.89 0.28 -1.61 0.23 0.00 0.00 176.35 173.37 3iyj s GLU 177 N -4.09 1.62 0.05 1.70 2.02 -1.26 -5.06 118.70 113.69 3iyj s GLU 177 Ca 0.69 -1.83 -0.15 0.00 0.02 0.00 0.00 54.97 53.69 3iyj s GLU 177 Cb -0.23 0.34 -0.28 0.00 0.10 0.00 0.00 34.13 34.06 3iyj s GLU 177 CO 0.44 -0.60 1.11 -0.91 0.02 0.00 0.00 175.26 175.31 3iyj h ASN 178 N 2.27 0.86 -0.33 -0.19 2.35 -2.04 -3.27 115.58 115.22 3iyj h ASN 178 Ca -0.29 -0.81 0.00 0.00 -0.55 0.00 0.00 56.30 54.66 3iyj h ASN 178 Cb 1.24 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.34 3iyj h ASN 178 CO 0.41 1.58 0.00 0.61 -1.65 0.00 0.00 177.43 178.38 3iyj n GLY 179 N 1.32 0.75 3.77 2.83 0.00 -1.26 -4.95 105.19 107.65 3iyj n GLY 179 Ca -0.13 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 3iyj n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyj s ALA 180 N -1.57 3.58 0.28 4.61 0.00 -1.24 -4.92 121.76 122.51 3iyj s ALA 180 Ca 0.29 1.49 -0.29 0.00 0.00 0.00 0.00 51.96 53.45 3iyj s ALA 180 Cb 0.16 -3.58 -0.10 0.00 0.00 0.00 0.00 23.12 19.59 3iyj s ALA 180 CO 0.22 -0.93 1.40 0.00 0.00 0.00 0.00 175.76 176.44 3iyj s PRO 182 N -0.89 3.96 0.70 0.00 0.04 -1.26 -5.04 135.00 132.51 3iyj s PRO 182 Ca 0.56 1.61 -0.11 0.00 0.04 0.00 0.00 61.00 63.10 3iyj s PRO 182 Cb -0.41 -2.45 0.01 0.00 0.04 0.00 0.00 34.50 31.69 3iyj s PRO 182 CO 0.47 -0.34 1.06 -2.14 0.04 0.00 0.00 177.00 176.10 3iyj s PRO 183 N -2.64 2.89 0.22 0.56 0.02 -1.26 -5.01 135.00 129.79 3iyj s PRO 183 Ca 0.61 0.83 0.07 0.00 0.02 0.00 0.00 61.00 62.53 3iyj s PRO 183 Cb -0.24 -1.99 -0.05 0.00 0.02 0.00 0.00 34.50 32.23 3iyj s PRO 183 CO 0.30 -1.10 -0.12 -0.51 -0.33 0.00 0.00 177.00 175.25 3iyj s LEU 184 N -5.51 2.52 -0.11 -5.54 1.43 -1.26 -3.12 118.68 107.09 3iyj s LEU 184 Ca 0.58 -1.07 -0.30 0.00 -1.03 0.00 0.00 54.13 52.31 3iyj s LEU 184 Cb -0.13 -0.64 0.09 0.00 0.03 0.00 0.00 46.19 45.54 3iyj s LEU 184 CO 0.54 -0.23 0.81 -0.70 0.23 0.00 0.00 176.35 177.01 3iyj s GLU 185 N -3.68 0.86 0.32 1.70 2.12 -0.68 -4.68 118.70 114.65 3iyj s GLU 185 Ca 0.24 0.25 -0.22 0.00 0.36 0.00 0.00 54.97 55.60 3iyj s GLU 185 Cb 0.01 0.40 -0.10 0.00 0.26 0.00 0.00 34.13 34.71 3iyj s GLU 185 CO 0.08 -0.26 0.87 -1.17 -0.54 0.00 0.00 175.26 174.24 3iyj s LEU 186 N -1.06 4.23 -0.02 2.70 2.96 -1.26 -2.13 118.68 124.11 3iyj s LEU 186 Ca -0.07 1.65 -0.06 0.00 -0.22 0.00 0.00 54.13 55.43 3iyj s LEU 186 Cb -0.01 -4.02 0.00 0.00 0.50 0.00 0.00 46.19 42.67 3iyj s LEU 186 CO 0.06 -0.11 0.13 -0.54 -1.32 0.00 0.00 176.35 174.57 3iyj s LYS 187 N -2.35 0.37 0.29 1.98 1.02 -0.77 -4.97 119.74 115.31 3iyj s LYS 187 Ca 0.51 -0.20 0.06 0.00 0.02 0.00 0.00 55.97 56.36 3iyj s LYS 187 Cb -0.15 0.16 -0.02 0.00 -0.52 0.00 0.00 37.83 37.29 3iyj s LYS 187 CO 0.20 -0.08 0.39 -0.80 -0.92 0.00 0.00 175.35 174.14 3iyj s ASN 188 N -0.88 6.05 0.04 2.83 -0.87 -1.26 -2.26 114.94 118.60 3iyj s ASN 188 Ca -0.10 -0.10 -0.28 0.00 -1.57 0.00 0.00 52.86 50.82 3iyj s ASN 188 Cb -0.05 -1.51 0.09 0.00 -0.02 0.00 0.00 41.25 39.76 3iyj s ASN 188 CO 0.01 -0.23 0.98 -0.75 -2.57 0.00 0.00 177.10 174.53 3iyj s LYS 189 N -4.05 0.88 0.48 -0.60 2.20 -0.79 -4.97 119.74 112.89 3iyj s LYS 189 Ca 0.39 -0.41 -0.01 0.00 -0.36 0.00 0.00 55.97 55.58 3iyj s LYS 189 Cb -0.09 0.35 0.00 0.00 -1.51 0.00 0.00 37.83 36.58 3iyj s LYS 189 CO 0.29 -0.40 0.72 -1.01 -0.36 0.00 0.00 175.35 174.60 3iyj s HIS 190 N -3.06 3.21 -0.28 4.03 3.76 -1.26 -0.46 115.29 121.22 3iyj s HIS 190 Ca 0.09 0.30 -0.16 0.00 -0.15 0.00 0.00 55.06 55.13 3iyj s HIS 190 Cb -0.01 -2.42 -0.03 0.00 1.11 0.00 0.00 32.58 31.23 3iyj s HIS 190 CO -0.04 -0.48 0.42 0.42 -0.85 0.00 0.00 174.74 174.21 3iyj s ILE 191 N -2.65 5.13 0.10 0.60 1.01 0.11 -4.75 121.20 120.75 3iyj s ILE 191 Ca 0.50 0.58 0.01 0.00 0.00 0.00 0.00 60.65 61.74 3iyj s ILE 191 Cb -0.10 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.62 3iyj s ILE 191 CO 0.39 0.08 0.14 -0.62 0.00 0.00 0.00 174.94 174.93 3iyj n GLU 192 N 5.43 0.74 -0.09 2.79 1.02 -1.26 -4.70 120.64 124.57 3iyj n GLU 192 Ca -0.07 -0.46 -0.13 0.00 -0.02 0.00 0.00 57.16 56.48 3iyj n GLU 192 Cb 0.50 -0.07 -0.02 0.00 -0.02 0.00 0.00 31.44 31.84 3iyj n GLU 192 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 3iyj h ASP 193 N -0.03 0.94 -2.11 1.62 1.82 -1.71 -3.36 116.42 113.58 3iyj h ASP 193 Ca -0.05 -0.47 -0.70 0.00 -0.39 0.00 0.00 57.03 55.43 3iyj h ASP 193 Cb 0.19 -0.27 -0.34 0.00 0.68 0.00 0.00 39.33 39.59 3iyj h ASP 193 CO 0.06 1.26 0.22 0.61 -1.61 0.00 0.00 179.24 179.77 3iyj n GLY 194 N 0.24 5.85 3.96 -0.78 0.00 -1.26 -4.31 105.19 108.88 3iyj n GLY 194 Ca -0.03 -2.66 -0.19 0.00 0.00 0.00 0.00 46.02 43.13 3iyj n GLY 194 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iyj s ASP 195 N -2.35 5.71 -0.02 1.61 1.01 -1.26 -4.98 116.67 116.39 3iyj s ASP 195 Ca 0.46 -0.33 -0.14 0.00 0.71 0.00 0.00 52.55 53.24 3iyj s ASP 195 Cb 0.29 -1.02 -0.05 0.00 1.01 0.00 0.00 42.92 43.14 3iyj s ASP 195 CO -0.19 -0.49 0.38 -0.04 0.21 0.00 0.00 175.17 175.04 3iyj s MET 196 N -4.17 3.90 0.71 8.23 -1.94 -1.16 -2.79 119.30 122.09 3iyj s MET 196 Ca 0.46 0.35 -0.11 0.00 -1.71 0.00 0.00 55.69 54.68 3iyj s MET 196 Cb -0.08 -3.24 0.01 0.00 2.01 0.00 0.00 34.83 33.53 3iyj s MET 196 CO 0.30 0.66 1.08 1.41 -0.01 0.00 0.00 175.02 178.46 3iyj s MET 197 N -0.92 2.86 -0.49 2.03 1.75 -0.62 -2.40 119.30 121.51 3iyj s MET 197 Ca 0.23 0.61 -0.24 0.00 -1.25 0.00 0.00 55.69 55.04 3iyj s MET 197 Cb -0.16 -2.01 0.03 0.00 2.84 0.00 0.00 34.83 35.53 3iyj s MET 197 CO 0.12 -1.07 0.86 -2.00 -0.65 0.00 0.00 175.02 172.29 3iyj s GLU 198 N -5.25 3.40 -0.88 4.11 -6.30 -1.26 -4.75 118.70 107.77 3iyj s GLU 198 Ca 0.58 -0.13 -0.07 0.00 -2.50 0.00 0.00 54.97 52.85 3iyj s GLU 198 Cb -0.12 -3.98 0.22 0.00 0.00 0.00 0.00 34.13 30.25 3iyj s GLU 198 CO 0.53 -1.27 0.80 0.42 0.02 0.00 0.00 175.26 175.76 3iyj s ILE 199 N 3.59 5.00 0.00 -3.70 1.01 -1.26 -4.75 121.20 121.09 3iyj s ILE 199 Ca 0.31 -3.23 0.00 0.00 0.00 0.00 0.00 60.65 57.73 3iyj s ILE 199 Cb -0.12 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.26 3iyj s ILE 199 CO 0.22 -1.06 0.00 0.61 0.00 0.00 0.00 174.94 174.71 3iyj n GLY 200 N 3.06 1.41 3.47 6.18 0.00 -1.26 -4.90 105.19 113.15 3iyj n GLY 200 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 3iyj n GLY 200 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iyj s PHE 201 N -0.44 2.36 0.82 1.61 0.08 -1.26 -4.83 117.98 116.32 3iyj s PHE 201 Ca 0.00 -0.32 -0.15 0.00 0.12 0.00 0.00 56.93 56.58 3iyj s PHE 201 Cb 0.00 -1.11 -0.02 0.00 -0.57 0.00 0.00 43.02 41.32 3iyj s PHE 201 CO 0.00 0.58 0.38 0.41 -0.10 0.00 0.00 175.22 176.49 3iyj n GLY 202 N -0.12 -1.97 3.67 4.36 0.00 -1.26 -4.91 105.19 104.96 3iyj n GLY 202 Ca -0.09 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 3iyj n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyj s ALA 203 N -2.10 3.49 -0.10 4.61 0.00 -1.26 -4.95 121.76 121.44 3iyj s ALA 203 Ca 0.60 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.24 3iyj s ALA 203 Cb -0.29 -3.13 0.12 0.00 0.00 0.00 0.00 23.12 19.83 3iyj s ALA 203 CO 0.63 -0.54 0.99 0.00 0.00 0.00 0.00 175.76 176.85 3iyj s ALA 204 N 1.88 -1.91 -0.80 0.00 0.00 -1.22 0.79 121.76 120.49 3iyj s ALA 204 Ca 0.36 1.36 -0.26 0.00 0.00 0.00 0.00 51.96 53.42 3iyj s ALA 204 Cb -0.17 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.80 3iyj s ALA 204 CO 0.13 -0.51 1.42 0.54 0.00 0.00 0.00 175.76 177.34 3iyj s ASN 205 N -1.83 6.09 0.61 0.00 4.22 -1.19 -3.55 114.94 119.29 3iyj s ASN 205 Ca 0.03 -0.60 0.38 0.00 -2.14 0.00 0.00 52.86 50.53 3iyj s ASN 205 Cb -0.01 -2.56 1.95 0.00 1.28 0.00 0.00 41.25 41.91 3iyj s ASN 205 CO -0.04 -1.86 2.21 -0.26 -2.04 0.00 0.00 177.10 175.11 3iyj h PHE 206 N 10.60 0.00 -1.30 1.54 0.04 -1.89 -2.89 116.94 123.04 3iyj h PHE 206 Ca -0.15 0.00 0.38 0.00 2.80 0.00 0.00 57.97 61.00 3iyj h PHE 206 Cb 1.05 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.12 3iyj h PHE 206 CO 1.16 0.02 0.89 0.87 -0.60 0.00 0.00 178.31 180.65 3iyj h LYS 207 N 0.00 0.11 -0.29 1.51 1.57 -1.84 1.08 116.57 118.71 3iyj h LYS 207 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3iyj h LYS 207 Cb 0.20 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3iyj h LYS 207 CO 0.00 0.07 0.00 0.39 -0.57 0.00 0.00 179.45 179.35 3iyj n GLU 208 N -4.37 2.15 -0.05 3.15 1.02 -1.09 -4.49 120.64 116.96 3iyj n GLU 208 Ca 0.31 -1.99 -0.06 0.00 -0.02 0.00 0.00 57.16 55.40 3iyj n GLU 208 Cb 1.31 -1.40 -0.07 0.00 -0.02 0.00 0.00 31.44 31.27 3iyj n GLU 208 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3iyj n ILE 209 N 1.10 0.69 -3.40 -3.67 2.08 0.34 -4.84 119.36 111.67 3iyj n ILE 209 Ca 0.15 -0.36 -0.44 0.00 0.56 0.00 0.00 62.75 62.66 3iyj n ILE 209 Cb 0.50 -0.83 -0.07 0.00 -0.75 0.00 0.00 39.64 38.50 3iyj n ILE 209 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3iyj s ASN 210 N -4.62 6.04 0.00 4.38 3.84 0.41 -4.81 114.94 120.17 3iyj s ASN 210 Ca -0.10 -1.70 0.24 0.00 0.21 0.00 0.00 52.86 51.50 3iyj s ASN 210 Cb 0.03 -2.15 0.33 0.00 -0.55 0.00 0.00 41.25 38.92 3iyj s ASN 210 CO 0.35 -0.76 1.34 0.00 -2.79 0.00 0.00 177.10 175.25 3iyj n ALA 211 N 5.14 2.44 -0.06 1.71 0.00 -1.26 -4.29 120.51 124.20 3iyj n ALA 211 Ca -0.12 -0.86 -0.02 0.00 0.00 0.00 0.00 53.44 52.44 3iyj n ALA 211 Cb 0.41 -0.85 -0.14 0.00 0.00 0.00 0.00 19.45 18.87 3iyj n ALA 211 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3iyj n SER 212 N 1.44 0.79 0.00 0.00 7.64 -1.26 -4.98 113.62 117.25 3iyj n SER 212 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 3iyj n SER 212 Cb 0.61 1.27 0.00 0.00 -1.01 0.00 0.00 64.21 65.08 3iyj n SER 212 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3iyj n LYS 213 N -2.44 -0.01 -0.09 1.43 4.76 -1.26 -4.75 118.16 115.79 3iyj n LYS 213 Ca -0.18 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.31 3iyj n LYS 213 Cb 0.84 -3.01 0.10 0.00 -1.84 0.00 0.00 35.03 31.12 3iyj n LYS 213 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3iyj n SER 214 N -0.01 2.43 -0.95 4.39 3.41 -1.26 -4.65 113.62 116.98 3iyj n SER 214 Ca 0.00 -1.77 0.12 0.00 -0.26 0.00 0.00 58.87 56.96 3iyj n SER 214 Cb 0.00 -0.12 0.23 0.00 -0.26 0.00 0.00 64.21 64.06 3iyj n SER 214 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3iyj n ASP 215 N 0.45 2.90 -4.16 4.04 9.92 -1.26 -1.07 116.55 127.37 3iyj n ASP 215 Ca 0.08 -1.92 -0.10 0.00 -0.53 0.00 0.00 54.79 52.33 3iyj n ASP 215 Cb 0.34 -0.13 -0.10 0.00 -0.64 0.00 0.00 41.12 40.59 3iyj n ASP 215 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3iyj