#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upc s THR 13 N 0.00 1.25 0.14 0.52 -1.32 -1.26 -4.57 115.64 110.40 1upc s THR 13 Ca 0.00 -2.00 0.28 0.00 -1.21 0.00 0.00 61.69 58.76 1upc s THR 13 Cb 0.00 -2.37 0.30 0.00 -1.51 0.00 0.00 72.50 68.91 1upc s THR 13 CO 0.00 0.00 1.90 0.00 -2.21 0.00 0.00 174.62 174.31 1upc h ALA 14 N 1.52 1.03 -0.14 11.08 0.00 -1.14 -2.13 119.26 129.48 1upc h ALA 14 Ca -0.43 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.39 1upc h ALA 14 Cb 1.29 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1upc h ALA 14 CO 0.73 0.17 -0.01 0.00 0.00 0.00 0.00 179.25 180.13 1upc h ALA 15 N 1.87 0.11 -0.42 0.00 0.00 -1.63 -0.17 119.26 119.02 1upc h ALA 15 Ca -0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1upc h ALA 15 Cb 0.63 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1upc h ALA 15 CO 0.02 -0.46 0.20 1.25 0.00 0.00 0.00 179.25 180.25 1upc h HIS 16 N 0.03 0.61 -0.38 0.00 6.17 -1.73 -1.88 115.15 117.97 1upc h HIS 16 Ca 0.07 -0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.06 1upc h HIS 16 Cb 0.09 -0.19 -0.02 0.00 2.52 0.00 0.00 27.41 29.81 1upc h HIS 16 CO -0.16 0.50 0.01 0.00 0.71 0.00 0.00 177.93 178.99 1upc h ALA 17 N 1.04 1.31 -0.09 5.26 0.00 -1.34 0.21 119.26 125.64 1upc h ALA 17 Ca 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1upc h ALA 17 Cb 0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1upc h ALA 17 CO -0.02 0.47 -0.01 1.25 0.00 0.00 0.00 179.25 180.94 1upc h LEU 18 N 0.57 0.17 -0.71 0.00 5.85 -0.79 -2.10 115.31 118.30 1upc h LEU 18 Ca 0.12 -0.35 -0.14 0.00 0.84 0.00 0.00 57.88 58.36 1upc h LEU 18 Cb 0.35 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1upc h LEU 18 CO 0.01 0.48 -0.53 -0.07 -0.34 0.00 0.00 178.44 177.99 1upc h LEU 19 N -0.14 0.35 -0.67 2.25 3.38 -1.07 -1.66 115.31 117.75 1upc h LEU 19 Ca 0.02 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 1upc h LEU 19 Cb 0.40 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1upc h LEU 19 CO 0.01 0.81 -0.42 -1.28 0.09 0.00 0.00 178.44 177.65 1upc h SER 20 N 0.25 0.58 0.76 -0.43 0.87 -0.60 -1.74 113.55 113.24 1upc h SER 20 Ca 0.01 -0.26 -0.23 0.00 -1.23 0.00 0.00 61.79 60.07 1upc h SER 20 Cb 1.01 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 1upc h SER 20 CO 0.09 0.93 -1.06 -0.09 -0.53 0.00 0.00 176.83 176.17 1upc h ARG 21 N 0.45 0.15 -0.84 2.24 9.65 -1.09 -1.67 114.38 123.27 1upc h ARG 21 Ca 0.04 -0.23 -0.01 0.00 -1.10 0.00 0.00 59.98 58.67 1upc h ARG 21 Cb 0.92 0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 29.54 1upc h ARG 21 CO 0.08 1.07 0.47 -0.07 2.80 0.00 0.00 179.97 184.32 1upc h LEU 22 N 0.05 1.04 -0.50 3.80 3.38 -1.20 -2.63 115.31 119.26 1upc h LEU 22 Ca -0.07 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 1upc h LEU 22 Cb 1.78 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 1upc h LEU 22 CO 0.16 0.82 -0.22 -0.09 0.09 0.00 0.00 178.44 179.20 1upc h ARG 23 N 1.17 0.99 -0.26 1.13 2.43 -1.09 -1.51 114.38 117.25 1upc h ARG 23 Ca 0.30 -0.43 0.07 0.00 -0.81 0.00 0.00 59.98 59.12 1upc h ARG 23 Cb 0.01 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1upc h ARG 23 CO -0.05 1.10 0.19 -0.44 -1.51 0.00 0.00 179.97 179.26 1upc h ASP 24 N 0.85 0.00 -0.38 -3.80 3.32 -1.14 -0.66 116.42 114.61 1upc h ASP 24 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1upc h ASP 24 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1upc h ASP 24 CO 0.07 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 179.00 1upc n HIS 25 N -4.36 0.75 -0.24 4.55 8.25 -0.86 -4.79 115.22 118.53 1upc n HIS 25 Ca 0.03 -0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.18 1upc n HIS 25 Cb 0.35 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.35 1upc n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1upc n GLY 26 N 0.88 1.03 3.70 -1.41 0.00 -0.26 -4.69 105.19 104.45 1upc n GLY 26 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1upc n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upc s VAL 27 N -2.69 3.23 -0.26 1.61 1.01 -0.63 -4.91 120.40 117.76 1upc s VAL 27 Ca 0.00 0.80 0.08 0.00 0.00 0.00 0.00 61.98 62.86 1upc s VAL 27 Cb 0.00 -3.51 -0.10 0.00 0.00 0.00 0.00 36.38 32.77 1upc s VAL 27 CO 0.00 0.03 0.29 0.61 0.00 0.00 0.00 175.10 176.04 1upc n GLY 28 N 3.67 0.03 3.01 4.51 0.00 -1.26 -4.14 105.19 111.01 1upc n GLY 28 Ca 0.13 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 1upc n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upc s LYS 29 N -2.04 0.61 -0.23 1.61 -0.14 -1.26 -2.11 119.74 116.19 1upc s LYS 29 Ca 0.01 -0.33 -0.01 0.00 -1.36 0.00 0.00 55.97 54.28 1upc s LYS 29 Cb 0.06 -0.58 0.02 0.00 -1.68 0.00 0.00 37.83 35.65 1upc s LYS 29 CO 0.34 0.15 -0.09 0.08 -0.76 0.00 0.00 175.35 175.07 1upc s VAL 30 N -0.30 2.75 0.03 3.17 1.01 -0.22 -4.38 120.40 122.46 1upc s VAL 30 Ca 0.02 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 1upc s VAL 30 Cb -0.04 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.97 1upc s VAL 30 CO -0.00 0.32 0.55 -0.36 0.00 0.00 0.00 175.10 175.62 1upc s PHE 31 N 1.34 3.74 -1.44 5.22 0.40 -0.98 -0.60 117.98 125.66 1upc s PHE 31 Ca 0.02 1.20 0.00 0.00 -0.60 0.00 0.00 56.93 57.55 1upc s PHE 31 Cb -0.15 -2.51 0.00 0.00 0.51 0.00 0.00 43.02 40.86 1upc s PHE 31 CO -0.06 0.49 0.00 0.41 0.70 0.00 0.00 175.22 176.76 1upc n GLY 32 N 2.06 -1.06 2.91 4.36 0.00 -0.72 -0.60 105.19 112.14 1upc n GLY 32 Ca -0.09 