s LEU 216 N -1.70 1.64 0.26 0.64 1.43 -1.26 -5.03 118.68 114.66 3iyj s LEU 216 Ca 0.34 -1.24 -0.30 0.00 -1.03 0.00 0.00 54.13 51.91 3iyj s LEU 216 Cb 0.21 0.32 -0.09 0.00 0.03 0.00 0.00 46.19 46.66 3iyj s LEU 216 CO 0.31 -0.75 1.01 -2.84 0.23 0.00 0.00 176.35 174.30 3iyj s PRO 217 N -4.07 4.76 0.37 1.29 0.02 -1.26 -4.83 135.00 131.27 3iyj s PRO 217 Ca 0.27 1.63 0.10 0.00 0.02 0.00 0.00 61.00 63.02 3iyj s PRO 217 Cb 0.07 -3.23 0.85 0.00 0.02 0.00 0.00 34.50 32.21 3iyj s PRO 217 CO 0.04 0.38 1.88 1.25 -0.33 0.00 0.00 177.00 180.21 3iyj h LEU 218 N 3.98 0.62 -0.98 -5.54 5.85 -1.25 0.16 115.31 118.15 3iyj h LEU 218 Ca -0.46 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 3iyj h LEU 218 Cb 1.21 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 3iyj h LEU 218 CO 0.67 0.31 0.34 -2.24 -0.34 0.00 0.00 178.44 177.19 3iyj h ASP 219 N 0.65 0.97 0.23 1.25 2.03 -1.77 -3.26 116.42 116.52 3iyj h ASP 219 Ca 0.44 -0.12 -0.34 0.00 -0.73 0.00 0.00 57.03 56.28 3iyj h ASP 219 Cb 0.73 -0.25 0.03 0.00 -0.83 0.00 0.00 39.33 39.01 3iyj h ASP 219 CO -0.19 0.83 -1.57 -0.29 -1.03 0.00 0.00 179.24 176.99 3iyj h ILE 220 N 1.06 1.15 -1.60 4.15 -0.00 -0.96 -3.45 117.51 117.86 3iyj h ILE 220 Ca 0.26 -2.62 -0.63 0.00 -0.00 0.00 0.00 64.86 61.87 3iyj h ILE 220 Cb 0.13 2.94 0.14 0.00 -0.00 0.00 0.00 36.82 40.03 3iyj h ILE 220 CO -0.03 0.82 -0.73 1.67 -0.00 0.00 0.00 178.15 179.88 3iyj n GLN 221 N -3.69 0.11 -0.96 2.19 7.27 -0.95 -2.22 117.38 119.13 3iyj n GLN 221 Ca -0.20 0.04 0.00 0.00 0.07 0.00 0.00 57.00 56.91 3iyj n GLN 221 Cb 1.08 -1.09 0.00 0.00 2.41 0.00 0.00 30.24 32.64 3iyj n GLN 221 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 3iyj n ASN 222 N 2.07 -4.32 -4.68 1.69 5.15 -1.26 -4.97 115.26 108.94 3iyj n ASN 222 Ca 0.13 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.86 3iyj n ASN 222 Cb 0.35 -2.31 -0.09 0.00 -0.53 0.00 0.00 39.78 37.21 3iyj n ASN 222 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3iyj s GLU 223 N -1.20 2.11 -0.31 1.20 2.02 -0.94 -4.74 118.70 116.84 3iyj s GLU 223 Ca 0.00 -1.90 -0.08 0.00 0.02 0.00 0.00 54.97 53.02 3iyj s GLU 223 Cb 0.00 -1.87 0.01 0.00 0.10 0.00 0.00 34.13 32.37 3iyj s GLU 223 CO 0.00 -0.03 0.11 0.42 0.02 0.00 0.00 175.26 175.77 3iyj s ILE 224 N -2.61 4.14 -0.39 -1.63 1.01 -1.26 -3.33 121.20 117.13 3iyj s ILE 224 Ca 0.38 -0.68 -0.28 0.00 0.00 0.00 0.00 60.65 60.07 3iyj s ILE 224 Cb 0.05 -3.16 0.02 0.00 0.01 0.00 0.00 42.46 39.38 3iyj s ILE 224 CO 0.20 0.03 1.04 0.00 0.00 0.00 0.00 174.94 176.22 3iyj n LEU 226 N 7.14 0.00 -3.49 0.00 4.77 -1.01 -3.44 117.00 120.97 3iyj n LEU 226 Ca 0.10 -1.98 -0.11 0.00 -0.03 0.00 0.00 56.01 53.98 3iyj n LEU 226 Cb 0.48 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3iyj n LEU 226 CO 0.63 -0.71 0.35 -0.47 -1.33 0.00 0.00 177.39 175.85 3iyj s TYR 227 N -2.03 -0.44 -0.30 -1.77 5.04 -1.20 -4.31 117.35 112.35 3iyj s TYR 227 Ca 0.50 0.19 -0.27 0.00 -2.44 0.00 0.00 57.07 55.06 3iyj s TYR 227 Cb -0.04 0.49 0.01 0.00 0.35 0.00 0.00 41.96 42.77 3iyj s TYR 227 CO 0.32 -0.83 0.95 -2.14 -1.34 0.00 0.00 175.55 172.51 3iyj s PRO 228 N -3.77 4.06 -1.38 4.97 0.02 -1.26 -2.52 135.00 135.11 3iyj s PRO 228 Ca 0.02 0.92 -0.11 0.00 0.02 0.00 0.00 61.00 61.85 3iyj s PRO 228 Cb -0.01 -3.72 0.09 0.00 0.02 0.00 0.00 34.50 30.89 3iyj s PRO 228 CO -0.12 -0.77 2.12 -3.47 -0.33 0.00 0.00 177.00 174.44 3iyj n ASP 229 N 6.51 4.87 -0.32 2.53 -0.08 -1.03 -4.75 116.55 124.28 3iyj n ASP 229 Ca 0.09 -2.96 0.21 0.00 -1.51 0.00 0.00 54.79 50.61 3iyj n ASP 229 Cb 0.47 -1.56 0.48 0.00 2.34 0.00 0.00 41.12 42.85 3iyj n ASP 229 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3iyj h TYR 230 N 5.76 0.73 -0.36 -0.67 -1.99 -1.91 -0.65 116.97 117.88 3iyj h TYR 230 Ca 0.51 0.02 0.05 0.00 2.00 0.00 0.00 58.73 61.32 3iyj h TYR 230 Cb 0.60 -0.21 -0.04 0.00 2.00 0.00 0.00 36.73 39.07 3iyj h TYR 230 CO 1.40 0.08 0.10 -0.07 -0.00 0.00 0.00 178.16 179.67 3iyj h LEU 231 N 0.45 0.07 -0.49 3.88 3.38 -1.99 -1.51 115.31 119.10 3iyj h LEU 231 Ca 0.59 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.60 3iyj h LEU 231 Cb 1.39 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 3iyj h LEU 231 CO -0.32 0.08 0.25 0.50 0.09 0.00 0.00 178.44 179.04 3iyj h LYS 232 N 0.24 0.70 -0.65 1.13 1.63 -1.53 -2.90 116.57 115.19 3iyj h LYS 232 Ca 0.17 -0.10 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 3iyj h LYS 232 Cb 0.17 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.64 3iyj h LYS 232 CO -0.20 0.57 0.38 0.52 -3.45 0.00 0.00 179.45 177.28 3iyj h MET 233 N 0.65 0.87 0.00 1.90 2.86 -1.12 -1.70 114.93 118.38 3iyj h MET 233 Ca 0.17 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3iyj h MET 233 Cb 0.10 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.57 3iyj h MET 233 CO -0.02 0.62 0.00 0.00 1.06 0.00 0.00 176.91 178.56 3iyj n ALA 234 N -2.44 2.22 -0.09 6.32 0.00 -0.60 -3.77 120.51 122.14 3iyj n ALA 234 Ca 0.06 -0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 3iyj n ALA 234 Cb 0.07 -1.41 -0.15 0.00 0.00 0.00 0.00 19.45 17.96 3iyj n ALA 234 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3iyj n GLU 235 N -1.41 0.68 -1.68 0.00 2.13 -0.65 -4.96 120.64 114.75 3iyj n GLU 235 Ca 0.09 0.04 -0.46 0.00 0.66 0.00 0.00 57.16 57.49 3iyj n GLU 235 Cb 0.26 -1.55 -0.04 0.00 0.27 0.00 0.00 31.44 30.38 3iyj n GLU 235 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3iyj n ASP 236 N -2.83 3.35 0.10 4.31 8.00 -1.14 -4.89 116.55 123.45 3iyj n ASP 236 Ca -0.33 1.05 -0.12 0.00 0.71 0.00 0.00 54.79 56.10 3iyj n ASP 236 Cb 1.13 -1.45 -0.05 0.00 -0.02 0.00 0.00 41.12 40.73 3iyj n ASP 236 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iyj h ALA 237 N 6.82 -0.44 -0.20 2.24 0.00 -1.93 -2.92 119.26 122.84 3iyj h ALA 237 Ca -0.45 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.45 3iyj h ALA 237 Cb 1.25 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 19.43 3iyj h ALA 237 CO 0.91 -0.80 -0.45 0.00 0.00 0.00 0.00 179.25 178.92 3iyj h ALA 238 N 0.28 -0.76 0.00 0.00 0.00 -1.94 -3.26 119.26 113.57 3iyj h ALA 238 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3iyj h ALA 238 Cb 0.51 0.98 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3iyj h ALA 238 CO -0.17 -0.95 0.00 0.41 0.00 0.00 0.00 179.25 178.54 3iyj n GLY 239 N -1.33 0.68 0.43 0.00 0.00 -1.10 -2.97 105.19 100.89 3iyj n GLY 239 Ca -0.04 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.23 3iyj n GLY 239 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3iyj h ASN 240 N 0.00 0.03 -0.77 1.61 4.21 -1.88 -1.50 115.58 117.28 3iyj h ASN 240 Ca 0.00 0.00 0.15 0.00 1.21 0.00 0.00 56.30 57.66 3iyj h ASN 240 Cb 0.00 -0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 37.10 3iyj h ASN 240 CO 0.00 0.01 0.31 0.28 -1.29 0.00 0.00 177.43 176.74 3iyj h SER 241 N 0.03 0.28 -2.70 5.81 0.02 -1.90 0.11 113.55 115.22 3iyj h SER 241 Ca 0.37 0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.39 3iyj h SER 241 Cb 1.42 0.09 -0.24 0.00 0.14 0.00 0.00 62.40 63.81 3iyj h SER 241 CO -0.02 0.09 -0.22 0.00 -1.14 0.00 0.00 176.83 175.55 3iyj s MET 242 N -6.01 0.47 0.12 3.45 0.23 -0.57 -4.44 119.30 112.57 3iyj s MET 242 Ca -0.12 1.10 -0.14 0.00 -1.03 0.00 0.00 55.69 55.50 3iyj s MET 242 Cb 0.21 0.31 -0.03 0.00 -1.53 0.00 0.00 34.83 33.79 3iyj s MET 242 CO 0.77 -0.19 1.52 0.74 -2.03 0.00 0.00 175.02 175.83 3iyj h PHE 243 N 7.62 0.85 -2.50 3.16 0.04 0.33 -3.43 116.94 123.01 3iyj h PHE 243 Ca -0.25 -0.19 0.02 0.00 2.80 0.00 0.00 57.97 60.35 3iyj h PHE 243 Cb 1.15 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 39.09 3iyj h PHE 243 CO 0.20 0.90 0.23 1.97 -0.60 0.00 0.00 178.31 181.01 3iyj n PHE 244 N -4.34 -1.64 -3.65 -0.55 1.16 -1.24 -3.31 117.46 103.89 3iyj n PHE 244 Ca -0.01 -1.07 -0.02 0.00 -1.87 0.00 0.00 57.45 54.48 3iyj n PHE 244 Cb 0.36 0.53 -0.03 0.00 -1.61 0.00 0.00 39.48 38.74 3iyj n PHE 244 CO 0.00 0.00 0.00 -0.59 -1.87 0.00 0.00 176.76 174.30 3iyj s PHE 245 N -4.35 -0.02 0.03 2.97 -0.12 -1.26 -3.60 117.98 111.63 3iyj s PHE 245 Ca 0.11 0.02 0.01 0.00 -0.05 0.00 0.00 56.93 57.02 3iyj s PHE 245 Cb -0.03 0.50 -0.02 0.00 -0.63 0.00 0.00 43.02 42.84 3iyj s PHE 245 CO 0.06 -0.02 -0.05 0.00 -0.05 0.00 0.00 175.22 175.16 3iyj s ALA 246 N -1.63 0.37 -0.15 1.99 0.00 -0.72 -5.01 121.76 116.60 3iyj s ALA 246 Ca 0.11 -0.62 -0.13 0.00 0.00 0.00 0.00 51.96 51.32 3iyj s ALA 246 Cb -0.01 0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.22 3iyj s ALA 246 CO -0.05 -0.06 0.39 -0.98 0.00 0.00 0.00 175.76 175.06 3iyj s ARG 247 N -1.35 0.44 -0.07 0.00 1.70 -1.26 -2.15 118.95 116.26 3iyj s ARG 247 Ca -0.11 0.58 -0.03 0.00 -0.47 0.00 0.00 55.73 55.70 3iyj s ARG 247 Cb -0.09 0.17 0.04 0.00 -0.57 0.00 0.00 34.95 34.51 3iyj s ARG 247 CO -0.00 -0.07 0.13 0.15 -1.08 0.00 0.00 175.30 174.43 3iyj s LYS 248 N 0.42 0.03 -0.23 3.89 1.02 -1.04 -5.00 119.74 118.83 3iyj s LYS 248 Ca -0.02 0.45 -0.11 0.00 0.02 0.00 0.00 55.97 56.31 3iyj s LYS 248 Cb -0.04 -0.28 0.08 0.00 -0.52 0.00 0.00 37.83 37.07 3iyj s LYS 248 CO -0.02 -0.26 0.53 -1.83 -0.92 0.00 0.00 175.35 172.85 3iyj s GLU 249 N 1.86 0.51 0.08 1.68 -1.05 -1.26 -0.82 118.70 119.70 3iyj s GLU 249 Ca -0.01 1.05 0.08 0.00 -0.15 0.00 0.00 54.97 55.94 3iyj s GLU 249 Cb -0.12 0.19 -0.03 0.00 -0.44 0.00 0.00 34.13 33.73 3iyj s GLU 249 CO -0.05 -0.17 -0.21 -0.65 0.95 0.00 0.00 175.26 175.12 3iyj s GLN 250 N 1.84 1.25 0.20 -4.83 -0.21 -0.82 -4.98 119.66 112.11 3iyj s GLN 250 Ca -0.08 -1.09 -0.23 0.00 0.02 0.00 0.00 55.36 53.98 3iyj s GLN 250 Cb -0.08 -1.47 0.05 0.00 1.00 0.00 0.00 33.01 32.50 3iyj s GLN 250 CO -0.16 0.36 0.81 0.54 -2.12 0.00 0.00 175.29 174.72 3iyj s VAL 251 N -1.01 0.00 -0.20 1.09 0.11 -1.26 -3.87 120.40 115.25 3iyj s VAL 251 Ca 0.07 -0.69 -0.34 0.00 -2.93 0.00 0.00 61.98 58.10 3iyj s VAL 251 Cb -0.10 -1.81 0.14 0.00 -1.53 0.00 0.00 36.38 33.09 3iyj s VAL 251 CO 0.03 0.00 1.21 -0.72 -3.33 0.00 0.00 175.10 172.29 3iyj s TYR 252 N -3.61 -0.14 0.47 1.54 -0.85 -1.03 -4.95 117.35 108.79 3iyj s TYR 252 Ca 0.10 0.12 -0.23 0.00 -0.52 0.00 0.00 57.07 56.54 3iyj s TYR 252 Cb -0.03 0.51 -0.07 0.00 0.38 0.00 0.00 41.96 42.74 3iyj s TYR 252 CO 0.02 -0.19 1.21 0.14 -1.52 0.00 0.00 175.55 175.20 3iyj s VAL 253 N -2.14 2.88 0.00 -3.49 -7.23 -1.26 -0.98 120.40 108.18 3iyj s VAL 253 Ca 0.08 0.67 0.00 0.00 -1.81 0.00 0.00 61.98 60.93 3iyj s VAL 253 Cb -0.01 -3.34 0.00 0.00 0.56 0.00 0.00 36.38 33.59 3iyj s VAL 253 CO -0.05 0.00 0.00 -1.14 -0.31 0.00 0.00 175.10 173.60 3iyj n ARG 254 N -0.53 2.22 -3.92 4.82 0.63 -1.03 -4.85 116.66 114.00 3iyj n ARG 254 Ca 0.08 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.92 3iyj n ARG 254 Cb 0.47 -0.82 -0.04 0.00 0.45 0.00 0.00 32.46 32.53 3iyj n ARG 254 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3iyj s HIS 255 N -1.27 0.12 -0.05 -0.14 3.76 -1.26 -4.99 115.29 111.45 3iyj s HIS 255 Ca 0.00 -0.51 -0.01 0.00 -0.15 0.00 0.00 55.06 54.39 3iyj s HIS 255 Cb 0.00 0.39 0.03 0.00 1.11 0.00 0.00 32.58 34.11 3iyj s HIS 255 CO 0.00 -1.06 0.02 0.42 -0.85 0.00 0.00 174.74 173.26 3iyj s ILE 256 N -3.97 0.21 0.53 0.60 1.01 -1.26 -2.62 121.20 115.69 3iyj s ILE 256 Ca 0.17 0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.01 3iyj s ILE 256 Cb -0.02 -0.37 -0.00 0.00 0.01 0.00 0.00 42.46 42.07 3iyj s ILE 256 CO 0.07 0.21 0.00 0.26 0.00 0.00 0.00 174.94 175.48 3iyj s TRP 257 N 1.79 1.75 -0.03 3.97 0.51 -0.56 -3.01 118.94 123.35 3iyj s TRP 257 Ca 0.01 -1.01 0.01 0.00 -2.12 0.00 0.00 56.10 52.99 3iyj s TRP 257 Cb -0.13 -1.57 0.02 0.00 -0.81 0.00 0.00 33.47 30.98 3iyj s TRP 257 CO -0.04 0.18 -0.05 0.95 -0.51 0.00 0.00 176.95 177.49 3iyj s THR 258 N -2.91 0.50 1.28 2.01 -4.23 -0.98 -2.37 115.64 108.93 3iyj s THR 258 Ca 0.01 -0.14 -0.17 0.00 -1.18 0.00 0.00 61.69 60.21 3iyj s THR 258 Cb 0.00 -0.50 0.32 0.00 1.34 0.00 0.00 72.50 73.66 3iyj s THR 258 CO 0.00 0.20 0.99 -0.13 -0.54 0.00 0.00 174.62 175.14 3iyj s ARG 259 N 0.67 -1.86 -0.12 3.99 1.81 -1.18 -0.62 118.95 121.65 3iyj s ARG 259 Ca -0.09 0.48 0.14 0.00 -1.72 0.00 0.00 55.73 54.54 3iyj s ARG 259 Cb -0.12 -1.47 0.32 0.00 -0.45 0.00 0.00 34.95 33.23 3iyj s ARG 259 CO 0.00 -4.25 1.16 0.41 -0.68 0.00 0.00 175.30 171.93 3iyj n GLY 260 N 0.97 3.62 3.90 -3.53 0.00 -1.26 -4.24 105.19 104.64 3iyj n GLY 260 Ca 0.07 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 3iyj n GLY 260 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iyj s GLY 261 N -2.56 1.86 0.50 -0.02 0.00 -1.26 -4.98 107.32 100.85 3iyj s GLY 261 Ca 0.30 -0.53 -0.22 0.00 0.00 0.00 0.00 44.72 44.27 3iyj s GLY 261 CO -0.05 -0.41 1.25 -0.45 0.00 0.00 0.00 173.10 173.44 3iyj s SER 262 N -3.18 5.77 -0.18 1.64 0.15 -1.26 -4.10 113.70 112.54 3iyj s SER 262 Ca 0.45 2.50 -0.09 0.00 0.70 0.00 0.00 55.95 59.51 3iyj s SER 262 Cb -0.11 -2.62 -0.05 0.00 -1.71 0.00 0.00 66.02 61.54 3iyj s SER 262 CO 0.30 -1.21 0.14 -1.61 1.20 0.00 0.00 173.24 172.06 3iyj s GLU 263 N -2.80 4.01 0.00 5.44 2.02 -1.26 -4.95 118.70 121.16 3iyj s GLU 263 Ca 0.67 -0.19 0.24 0.00 0.02 0.00 0.00 54.97 55.71 3iyj s GLU 263 Cb -0.34 -3.36 0.17 0.00 0.10 0.00 0.00 34.13 30.70 3iyj s GLU 263 CO 0.40 0.42 1.22 1.63 0.02 0.00 0.00 175.26 178.95 3iyj n LYS 264 N 3.14 1.62 -3.21 1.61 4.76 -1.26 -4.80 118.16 120.02 3iyj n LYS 264 Ca -0.17 -1.31 -0.01 0.00 -2.87 0.00 0.00 58.31 53.95 3iyj n LYS 264 Cb 0.53 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 32.22 3iyj n LYS 264 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3iyj s GLU 265 N -2.28 0.50 0.39 1.97 -1.05 -1.26 -5.16 118.70 111.81 3iyj s GLU 265 Ca 0.23 0.53 0.08 0.00 -0.15 0.00 0.00 54.97 55.66 3iyj s GLU 265 Cb 0.19 0.08 -0.01 0.00 -0.44 0.00 0.00 34.13 33.95 3iyj s GLU 265 CO 0.46 -0.91 0.47 0.00 0.95 0.00 0.00 175.26 176.22 3iyj s ALA 266 N 2.73 4.27 0.05 -0.84 0.00 -1.26 -5.00 121.76 121.71 3iyj s ALA 266 Ca 0.12 -1.67 -0.31 0.00 0.00 0.00 0.00 51.96 50.11 3iyj s ALA 266 Cb -0.12 -1.44 -0.07 0.00 0.00 0.00 0.00 23.12 21.49 3iyj s ALA 266 CO -0.25 -0.17 1.42 -1.25 0.00 0.00 0.00 175.76 175.51 3iyj s PRO 267 N -4.21 4.29 1.01 0.00 0.04 -1.26 -4.98 135.00 129.89 3iyj s PRO 267 Ca 0.49 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.45 3iyj s PRO 267 Cb -0.08 -3.45 0.14 0.00 0.04 0.00 0.00 34.50 31.16 3iyj s PRO 267 CO 0.31 -0.53 0.77 2.41 0.04 0.00 0.00 177.00 179.99 3iyj n THR 268 N 4.38 0.00 0.13 1.26 -1.04 -1.26 -4.50 114.28 113.25 3iyj n THR 268 Ca 0.13 -0.18 0.08 0.00 -2.04 0.00 0.00 64.05 62.03 3iyj n THR 268 Cb 0.43 -0.84 0.40 0.00 -1.82 0.00 0.00 70.33 68.50 3iyj n THR 268 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3iyj n THR 269 N -4.25 1.04 0.79 12.58 -2.24 -1.26 -0.83 114.28 120.11 3iyj n THR 269 Ca 0.07 0.69 0.13 0.00 -2.27 0.00 0.00 64.05 62.67 3iyj n THR 269 Cb 0.54 -1.69 0.51 0.00 -2.10 0.00 0.00 70.33 67.59 3iyj n THR 269 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3iyj n ASP 270 N -2.03 0.25 -0.05 3.42 5.75 -1.26 -3.93 116.55 118.69 3iyj n ASP 270 Ca -0.01 0.53 -0.10 0.00 -0.01 0.00 0.00 54.79 55.20 3iyj n ASP 270 Cb 0.13 -0.59 -0.04 0.00 -1.03 0.00 0.00 41.12 39.58 3iyj n ASP 270 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3iyj n PHE 271 N -1.74 0.00 -3.37 2.11 3.72 -0.01 -4.98 117.46 113.20 3iyj n PHE 271 Ca 0.06 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.05 3iyj n PHE 271 Cb 0.33 -0.40 -0.09 0.00 -0.94 0.00 0.00 39.48 38.38 3iyj n PHE 271 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3iyj s TYR 272 N -2.21 3.22 -0.26 1.38 5.04 -1.01 -5.05 117.35 118.45 3iyj s TYR 272 Ca -0.15 0.16 -0.18 0.00 -2.44 0.00 0.00 57.07 54.47 3iyj s TYR 272 Cb 0.05 -2.69 -0.03 0.00 0.35 0.00 0.00 41.96 39.64 3iyj s TYR 272 CO 0.22 -0.39 0.51 -1.17 -1.34 0.00 0.00 175.55 173.38 3iyj s LEU 273 N 2.11 4.05 0.93 6.97 2.96 -1.26 -4.57 118.68 129.88 3iyj s LEU 273 Ca 0.14 0.51 -0.11 0.00 -0.22 0.00 0.00 54.13 54.45 3iyj s LEU 273 Cb -0.16 -2.65 0.15 0.00 0.50 0.00 0.00 46.19 44.03 3iyj s LEU 273 CO 0.11 -0.28 1.10 -0.75 -1.32 0.00 0.00 176.35 175.21 3iyj s LYS 274 N 2.27 0.91 0.30 1.98 2.20 -1.26 -5.07 119.74 121.07 3iyj s LYS 274 Ca 0.21 1.13 0.03 0.00 -0.36 0.00 0.00 55.97 56.97 3iyj s LYS 274 Cb -0.16 -1.75 -0.05 0.00 -1.51 0.00 0.00 37.83 34.37 3iyj s LYS 274 CO 0.09 -2.57 0.09 0.54 -0.36 0.00 0.00 175.35 173.15 3iyj s ASN 275 N -2.99 1.81 0.24 1.43 4.22 -1.26 -5.06 114.94 113.33 3iyj s ASN 275 Ca 0.65 -1.43 -0.31 0.00 -2.14 0.00 0.00 52.86 49.63 3iyj s ASN 275 Cb -0.21 0.13 -0.13 0.00 1.28 0.00 0.00 41.25 42.33 3iyj s ASN 275 CO 0.59 -0.72 1.51 -3.20 -2.04 0.00 0.00 177.10 173.23 3iyj n ASN 276 N -0.68 3.21 0.00 3.54 2.85 -1.26 -0.97 115.26 121.95 3iyj n ASN 276 Ca -0.01 1.13 0.00 0.00 -0.11 0.00 0.00 54.58 55.59 3iyj n ASN 276 Cb 0.66 -1.49 0.00 0.00 1.24 0.00 0.00 39.78 40.20 3iyj n ASN 276 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 3iyj n LYS 277 N 2.39 -1.49 -0.01 1.20 4.81 -1.26 -4.94 118.16 118.86 3iyj n LYS 277 Ca 0.12 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 3iyj n LYS 277 Cb 0.33 -4.77 0.00 0.00 0.02 0.00 0.00 35.03 30.61 3iyj n LYS 277 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3iyj n GLY 278 N 0.19 -0.98 3.54 3.14 0.00 -0.15 -5.08 105.19 105.85 3iyj n GLY 278 Ca 0.00 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 3iyj n GLY 278 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iyj s ASP 279 N -1.00 4.33 0.18 1.61 1.01 -1.26 -4.94 116.67 116.60 3iyj s ASP 279 Ca 0.00 -0.19 -0.15 0.00 0.71 0.00 0.00 52.55 52.91 3iyj s ASP 279 Cb 0.00 -0.95 0.15 0.00 1.01 0.00 0.00 42.92 43.14 3iyj s ASP 279 CO 0.00 0.30 1.65 0.00 0.21 0.00 0.00 175.17 177.34 3iyj h ALA 280 N 4.83 0.34 -3.48 5.23 0.00 -1.98 -3.42 119.26 120.77 3iyj h ALA 280 Ca -0.48 0.19 -0.66 0.00 0.00 0.00 0.00 54.91 53.96 3iyj h ALA 280 Cb 1.16 0.37 -0.17 0.00 0.00 0.00 0.00 17.79 19.15 3iyj h ALA 280 CO 0.52 -0.44 -0.77 0.99 0.00 0.00 0.00 179.25 179.54 3iyj s THR 281 N -6.22 2.97 0.18 0.00 2.01 -1.26 -4.95 115.64 108.37 3iyj s THR 281 Ca -0.14 -1.55 -0.30 0.00 0.31 0.00 0.00 61.69 60.01 3iyj s THR 281 Cb 0.16 -2.40 -0.08 0.00 0.01 0.00 0.00 72.50 70.20 3iyj s THR 281 CO 0.72 0.03 1.06 -0.76 -0.69 0.00 0.00 174.62 174.98 3iyj s LEU 282 N -2.36 4.52 -0.11 4.42 1.43 -1.26 -4.97 118.68 120.35 3iyj s LEU 282 Ca 0.20 2.04 0.05 0.00 -1.03 0.00 0.00 54.13 55.40 3iyj s LEU 282 Cb -0.10 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.42 3iyj s LEU 282 CO 0.12 -0.14 -0.03 0.29 0.23 0.00 0.00 176.35 176.81 3iyj n LYS 283 N 2.22 1.45 -2.42 1.70 5.02 -1.26 -4.85 118.16 120.01 3iyj n LYS 283 Ca 0.02 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 3iyj n LYS 283 Cb 0.47 -1.24 -0.03 0.00 -0.02 0.00 0.00 35.03 34.20 3iyj n LYS 283 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3iyj s ILE 284 N -2.24 4.13 0.47 -0.18 -1.09 -1.26 -4.38 121.20 116.66 3iyj s ILE 284 Ca -0.10 1.49 -0.23 0.00 -2.23 0.00 0.00 60.65 59.58 3iyj s ILE 284 Cb 0.03 -3.96 -0.09 0.00 -1.58 0.00 0.00 42.46 36.87 3iyj s ILE 284 CO 0.34 0.03 1.01 -0.81 -1.23 0.00 0.00 174.94 174.28 3iyj n PRO 285 N 4.84 1.28 -3.38 2.79 -0.04 -1.26 -4.97 135.00 134.26 3iyj n PRO 285 Ca 0.11 0.46 -0.26 0.00 -0.04 0.00 0.00 63.50 63.77 3iyj n PRO 285 Cb 0.46 -2.09 -0.08 0.00 -0.04 0.00 0.00 33.50 31.75 3iyj n PRO 285 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3iyj n SER 286 N 0.18 2.85 -4.22 3.54 3.41 -1.26 -4.86 113.62 113.26 3iyj n SER 286 Ca 0.10 -3.25 -0.33 0.00 -0.26 0.00 0.00 58.87 55.13 3iyj n SER 286 Cb 0.41 -0.66 -0.15 0.00 -0.26 0.00 0.00 64.21 63.55 3iyj n SER 286 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3iyj s VAL 287 N -2.11 2.56 -0.55 -3.33 1.01 -1.26 -5.08 120.40 111.64 3iyj s VAL 287 Ca 0.38 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3iyj s VAL 287 Cb 0.15 -2.09 0.14 0.00 0.00 0.00 0.00 36.38 34.57 3iyj s VAL 287 CO -0.04 0.51 0.32 -1.00 0.00 0.00 0.00 175.10 174.89 3iyj s HIS 288 N 1.10 3.33 -0.10 5.22 3.76 -1.26 -3.11 115.29 124.24 3iyj s HIS 288 Ca 0.00 -2.94 -0.04 0.00 -0.15 0.00 0.00 55.06 51.93 3iyj s HIS 288 Cb -0.14 -3.01 -0.04 0.00 1.11 0.00 0.00 32.58 30.50 3iyj s HIS 288 CO -0.05 -0.81 0.08 -0.59 -0.85 0.00 0.00 174.74 172.52 3iyj s PHE 289 N -0.06 3.39 0.37 1.40 -0.12 -1.00 -4.90 117.98 117.07 3iyj s PHE 289 Ca 0.16 0.37 -0.01 0.00 -0.05 0.00 0.00 56.93 57.40 3iyj s PHE 289 Cb -0.23 -1.86 -0.03 0.00 -0.63 0.00 0.00 43.02 40.27 3iyj s PHE 289 CO -0.02 0.61 0.59 0.20 -0.05 0.00 0.00 175.22 176.55 3iyj s GLY 290 N -1.02 1.37 -0.05 1.99 0.00 -1.26 -1.50 107.32 106.84 3iyj s GLY 290 Ca 0.15 -0.84 -0.19 0.00 0.00 0.00 0.00 44.72 43.84 3iyj s GLY 290 CO 0.04 -0.76 0.54 -1.35 0.00 0.00 0.00 173.10 171.57 3iyj s SER 291 N -4.05 6.85 0.31 1.64 1.04 -1.08 -4.93 113.70 113.47 3iyj s SER 291 Ca 0.41 1.01 -0.29 0.00 0.48 0.00 0.00 55.95 57.56 3iyj s SER 291 Cb -0.10 -2.33 -0.10 0.00 0.10 0.00 0.00 66.02 63.59 3iyj s SER 291 CO 0.38 0.06 1.29 -2.16 0.98 0.00 0.00 173.24 