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 1upc n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upc s VAL 33 N -3.00 0.93 0.01 1.61 1.01 -0.96 -1.22 120.40 118.78 1upc s VAL 33 Ca 0.00 -0.25 -0.22 0.00 0.00 0.00 0.00 61.98 61.51 1upc s VAL 33 Cb 0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1upc s VAL 33 CO 0.00 0.34 0.64 -0.69 0.00 0.00 0.00 175.10 175.39 1upc s VAL 34 N 1.54 4.86 0.00 2.92 1.01 -1.26 -3.74 120.40 125.73 1upc s VAL 34 Ca 0.01 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.34 1upc s VAL 34 Cb -0.13 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1upc s VAL 34 CO -0.06 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1upc n GLY 35 N 2.43 3.69 0.10 4.51 0.00 -1.26 -4.96 105.19 109.71 1upc n GLY 35 Ca -0.06 -1.99 0.08 0.00 0.00 0.00 0.00 46.02 44.04 1upc n GLY 35 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1upc n ARG 36 N 0.00 0.10 0.00 1.61 1.85 -1.26 -0.86 116.66 118.09 1upc n ARG 36 Ca 0.00 0.54 0.02 0.00 -1.00 0.00 0.00 57.85 57.41 1upc n ARG 36 Cb 0.00 -1.78 0.12 0.00 -1.05 0.00 0.00 32.46 29.75 1upc n ARG 36 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1upc n GLU 37 N -1.98 0.09 0.19 2.89 0.00 -1.26 -2.19 120.64 118.38 1upc n GLU 37 Ca -0.00 0.17 0.17 0.00 0.00 0.00 0.00 57.16 57.49 1upc n GLU 37 Cb 0.06 -1.50 0.80 0.00 0.00 0.00 0.00 31.44 30.80 1upc n GLU 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1upc h ALA 38 N 2.23 1.88 0.00 -1.84 0.00 -1.17 -0.07 119.26 120.29 1upc h ALA 38 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1upc h ALA 38 Cb 0.03 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1upc h ALA 38 CO 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 179.25 178.89 1upc h ALA 39 N 1.78 1.29 0.00 0.00 0.00 -1.71 -3.19 119.26 117.43 1upc h ALA 39 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1upc h ALA 39 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1upc h ALA 39 CO -0.00 0.06 -1.49 0.43 0.00 0.00 0.00 179.25 178.25 1upc n SER 40 N -3.57 1.98 -3.69 0.00 7.64 -0.17 -4.97 113.62 110.84 1upc n SER 40 Ca -0.02 -0.07 -0.17 0.00 1.01 0.00 0.00 58.87 59.62 1upc n SER 40 Cb 0.16 1.53 -0.16 0.00 -1.01 0.00 0.00 64.21 64.72 1upc n SER 40 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1upc s ILE 41 N -2.82 -0.18 -0.08 0.44 2.07 -0.43 -4.50 121.20 115.72 1upc s ILE 41 Ca -0.04 0.34 -0.09 0.00 -1.41 0.00 0.00 60.65 59.45 1upc s ILE 41 Cb 0.08 -0.24 -0.29 0.00 0.13 0.00 0.00 42.46 42.14 1upc s ILE 41 CO 0.52 0.14 0.55 -0.07 -1.91 0.00 0.00 174.94 174.17 1upc h LEU 42 N 8.14 0.54 0.00 8.50 3.38 -1.88 -3.37 115.31 130.62 1upc h LEU 42 Ca -0.20 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 56.83 1upc h LEU 42 Cb 1.12 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1upc h LEU 42 CO 0.21 1.82 0.00 0.49 0.09 0.00 0.00 178.44 181.05 1upc n PHE 43 N -3.55 0.00 -0.15 1.13 3.72 -1.26 -4.96 117.46 112.39 1upc n PHE 43 Ca -0.28 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.14 1upc n PHE 43 Cb 1.07 -0.25 0.02 0.00 -0.94 0.00 0.00 39.48 39.38 1upc n PHE 43 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1upc n ASP 44 N 0.98 2.06 0.26 4.37 5.75 -1.26 -4.57 116.55 124.14 1upc n ASP 44 Ca 0.00 -2.15 0.12 0.00 -0.01 0.00 0.00 54.79 52.75 1upc n ASP 44 Cb 0.00 -0.06 0.68 0.00 -1.03 0.00 0.00 41.12 40.71 1upc n ASP 44 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1upc h GLU 45 N 0.02 0.00 -4.06 0.11 3.07 -1.93 -3.42 114.58 108.38 1upc h GLU 45 Ca 0.00 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.43 1upc h GLU 45 Cb 0.57 0.00 -0.35 0.00 -0.84 0.00 0.00 28.75 28.14 1upc h GLU 45 CO 0.00 0.14 -0.78 0.08 -1.40 0.00 0.00 179.01 177.05 1upc s VAL 46 N -4.11 0.63 0.25 3.13 1.01 -1.26 -4.99 120.40 115.05 1upc s VAL 46 Ca -0.02 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 1upc s VAL 46 Cb 0.13 -0.65 -0.09 0.00 0.00 0.00 0.00 36.38 35.76 1upc s VAL 46 CO 0.59 0.26 1.15 -0.70 0.00 0.00 0.00 175.10 176.40 1upc s GLU 47 N 1.09 4.57 0.00 2.72 2.12 -1.26 -3.52 118.70 124.42 1upc s GLU 47 Ca -0.08 1.86 0.00 0.00 0.36 0.00 0.00 54.97 57.11 1upc s GLU 47 Cb -0.14 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.05 1upc s GLU 47 CO -0.01 0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.20 1upc n GLY 48 N 1.51 0.47 2.96 -1.50 0.00 -1.26 -5.04 105.19 102.33 1upc n GLY 48 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1upc n GLY 48 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1upc s ILE 49 N -2.15 1.45 0.02 -0.61 2.07 -1.23 -4.43 121.20 116.32 1upc s ILE 49 Ca 0.00 -0.83 0.02 0.00 -1.41 0.00 0.00 60.65 58.42 1upc s ILE 49 Cb 0.00 -1.54 -0.04 0.00 0.13 0.00 0.00 42.46 41.01 1upc s ILE 49 CO 0.00 0.19 0.03 -1.81 -1.91 0.00 0.00 174.94 171.44 1upc s ASP 50 N 1.49 5.31 0.07 4.50 1.01 -0.89 -4.85 116.67 123.31 1upc s ASP 50 Ca 0.00 0.01 -0.25 0.00 0.71 0.00 0.00 52.55 53.02 1upc s ASP 50 Cb -0.15 -1.41 -0.06 0.00 1.01 0.00 0.00 42.92 42.30 1upc s ASP 50 CO -0.08 0.25 0.76 0.12 0.21 0.00 0.00 175.17 176.43 1upc s PHE 51 N -1.19 3.78 -0.33 4.23 5.36 -1.26 -1.05 117.98 127.52 1upc s PHE 51 Ca 0.23 1.51 -0.02 0.00 -0.96 0.00 0.00 56.93 57.69 1upc s PHE 51 Cb -0.12 -2.80 0.07 0.00 -0.34 0.00 0.00 43.02 39.83 1upc s PHE 51 CO 0.14 0.33 0.06 0.08 -1.46 0.00 0.00 175.22 174.37 1upc s VAL 52 N -0.32 3.01 0.00 3.12 1.01 0.23 -4.92 120.40 122.53 1upc s VAL 52 Ca 0.38 -1.64 -0.29 0.00 0.00 0.00 0.00 61.98 60.43 1upc s VAL 52 Cb -0.21 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1upc s VAL 52 CO 0.24 -0.30 0.94 -0.22 0.00 0.00 0.00 175.10 175.76 1upc s LEU 53 N 1.20 4.37 0.47 3.92 2.96 -1.26 -1.76 118.68 128.58 1upc s LEU 53 Ca -0.00 1.60 0.06 0.00 -0.22 0.00 0.00 54.13 55.57 1upc s LEU 53 Cb -0.20 -3.50 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 1upc s LEU 53 CO -0.02 -0.22 0.22 0.42 -1.32 0.00 0.00 176.35 175.42 1upc s THR 54 N 0.89 1.93 -0.65 3.68 -4.23 -0.35 -4.92 115.64 111.98 1upc s THR 54 Ca 0.49 -1.68 0.24 0.00 -1.18 0.00 0.00 61.69 59.57 1upc s THR 54 Cb -0.21 -2.61 0.09 0.00 1.34 0.00 0.00 72.50 71.11 1upc s THR 54 CO 0.27 0.00 1.39 0.54 -0.54 0.00 0.00 174.62 176.28 1upc n ARG 55 N -1.40 0.29 -3.67 3.99 5.12 -1.26 -4.73 116.66 115.00 1upc n ARG 55 Ca -0.04 0.11 -0.15 0.00 -1.93 0.00 0.00 57.85 55.84 1upc n ARG 55 Cb 0.65 -1.71 -0.08 0.00 -1.16 0.00 0.00 32.46 30.16 1upc n ARG 55 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1upc s HIS 56 N -3.16 -0.44 0.32 -1.55 2.46 -1.26 -5.00 115.29 106.66 1upc s HIS 56 Ca 0.07 0.88 0.08 0.00 0.47 0.00 0.00 55.06 56.56 1upc s HIS 56 Cb 0.13 0.22 0.55 0.00 -0.13 0.00 0.00 32.58 33.34 1upc s HIS 56 CO 0.70 -0.41 1.75 0.93 -2.47 0.00 0.00 174.74 175.24 1upc h GLU 57 N 4.12 0.21 -0.67 2.88 3.07 -1.90 -2.64 114.58 119.65 1upc h GLU 57 Ca -0.28 -0.09 0.12 0.00 -0.50 0.00 0.00 59.36 58.61 1upc h GLU 57 Cb 1.17 -0.01 -0.09 0.00 -0.84 0.00 0.00 28.75 28.98 1upc h GLU 57 CO 0.33 0.54 0.23 0.35 -1.40 0.00 0.00 179.01 179.06 1upc h PHE 58 N 0.18 0.39 -0.66 4.33 3.57 -1.87 -1.29 116.94 121.58 1upc h PHE 58 Ca 0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 1upc h PHE 58 Cb 0.72 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 1upc h PHE 58 CO 0.01 0.05 0.27 1.15 -2.23 0.00 0.00 178.31 177.56 1upc h THR 59 N 0.38 1.24 -0.67 4.41 2.02 -1.84 -1.34 112.91 117.10 1upc h THR 59 Ca 0.35 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1upc h THR 59 Cb 0.50 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1upc h THR 59 CO -0.37 0.29 0.38 0.00 0.37 0.00 0.00 175.52 176.19 1upc h ALA 60 N 1.12 0.86 -0.39 6.16 0.00 -1.21 -1.43 119.26 124.37 1upc h ALA 60 Ca 0.22 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1upc h ALA 60 Cb 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1upc h ALA 60 CO -0.02 0.36 -0.17 0.78 0.00 0.00 0.00 179.25 180.20 1upc h GLY 61 N 0.92 0.88 1.17 0.00 0.00 -0.60 -2.59 103.07 102.84 1upc h GLY 61 Ca 0.24 -0.78 -0.17 0.00 0.00 0.00 0.00 47.33 46.62 1upc h GLY 61 CO -0.04 0.71 -0.45 -2.08 0.00 0.00 0.00 176.54 174.68 1upc h VAL 62 N 0.62 1.27 -0.43 4.60 2.07 -1.21 -1.73 116.25 121.44 1upc h VAL 62 Ca 0.09 -1.62 0.06 0.00 0.82 0.00 0.00 66.70 66.05 1upc h VAL 62 Cb 0.72 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 1upc h VAL 62 CO 0.05 0.54 0.11 0.00 0.02 0.00 0.00 177.57 178.29 1upc h ALA 63 N 0.77 0.49 -0.50 1.67 0.00 -1.20 -0.70 119.26 119.79 1upc h ALA 63 Ca 0.04 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1upc h ALA 63 Cb 1.04 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1upc h ALA 63 CO 0.10 -0.29 0.18 0.00 0.00 0.00 0.00 179.25 179.25 1upc h ALA 64 N 1.31 0.65 -0.37 0.00 0.00 -1.40 -1.15 119.26 118.30 1upc h ALA 64 Ca 0.21 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1upc h ALA 64 Cb 0.24 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1upc h ALA 64 CO -0.25 0.28 -0.10 0.22 0.00 0.00 0.00 179.25 179.40 1upc h ASP 65 N 0.67 -0.35 -0.10 0.00 1.82 -0.73 -0.01 116.42 117.72 1upc h ASP 65 Ca 0.16 0.11 -0.07 0.00 -0.39 0.00 0.00 57.03 56.85 1upc h ASP 65 Cb 0.22 0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.47 1upc h ASP 65 CO -0.01 -0.13 -0.20 0.58 -1.61 0.00 0.00 179.24 177.87 1upc h VAL 66 N -0.01 1.39 -0.96 2.25 2.07 -1.08 -0.83 116.25 119.08 1upc h VAL 66 Ca 0.18 -1.48 0.14 0.00 0.82 0.00 0.00 66.70 66.36 1upc h VAL 66 Cb 0.27 2.11 -0.09 0.00 -1.52 0.00 0.00 31.29 32.06 1upc h VAL 66 CO -0.38 0.43 0.57 0.25 0.02 0.00 0.00 177.57 178.46 1upc h LEU 67 N -0.13 0.79 -0.71 2.57 5.85 -1.14 -1.42 115.31 121.12 1upc h LEU 67 Ca 0.00 0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 1upc h LEU 67 Cb 0.78 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1upc h LEU 67 CO 0.04 0.37 -0.40 0.00 -0.34 0.00 0.00 178.44 178.11 1upc h ALA 68 N 1.56 0.88 -0.07 1.25 0.00 -0.70 -1.56 119.26 120.63 1upc h ALA 68 Ca 0.50 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1upc h ALA 68 Cb 0.62 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1upc h ALA 68 CO -0.31 0.64 -0.05 -0.09 0.00 0.00 0.00 179.25 179.44 1upc h ARG 69 N 0.43 0.15 -0.33 0.00 2.43 -0.40 -0.96 114.38 115.70 1upc h ARG 69 Ca 0.04 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 58.98 1upc h ARG 69 Cb 0.89 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1upc h ARG 69 CO 0.08 0.55 -0.42 0.82 -1.51 0.00 0.00 179.97 179.49 1upc h ILE 70 N -0.25 1.28 0.00 1.20 2.04 -1.29 -3.19 117.51 117.31 1upc h ILE 70 Ca 0.01 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.28 1upc h ILE 70 Cb 0.51 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1upc h ILE 70 CO 0.01 0.52 -0.04 0.71 0.00 0.00 0.00 178.15 179.35 1upc h THR 71 N 0.65 0.00 -0.16 -0.27 1.35 -1.36 -3.48 112.91 109.64 1upc h THR 71 Ca 0.04 -0.94 -0.07 0.00 -0.55 0.00 0.00 66.41 64.89 1upc h THR 71 