173.79 3iyj s PRO 292 N 0.14 4.38 -0.10 4.02 0.04 -1.26 -2.45 135.00 139.77 3iyj s PRO 292 Ca 0.29 2.16 0.04 0.00 0.04 0.00 0.00 61.00 63.53 3iyj s PRO 292 Cb -0.17 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.28 3iyj s PRO 292 CO 0.14 -0.17 -0.22 0.45 0.04 0.00 0.00 177.00 177.24 3iyj s SER 293 N -0.39 2.89 -0.26 6.66 0.15 -0.15 -4.47 113.70 118.13 3iyj s SER 293 Ca 0.50 -0.52 -0.11 0.00 0.70 0.00 0.00 55.95 56.52 3iyj s SER 293 Cb -0.39 -1.32 -0.05 0.00 -1.71 0.00 0.00 66.02 62.55 3iyj s SER 293 CO 0.50 0.14 0.19 -0.83 1.20 0.00 0.00 173.24 174.43 3iyj s GLY 294 N 0.41 1.95 0.88 9.45 0.00 -0.55 -2.47 107.32 116.99 3iyj s GLY 294 Ca -0.18 -0.99 -0.12 0.00 0.00 0.00 0.00 44.72 43.43 3iyj s GLY 294 CO 0.08 0.56 1.13 -0.45 0.00 0.00 0.00 173.10 174.43 3iyj s SER 295 N 1.46 3.78 0.34 1.64 0.15 -1.26 -4.82 113.70 114.99 3iyj s SER 295 Ca 0.08 1.01 -0.29 0.00 0.70 0.00 0.00 55.95 57.45 3iyj s SER 295 Cb -0.15 -1.60 -0.12 0.00 -1.71 0.00 0.00 66.02 62.44 3iyj s SER 295 CO 0.08 -2.39 1.46 0.00 1.20 0.00 0.00 173.24 173.59 3iyj n LEU 296 N -3.66 4.29 -4.90 3.45 -0.00 -1.26 -4.92 117.00 110.00 3iyj n LEU 296 Ca 0.07 1.20 -0.33 0.00 -0.00 0.00 0.00 56.01 56.95 3iyj n LEU 296 Cb 0.59 -1.57 -0.05 0.00 -0.00 0.00 0.00 43.42 42.39 3iyj n LEU 296 CO 0.57 -0.04 -0.15 0.54 -0.00 0.00 0.00 177.39 178.32 3iyj s VAL 297 N -0.82 5.42 0.45 1.47 0.11 -1.26 -5.11 120.40 120.65 3iyj s VAL 297 Ca 0.57 -0.16 0.04 0.00 -2.93 0.00 0.00 61.98 59.50 3iyj s VAL 297 Cb -0.51 -3.55 -0.04 0.00 -1.53 0.00 0.00 36.38 30.74 3iyj s VAL 297 CO 0.59 0.30 0.03 -0.94 -3.33 0.00 0.00 175.10 171.75 3iyj s SER 298 N -2.00 3.72 0.18 3.54 1.04 -1.26 -5.01 113.70 113.90 3iyj s SER 298 Ca 0.28 -1.54 0.27 0.00 0.48 0.00 0.00 55.95 55.44 3iyj s SER 298 Cb -0.13 0.18 0.87 0.00 0.10 0.00 0.00 66.02 67.05 3iyj s SER 298 CO 0.20 -0.72 1.79 0.35 0.98 0.00 0.00 173.24 175.84 3iyj n THR 299 N -1.07 0.50 -0.07 2.02 -2.24 -1.26 -3.71 114.28 108.45 3iyj n THR 299 Ca -0.12 -0.24 -0.08 0.00 -2.27 0.00 0.00 64.05 61.34 3iyj n THR 299 Cb 0.67 -0.57 -0.10 0.00 -2.10 0.00 0.00 70.33 68.23 3iyj n THR 299 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3iyj n ASP 300 N -2.14 1.82 -0.09 3.42 5.75 -1.26 -4.61 116.55 119.45 3iyj n ASP 300 Ca 0.06 -0.02 -0.05 0.00 -0.01 0.00 0.00 54.79 54.77 3iyj n ASP 300 Cb 0.42 0.61 0.15 0.00 -1.03 0.00 0.00 41.12 41.27 3iyj n ASP 300 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 3iyj h ASN 301 N 0.00 0.73 -2.80 -1.12 2.35 -1.97 -3.44 115.58 109.34 3iyj h ASN 301 Ca -0.38 -0.21 -0.52 0.00 -0.55 0.00 0.00 56.30 54.65 3iyj h ASN 301 Cb 1.80 -0.20 0.06 0.00 0.05 0.00 0.00 38.32 40.03 3iyj h ASN 301 CO 0.00 0.85 0.96 0.00 -1.65 0.00 0.00 177.43 177.60 3iyj s GLN 302 N -4.82 4.15 -1.21 0.81 -2.07 -1.24 -4.90 119.66 110.37 3iyj s GLN 302 Ca -0.09 2.53 -0.11 0.00 -1.82 0.00 0.00 55.36 55.87 3iyj s GLN 302 Cb 0.14 -3.09 0.19 0.00 -1.09 0.00 0.00 33.01 29.16 3iyj s GLN 302 CO 0.81 -0.69 1.52 0.44 -1.32 0.00 0.00 175.29 176.06 3iyj n ILE 303 N 3.74 4.38 -3.75 3.63 -5.35 -1.26 -4.96 119.36 115.79 3iyj n ILE 303 Ca 0.14 -4.79 -0.09 0.00 -0.27 0.00 0.00 62.75 57.74 3iyj n ILE 303 Cb 0.36 -2.43 -0.03 0.00 -1.74 0.00 0.00 39.64 35.81 3iyj n ILE 303 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3iyj s PHE 304 N 0.66 -0.18 0.00 4.28 0.40 -1.26 -4.85 117.98 117.03 3iyj s PHE 304 Ca 0.40 -0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.54 3iyj s PHE 304 Cb 0.00 0.52 0.00 0.00 0.51 0.00 0.00 43.02 44.06 3iyj s PHE 304 CO 0.00 -1.04 0.00 0.09 0.70 0.00 0.00 175.22 174.98 3iyj n ASN 305 N -0.40 -3.58 -4.22 1.36 5.03 -0.63 -4.91 115.26 107.91 3iyj n ASN 305 Ca -0.08 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 54.96 3iyj n ASN 305 Cb 0.62 -2.34 -0.09 0.00 -1.02 0.00 0.00 39.78 36.94 3iyj n ASN 305 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3iyj s ARG 306 N -1.19 2.48 0.03 3.52 0.52 -1.26 -5.01 118.95 118.04 3iyj s ARG 306 Ca 0.00 -1.70 -0.37 0.00 -0.52 0.00 0.00 55.73 53.15 3iyj s ARG 306 Cb 0.00 -3.88 -0.16 0.00 0.52 0.00 0.00 34.95 31.44 3iyj s ARG 306 CO 0.00 -1.13 1.48 -0.35 0.02 0.00 0.00 175.30 175.32 3iyj n PRO 307 N 4.90 1.40 -3.52 3.54 -0.04 -1.26 -4.83 135.00 135.18 3iyj n PRO 307 Ca -0.08 0.51 -0.42 0.00 -0.04 0.00 0.00 63.50 63.47 3iyj n PRO 307 Cb 0.41 -2.19 -0.10 0.00 -0.04 0.00 0.00 33.50 31.58 3iyj n PRO 307 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3iyj s TYR 308 N 1.25 3.24 -0.30 0.54 4.12 -0.19 -4.97 117.35 121.05 3iyj s TYR 308 Ca 0.86 -0.79 -0.23 0.00 0.02 0.00 0.00 57.07 56.92 3iyj s TYR 308 Cb -0.91 -2.54 -0.00 0.00 -1.52 0.00 0.00 41.96 37.00 3iyj s TYR 308 CO 0.48 -0.63 0.77 -1.58 0.02 0.00 0.00 175.55 174.61 3iyj s TRP 309 N 1.61 3.21 -0.46 2.71 0.23 -1.26 -2.50 118.94 122.49 3iyj s TRP 309 Ca 0.03 0.82 -0.21 0.00 -2.03 0.00 0.00 56.10 54.71 3iyj s TRP 309 Cb -0.19 -3.17 0.03 0.00 0.03 0.00 0.00 33.47 30.17 3iyj s TRP 309 CO 0.08 -0.54 0.67 -1.17 0.96 0.00 0.00 176.95 176.96 3iyj s LEU 310 N 2.90 4.52 -0.19 2.99 2.96 0.10 -4.90 118.68 127.06 3iyj s LEU 310 Ca 0.32 -0.40 0.18 0.00 -0.22 0.00 0.00 54.13 54.01 3iyj s LEU 310 Cb -0.14 -2.72 -0.25 0.00 0.50 0.00 0.00 46.19 43.58 3iyj s LEU 310 CO 0.12 -0.84 0.10 0.49 -1.32 0.00 0.00 176.35 174.90 3iyj n PHE 311 N 6.37 0.00 -3.68 5.38 3.01 -1.26 -4.79 117.46 122.49 3iyj n PHE 311 Ca -0.02 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.35 3iyj n PHE 311 Cb 0.48 -0.95 -0.10 0.00 -0.01 0.00 0.00 39.48 38.89 3iyj n PHE 311 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3iyj s ARG 312 N -2.55 0.39 0.83 -1.08 1.81 -1.26 -5.10 118.95 111.99 3iyj s ARG 312 Ca -0.10 0.88 -0.14 0.00 -1.72 0.00 0.00 55.73 54.65 3iyj s ARG 312 Cb 0.06 0.08 0.19 0.00 -0.45 0.00 0.00 34.95 34.84 3iyj s ARG 312 CO 0.82 -0.18 1.06 0.00 -0.68 0.00 0.00 175.30 176.32 3iyj n ALA 313 N 4.58 -1.49 -0.91 2.13 0.00 -1.26 -4.98 120.51 118.57 3iyj n ALA 313 Ca -0.19 -1.40 0.08 0.00 0.00 0.00 0.00 53.44 51.92 3iyj n ALA 313 Cb 0.54 -0.08 0.37 0.00 0.00 0.00 0.00 19.45 20.28 3iyj n ALA 313 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iyj n GLN 314 N -3.44 4.39 -3.23 0.00 10.64 -1.21 -4.92 117.38 119.61 3iyj n GLN 314 Ca 0.13 -3.08 -0.10 0.00 -1.83 0.00 0.00 57.00 52.12 3iyj n GLN 314 Cb 0.47 -2.15 -0.03 0.00 -0.86 0.00 0.00 30.24 27.67 3iyj n GLN 314 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3iyj n GLY 315 N 0.37 2.70 0.25 2.61 0.00 -1.26 -5.02 105.19 104.84 3iyj n GLY 315 Ca 0.26 -1.61 0.08 0.00 0.00 0.00 0.00 46.02 44.75 3iyj n GLY 315 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3iyj n MET 316 N -0.39 1.32 -3.84 1.61 2.81 -1.18 -4.50 117.12 112.95 3iyj n MET 316 Ca 0.02 -0.49 -0.33 0.00 -1.81 0.00 0.00 57.70 55.09 3iyj n MET 316 Cb 0.39 -1.28 -0.12 0.00 -0.71 0.00 0.00 33.22 31.50 3iyj n MET 316 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3iyj s ASN 317 N -1.43 4.75 -1.11 7.83 3.04 -1.16 -0.43 114.94 126.43 3iyj s ASN 317 Ca 0.25 -3.02 -0.13 0.00 0.04 0.00 0.00 52.86 49.99 3iyj s ASN 317 Cb 0.12 -1.73 -0.07 0.00 -1.54 0.00 0.00 41.25 38.03 3iyj s ASN 317 CO 0.19 -0.28 2.23 -0.46 -3.04 0.00 0.00 177.10 175.74 3iyj n ASN 318 N 3.17 4.61 -1.63 -4.21 2.04 -1.26 -4.43 115.26 113.54 3iyj n ASN 318 Ca 0.07 -2.59 -0.06 0.00 -0.44 0.00 0.00 54.58 51.57 3iyj n ASN 318 Cb 0.35 -1.31 0.03 0.00 -2.53 0.00 0.00 39.78 36.32 3iyj n ASN 318 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3iyj n GLY 319 N 4.04 0.30 3.57 4.83 0.00 -1.26 -4.81 105.19 111.86 3iyj n GLY 319 Ca 0.54 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3iyj n GLY 319 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iyj s ILE 320 N -3.10 5.30 -1.23 -0.61 -1.09 -1.26 -1.88 121.20 117.32 3iyj s ILE 320 Ca 0.06 0.02 -0.20 0.00 -2.23 0.00 0.00 60.65 58.30 3iyj s ILE 320 Cb -0.03 -3.61 -0.01 0.00 -1.58 0.00 0.00 42.46 37.23 3iyj s ILE 320 CO 0.22 0.14 1.87 0.00 -1.23 0.00 0.00 174.94 175.94 3iyj n ALA 321 N 5.09 3.07 -1.85 9.38 0.00 -0.05 -4.89 120.51 131.27 3iyj n ALA 321 Ca -0.13 -3.50 -0.41 0.00 0.00 0.00 0.00 53.44 49.40 3iyj n ALA 321 Cb 0.51 -3.56 -0.03 0.00 0.00 0.00 0.00 19.45 16.38 3iyj n ALA 321 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3iyj s TRP 322 N 6.73 3.16 -0.88 0.00 0.23 -1.26 -2.13 118.94 124.79 3iyj s TRP 322 Ca 0.59 1.34 0.00 0.00 -2.03 0.00 0.00 56.10 56.00 3iyj s TRP 322 Cb 0.04 -3.63 0.00 0.00 0.03 0.00 0.00 33.47 29.91 3iyj s TRP 322 CO 0.09 -1.82 0.00 0.09 0.96 0.00 0.00 176.95 176.27 3iyj n ASN 323 N 1.57 -4.22 -4.07 2.95 3.02 -1.26 -3.49 115.26 109.76 3iyj n ASN 323 Ca 0.02 0.21 -0.39 0.00 -0.03 0.00 0.00 54.58 54.39 3iyj n ASN 323 Cb 0.42 -2.45 -0.01 0.00 -0.61 0.00 0.00 39.78 37.14 3iyj n ASN 323 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3iyj n ASN 324 N 0.28 -2.74 -3.74 6.41 5.03 -0.91 -4.94 115.26 114.65 3iyj n ASN 324 Ca -0.08 -1.23 -0.13 0.00 0.87 0.00 0.00 54.58 54.00 3iyj n ASN 324 Cb 0.31 -2.02 -0.09 0.00 -1.02 0.00 0.00 39.78 36.96 3iyj n ASN 324 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3iyj s LEU 325 N -7.27 0.69 0.07 3.41 2.96 -1.23 -2.86 118.68 114.45 3iyj s LEU 325 Ca 0.33 0.33 0.03 0.00 -0.22 0.00 0.00 54.13 54.60 3iyj s LEU 325 Cb -0.17 1.34 -0.03 0.00 0.50 0.00 0.00 46.19 47.83 3iyj s LEU 325 CO 0.96 -0.36 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.77 3iyj s LEU 326 N -0.84 2.33 -0.15 -0.68 1.43 -0.98 -4.53 118.68 115.27 3iyj s LEU 326 Ca -0.09 -0.69 -0.00 0.00 -1.03 0.00 0.00 54.13 52.32 3iyj s LEU 326 Cb -0.04 -0.30 0.03 0.00 0.03 0.00 0.00 46.19 45.91 3iyj s LEU 326 CO 0.03 -0.21 -0.07 -0.36 0.23 0.00 0.00 176.35 175.98 3iyj s PHE 327 N -1.86 1.68 -0.29 0.29 0.40 -0.24 -2.04 117.98 115.93 3iyj s PHE 327 Ca -0.01 -0.98 -0.04 0.00 -0.60 0.00 0.00 56.93 55.30 3iyj s PHE 327 Cb -0.07 -1.31 0.03 0.00 0.51 0.00 0.00 43.02 42.18 3iyj s PHE 327 CO 0.00 -0.59 0.01 -1.17 0.70 0.00 0.00 175.22 174.18 3iyj s LEU 328 N 1.64 3.72 -0.47 -0.37 2.96 -0.71 -2.03 118.68 123.42 3iyj s LEU 328 Ca 0.03 -1.00 -0.10 0.00 -0.22 0.00 0.00 54.13 52.84 3iyj s LEU 328 Cb -0.14 -1.76 0.11 0.00 0.50 0.00 0.00 46.19 44.90 3iyj s LEU 328 CO -0.08 -0.21 0.35 -0.89 -1.32 0.00 0.00 176.35 174.20 3iyj s THR 329 N 1.35 4.34 -0.14 3.68 2.01 -0.31 -0.85 115.64 125.72 3iyj s THR 329 Ca -0.01 -1.68 0.01 0.00 0.31 0.00 0.00 61.69 60.31 3iyj s THR 329 Cb -0.18 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.54 3iyj s THR 329 CO -0.01 -0.74 -0.15 -0.69 -0.69 0.00 0.00 174.62 172.35 3iyj s VAL 330 N 1.40 1.58 -0.01 3.82 1.01 -0.77 -1.13 120.40 126.31 3iyj s VAL 330 Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.39 3iyj s VAL 330 Cb -0.26 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.66 3iyj s VAL 330 CO 0.00 0.46 0.01 -0.83 0.00 0.00 0.00 175.10 174.74 3iyj s GLY 331 N 1.41 0.09 -0.25 4.51 0.00 0.11 -2.23 107.32 110.96 3iyj s GLY 331 Ca 0.03 0.14 -0.20 0.00 0.00 0.00 0.00 44.72 44.69 3iyj s GLY 331 CO -0.09 0.36 0.65 0.51 0.00 0.00 0.00 173.10 174.53 3iyj s ASP 332 N 0.58 -0.74 0.00 1.64 -4.77 -1.26 0.12 116.67 112.24 3iyj s ASP 332 Ca -0.05 1.35 0.20 0.00 -3.30 0.00 0.00 52.55 50.74 3iyj s ASP 332 Cb -0.07 1.32 0.53 0.00 -1.09 0.00 0.00 42.92 43.60 3iyj s ASP 332 CO -0.02 -0.23 1.44 -0.46 0.70 0.00 0.00 175.17 176.61 3iyj n ASN 333 N 3.24 3.11 0.25 2.11 6.94 -1.08 -4.51 115.26 125.32 3iyj n ASN 333 Ca -0.16 -1.97 -0.14 0.00 -0.02 0.00 0.00 54.58 52.28 3iyj n ASN 333 Cb 0.56 -0.35 -0.08 0.00 -2.36 0.00 0.00 39.78 37.56 3iyj n ASN 333 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3iyj h THR 334 N 3.57 0.41 -0.37 5.53 2.02 -1.85 -3.33 112.91 118.88 3iyj h THR 334 Ca 0.00 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 66.80 3iyj h THR 334 Cb 0.81 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 3iyj h THR 334 CO 0.00 0.06 0.18 0.03 0.37 0.00 0.00 175.52 176.16 3iyj h ARG 335 N -0.94 0.36 -6.60 6.66 2.47 -1.79 -3.23 114.38 111.31 3iyj h ARG 335 Ca -0.07 -0.02 -0.58 0.00 -1.26 0.00 0.00 59.98 58.05 3iyj h ARG 335 Cb 0.60 -0.08 0.08 0.00 -1.65 0.00 0.00 29.97 28.92 3iyj h ARG 335 CO 0.11 0.24 0.67 0.41 0.56 0.00 0.00 179.97 181.96 3iyj n GLY 336 N -1.21 0.89 3.20 0.04 0.00 -1.25 -3.87 105.19 102.99 3iyj n GLY 336 Ca 0.01 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.42 3iyj n GLY 336 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iyj s THR 337 N 0.07 -0.01 0.64 2.61 2.01 -1.26 -3.54 115.64 116.16 3iyj s THR 337 Ca 0.69 0.05 -0.13 0.00 0.31 0.00 0.00 61.69 62.61 3iyj s THR 337 Cb -0.63 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 3iyj s THR 337 CO 0.48 0.02 1.05 0.20 -0.69 0.00 0.00 174.62 175.67 3iyj s ASN 338 N 0.64 5.75 -0.16 3.53 0.02 -1.26 -4.72 114.94 118.74 3iyj s ASN 338 Ca -0.04 1.63 0.02 0.00 -1.02 0.00 0.00 52.86 53.45 3iyj s ASN 338 Cb -0.05 -2.50 0.02 0.00 0.02 0.00 0.00 41.25 38.73 3iyj s ASN 338 CO -0.04 -1.19 -0.20 -0.22 0.02 0.00 0.00 177.10 175.46 3iyj s LEU 339 N -5.08 2.08 0.41 0.60 2.96 -0.50 -5.01 118.68 114.16 3iyj s LEU 339 Ca 0.59 -0.61 -0.01 0.00 -0.22 0.00 0.00 54.13 53.87 3iyj s LEU 339 Cb -0.14 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 3iyj s LEU 339 CO 0.48 0.04 0.65 0.42 -1.32 0.00 0.00 176.35 176.61 3iyj s THR 340 N 1.07 4.74 0.18 3.68 -4.23 -1.26 -1.21 115.64 118.60 3iyj s THR 340 Ca -0.01 -0.29 -0.12 0.00 -1.18 0.00 0.00 61.69 60.09 3iyj s THR 340 Cb -0.14 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 69.95 3iyj s THR 340 CO -0.07 -0.57 0.37 -0.63 -0.54 0.00 0.00 174.62 173.17 3iyj s ILE 341 N -2.50 0.05 -0.28 2.99 1.01 -1.05 -4.92 121.20 116.50 3iyj s ILE 341 Ca 0.44 -1.19 0.01 0.00 0.00 0.00 0.00 60.65 59.91 3iyj s ILE 341 Cb -0.10 -1.77 0.17 0.00 0.01 0.00 0.00 42.46 40.77 3iyj s ILE 341 CO 0.39 -0.23 0.47 -0.94 0.00 0.00 0.00 174.94 174.63 3iyj s SER 342 N -2.94 -0.37 -0.03 3.58 1.04 -1.26 -2.11 113.70 111.61 3iyj s SER 342 Ca 0.15 0.13 -0.03 0.00 0.48 0.00 0.00 55.95 56.68 3iyj s SER 342 Cb 0.02 1.49 -0.04 0.00 0.10 0.00 0.00 66.02 67.58 3iyj s SER 342 CO -0.01 -0.31 0.14 -0.69 0.98 0.00 0.00 173.24 173.35 3iyj s VAL 343 N 2.66 5.20 0.28 5.02 1.01 -0.97 -4.88 120.40 128.73 3iyj s VAL 343 Ca 0.13 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 3iyj s VAL 343 Cb -0.13 -3.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.77 3iyj s VAL 343 CO -0.24 0.39 1.19 0.00 0.00 0.00 0.00 175.10 176.45 3iyj s ALA 344 N -1.22 3.45 -1.98 5.51 0.00 -1.26 -0.88 121.76 125.38 3iyj s ALA 344 Ca 0.23 1.04 0.16 0.00 0.00 0.00 0.00 51.96 53.39 3iyj s ALA 344 Cb -0.12 -3.40 0.93 0.00 0.00 0.00 0.00 23.12 20.53 3iyj s ALA 344 CO 0.14 -0.37 1.35 -1.13 0.00 0.00 0.00 175.76 175.75 3iyj n SER 345 N 1.26 0.00 0.00 0.00 3.41 0.48 -3.03 113.62 115.74 3iyj n SER 345 Ca 0.00 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 3iyj n SER 345 Cb 0.44 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3iyj n SER 345 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3iyj n ASP 346 N -1.01 1.86 0.00 4.04 9.92 -1.26 -5.03 116.55 125.07 3iyj n ASP 346 Ca 0.12 -0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 3iyj n ASP 346 Cb 0.06 0.75 0.00 0.00 -0.64 0.00 0.00 41.12 41.29 3iyj n ASP 346 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3iyj n GLY 347 N 1.31 0.49 3.37 0.44 0.00 -1.17 -5.06 105.19 104.57 3iyj n GLY 347 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3iyj n GLY 347 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iyj s THR 348 N -2.19 2.78 0.20 2.61 2.01 -1.26 -5.00 115.64 114.78 3iyj s THR 348 Ca 0.00 -0.79 -0.32 0.00 0.31 0.00 0.00 61.69 60.90 3iyj s THR 348 Cb 0.00 -2.11 -0.15 0.00 0.01 0.00 0.00 72.50 70.25 3iyj s THR 348 CO 0.00 0.56 1.15 -0.81 -0.69 0.00 0.00 174.62 174.83 3iyj n PRO 349 N 3.06 1.25 -2.11 4.92 -0.04 -1.26 -4.84 135.00 135.98 3iyj n PRO 349 Ca -0.18 0.44 -0.42 0.00 -0.04 0.00 0.00 63.50 63.30 3iyj n PRO 349 Cb 0.52 -1.93 -0.03 0.00 -0.04 0.00 0.00 33.50 32.03 3iyj n PRO 349 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3iyj s LEU 350 N 0.61 4.35 0.15 1.53 1.43 -1.26 -4.92 118.68 120.58 3iyj s LEU 350 Ca 0.70 2.33 0.09 0.00 -1.03 0.00 0.00 54.13 56.23 3iyj s LEU 350 Cb -0.81 -3.57 -0.15 0.00 0.03 0.00 0.00 46.19 41.68 3iyj s LEU 350 CO 0.53 -0.74 1.29 0.74 0.23 0.00 0.00 176.35 178.40 3iyj h THR 351 N 4.54 1.49 -2.96 5.49 2.02 -2.06 -3.46 112.91 117.97 3iyj h THR 351 Ca -0.41 -3.12 -0.43 0.00 0.77 0.00 0.00 66.41 63.22 3iyj h THR 351 Cb 1.20 2.73 -0.14 0.00 -1.74 0.00 0.00 68.15 70.20 3iyj h THR 351 CO 0.89 0.85 -0.69 -0.70 0.37 0.00 0.00 175.52 176.24 3iyj s GLU 352 N -2.76 1.39 -0.48 6.66 2.12 -1.26 -5.12 118.70 119.25 3iyj s GLU 352 Ca 0.01 -1.67 -0.19 0.00 0.36 0.00 0.00 54.97 53.49 3iyj s GLU 352 Cb 0.09 -0.94 0.05 0.00 0.26 0.00 0.00 34.13 33.59 3iyj s GLU 352 CO 0.80 0.04 0.56 -0.47 -0.54 0.00 0.00 175.26 175.66 3iyj s TYR 353 N -3.15 3.10 0.21 5.30 5.04 -1.26 -5.05 117.35 121.53 3iyj s TYR 353 Ca 0.26 -0.50 0.08 0.00 -2.44 0.00 0.00 57.07 54.48 3iyj s TYR 353 Cb 0.03 -3.35 -0.04 0.00 0.35 0.00 0.00 41.96 38.95 3iyj s TYR 353 CO 0.09 -0.92 -0.00 -0.51 -1.34 0.00 0.00 175.55 172.86 3iyj s ASP 354 N 2.43 4.68 0.13 4.32 1.01 -1.26 -5.01 116.67 122.96 3iyj s ASP 354 Ca 0.14 -0.49 0.26 0.00 0.71 0.00 0.00 52.55 53.17 3iyj s ASP 354 Cb -0.19 -0.95 0.67 0.00 1.01 0.00 0.00 42.92 43.47 3iyj s ASP 354 CO 0.12 0.06 1.60 -1.54 0.21 0.00 0.00 175.17 175.62 3iyj n SER 355 N -0.39 0.63 -0.06 0.27 3.41 -1.26 -3.87 113.62 112.35 3iyj n SER 355 Ca -0.09 0.32 -0.02 0.00 -0.26 0.00 0.00 58.87 58.83 3iyj n SER 355 Cb 0.56 -0.31 -0.16 0.00 -0.26 0.00 0.00 64.21 64.04 3iyj n SER 355 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3iyj n SER 356 N -2.03 0.01 -0.18 4.04 3.41 -1.26 -4.64 113.62 112.96 3iyj n SER 356 Ca 0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.57 3iyj n SER 356 Cb 0.41 1.39 0.01 0.00 -0.26 0.00 0.00 64.21 65.77 3iyj n SER 356 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3iyj h LYS 357 N 0.00 0.85 -5.29 4.33 1.79 -1.97 -3.43 116.57 112.84 3iyj h LYS 357 Ca -0.33 -0.22 -0.61 0.00 -2.18 0.00 0.00 60.65 57.31 3iyj h LYS 357 Cb 1.76 -0.10 -0.13 0.00 -1.58 0.00 0.00 32.23 32.17 3iyj h LYS 357 CO 0.02 0.83 -0.23 -0.59 -1.08 0.00 0.00 179.45 178.40 3iyj s PHE 358 N -5.24 3.32 -0.23 -1.35 -0.12 -1.26 0.18 117.98 113.28 3iyj s PHE 358 Ca -0.13 0.51 -0.18 0.00 -0.05 0.00 0.00 56.93 57.08 3iyj s PHE 358 Cb 0.12 -2.53 -0.03 0.00 -0.63 0.00 0.00 43.02 39.95 3iyj s PHE 358 CO 0.81 -0.10 0.51 -0.80 -0.05 0.00 0.00 175.22 175.59 3iyj s ASN 359 N 1.29 6.49 -0.19 1.98 0.02 -0.05 -4.91 114.94 119.57 3iyj s ASN 359 Ca 0.17 0.59 -0.28 0.00 -1.02 0.00 0.00 52.86 52.32 3iyj s ASN 359 Cb -0.15 -2.28 -0.00 0.00 0.02 0.00 0.00 41.25 38.83 3iyj s ASN 359 CO 0.08 -0.24 0.96 -0.69 0.02 0.00 0.00 177.10 177.24 3iyj s VAL 360 N 2.00 4.77 0.30 1.60 1.01 -1.26 -2.29 120.40 126.52 3iyj s VAL 360 Ca 0.22 1.90 0.08 0.00 0.00 0.00 0.00 61.98 64.18 3iyj s VAL 360 Cb -0.15 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 3iyj s VAL 360 CO 0.09 -0.08 0.19 -0.31 0.00 0.00 0.00 175.10 175.00 3iyj s TYR 361 N 2.63 2.92 -0.11 5.22 4.12 -0.90 -4.96 117.35 126.27 3iyj s TYR 361 Ca 0.43 -0.23 -0.00 0.00 0.02 0.00 0.00 57.07 57.28 3iyj s TYR 361 Cb -0.16 -1.54 0.02 0.00 -1.52 0.00 0.00 41.96 38.76 3iyj s TYR 361 CO 0.11 0.39 -0.08 -1.58 0.02 0.00 0.00 175.55 174.41 3iyj s HIS 362 N -2.26 1.48 -0.06 2.71 2.46 -1.26 -2.54 115.29 115.83 3iyj s HIS 362 Ca 0.36 -0.73 -0.02 0.00 0.47 0.00 0.00 55.06 55.14 3iyj s HIS 362 Cb -0.06 -1.23 0.04 0.00 -0.13 0.00 0.00 32.58 31.20 3iyj s HIS 362 CO 0.24 -0.50 0.11 1.03 -2.47 0.00 0.00 174.74 173.15 3iyj s ARG 363 N 1.66 0.03 0.08 2.88 1.81 -0.35 -4.36 118.95 120.71 3iyj s ARG 363 Ca 0.04 0.37 0.05 0.00 -1.72 0.00 0.00 55.73 54.47 3iyj s ARG 363 Cb -0.13 -0.25 -0.03 0.00 -0.45 0.00 0.00 34.95 34.10 3iyj s ARG 363 CO -0.08 -0.21 -0.14 -1.58 -0.68 0.00 0.00 175.30 172.62 3iyj s HIS 364 N 1.46 1.23 -0.08 -0.53 5.65 -0.91 -1.41 115.29 120.70 3iyj s HIS 364 Ca -0.05 -0.50 -0.04 0.00 0.25 0.00 0.00 55.06 54.72 3iyj s HIS 364 Cb -0.12 -0.68 0.04 0.00 -1.18 0.00 0.00 32.58 30.64 3iyj s HIS 364 CO -0.05 0.07 0.18 -1.64 -0.65 0.00 0.00 174.74 172.65 3iyj s MET 365 N -2.04 0.14 -0.04 2.88 1.00 -1.26 -1.52 119.30 118.46 3iyj s MET 365 Ca 0.01 0.41 0.06 0.00 0.00 0.00 0.00 55.69 56.18 3iyj s MET 365 Cb -0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 34.83 34.59 3iyj s MET 365 CO 0.02 -0.15 -0.22 -1.21 0.00 0.00 0.00 175.02 173.45 3iyj s GLU 366 N 1.12 2.34 -0.05 2.03 0.41 -0.94 -4.95 118.70 118.66 3iyj s GLU 366 Ca -0.09 -0.86 0.03 0.00 -0.41 0.00 0.00 54.97 53.64 3iyj s GLU 366 Cb -0.10 -2.17 0.01 0.00 -1.78 0.00 0.00 34.13 30.08 3iyj s GLU 366 CO -0.06 0.53 -0.12 -2.00 -0.49 0.00 0.00 175.26 173.11 3iyj s GLU 367 N -0.51 1.46 0.42 1.61 2.12 -1.26 -3.01 118.70 119.53 3iyj s GLU 367 Ca 0.07 -0.41 0.04 0.00 0.36 0.00 0.00 54.97 55.02 3iyj s GLU 367 Cb -0.11 -1.26 -0.04 0.00 0.26 0.00 0.00 34.13 32.97 3iyj s GLU 367 CO 0.01 0.10 0.05 0.71 -0.54 0.00 0.00 175.26 175.59 3iyj s TYR 368 N 0.39 2.00 -0.03 5.30 1.51 -0.98 -2.54 117.35 123.00 3iyj s TYR 368 Ca -0.09 -0.99 -0.21 0.00 -1.01 0.00 0.00 57.07 54.78 3iyj s TYR 368 Cb -0.13 -1.45 0.04 0.00 -0.11 0.00 0.00 41.96 40.32 3iyj s TYR 368 CO 0.02 0.08 0.44 0.21 -1.11 0.00 0.00 175.55 175.20 3iyj s LYS 369 N -3.80 0.80 -0.03 -0.62 2.20 -0.41 -1.93 119.74 115.95 3iyj s LYS 369 Ca 0.24 -0.01 0.03 0.00 -0.36 0.00 0.00 55.97 55.86 3iyj s LYS 369 Cb 0.05 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.74 3iyj s LYS 369 CO 0.12 -0.23 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.26 3iyj s LEU 370 N -1.24 1.78 -0.03 5.43 1.43 -1.26 -1.99 118.68 122.80 3iyj s LEU 370 Ca -0.12 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3iyj s LEU 370 Cb -0.03 -0.67 0.03 0.00 0.03 0.00 0.00 46.19 45.54 3iyj s LEU 370 CO 0.06 0.08 0.01 0.00 0.23 0.00 0.00 176.35 176.73 3iyj s ALA 371 N 0.24 0.25 0.10 4.21 0.00 -1.09 -1.60 121.76 123.86 3iyj s ALA 371 Ca -0.05 0.21 0.08 0.00 0.00 0.00 0.00 51.96 52.20 3iyj s ALA 371 Cb -0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 3iyj s ALA 371 CO 0.01 -0.09 -0.20 -0.06 0.00 0.00 0.00 175.76 175.42 3iyj s PHE 372 N 1.06 1.72 -0.63 0.00 0.40 -0.86 -1.45 117.98 118.23 3iyj s PHE 372 Ca -0.09 -0.42 0.03 0.00 -0.60 0.00 0.00 56.93 55.85 3iyj s PHE 372 Cb -0.13 -0.95 0.16 0.00 0.51 0.00 0.00 43.02 42.60 3iyj s PHE 372 CO -0.02 0.18 0.41 0.42 0.70 0.00 0.00 175.22 176.91 3iyj s ILE 373 N -1.15 2.95 0.43 0.64 -1.09 -0.17 -1.56 121.20 121.25 3iyj s ILE 373 Ca 0.05 -3.72 -0.10 0.00 -2.23 0.00 0.00 60.65 54.66 3iyj s ILE 373 Cb -0.10 -2.97 -0.06 0.00 -1.58 0.00 0.00 42.46 37.76 3iyj s ILE 373 CO 0.04 -0.91 0.79 -0.76 -1.23 0.00 0.00 174.94 172.86 3iyj s LEU 374 N -0.82 3.76 0.14 2.97 1.43 -1.09 -0.90 118.68 124.18 3iyj s LEU 374 Ca 0.21 1.11 0.04 0.00 -1.03 0.00 0.00 54.13 54.46 3iyj s LEU 374 Cb -0.16 -4.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.01 3iyj s LEU 374 CO -0.08 -0.45 -0.10 -1.83 0.23 0.00 0.00 176.35 174.11 3iyj s GLU 375 N -4.08 1.03 0.20 1.70 -1.05 0.22 -0.20 118.70 116.51 3iyj s GLU 375 Ca 0.51 -1.39 -0.23 0.00 -0.15 0.00 0.00 54.97 53.71 3iyj s GLU 375 Cb -0.10 -0.63 -0.08 0.00 -0.44 0.00 0.00 34.13 32.87 3iyj s GLU 375 CO 0.35 0.08 0.76 -1.17 0.95 0.00 0.00 175.26 176.23 3iyj s LEU 376 N -3.01 4.46 -0.22 1.83 2.96 -0.95 -1.89 118.68 121.86 3iyj s LEU 376 Ca 0.14 1.56 -0.08 0.00 -0.22 0.00 0.00 54.13 55.53 3iyj s LEU 376 Cb 0.01 -3.47 0.09 0.00 0.50 0.00 0.00 46.19 43.33 3iyj s LEU 376 CO 0.01 0.11 0.49 0.00 -1.32 0.00 0.00 176.35 175.63 3iyj s SER 378 N 2.43 6.34 -0.03 0.00 1.04 -0.11 -1.24 113.70 122.13 3iyj s SER 378 Ca -0.04 0.40 -0.17 0.00 0.48 0.00 0.00 55.95 56.62 3iyj s SER 378 Cb -0.11 -2.24 -0.05 0.00 0.10 0.00 0.00 66.02 63.72 3iyj s SER 378 CO -0.15 -0.20 0.46 0.68 0.98 0.00 0.00 173.24 175.02 3iyj s VAL 379 N 2.01 5.04 0.69 5.02 -7.23 0.26 -0.49 120.40 125.70 3iyj s VAL 379 Ca 0.18 0.95 -0.12 0.00 -1.81 0.00 0.00 61.98 61.18 3iyj s VAL 379 Cb -0.16 -3.79 0.01 0.00 0.56 0.00 0.00 36.38 33.01 3iyj s VAL 379 CO 0.09 0.48 1.07 -1.61 -0.31 0.00 0.00 175.10 174.82 3iyj s GLU 380 N -0.41 2.86 -0.57 4.82 2.02 -1.14 -1.66 118.70 124.61 3iyj s GLU 380 Ca 0.25 1.04 0.06 0.00 0.02 0.00 0.00 54.97 56.35 3iyj s GLU 380 Cb -0.17 -1.98 0.22 0.00 0.10 0.00 0.00 34.13 32.31 3iyj s GLU 380 CO 0.13 -1.16 0.60 -0.89 0.02 0.00 0.00 175.26 173.95 3iyj n ILE 381 N -3.02 1.06 -3.66 -1.63 2.08 0.56 -4.75 119.36 110.00 3iyj n ILE 381 Ca 0.08 -4.65 -0.30 0.00 0.56 0.00 0.00 62.75 58.43 3iyj n ILE 381 Cb 0.53 -2.03 -0.04 0.00 -0.75 0.00 0.00 39.64 37.35 3iyj n ILE 381 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 3iyj s THR 382 N -1.68 5.17 0.27 1.39 2.01 -1.26 -4.87 115.64 116.67 3iyj s THR 382 Ca 0.35 -0.05 -0.07 0.00 0.31 0.00 0.00 61.69 62.24 3iyj s THR 382 Cb 0.10 -3.65 0.40 0.00 0.01 0.00 0.00 72.50 69.36 3iyj s THR 382 CO -0.09 -0.02 1.58 0.00 -0.69 0.00 0.00 174.62 175.40 3iyj h ALA 383 N 2.60 0.75 0.18 7.40 0.00 -1.99 0.14 119.26 128.33 3iyj h ALA 383 Ca -0.46 0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3iyj h ALA 383 Cb 1.17 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.61 3iyj h ALA 383 CO 0.71 -0.43 -0.08 0.37 0.00 0.00 0.00 179.25 179.82 3iyj h GLN 384 N 0.01 -0.23 -0.51 0.00 4.15 -1.99 -1.54 115.11 115.00 3iyj h GLN 384 Ca 0.47 0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.81 3iyj h GLN 384 Cb 0.80 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.53 3iyj h GLN 384 CO -0.92 -0.04 -0.08 1.79 -1.93 0.00 0.00 178.83 177.64 3iyj h THR 385 N -0.37 1.27 0.32 2.39 1.35 -1.77 -1.39 112.91 114.70 3iyj h THR 385 Ca -0.02 -1.22 -0.00 0.00 -0.55 0.00 0.00 66.41 64.61 3iyj h THR 385 Cb 0.29 1.01 -0.03 0.00 -1.73 0.00 0.00 68.15 67.68 3iyj h THR 385 CO 0.04 0.43 -0.52 0.58 -0.25 0.00 0.00 175.52 175.80 3iyj h VAL 386 N 0.83 0.00 -0.34 6.82 2.07 -0.74 -2.56 116.25 122.33 3iyj h VAL 386 Ca 0.13 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.69 3iyj h VAL 386 Cb 0.64 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 3iyj h VAL 386 CO 0.04 0.00 -0.43 -1.28 0.02 0.00 0.00 177.57 175.93 3iyj h SER 387 N -0.89 -1.44 -0.58 0.57 0.87 -1.22 -2.43 113.55 108.42 3iyj h SER 387 Ca -0.04 0.19 0.18 0.00 -1.23 0.00 0.00 61.79 60.89 3iyj h SER 387 Cb 0.82 0.59 -0.11 0.00 -0.44 0.00 0.00 62.40 63.27 3iyj h SER 387 CO -0.17 -0.30 0.07 1.57 -0.53 0.00 0.00 176.83 177.47 3iyj n HIS 388 N -4.73 0.43 0.30 2.24 -0.00 -0.53 0.74 115.22 113.66 3iyj n HIS 388 Ca -0.02 0.69 0.18 0.00 -0.00 0.00 0.00 57.72 58.57 3iyj n HIS 388 Cb 0.26 -0.97 0.88 0.00 -0.00 0.00 0.00 29.99 30.15 3iyj n HIS 388 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 3iyj h LEU 389 N 0.00 0.00 -0.68 0.27 3.38 -1.28 -2.94 115.31 114.05 3iyj h LEU 389 Ca 0.38 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.46 3iyj h LEU 389 Cb 0.84 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.51 3iyj h LEU 389 CO -0.52 0.00 0.27 1.56 0.09 0.00 0.00 178.44 179.84 3iyj h GLN 390 N 0.00 0.44 0.00 1.13 1.08 0.19 0.24 115.11 118.19 3iyj h GLN 390 Ca 0.00 -0.03 -0.11 0.00 -1.45 0.00 0.00 58.65 57.06 3iyj h GLN 390 Cb 0.17 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 3iyj h GLN 390 CO 0.00 0.29 -0.99 0.78 -0.95 0.00 0.00 178.83 177.97 3iyj h GLY 391 N 0.45 0.00 0.72 3.46 0.00 -1.71 -3.34 103.07 102.65 3iyj h GLY 391 Ca 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.64 3iyj h GLY 391 CO -0.34 0.00 -0.08 -2.00 0.00 0.00 0.00 176.54 174.12 3iyj h LEU 392 N 0.00 0.29 -7.03 3.11 5.85 -1.37 -3.47 115.31 112.69 3iyj h LEU 392 Ca -0.08 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 3iyj h LEU 392 Cb 1.39 -0.08 -0.22 0.00 0.37 0.00 0.00 40.66 42.12 3iyj h LEU 392 CO 0.04 0.67 0.03 0.00 -0.34 0.00 0.00 178.44 178.84 3iyj s MET 393 N -4.47 0.73 0.16 1.25 0.23 0.78 -5.00 119.30 112.99 3iyj s MET 393 Ca -0.14 1.06 -0.10 0.00 -1.03 0.00 0.00 55.69 55.48 3iyj s MET 393 Cb 0.05 0.26 0.02 0.00 -1.53 0.00 0.00 34.83 33.62 3iyj s MET 393 CO 0.73 -0.12 1.54 -1.00 -2.03 0.00 0.00 175.02 174.14 3iyj h PRO 394 N 6.02 0.96 0.17 3.16 0.13 -1.77 -3.39 132.00 137.28 3iyj h PRO 394 Ca -0.30 -0.43 -0.26 0.00 -0.87 0.00 0.00 66.00 64.14 3iyj h PRO 394 Cb 1.19 -0.02 0.03 0.00 0.13 0.00 0.00 31.00 32.33 3iyj h PRO 394 CO 0.13 1.10 -1.13 0.66 -0.23 0.00 0.00 178.00 178.53 3iyj h SER 395 N 0.82 0.71 0.34 1.44 4.64 -1.93 -3.33 113.55 116.23 3iyj h SER 395 Ca 0.10 -0.90 -0.01 0.00 -0.47 0.00 0.00 61.79 60.51 3iyj h SER 395 Cb 0.84 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3iyj h SER 395 CO 0.07 1.54 -0.04 1.62 -0.87 0.00 0.00 176.83 179.16 3iyj h VAL 396 N -0.02 0.24 0.00 0.95 3.04 -1.96 -0.57 116.25 117.93 3iyj h VAL 396 Ca -0.19 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 3iyj h VAL 396 Cb 1.86 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 32.37 3iyj h VAL 396 CO 0.21 0.04 0.00 -0.07 -1.01 0.00 0.00 177.57 176.74 3iyj h LEU 397 N 0.00 0.00 0.00 3.16 3.38 -1.79 -3.13 115.31 116.93 3iyj h LEU 397 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iyj h LEU 397 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3iyj h LEU 397 CO 0.01 0.00 -0.13 -0.08 0.09 0.00 0.00 178.44 178.32 3iyj h GLU 398 N 0.00 0.00 -0.77 1.13 4.81 -1.23 -3.07 114.58 115.45 3iyj h GLU 398 Ca 0.00 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 3iyj h GLU 398 Cb 0.89 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.23 3iyj h GLU 398 CO 0.00 0.00 0.51 -0.91 -0.73 0.00 0.00 179.01 177.88 3iyj h ASN 399 N -0.85 0.75 0.00 1.04 2.35 -1.68 -0.66 115.58 116.53 3iyj h ASN 399 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3iyj h ASN 399 Cb 0.13 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3iyj h ASN 399 CO 0.00 0.49 0.07 -0.25 -1.65 0.00 0.00 177.43 176.09 3iyj h TRP 400 N 0.86 0.00 -0.03 1.19 2.91 -1.72 -3.45 115.95 115.70 3iyj h TRP 400 Ca 0.33 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.33 3iyj h TRP 400 Cb 0.20 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.84 3iyj h TRP 400 CO -0.00 0.00 -0.01 0.39 -1.03 0.00 0.00 178.44 177.79 3iyj n GLU 401 N -2.65 -0.08 -0.09 2.65 1.02 -0.25 -4.96 120.64 116.27 3iyj n GLU 401 Ca -0.02 0.35 -0.13 0.00 -0.02 0.00 0.00 57.16 57.34 3iyj n GLU 401 Cb 0.11 -3.73 -0.05 0.00 -0.02 0.00 0.00 31.44 27.76 3iyj n GLU 401 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 3iyj h ILE 402 N 0.00 1.31 -3.21 -3.67 3.07 -1.73 -3.43 117.51 109.86 3iyj h ILE 402 Ca -0.01 -1.49 -0.47 0.00 1.55 0.00 0.00 64.86 64.44 3iyj h ILE 402 Cb 0.06 1.63 -0.40 0.00 -0.27 0.00 0.00 36.82 37.85 3iyj h ILE 402 CO 0.02 0.47 -0.76 -0.83 -1.05 0.00 0.00 178.15 176.01 3iyj s GLY 403 N -3.69 0.51 -0.04 0.16 0.00 -1.24 -5.11 107.32 97.90 3iyj s GLY 403 Ca -0.12 -0.38 -0.29 0.00 0.00 0.00 0.00 44.72 43.93 3iyj s GLY 403 CO 0.83 1.45 0.79 0.14 0.00 0.00 0.00 173.10 176.31 3iyj s VAL 404 N 1.99 0.00 0.14 1.40 1.01 -1.26 -4.79 120.40 118.88 3iyj s VAL 404 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.85 3iyj s VAL 404 Cb -0.15 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.23 3iyj s VAL 404 CO -0.07 0.00 1.66 1.56 0.00 0.00 0.00 175.10 178.25 3iyj h GLN 405 N 2.54 0.65 -3.43 2.72 7.50 -2.00 -3.45 115.11 119.64 3iyj h GLN 405 Ca -0.25 -0.14 -0.10 0.00 0.50 