Cb 1.02 1.92 -0.03 0.00 -1.73 0.00 0.00 68.15 69.33 1upc h THR 71 CO 0.10 0.00 -0.06 0.61 -0.25 0.00 0.00 175.52 175.92 1upc n GLY 72 N 1.13 0.46 3.43 5.82 0.00 -0.37 -5.02 105.19 110.64 1upc n GLY 72 Ca 0.04 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 1upc n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upc s ARG 73 N -1.80 1.56 0.34 1.61 0.52 -1.21 -4.83 118.95 115.13 1upc s ARG 73 Ca 0.00 -1.38 -0.28 0.00 -0.52 0.00 0.00 55.73 53.55 1upc s ARG 73 Cb 0.00 -1.93 -0.12 0.00 0.52 0.00 0.00 34.95 33.42 1upc s ARG 73 CO 0.00 0.43 1.36 -2.30 0.02 0.00 0.00 175.30 174.81 1upc n PRO 74 N 0.58 2.28 -4.44 3.54 -0.02 -1.26 -4.38 135.00 131.30 1upc n PRO 74 Ca -0.15 0.80 -0.27 0.00 -2.02 0.00 0.00 63.50 61.86 1upc n PRO 74 Cb 0.54 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 31.52 1upc n PRO 74 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1upc n GLN 75 N 0.65 0.67 -3.75 -0.52 1.13 -0.99 -4.59 117.38 109.98 1upc n GLN 75 Ca 0.04 -3.46 -0.12 0.00 -1.94 0.00 0.00 57.00 51.52 1upc n GLN 75 Cb 0.37 1.52 -0.11 0.00 0.11 0.00 0.00 30.24 32.12 1upc n GLN 75 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1upc s ALA 76 N -3.00 -0.76 0.19 -1.58 0.00 -1.26 -0.36 121.76 114.99 1upc s ALA 76 Ca 0.13 0.97 0.01 0.00 0.00 0.00 0.00 51.96 53.07 1upc s ALA 76 Cb 0.01 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 1upc s ALA 76 CO 0.09 -0.17 0.03 0.00 0.00 0.00 0.00 175.76 175.71 1upc s TRP 78 N -3.73 -0.14 0.22 0.00 -0.11 0.23 -1.42 118.94 113.98 1upc s TRP 78 Ca 0.27 0.36 -0.12 0.00 1.22 0.00 0.00 56.10 57.83 1upc s TRP 78 Cb 0.07 0.03 -0.00 0.00 -1.50 0.00 0.00 33.47 32.06 1upc s TRP 78 CO 0.06 -0.08 0.42 0.00 -4.62 0.00 0.00 176.95 172.72 1upc s ALA 79 N 0.24 -0.17 0.76 5.86 0.00 -0.41 -2.27 121.76 125.76 1upc s ALA 79 Ca -0.01 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 51.04 1upc s ALA 79 Cb -0.03 1.02 0.13 0.00 0.00 0.00 0.00 23.12 24.24 1upc s ALA 79 CO -0.01 -0.79 1.05 -0.08 0.00 0.00 0.00 175.76 175.94 1upc s THR 80 N -4.00 2.17 0.91 0.00 -1.32 -1.25 -1.84 115.64 110.31 1upc s THR 80 Ca 0.21 -0.42 -0.10 0.00 -1.21 0.00 0.00 61.69 60.17 1upc s THR 80 Cb 0.01 -2.75 0.14 0.00 -1.51 0.00 0.00 72.50 68.39 1upc s THR 80 CO 0.06 0.00 1.13 -1.48 -2.21 0.00 0.00 174.62 172.12 1upc s LEU 81 N -5.29 2.70 0.00 9.08 2.34 -1.18 -1.21 118.68 125.12 1upc s LEU 81 Ca 0.66 2.08 0.00 0.00 0.06 0.00 0.00 54.13 56.93 1upc s LEU 81 Cb -0.06 -4.46 0.00 0.00 -0.56 0.00 0.00 46.19 41.11 1upc s LEU 81 CO 0.46 -3.04 0.00 0.61 -1.06 0.00 0.00 176.35 173.31 1upc n GLY 82 N 0.03 2.81 0.30 -3.48 0.00 -1.11 -1.97 105.19 101.77 1upc n GLY 82 Ca 0.11 0.12 0.19 0.00 0.00 0.00 0.00 46.02 46.44 1upc n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1upc h PRO 83 N 0.00 0.00 0.22 1.61 0.13 -1.84 -2.19 132.00 129.92 1upc h PRO 83 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1upc h PRO 83 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1upc h PRO 83 CO 0.00 0.02 -0.23 0.78 -0.23 0.00 0.00 178.00 178.34 1upc h GLY 84 N 1.03 -0.50 1.00 1.56 0.00 -1.41 -1.84 103.07 102.92 1upc h GLY 84 Ca -0.00 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1upc h GLY 84 CO 0.00 -0.21 0.32 1.98 0.00 0.00 0.00 176.54 178.63 1upc h MET 85 N -0.49 0.66 -0.12 4.80 -1.53 -0.57 -0.03 114.93 117.66 1upc h MET 85 Ca 0.00 -0.04 -0.09 0.00 -3.44 0.00 0.00 59.70 56.13 1upc h MET 85 Cb 0.46 -0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 31.35 1upc h MET 85 CO -0.06 0.45 -0.33 1.79 0.14 0.00 0.00 176.91 178.89 1upc h THR 86 N 0.67 1.27 -0.45 -0.77 1.35 -1.45 -1.20 112.91 112.34 1upc h THR 86 Ca 0.18 -1.32 -0.14 0.00 -0.55 0.00 0.00 66.41 64.58 1upc h THR 86 Cb -0.06 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 1upc h THR 86 CO -0.04 0.40 -0.28 0.78 -0.25 0.00 0.00 175.52 176.13 1upc h ASN 87 N 0.21 1.02 0.39 5.36 2.35 -0.74 -2.66 115.58 121.51 1upc h ASN 87 Ca 0.03 -0.42 -0.04 0.00 -0.55 0.00 0.00 56.30 55.32 1upc h ASN 87 Cb 0.69 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1upc h ASN 87 CO 0.05 1.22 -0.19 0.25 -1.65 0.00 0.00 177.43 177.11 1upc h LEU 88 N 0.83 0.00 -1.81 1.61 6.46 -0.70 -3.18 115.31 118.51 1upc h LEU 88 Ca 0.09 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1upc h LEU 88 Cb 0.87 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.79 1upc h LEU 88 CO 0.08 0.19 0.07 0.77 -0.62 0.00 0.00 178.44 178.92 1upc h SER 89 N 0.00 0.17 -0.02 1.25 4.64 -0.85 -0.26 113.55 118.47 1upc h SER 89 Ca -0.00 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 1upc h SER 89 Cb 0.44 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1upc h SER 89 CO 0.02 0.15 -0.19 0.74 -0.87 0.00 0.00 176.83 176.68 1upc h THR 90 N 0.19 1.23 -0.39 2.95 2.02 -1.69 0.97 112.91 118.19 1upc h THR 90 Ca 0.05 -1.06 -0.08 0.00 0.77 0.00 0.00 66.41 66.09 1upc h THR 90 Cb 0.02 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1upc h THR 90 CO -0.01 0.33 -0.09 1.23 0.37 0.00 0.00 175.52 177.36 1upc h GLY 91 N 0.93 0.81 1.02 2.16 0.00 -1.27 -1.78 103.07 104.95 1upc h GLY 91 Ca 0.06 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1upc h GLY 91 CO 0.03 0.61 0.51 -2.22 0.00 0.00 0.00 176.54 175.47 1upc h ILE 92 N 0.56 1.24 -0.36 2.60 2.04 -0.95 -1.79 117.51 120.86 1upc h ILE 92 Ca 0.10 -0.55 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 1upc h ILE 92 Cb 0.60 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1upc