0.00 0.00 58.65 58.66 3iyj h GLN 405 Cb 1.19 -0.10 -0.17 0.00 0.05 0.00 0.00 27.48 28.45 3iyj h GLN 405 CO 0.35 0.64 -0.33 -1.25 -1.50 0.00 0.00 178.83 176.74 3iyj s PRO 406 N -5.43 0.74 0.35 1.46 0.04 -1.26 -5.13 135.00 125.77 3iyj s PRO 406 Ca -0.13 -0.55 -0.28 0.00 0.04 0.00 0.00 61.00 60.07 3iyj s PRO 406 Cb 0.10 0.31 -0.11 0.00 0.04 0.00 0.00 34.50 34.85 3iyj s PRO 406 CO 0.77 -0.22 1.38 -1.25 0.04 0.00 0.00 177.00 177.71 3iyj s PRO 407 N -2.48 4.23 0.27 0.56 0.04 -1.26 -4.86 135.00 131.50 3iyj s PRO 407 Ca -0.06 2.36 -0.04 0.00 0.04 0.00 0.00 61.00 63.31 3iyj s PRO 407 Cb -0.01 -3.01 0.34 0.00 0.04 0.00 0.00 34.50 31.86 3iyj s PRO 407 CO -0.03 -0.35 1.89 0.00 0.04 0.00 0.00 177.00 178.55 3iyj h THR 408 N 2.98 1.23 -0.84 1.26 1.03 -2.00 -0.24 112.91 116.33 3iyj h THR 408 Ca -0.50 -0.60 0.17 0.00 -0.01 0.00 0.00 66.41 65.48 3iyj h THR 408 Cb 1.23 0.19 -0.11 0.00 -1.07 0.00 0.00 68.15 68.40 3iyj h THR 408 CO 0.65 0.26 0.38 -1.28 -0.01 0.00 0.00 175.52 175.52 3iyj h SER 409 N 1.09 0.38 -0.99 0.00 0.87 -2.06 -1.94 113.55 110.91 3iyj h SER 409 Ca 0.27 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 3iyj h SER 409 Cb 0.04 0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.03 3iyj h SER 409 CO -0.04 0.11 0.64 -1.28 -0.53 0.00 0.00 176.83 175.72 3iyj h SER 410 N 0.49 1.15 -3.75 6.23 0.87 -1.39 -3.42 113.55 113.73 3iyj h SER 410 Ca 0.49 -0.04 -0.53 0.00 -1.23 0.00 0.00 61.79 60.47 3iyj h SER 410 Cb 0.80 -0.29 0.07 0.00 -0.44 0.00 0.00 62.40 62.54 3iyj h SER 410 CO -0.44 0.85 0.71 -0.63 -0.53 0.00 0.00 176.83 176.80 3iyj s ILE 411 N -6.07 2.51 -0.35 2.23 1.01 -0.73 -4.99 121.20 114.81 3iyj s ILE 411 Ca -0.13 0.48 -0.09 0.00 0.00 0.00 0.00 60.65 60.92 3iyj s ILE 411 Cb 0.18 -3.31 0.03 0.00 0.01 0.00 0.00 42.46 39.37 3iyj s ILE 411 CO 0.82 0.10 0.16 -0.22 0.00 0.00 0.00 174.94 175.80 3iyj s LEU 412 N -1.46 4.49 0.17 2.97 2.96 -1.26 -5.02 118.68 121.52 3iyj s LEU 412 Ca 0.53 -1.03 0.08 0.00 -0.22 0.00 0.00 54.13 53.50 3iyj s LEU 412 Cb -0.42 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 3iyj s LEU 412 CO 0.53 -0.34 -0.07 -1.83 -1.32 0.00 0.00 176.35 173.31 3iyj s GLU 413 N 1.49 2.16 0.73 1.98 -1.05 -1.26 -5.11 118.70 117.64 3iyj s GLU 413 Ca 0.01 -1.20 -0.12 0.00 -0.15 0.00 0.00 54.97 53.50 3iyj s GLU 413 Cb -0.19 -2.22 0.04 0.00 -0.44 0.00 0.00 34.13 31.31 3iyj s GLU 413 CO 0.05 0.45 1.10 -0.51 0.95 0.00 0.00 175.26 177.29 3iyj s ASP 414 N -2.81 4.68 -0.29 0.83 1.01 -1.26 -5.05 116.67 113.79 3iyj s ASP 414 Ca 0.25 1.90 -0.16 0.00 0.71 0.00 0.00 52.55 55.25 3iyj s ASP 414 Cb -0.09 -2.53 0.12 0.00 1.01 0.00 0.00 42.92 41.43 3iyj s ASP 414 CO 0.16 -1.92 0.87 -0.89 0.21 0.00 0.00 175.17 173.60 3iyj s THR 415 N -2.68 -0.03 0.50 -1.27 2.01 -1.26 -5.13 115.64 107.79 3iyj s THR 415 Ca 0.63 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.69 3iyj s THR 415 Cb -0.19 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.33 3iyj s THR 415 CO 0.51 0.00 0.27 -0.31 -0.69 0.00 0.00 174.62 174.40 3iyj s TYR 416 N 1.50 1.94 -0.06 4.92 1.51 -1.26 -5.13 117.35 120.76 3iyj s TYR 416 Ca -0.09 -0.79 0.04 0.00 -1.01 0.00 0.00 57.07 55.22 3iyj s TYR 416 Cb -0.04 -1.88 -0.00 0.00 -0.11 0.00 0.00 41.96 39.93 3iyj s TYR 416 CO -0.17 -0.18 -0.19 0.50 -1.11 0.00 0.00 175.55 174.41 3iyj s ARG 417 N -4.11 2.06 -0.82 -0.62 3.52 -1.26 -4.66 118.95 113.05 3iyj s ARG 417 Ca 0.30 -0.67 -0.01 0.00 -0.13 0.00 0.00 55.73 55.23 3iyj s ARG 417 Cb -0.00 -1.73 -0.01 0.00 -1.56 0.00 0.00 34.95 31.65 3iyj s ARG 417 CO 0.18 0.24 0.69 0.66 -0.81 0.00 0.00 175.30 176.26 3iyj n TYR 418 N 3.23 -1.55 0.34 5.12 0.53 -1.26 -4.85 117.16 118.72 3iyj n TYR 418 Ca -0.19 0.65 0.03 0.00 -1.02 0.00 0.00 57.90 57.38 3iyj n TYR 418 Cb 0.53 -4.09 0.17 0.00 -1.03 0.00 0.00 39.34 34.92 3iyj n TYR 418 CO 0.00 0.00 0.00 -0.89 -1.02 0.00 0.00 176.86 174.95 3iyj n ILE 419 N -3.12 0.70 1.11 -0.72 5.41 -1.26 -1.36 119.36 120.11 3iyj n ILE 419 Ca -0.18 0.17 0.13 0.00 1.00 0.00 0.00 62.75 63.87 3iyj n ILE 419 Cb 0.61 -1.07 0.36 0.00 -0.71 0.00 0.00 39.64 38.84 3iyj n ILE 419 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3iyj n GLU 420 N -1.22 0.31 -1.30 0.38 4.71 -1.26 -4.45 120.64 117.81 3iyj n GLU 420 Ca 0.04 -0.16 -0.31 0.00 -0.01 0.00 0.00 57.16 56.71 3iyj n GLU 420 Cb 0.05 -1.50 0.09 0.00 -1.01 0.00 0.00 31.44 29.07 3iyj n GLU 420 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3iyj s SER 421 N -2.80 4.49 0.08 1.62 0.15 -0.47 -4.92 113.70 111.85 3iyj s SER 421 Ca 0.17 1.75 0.25 0.00 0.70 0.00 0.00 55.95 58.82 3iyj s SER 421 Cb 0.18 -2.47 0.52 0.00 -1.71 0.00 0.00 66.02 62.55 3iyj s SER 421 CO 0.61 -2.03 1.45 -0.81 1.20 0.00 0.00 173.24 173.65 3iyj n PRO 422 N -3.52 0.17 -0.13 5.44 -0.04 -1.26 -2.51 135.00 133.16 3iyj n PRO 422 Ca 0.09 0.06 -0.12 0.00 -0.04 0.00 0.00 63.50 63.49 3iyj n PRO 422 Cb 0.53 -1.62 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 3iyj n PRO 422 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iyj h ALA 423 N 2.71 0.53 -2.34 0.55 0.00 -1.93 -3.45 119.26 115.33 3iyj h ALA 423 Ca 0.00 -0.35 -0.49 0.00 0.00 0.00 0.00 54.91 54.08 3iyj h ALA 423 Cb 0.64 -0.13 0.06 0.00 0.00 0.00 0.00 17.79 18.36 3iyj h ALA 423 CO 0.00 0.45 0.25 0.99 0.00 0.00 0.00 179.25 180.94 3iyj s THR 424 N -4.66 3.96 0.73 0.00 2.01 -1.04 -5.09 115.64 111.54 3iyj s THR 424 Ca -0.12 0.25 -0.11 0.00 0.31 0.00 0.00 61.69 62.02 3iyj s THR 424 Cb 0.10 -3.58 0.03 0.00 0.01 0.00 0.00 72.50 69.06 3iyj s THR 424 CO 0.83 -0.65 1.07 -1.59 -0.69 0.00 0.00 174.62 173.59 3iyj s LYS 425 N -5.06 2.64 0.78 4.92 -2.85 -1.26 -4.78 119.74 114.13 3iyj s LYS 425 Ca 0.54 1.06 -0.11 0.00 -1.00 0.00 0.00 55.97 56.46 3iyj s LYS 425 Cb -0.11 -1.95 0.06 0.00 -2.06 0.00 0.00 37.83 33.78 3iyj s LYS 425 CO 0.48 -1.34 1.09 0.00 0.10 0.00 0.00 175.35 175.68 3iyj h ALA 427 N -1.13 1.00 -1.00 0.00 0.00 -1.96 -3.09 119.26 113.07 3iyj h ALA 427 Ca -0.45 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.51 3iyj h ALA 427 Cb 1.24 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 3iyj h ALA 427 CO 0.53 0.00 0.65 0.66 0.00 0.00 0.00 179.25 181.09 3iyj h SER 428 N 0.00 1.08 0.00 0.00 4.64 -1.98 0.30 113.55 117.59 3iyj h SER 428 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3iyj h SER 428 Cb 0.15 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3iyj h SER 428 CO 0.00 0.73 0.15 0.59 -0.87 0.00 0.00 176.83 177.43 3iyj n ASN 429 N -4.46 0.20 0.30 4.97 3.02 -1.17 -1.90 115.26 116.22 3iyj n ASN 429 Ca 0.14 0.50 0.17 0.00 -0.03 0.00 0.00 54.58 55.36 3iyj n ASN 429 Cb 0.11 -0.50 0.92 0.00 -0.61 0.00 0.00 39.78 39.71 3iyj n ASN 429 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3iyj h VAL 430 N 0.00 0.30 0.00 2.41 2.07 -1.17 -3.03 116.25 116.84 3iyj h VAL 430 Ca 0.00 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3iyj h VAL 430 Cb 0.30 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3iyj h VAL 430 CO 0.00 0.04 -0.01 0.40 0.02 0.00 0.00 177.57 178.02 3iyj h ILE 431 N 0.00 0.08 -0.50 4.57 2.04 -1.58 -3.18 117.51 118.93 3iyj h ILE 431 Ca -0.00 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.69 3iyj h ILE 431 Cb 0.18 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3iyj h ILE 431 CO 0.01 0.01 0.33 1.55 0.00 0.00 0.00 178.15 180.05 3iyj h PRO 432 N 0.00 0.60 -7.16 2.37 0.13 -1.80 -3.43 132.00 122.72 3iyj h PRO 432 Ca -0.00 -0.04 -0.54 0.00 -0.87 0.00 0.00 66.00 64.55 3iyj h PRO 432 Cb 0.17 -0.14 0.16 0.00 0.13 0.00 0.00 31.00 31.32 3iyj h PRO 432 CO 0.00 0.40 0.42 0.00 -0.23 0.00 0.00 178.00 178.59 3iyj s ALA 433 N -5.55 2.17 0.22 -0.56 0.00 -1.21 -4.79 121.76 112.05 3iyj s ALA 433 Ca -0.09 0.98 -0.32 0.00 0.00 0.00 0.00 51.96 52.54 3iyj s ALA 433 Cb 0.18 -3.50 -0.14 0.00 0.00 0.00 0.00 23.12 19.66 3iyj s ALA 433 CO 0.74 -1.82 1.34 1.63 0.00 0.00 0.00 175.76 177.65 3iyj n LYS 434 N -2.52 1.81 -4.33 0.00 5.02 -1.26 -4.92 118.16 111.96 3iyj n LYS 434 Ca 0.14 0.65 -0.34 0.00 -2.02 0.00 0.00 58.31 56.74 3iyj n LYS 434 Cb 0.50 -2.26 -0.12 0.00 -0.02 0.00 0.00 35.03 33.13 3iyj n LYS 434 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3iyj s GLU 435 N -0.43 3.70 0.34 1.97 4.04 -1.26 -5.07 118.70 121.99 3iyj s GLU 435 Ca 0.69 -0.50 -0.25 0.00 0.04 0.00 0.00 54.97 54.95 3iyj s GLU 435 Cb -0.70 -2.96 -0.14 0.00 0.02 0.00 0.00 34.13 30.36 3iyj s GLU 435 CO 0.50 0.23 0.72 -0.40 -1.84 0.00 0.00 175.26 174.47 3iyj n ASP 436 N 3.59 -0.10 0.14 0.83 5.75 -1.26 -4.89 116.55 120.61 3iyj n ASP 436 Ca -0.17 1.04 -0.25 0.00 -0.01 0.00 0.00 54.79 55.41 3iyj n ASP 436 Cb 0.52 -1.16 -0.16 0.00 -1.03 0.00 0.00 41.12 39.30 3iyj n ASP 436 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 3iyj h PRO 437 N 1.27 0.54 -1.00 0.11 0.13 -2.02 -3.30 132.00 127.74 3iyj h PRO 437 Ca -0.38 -0.91 -0.01 0.00 -0.87 0.00 0.00 66.00 63.83 3iyj h PRO 437 Cb 1.38 0.34 -0.00 0.00 0.13 0.00 0.00 31.00 32.85 3iyj h PRO 437 CO 0.56 1.44 0.01 0.66 -0.23 0.00 0.00 178.00 180.43 3iyj n TYR 438 N -3.74 0.06 0.23 1.56 4.02 -1.26 -4.31 117.16 113.71 3iyj n TYR 438 Ca -0.17 -0.30 0.09 0.00 -0.01 0.00 0.00 57.90 57.52 3iyj n TYR 438 Cb 1.09 -0.20 0.52 0.00 -0.02 0.00 0.00 39.34 40.73 3iyj n TYR 438 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3iyj h ALA 439 N 2.01 1.14 -0.39 -0.72 0.00 -1.95 -3.01 119.26 116.34 3iyj h ALA 439 Ca 0.01 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3iyj h ALA 439 Cb 0.81 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3iyj h ALA 439 CO 0.02 0.29 0.02 0.78 0.00 0.00 0.00 179.25 180.36 3iyj h GLY 440 N 1.54 0.73 -2.34 0.00 0.00 -1.91 -3.43 103.07 97.66 3iyj h GLY 440 Ca -0.00 -0.52 -0.48 0.00 0.00 0.00 0.00 47.33 46.33 3iyj h GLY 440 CO 0.03 0.48 -0.05 -1.36 0.00 0.00 0.00 176.54 175.64 3iyj s PHE 441 N -5.06 3.50 0.01 5.60 0.40 -1.14 -5.11 117.98 116.19 3iyj s PHE 441 Ca -0.13 0.55 -0.05 0.00 -0.60 0.00 0.00 56.93 56.70 3iyj s PHE 441 Cb 0.10 -2.12 -0.01 0.00 0.51 0.00 0.00 43.02 41.51 3iyj s PHE 441 CO 0.78 -0.11 0.09 -1.59 0.70 0.00 0.00 175.22 175.10 3iyj s LYS 442 N -4.53 0.46 0.29 0.44 0.00 -1.26 -4.92 119.74 110.21 3iyj s LYS 442 Ca 0.44 -0.50 -0.19 0.00 0.00 0.00 0.00 55.97 55.72 3iyj s LYS 442 Cb -0.10 0.18 0.02 0.00 0.00 0.00 0.00 37.83 37.93 3iyj s LYS 442 CO 0.40 -0.10 0.69 -0.59 0.00 0.00 0.00 175.35 175.75 3iyj s PHE 443 N -1.57 -0.06 0.21 1.78 -0.12 -1.26 -2.53 117.98 114.42 3iyj s PHE 443 Ca -0.14 -0.40 -0.32 0.00 -0.05 0.00 0.00 56.93 56.02 3iyj s PHE 443 Cb -0.07 0.64 -0.14 