h ILE 92 CO 0.04 0.26 -0.09 0.00 0.00 0.00 0.00 178.15 178.36 1upc h ALA 93 N 1.27 1.18 -0.52 1.87 0.00 -0.78 -0.42 119.26 121.87 1upc h ALA 93 Ca 0.31 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1upc h ALA 93 Cb -0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1upc h ALA 93 CO -0.06 0.53 0.30 1.15 0.00 0.00 0.00 179.25 181.17 1upc h THR 94 N 0.56 1.03 -0.54 0.00 2.02 -0.66 -1.88 112.91 113.44 1upc h THR 94 Ca 0.10 -0.20 -0.11 0.00 0.77 0.00 0.00 66.41 66.97 1upc h THR 94 Cb 0.49 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1upc h THR 94 CO 0.03 0.11 -0.10 -1.28 0.37 0.00 0.00 175.52 174.65 1upc h SER 95 N 0.59 1.00 0.21 4.18 0.87 -0.78 0.47 113.55 120.09 1upc h SER 95 Ca 0.22 -0.32 -0.22 0.00 -1.23 0.00 0.00 61.79 60.24 1upc h SER 95 Cb 0.05 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.75 1upc h SER 95 CO -0.11 1.10 -0.87 1.62 -0.53 0.00 0.00 176.83 178.04 1upc h VAL 96 N 0.90 1.36 0.14 2.23 3.04 -0.83 -0.55 116.25 122.53 1upc h VAL 96 Ca 0.14 -2.27 -0.33 0.00 -1.01 0.00 0.00 66.70 63.24 1upc h VAL 96 Cb 0.65 2.26 -0.01 0.00 -2.01 0.00 0.00 31.29 32.19 1upc h VAL 96 CO 0.05 0.69 -1.68 -0.07 -1.01 0.00 0.00 177.57 175.55 1upc h LEU 97 N 0.31 0.45 0.00 3.16 3.38 -1.34 -3.33 115.31 117.92 1upc h LEU 97 Ca -0.07 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.21 1upc h LEU 97 Cb 1.49 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1upc h LEU 97 CO 0.16 1.59 -0.32 0.44 0.09 0.00 0.00 178.44 180.40 1upc h ASP 98 N 0.08 0.00 -3.43 -0.43 5.19 -0.98 -3.41 116.42 113.44 1upc h ASP 98 Ca -0.30 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 1upc h ASP 98 Cb 2.05 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.55 1upc h ASP 98 CO 0.15 0.02 -0.25 0.54 -3.12 0.00 0.00 179.24 176.59 1upc n ARG 99 N -2.57 -0.80 -3.71 3.56 5.12 -0.24 -4.93 116.66 113.08 1upc n ARG 99 Ca 0.04 1.02 -0.14 0.00 -1.93 0.00 0.00 57.85 56.84 1upc n ARG 99 Cb 0.49 -1.90 -0.09 0.00 -1.16 0.00 0.00 32.46 29.80 1upc n ARG 99 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1upc s SER 100 N -0.28 -0.38 -0.90 0.55 1.04 -1.04 -4.84 113.70 107.85 1upc s SER 100 Ca -0.02 0.55 -0.25 0.00 0.48 0.00 0.00 55.95 56.72 1upc s SER 100 Cb 0.00 0.62 0.04 0.00 0.10 0.00 0.00 66.02 66.78 1upc s SER 100 CO 0.16 -0.33 1.39 -2.16 0.98 0.00 0.00 173.24 173.28 1upc s PRO 101 N -0.57 3.40 -0.11 4.02 0.04 -1.26 -2.73 135.00 137.80 1upc s PRO 101 Ca -0.07 -0.73 0.01 0.00 0.04 0.00 0.00 61.00 60.26 1upc s PRO 101 Cb -0.03 -4.85 -0.01 0.00 0.04 0.00 0.00 34.50 29.64 1upc s PRO 101 CO 0.03 -2.20 -0.15 0.08 0.04 0.00 0.00 177.00 174.80 1upc s VAL 102 N 5.38 2.89 -0.48 -0.36 1.01 -1.23 -2.34 120.40 125.27 1upc s VAL 102 Ca 0.42 -0.73 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 1upc s VAL 102 Cb -0.04 -2.18 0.06 0.00 0.00 0.00 0.00 36.38 34.22 1upc s VAL 102 CO 0.01 0.54 0.48 -0.63 0.00 0.00 0.00 175.10 175.50 1upc s ILE 103 N 0.14 5.08 -0.20 2.22 -1.09 0.52 -0.72 121.20 127.14 1upc s ILE 103 Ca -0.08 -0.74 -0.12 0.00 -2.23 0.00 0.00 60.65 57.49 1upc s ILE 103 Cb -0.15 -4.17 -0.05 0.00 -1.58 0.00 0.00 42.46 36.51 1upc s ILE 103 CO 0.05 -0.63 0.21 0.00 -1.23 0.00 0.00 174.94 173.34 1upc s ALA 104 N 2.07 3.63 -0.06 9.38 0.00 0.35 -1.98 121.76 135.15 1upc s ALA 104 Ca 0.09 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.42 1upc s ALA 104 Cb -0.21 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1upc s ALA 104 CO 0.10 -0.02 -0.16 -0.51 0.00 0.00 0.00 175.76 175.17 1upc s LEU 105 N 0.71 1.85 0.01 0.00 1.43 -0.51 -1.79 118.68 120.38 1upc s LEU 105 Ca 0.11 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1upc s LEU 105 Cb -0.13 -0.96 -0.01 0.00 0.03 0.00 0.00 46.19 45.12 1upc s LEU 105 CO 0.03 0.12 -0.01 0.00 0.23 0.00 0.00 176.35 176.71 1upc s ALA 106 N 0.26 0.06 0.76 4.21 0.00 -0.78 -1.29 121.76 124.98 1upc s ALA 106 Ca -0.09 -0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.54 1upc s ALA 106 Cb -0.13 0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.08 1upc s ALA 106 CO 0.03 -0.05 1.08 0.00 0.00 0.00 0.00 175.76 176.82 1upc s ALA 107 N -0.53 2.38 0.20 0.00 0.00 -0.77 -0.70 121.76 122.35 1upc s ALA 107 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1upc s ALA 107 Cb -0.04 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 1upc s ALA 107 CO -0.00 -1.56 0.08 -1.14 0.00 0.00 0.00 175.76 173.13 1upc s GLN 108 N -5.09 1.20 0.80 0.00 2.00 -0.17 -3.09 119.66 115.31 1upc s GLN 108 Ca 0.60 -1.62 -0.14 0.00 -2.00 0.00 0.00 55.36 52.19 1upc s GLN 108 Cb -0.15 -0.03 0.03 0.00 0.80 0.00 0.00 33.01 33.67 1upc s GLN 108 CO 0.55 -0.28 0.81 0.43 -0.50 0.00 0.00 175.29 176.29 1upc n SER 109 N -0.30 -0.36 -4.66 6.67 7.64 -1.26 -1.39 113.62 119.97 1upc n SER 109 Ca -0.02 0.54 -0.42 0.00 1.01 0.00 0.00 58.87 59.98 1upc n SER 109 Cb 0.65 -1.35 -0.00 0.00 -1.01 0.00 0.00 64.21 62.50 1upc n SER 109 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1upc n GLU 110 N -2.02 1.77 -0.23 1.43 4.71 -1.26 -4.06 120.64 120.98 1upc n GLU 110 Ca 0.11 0.62 0.09 0.00 -0.01 0.00 0.00 57.16 57.97 1upc n GLU 110 Cb 0.51 -2.18 0.35 0.00 -1.01 0.00 0.00 31.44 29.11 1upc n GLU 110 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1upc h SER 111 N 2.13 0.68 1.13 1.62 4.64 -1.90 0.06 113.55 121.91 1upc h SER 111 Ca -0.45 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1upc h SER 111 Cb 1.31 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1upc h SER 111 CO 0.60 0.40 0.00 0.00 -0.87 0.00 0.00 176.83 176.97 1upc n HIS 112 N -4.51 0.75 -1.03 4.77 1.44 -1.26 -3.53 115.22 111.85 1upc n HIS 112 Ca 0.14 0.25 0.09 0.00 -2.01 0.00 0.00 57.72 56.19 1upc n HIS 112 Cb 0.33 -0.90 0.19 0.00 0.12 0.00 0.00 29.99 29.73 1upc n HIS 112 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1upc n ASP 113 N -2.14 2.99 -4.55 4.39 2.03 -0.01 -4.97 116.55 114.29 1upc n ASP 113 Ca 0.04 -3.05 -0.41 0.00 0.52 0.00 0.00 54.79 51.89 1upc n ASP 113 Cb 0.34 -0.48 -0.03 0.00 -0.72 0.00 0.00 41.12 40.24 1upc n ASP 113 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1upc s ILE 114 N -2.84 3.72 -0.47 5.18 1.01 -1.11 -4.76 121.20 121.93 1upc s ILE 114 Ca 0.36 0.43 0.03 0.00 0.00 0.00 0.00 60.65 61.47 1upc s ILE 114 Cb 0.30 -4.85 0.15 0.00 0.01 0.00 0.00 42.46 38.07 1upc s ILE 114 CO 0.05 -1.76 0.29 -0.36 0.00 0.00 0.00 174.94 173.16 1upc s PHE 115 N 5.88 2.03 0.21 3.97 0.08 -1.26 -5.04 117.98 123.85 1upc s PHE 115 Ca 0.38 -2.51 -0.32 0.00 0.12 0.00 0.00 56.93 54.60 1upc s PHE 115 Cb -0.08 -1.83 -0.14 0.00 -0.57 0.00 0.00 43.02 40.39 1upc s PHE 115 CO 0.16 -0.76 1.28 -2.30 -0.10 0.00 0.00 175.22 173.50 1upc n PRO 116 N 3.24 1.61 -0.96 0.24 -0.02 -1.26 -1.20 135.00 136.64 1upc n PRO 116 Ca 0.13 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1upc n PRO 116 Cb 0.37 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1upc n PRO 116 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1upc n ASN 117 N 2.04 -4.08 0.09 2.55 3.02 0.45 -4.76 115.26 114.57 1upc n ASN 117 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1upc n ASN 117 Cb 0.28 -2.08 0.00 0.00 -0.61 0.00 0.00 39.78 37.37 1upc n ASN 117 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1upc n ASP 118 N -0.49 0.56 -4.63 6.41 8.00 -0.34 -5.05 116.55 121.01 1upc n ASP 118 Ca 0.00 0.28 -0.42 0.00 0.71 0.00 0.00 54.79 55.36 1upc n ASP 118 Cb 0.24 -0.02 0.01 0.00 -0.02 0.00 0.00 41.12 41.33 1upc n ASP 118 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1upc n THR 119 N -3.46 2.38 -1.69 -3.53 -1.04 -0.48 -4.87 114.28 101.59 1upc n THR 119 Ca 0.00 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.08 1upc n THR 119 Cb 0.00 -1.24 -0.03 0.00 -1.82 0.00 0.00 70.33 67.24 1upc n THR 119 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1upc n HIS 120 N -0.30 2.56 -1.17 -1.42 -0.00 -1.26 -2.24 115.22 111.40 1upc n HIS 120 Ca 0.09 -0.12 -0.06 0.00 0.46 0.00 0.00 57.72 58.09 1upc n HIS 120 Cb 0.38 -2.72 -0.02 0.00 -0.12 0.00 0.00 29.99 27.51 1upc n HIS 120 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1upc n GLN 121 N 5.68 -1.03 -3.55 1.57 6.02 -1.26 -4.96 117.38 119.85 1upc n GLN 121 Ca 0.19 0.59 -0.41 0.00 -0.01 0.00 0.00 57.00 57.36 1upc n GLN 121 Cb 0.36 -4.54 -0.11 0.00 1.02 0.00 0.00 30.24 26.98 1upc n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1upc s LEU 123 N 1.65 2.91 -1.31 0.00 1.43 -1.26 -0.41 118.68 121.69 1upc s LEU 123 Ca 0.05 -0.83 -0.17 0.00 -1.03 0.00 0.00 54.13 52.15 1upc s LEU 123 Cb -0.18 -1.42 0.08 0.00 0.03 0.00 0.00 46.19 44.70 1upc s LEU 123 CO 0.09 0.02 1.77 -0.67 0.23 0.00 0.00 176.35 177.78 1upc n ASP 124 N -0.77 4.85 -0.26 2.29 -0.08 -1.26 -4.80 116.55 116.52 1upc n ASP 124 Ca -0.06 -2.92 -0.02 0.00 -1.51 0.00 0.00 54.79 50.29 1upc n ASP 124 Cb 0.59 -1.71 0.10 0.00 2.34 0.00 0.00 41.12 42.44 1upc n ASP 124 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1upc h SER 125 N 7.30 0.71 -0.75 1.67 0.02 -1.99 -1.53 113.55 118.98 1upc h SER 125 Ca 0.45 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.37 1upc h SER 125 Cb 0.84 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 1upc h SER 125 CO 1.49 0.47 0.30 0.58 -1.14 0.00 0.00 176.83 178.53 1upc h VAL 126 N 0.84 1.25 -0.07 2.27 2.07 -1.92 -1.75 116.25 118.94 1upc h VAL 126 Ca 0.32 -0.80 -0.15 0.00 0.82 0.00 0.00 66.70 66.88 1upc h VAL 126 Cb 0.12 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1upc h VAL 126 CO -0.15 0.33 -0.63 0.00 0.02 0.00 0.00 177.57 177.14 1upc h ALA 127 N 1.22 0.80 -0.32 1.67 0.00 -1.72 -0.87 119.26 120.04 1upc h ALA 127 Ca 0.25 -0.56 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 1upc h ALA 127 Cb 0.21 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1upc h ALA 127 CO -0.02 0.74 -0.45 0.82 0.00 0.00 0.00 179.25 180.34 1upc h ILE 128 N 0.20 1.28 0.00 0.00 2.04 -1.04 -3.34 117.51 116.65 1upc h ILE 128 Ca -0.01 -1.64 -0.06 0.00 1.00 0.00 0.00 64.86 64.15 1upc h ILE 128 Cb 1.15 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 1upc h ILE 128 CO 0.10 0.54 -1.65 0.52 0.00 0.00 0.00 178.15 177.66 1upc n VAL 129 N -4.03 0.52 -0.28 1.67 0.31 -0.68 -4.41 118.33 111.43 1upc n VAL 129 Ca -0.03 -0.58 0.06 0.00 -0.01 0.00 0.00 64.34 63.78 1upc n VAL 129 Cb 0.57 -0.27 0.20 0.00 -0.91 0.00 0.00 33.84 33.44 1upc n VAL 129 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1upc h ALA 130 N 1.81 1.20 0.00 3.52 0.00 -1.27 -1.41 119.26 123.11 1upc h ALA 130 Ca -0.08 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1upc h ALA 130 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1upc h ALA 130 CO 0.01 -0.09 0.00 -2.30 0.00 0.00 0.00 179.25 176.87 1upc n PRO 131 N -4.88 0.18 -0.55 0.00 -0.02 -1.26 -3.02 135.00 125.46 1upc n PRO 131 Ca 0.16 0.39 0.04 0.00 -2.02 0.00 0.00 63.50 62.07 1upc n PRO 131 Cb 0.40 -1.83 0.20 0.00 -0.02 0.00 