0.00 -0.63 0.00 0.00 43.02 42.82 3iyj s PHE 443 CO 0.00 -1.24 1.46 1.87 -0.05 0.00 0.00 175.22 177.26 3iyj n TRP 444 N -0.46 2.16 -3.83 3.49 -0.00 -1.01 -4.83 117.44 112.96 3iyj n TRP 444 Ca -0.04 0.39 -0.36 0.00 -0.00 0.00 0.00 57.50 57.49 3iyj n TRP 444 Cb 0.60 -2.48 -0.13 0.00 -0.00 0.00 0.00 31.31 29.29 3iyj n TRP 444 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 3iyj s ASN 445 N 0.50 4.76 -0.26 5.87 2.47 -1.26 -1.45 114.94 125.57 3iyj s ASN 445 Ca 0.72 -0.44 -0.02 0.00 0.42 0.00 0.00 52.86 53.54 3iyj s ASN 445 Cb -0.67 -1.83 0.03 0.00 -1.45 0.00 0.00 41.25 37.33 3iyj s ASN 445 CO 0.46 -0.07 -0.04 -0.63 -3.72 0.00 0.00 177.10 173.10 3iyj s ILE 446 N 1.52 3.03 -0.10 -5.21 1.01 -0.55 -4.94 121.20 115.94 3iyj s ILE 446 Ca 0.05 -1.03 -0.20 0.00 0.00 0.00 0.00 60.65 59.47 3iyj s ILE 446 Cb -0.15 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 3iyj s ILE 446 CO 0.00 0.14 0.54 -0.62 0.00 0.00 0.00 174.94 175.01 3iyj s ASP 447 N 1.34 6.77 -0.03 3.58 -1.08 -1.26 -2.03 116.67 123.96 3iyj s ASP 447 Ca -0.00 0.92 0.04 0.00 -0.52 0.00 0.00 52.55 52.98 3iyj s ASP 447 Cb -0.17 -2.32 0.06 0.00 -1.46 0.00 0.00 42.92 39.03 3iyj s ASP 447 CO -0.03 -0.03 1.03 0.18 0.52 0.00 0.00 175.17 176.84 3iyj n LEU 448 N 3.71 2.08 0.25 -1.34 4.77 -1.04 -4.79 117.00 120.64 3iyj n LEU 448 Ca -0.05 -2.22 0.18 0.00 -0.03 0.00 0.00 56.01 53.88 3iyj n LEU 448 Cb 0.52 -0.09 0.88 0.00 -2.33 0.00 0.00 43.42 42.39 3iyj n LEU 448 CO 0.44 0.54 1.15 0.11 -1.33 0.00 0.00 177.39 178.31 3iyj h LYS 449 N 0.02 0.00 0.00 3.23 1.57 -1.87 -3.13 116.57 116.40 3iyj h LYS 449 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3iyj h LYS 449 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3iyj h LYS 449 CO 0.00 0.00 -1.16 0.39 -0.57 0.00 0.00 179.45 178.11 3iyj n GLU 450 N -3.38 2.59 -1.32 3.15 1.02 -1.26 -4.69 120.64 116.74 3iyj n GLU 450 Ca 0.01 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.80 3iyj n GLU 450 Cb 0.35 -1.06 -0.05 0.00 -0.02 0.00 0.00 31.44 30.66 3iyj n GLU 450 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3iyj n LYS 451 N -2.23 3.50 -4.37 3.49 5.02 -1.18 -4.73 118.16 117.66 3iyj n LYS 451 Ca -0.04 -2.12 -0.20 0.00 -2.02 0.00 0.00 58.31 53.92 3iyj n LYS 451 Cb 0.57 -2.66 -0.16 0.00 -0.02 0.00 0.00 35.03 32.77 3iyj n LYS 451 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3iyj s LEU 452 N -0.08 1.72 0.00 -0.35 2.96 -1.25 -3.38 118.68 118.30 3iyj s LEU 452 Ca 0.68 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.44 3iyj s LEU 452 Cb 0.20 -0.55 -0.01 0.00 0.50 0.00 0.00 46.19 46.33 3iyj s LEU 452 CO -0.06 0.05 0.11 -0.24 -1.32 0.00 0.00 176.35 174.89 3iyj n SER 453 N 3.42 0.61 0.00 3.68 2.88 -1.05 -4.99 113.62 118.17 3iyj n SER 453 Ca -0.19 -2.22 0.00 0.00 -1.33 0.00 0.00 58.87 55.13 3iyj n SER 453 Cb 0.54 0.69 0.00 0.00 -0.75 0.00 0.00 64.21 64.69 3iyj n SER 453 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3iyj n LEU 454 N 0.00 0.33 -4.37 2.46 7.94 -1.26 -2.34 117.00 119.76 3iyj n LEU 454 Ca -0.01 -0.48 -0.45 0.00 -1.11 0.00 0.00 56.01 53.95 3iyj n LEU 454 Cb 0.34 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.26 3iyj n LEU 454 CO 0.18 0.08 0.53 -1.81 -1.11 0.00 0.00 177.39 175.26 3iyj s ASP 455 N -0.31 6.48 0.24 1.96 1.11 -1.26 -4.89 116.67 120.01 3iyj s ASP 455 Ca 0.00 -2.03 -0.05 0.00 0.18 0.00 0.00 52.55 50.65 3iyj s ASP 455 Cb 0.00 -2.29 0.35 0.00 1.07 0.00 0.00 42.92 42.05 3iyj s ASP 455 CO 0.00 -0.90 1.84 -0.07 1.18 0.00 0.00 175.17 177.22 3iyj h LEU 456 N 9.26 0.80 -0.80 1.23 3.38 -1.93 -2.85 115.31 124.40 3iyj h LEU 456 Ca -0.05 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.05 3iyj h LEU 456 Cb 1.06 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 3iyj h LEU 456 CO 0.98 0.50 0.42 -0.78 0.09 0.00 0.00 178.44 179.66 3iyj h ASP 457 N 0.93 0.56 -0.45 -0.43 3.58 -1.91 -3.26 116.42 115.44 3iyj h ASP 457 Ca 0.38 0.07 0.09 0.00 0.42 0.00 0.00 57.03 57.99 3iyj h ASP 457 Cb 0.21 -0.03 -0.10 0.00 1.72 0.00 0.00 39.33 41.14 3iyj h ASP 457 CO -0.19 0.29 -0.24 1.56 -2.88 0.00 0.00 179.24 177.78 3iyj h GLN 458 N 0.67 -0.14 -7.57 0.28 1.08 -1.92 -3.39 115.11 104.12 3iyj h GLN 458 Ca 0.41 0.01 -0.47 0.00 -1.45 0.00 0.00 58.65 57.15 3iyj h GLN 458 Cb 0.48 0.03 0.09 0.00 -0.05 0.00 0.00 27.48 28.03 3iyj h GLN 458 CO -0.30 -0.09 0.40 -0.06 -0.95 0.00 0.00 178.83 177.83 3iyj s PHE 459 N -6.11 3.01 0.04 2.96 0.40 -1.23 -4.99 117.98 112.07 3iyj s PHE 459 Ca -0.14 0.78 -0.27 0.00 -0.60 0.00 0.00 56.93 56.70 3iyj s PHE 459 Cb 0.15 -3.40 -0.17 0.00 0.51 0.00 0.00 43.02 40.11 3iyj s PHE 459 CO 0.70 -1.65 1.47 -1.00 0.70 0.00 0.00 175.22 175.43 3iyj h PRO 460 N -0.96 -0.40 0.00 0.24 0.13 -1.89 -2.93 132.00 126.18 3iyj h PRO 460 Ca -0.46 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3iyj h PRO 460 Cb 1.32 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.54 3iyj h PRO 460 CO 0.65 -0.16 0.00 -0.11 -0.23 0.00 0.00 178.00 178.16 3iyj n LEU 461 N -5.20 0.00 0.01 1.56 7.94 -1.26 -2.66 117.00 117.39 3iyj n LEU 461 Ca -0.10 0.46 -0.05 0.00 -1.11 0.00 0.00 56.01 55.21 3iyj n LEU 461 Cb 0.23 -0.46 -0.03 0.00 0.53 0.00 0.00 43.42 43.69 3iyj n LEU 461 CO 0.33 -0.27 0.14 1.23 -1.11 0.00 0.00 177.39 177.71 3iyj h GLY 462 N 2.00 -0.15 0.38 -3.96 0.00 -1.66 -2.45 103.07 97.24 3iyj h GLY 462 Ca 0.00 0.05 0.10 0.00 0.00 0.00 0.00 47.33 47.48 3iyj h GLY 462 CO 0.00 -0.05 0.27 3.21 0.00 0.00 0.00 176.54 179.96 3iyj h ARG 463 N -1.02 0.45 -0.55 4.80 3.08 -1.55 0.68 114.38 120.28 3iyj h ARG 463 Ca -0.01 -0.03 0.16 0.00 0.07 0.00 0.00 59.98 60.17 3iyj h ARG 463 Cb 0.26 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3iyj h ARG 463 CO 0.02 0.30 0.43 0.00 -1.07 0.00 0.00 179.97 179.65 3iyj h ARG 464 N 0.46 0.00 0.00 0.04 2.47 -1.58 0.31 114.38 116.08 3iyj h ARG 464 Ca 0.33 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.05 3iyj h ARG 464 Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 3iyj h ARG 464 CO -0.31 0.00 -0.10 0.35 0.56 0.00 0.00 179.97 180.47 3iyj h PHE 465 N 0.00 0.00 -0.93 3.04 3.57 0.71 -3.32 116.94 120.01 3iyj h PHE 465 Ca 0.26 0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.97 3iyj h PHE 465 Cb 1.12 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.79 3iyj h PHE 465 CO 0.00 0.00 0.61 -0.07 -2.23 0.00 0.00 178.31 176.62 3iyj h LEU 466 N -0.70 0.40 0.19 0.59 3.38 -0.39 -0.36 115.31 118.42 3iyj h LEU 466 Ca 0.00 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3iyj h LEU 466 Cb 0.10 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3iyj h LEU 466 CO 0.00 0.15 -0.49 0.00 0.09 0.00 0.00 178.44 178.19 3iyj h ALA 467 N 1.61 -0.93 -0.68 1.53 0.00 -0.55 0.30 119.26 120.54 3iyj h ALA 467 Ca 0.49 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.32 3iyj h ALA 467 Cb 1.24 0.80 -0.04 0.00 0.00 0.00 0.00 17.79 19.80 3iyj h ALA 467 CO -0.19 -1.09 0.45 0.37 0.00 0.00 0.00 179.25 178.79 3iyj h GLN 468 N -0.76 0.79 -0.82 0.00 4.15 -1.20 -2.32 115.11 114.94 3iyj h GLN 468 Ca -0.01 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 3iyj h GLN 468 Cb 0.75 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.23 3iyj h GLN 468 CO -0.23 0.52 0.45 0.37 -1.93 0.00 0.00 178.83 178.01 3iyj h GLN 469 N 0.81 1.13 0.00 1.69 5.75 -0.02 -3.47 115.11 121.01 3iyj h GLN 469 Ca 0.27 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 3iyj h GLN 469 Cb 0.07 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.39 3iyj h GLN 469 CO -0.08 0.83 0.00 0.41 -2.65 0.00 0.00 178.83 177.35 3iyj n GLY 470 N -1.12 2.33 3.48 2.39 0.00 -0.06 -5.00 105.19 107.20 3iyj n GLY 470 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 3iyj n GLY 470 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyj s ALA 471 N -2.09 3.80 -0.08 4.61 0.00 -1.15 -4.98 121.76 121.88 3iyj s ALA 471 Ca 0.00 -3.20 0.04 0.00 0.00 0.00 0.00 51.96 48.81 3iyj s ALA 471 Cb 0.00 -4.18 -0.00 0.00 0.00 0.00 0.00 23.12 18.93 3iyj s ALA 471 CO 0.00 -2.88 -0.21 0.20 0.00 0.00 0.00 175.76 172.86 3iyj s GLY 472 N 3.16 1.18 -0.01 0.00 0.00 -1.26 -4.34 107.32 106.05 3iyj s GLY 472 Ca 0.43 -0.86 0.21 0.00 0.00 0.00 0.00 44.72 44.50 3iyj s GLY 472 CO -0.01 -0.35 0.80 0.00 0.00 0.00 0.00 173.10 173.55 3iyj s SER 474 N -3.42 0.95 0.17 0.00 0.15 -1.26 -5.14 113.70 105.14 3iyj s SER 474 Ca 0.04 -1.11 -0.28 0.00 0.70 0.00 0.00 55.95 55.29 3iyj s SER 474 Cb 0.15 0.75 -0.08 0.00 -1.71 0.00 0.00 66.02 65.14 3iyj s SER 474 CO 0.88 -0.30 0.87 -0.89 1.20 0.00 0.00 173.24 175.00 3iyj s THR 475 N 1.88 4.32 -1.29 6.45 2.01 -1.26 -4.51 115.64 123.24 3iyj s THR 475 Ca 0.14 1.91 -0.17 0.00 0.31 0.00 0.00 61.69 63.87 3iyj s THR 475 Cb -0.14 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.14 3iyj s THR 475 CO -0.15 0.46 2.02 0.52 -0.69 0.00 0.00 174.62 176.77 3iyj n VAL 476 N 1.90 3.22 -3.64 3.82 0.31 -1.26 -4.84 118.33 117.83 3iyj n VAL 476 Ca -0.03 -3.03 -0.19 0.00 -0.01 0.00 0.00 64.34 61.09 3iyj n VAL 476 Cb 0.48 -2.45 -0.16 0.00 -0.91 0.00 0.00 33.84 30.80 3iyj n VAL 476 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3iyj s ARG 477 N 4.04 0.02 -0.49 5.55 1.81 -1.26 -5.00 118.95 123.61 3iyj s ARG 477 Ca 0.52 0.39 0.07 0.00 -1.72 0.00 0.00 55.73 55.00 3iyj s ARG 477 Cb 0.10 -0.63 0.25 0.00 -0.45 0.00 0.00 34.95 34.22 3iyj s ARG 477 CO 0.01 -0.39 0.62 0.36 -0.68 0.00 0.00 175.30 175.22 3iyj n LYS 478 N 5.31 1.49 -1.83 3.54 2.85 -1.26 -5.10 118.16 123.16 3iyj n LYS 478 Ca -0.05 -3.83 -0.41 0.00 -1.05 0.00 0.00 58.31 52.97 3iyj n LYS 478 Cb 0.50 -1.66 -0.02 0.00 -0.65 0.00 0.00 35.03 33.20 3iyj n LYS 478 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3iyj s ARG 479 N -1.76 4.15 -0.11 -1.58 0.52 -1.26 -4.99 118.95 113.92 3iyj s ARG 479 Ca 0.37 2.52 0.02 0.00 -0.52 0.00 0.00 55.73 58.12 3iyj s ARG 479 Cb 0.17 -3.04 0.01 0.00 0.52 0.00 0.00 34.95 32.61 3iyj s ARG 479 CO -0.07 -0.58 -0.18 -0.98 0.02 0.00 0.00 175.30 173.51 3iyj s ARG 480 N -0.55 2.50 0.04 3.54 1.70 -1.26 -5.12 118.95 119.80 3iyj s ARG 480 Ca 0.62 -0.67 0.03 0.00 -0.47 0.00 0.00 55.73 55.24 3iyj s ARG 480 Cb -0.46 -2.05 -0.04 0.00 -0.57 0.00 0.00 34.95 31.82 3iyj s ARG 480 CO 0.48 -0.02 0.02 0.42 -1.08 0.00 0.00 175.30 175.12 3iyj s ILE 481 N 0.85 4.23 0.00 4.99 -1.09 -1.26 -5.34 121.20 123.58 3iyj s ILE 481 Ca -0.08 -0.74 0.00 0.00 -2.23 0.00 0.00 60.65 57.60 3iyj s ILE 481 Cb -0.15 -2.96 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 3iyj s ILE 481 CO -0.00 0.25 0.00 -0.24 -1.23 0.00 0.00 174.94 173.72