0.00 33.50 32.24 1upc n PRO 131 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1upc n MET 132 N -2.18 1.68 -3.94 -0.52 0.00 -0.54 -5.05 117.12 106.58 1upc n MET 132 Ca 0.03 -3.12 -0.10 0.00 0.00 0.00 0.00 57.70 54.51 1upc n MET 132 Cb 0.24 -1.66 -0.06 0.00 0.00 0.00 0.00 33.22 31.73 1upc n MET 132 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1upc s SER 133 N -2.91 -0.03 0.24 3.17 1.04 -1.13 -4.60 113.70 109.47 1upc s SER 133 Ca 0.39 -0.83 0.13 0.00 0.48 0.00 0.00 55.95 56.12 1upc s SER 133 Cb 0.36 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.96 1upc s SER 133 CO -0.02 -0.97 1.39 0.11 0.98 0.00 0.00 173.24 174.73 1upc h LYS 134 N 2.43 0.00 -1.84 4.02 1.79 -1.05 -3.47 116.57 118.45 1upc h LYS 134 Ca -0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1upc h LYS 134 Cb 1.24 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.66 1upc h LYS 134 CO 0.44 0.61 0.25 -0.47 -1.08 0.00 0.00 179.45 179.21 1upc s TYR 135 N -2.90 -0.68 -0.23 -1.35 5.04 -1.25 -4.95 117.35 111.02 1upc s TYR 135 Ca 0.03 1.63 -0.10 0.00 -2.44 0.00 0.00 57.07 56.20 1upc s TYR 135 Cb 0.08 0.32 0.09 0.00 0.35 0.00 0.00 41.96 42.81 1upc s TYR 135 CO 0.76 -0.33 0.53 0.00 -1.34 0.00 0.00 175.55 175.17 1upc s ALA 136 N 0.40 -1.50 0.04 3.97 0.00 -1.25 -0.63 121.76 122.79 1upc s ALA 136 Ca 0.01 1.89 -0.14 0.00 0.00 0.00 0.00 51.96 53.72 1upc s ALA 136 Cb -0.05 -1.39 0.02 0.00 0.00 0.00 0.00 23.12 21.70 1upc s ALA 136 CO -0.03 -0.65 0.32 0.54 0.00 0.00 0.00 175.76 175.94 1upc s VAL 137 N 2.30 0.08 -0.12 0.00 0.11 -0.66 -4.99 120.40 117.11 1upc s VAL 137 Ca -0.06 -0.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 1upc s VAL 137 Cb -0.10 -0.90 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1upc s VAL 137 CO -0.16 -0.35 -0.14 -0.70 -3.33 0.00 0.00 175.10 170.42 1upc s GLU 138 N -2.38 3.31 0.29 1.54 2.12 -1.26 -1.01 118.70 121.32 1upc s GLU 138 Ca -0.06 -0.71 -0.29 0.00 0.36 0.00 0.00 54.97 54.27 1upc s GLU 138 Cb -0.01 -2.58 -0.10 0.00 0.26 0.00 0.00 34.13 31.69 1upc s GLU 138 CO -0.02 0.23 1.28 -1.17 -0.54 0.00 0.00 175.26 175.04 1upc s LEU 139 N 0.30 4.44 0.00 2.70 2.96 -0.38 -4.93 118.68 123.77 1upc s LEU 139 Ca -0.11 2.57 0.00 0.00 -0.22 0.00 0.00 54.13 56.37 1upc s LEU 139 Cb -0.16 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.89 1upc s LEU 139 CO 0.06 -0.48 0.00 0.00 -1.32 0.00 0.00 176.35 174.61 1upc n GLN 140 N 1.32 2.04 -3.91 1.98 6.02 -1.26 -4.64 117.38 118.93 1upc n GLN 140 Ca 0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.73 1upc n GLN 140 Cb 0.42 -0.80 -0.17 0.00 1.02 0.00 0.00 30.24 30.72 1upc n GLN 140 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1upc s ARG 141 N -1.60 1.56 0.27 -1.09 0.52 -1.26 -5.07 118.95 112.28 1upc s ARG 141 Ca 0.00 -0.37 -0.03 0.00 -0.52 0.00 0.00 55.73 54.81 1upc s ARG 141 Cb 0.00 -1.78 0.57 0.00 0.52 0.00 0.00 34.95 34.26 1upc s ARG 141 CO 0.00 -0.32 1.63 -1.35 0.02 0.00 0.00 175.30 175.28 1upc h PRO 142 N 8.15 0.12 0.00 3.54 0.11 -1.84 -1.20 132.00 140.88 1upc h PRO 142 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1upc h PRO 142 Cb 1.12 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1upc h PRO 142 CO 0.42 0.08 0.00 1.12 -0.21 0.00 0.00 178.00 179.40 1upc h HIS 143 N 0.12 0.00 0.00 0.65 2.07 -1.84 -2.67 115.15 113.48 1upc h HIS 143 Ca 0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.01 1upc h HIS 143 Cb 0.92 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.90 1upc h HIS 143 CO -0.39 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 174.86 1upc n GLU 144 N -3.04 0.06 0.25 5.12 1.02 -0.45 -3.67 120.64 119.94 1upc n GLU 144 Ca -0.00 0.26 0.08 0.00 -0.02 0.00 0.00 57.16 57.47 1upc n GLU 144 Cb 0.24 -1.50 0.62 0.00 -0.02 0.00 0.00 31.44 30.78 1upc n GLU 144 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1upc h ILE 145 N 0.00 1.01 -0.01 -3.67 6.09 -1.64 -1.35 117.51 117.94 1upc h ILE 145 Ca 0.00 -0.11 -0.00 0.00 -1.37 0.00 0.00 64.86 63.38 1upc h ILE 145 Cb 0.16 1.06 -0.00 0.00 0.47 0.00 0.00 36.82 38.51 1upc h ILE 145 CO 0.00 0.03 0.00 0.74 -3.07 0.00 0.00 178.15 175.85 1upc h THR 146 N 0.00 1.11 0.00 2.19 2.02 -1.84 -1.25 112.91 115.13 1upc h THR 146 Ca -0.00 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 1upc h THR 146 Cb 0.06 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1upc h THR 146 CO 0.00 0.08 -0.27 -2.24 0.37 0.00 0.00 175.52 173.46 1upc h ASP 147 N -0.12 0.00 -0.17 4.18 3.04 -1.55 -2.41 116.42 119.39 1upc h ASP 147 Ca 0.00 0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 53.63 1upc h ASP 147 Cb 0.13 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.43 1upc h ASP 147 CO -0.00 0.27 -0.52 -0.07 -2.04 0.00 0.00 179.24 176.89 1upc h LEU 148 N 0.00 0.76 -0.73 0.15 3.38 -1.12 -1.55 115.31 116.20 1upc h LEU 148 Ca -0.00 -0.59 0.06 0.00 0.09 0.00 0.00 57.88 57.43 1upc h LEU 148 Cb 0.70 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 1upc h LEU 148 CO 0.04 1.21 0.43 0.58 0.09 0.00 0.00 178.44 180.79 1upc h VAL 149 N 0.34 1.01 -0.53 1.22 2.07 -1.03 -0.87 116.25 118.46 1upc h VAL 149 Ca -0.02 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 1upc h VAL 149 Cb 1.14 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1upc h VAL 149 CO 0.11 0.15 0.17 0.44 0.02 0.00 0.00 177.57 178.46 1upc h ASP 150 N 0.80 0.76 -0.25 0.57 3.32 -1.36 -0.52 116.42 119.73 1upc h ASP 150 Ca 0.32 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 1upc h ASP 150 Cb 0.16 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1upc h ASP 150 CO -0.17 0.76 -0.08 0.28 -1.72 0.00 0.00 179.24 178.32 1upc h SER 151 N 0.72 0.61 -0.19 6.45 0.02 -1.05 -0.70 113.55 119.40 1upc h SER 151 Ca 0.17 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1upc h SER 151 Cb 0.26 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1upc h SER 151 CO -0.01 0.73 0.00 0.00 -1.14 0.00 0.00 176.83 176.42 1upc h ALA 152 N 1.34 0.26 -0.41 3.77 0.00 -0.71 -1.81 119.26 121.70 1upc h ALA 152 Ca 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1upc h ALA 152 Cb 0.48 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1upc h ALA 152 CO 0.03 -0.03 0.22 0.28 0.00 0.00 0.00 179.25 179.75 1upc h VAL 153 N 0.10 1.15 -0.56 0.00 2.07 -0.97 -1.37 116.25 116.67 1upc h VAL 153 Ca 0.06 -0.39 0.11 0.00 0.82 0.00 0.00 66.70 67.29 1upc h VAL 153 Cb 0.38 0.67 -0.09 0.00 -1.52 0.00 0.00 31.29 30.73 1upc h VAL 153 CO 0.01 0.16 0.03 0.78 0.02 0.00 0.00 177.57 178.57 1upc h ASN 154 N 0.53 -0.18 0.54 0.57 2.35 -0.97 -0.62 115.58 117.80 1upc h ASN 154 Ca 0.14 0.13 -0.20 0.00 -0.55 0.00 0.00 56.30 55.82 1upc h ASN 154 Cb 0.05 0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1upc h ASN 154 CO -0.02 -0.07 -0.88 0.00 -1.65 0.00 0.00 177.43 174.81 1upc h ALA 155 N 1.49 0.50 -0.17 -0.83 0.00 -1.20 -3.01 119.26 116.05 1upc h ALA 155 Ca 0.29 -0.72 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 1upc h ALA 155 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1upc h ALA 155 CO -0.45 0.90 -0.45 0.00 0.00 0.00 0.00 179.25 179.25 1upc h ALA 156 N 0.94 0.92 -0.57 0.00 0.00 -0.98 -3.07 119.26 116.50 1upc h ALA 156 Ca -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1upc h ALA 156 Cb 1.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1upc h ALA 156 CO 0.14 0.64 0.00 -1.33 0.00 0.00 0.00 179.25 178.70 1upc n MET 157 N -4.00 2.76 -3.61 0.00 2.00 -0.26 -2.62 117.12 111.38 1upc n MET 157 Ca -0.02 -2.24 -0.37 0.00 0.00 0.00 0.00 57.70 55.07 1upc n MET 157 Cb 0.53 -1.60 -0.07 0.00 0.00 0.00 0.00 33.22 32.08 1upc n MET 157 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1upc s THR 158 N -1.45 5.29 0.34 2.03 2.01 -1.14 -0.52 115.64 122.19 1upc s THR 158 Ca 0.41 0.53 -0.28 0.00 0.31 0.00 0.00 61.69 62.66 1upc s THR 158 Cb 0.24 -3.59 -0.10 0.00 0.01 0.00 0.00 72.50 69.06 1upc s THR 158 CO 0.24 0.49 1.23 -1.61 -0.69 0.00 0.00 174.62 174.28 1upc s GLU 159 N -0.28 4.34 -0.02 4.92 0.41 -0.08 -2.42 118.70 125.58 1upc s GLU 159 Ca 0.18 2.04 -0.30 0.00 -0.41 0.00 0.00 54.97 56.47 1upc s GLU 159 Cb -0.14 -3.00 -0.04 0.00 -1.78 0.00 0.00 34.13 29.17 1upc s GLU 159 CO 0.06 -0.13 1.27 -1.25 -0.49 0.00 0.00 175.26 174.72 1upc s PRO 160 N -1.84 4.34 0.60 0.39 0.05 -1.26 -4.85 135.00 132.43 1upc s PRO 160 Ca 0.50 1.79 -0.20 0.00 0.05 0.00 0.00 61.00 63.14 1upc s PRO 160 Cb -0.36 -3.53 -0.03 0.00 0.05 0.00 0.00 34.50 30.63 1upc s PRO 160 CO 0.47 -0.46 1.31 0.14 0.05 0.00 0.00 177.00 178.50 1upc s VAL 161 N 2.10 2.12 0.00 -0.36 -7.23 -1.01 -4.97 120.40 111.05 1upc s VAL 161 Ca 0.59 0.08 -0.09 0.00 -1.81 0.00 0.00 61.98 60.75 1upc s VAL 161 Cb -0.28 -3.04 0.03 0.00 0.56 0.00 0.00 36.38 33.66 1upc s VAL 161 CO 0.25 -0.01 0.41 0.61 -0.31 0.00 0.00 175.10 176.04 1upc n GLY 162 N 0.79 0.58 3.80 2.32 0.00 -1.08 -3.19 105.19 108.41 1upc n GLY 162 Ca 0.13 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 1upc n GLY 162 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1upc s PRO 163 N -2.01 4.42 0.04 1.61 0.04 -1.20 -3.53 135.00 134.37 1upc s PRO 163 Ca 0.10 1.11 0.09 0.00 0.04 0.00 0.00 61.00 62.34 1upc s PRO 163 Cb -0.00 -2.82 -0.03 0.00 0.04 0.00 0.00 34.50 31.69 1upc s PRO 163 CO 0.00 0.32 -0.26 -1.12 0.04 0.00 0.00 177.00 175.98 1upc s SER 164 N -1.65 3.12 -0.06 6.66 0.01 0.10 -0.45 113.70 121.42 1upc s SER 164 Ca 0.47 -0.57 0.03 0.00 1.31 0.00 0.00 55.95 57.19 1upc s SER 164 Cb -0.17 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.77 1upc s SER 164 CO 0.22 0.26 -0.16 0.12 0.41 0.00 0.00 173.24 174.09 1upc s PHE 165 N -0.78 1.72 -0.14 2.43 5.36 0.20 -0.49 117.98 126.28 1upc s PHE 165 Ca 0.11 -0.60 0.00 0.00 -0.96 0.00 0.00 56.93 55.49 1upc s PHE 165 Cb -0.10 -1.20 0.02 0.00 -0.34 0.00 0.00 43.02 41.41 1upc s PHE 165 CO 0.02 -0.25 -0.12 0.42 -1.46 0.00 0.00 175.22 173.83 1upc s ILE 166 N 0.36 1.37 -0.05 3.12 1.01 -0.74 -1.66 121.20 124.62 1upc s ILE 166 Ca -0.11 -0.52 -0.22 0.00 0.00 0.00 0.00 60.65 59.80 1upc s ILE 166 Cb -0.14 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 1upc s ILE 166 CO 0.04 0.41 0.64 -0.55 0.00 0.00 0.00 174.94 175.48 1upc s SER 167 N 1.57 6.95 -0.45 3.58 0.15 -0.18 -1.87 113.70 123.45 1upc s SER 167 Ca 0.05 1.14 0.02 0.00 0.70 0.00 0.00 55.95 57.86 1upc s SER 167 Cb -0.13 -2.38 0.13 0.00 -1.71 0.00 0.00 66.02 61.93 1upc s SER 167 CO -0.10 -0.03 0.24 -0.76 1.20 0.00 0.00 173.24 173.79 1upc s LEU 168 N 0.44 2.99 0.22 3.45 1.43 0.12 -1.25 118.68 126.09 1upc s LEU 168 Ca 0.34 -2.67 -0.32 0.00 -1.03 0.00 0.00 54.13 50.46 1upc s LEU 168 Cb -0.18 -1.15 -0.14 0.00 0.03 0.00 0.00 46.19 44.76 1upc s LEU 168 CO 0.17 -0.26 1.29 -2.65 0.23 0.00 0.00 176.35 175.13 1upc n PRO 169 N 3.50 1.67 -0.30 1.29 -0.02 -1.26 -1.00 135.00 138.88 1upc n PRO 169 Ca 0.08 0.59 -0.02 0.00 -2.02 0.00 0.00 63.50 62.13 1upc n PRO 169 Cb 0.34 -2.17 0.10 0.00 -0.02 0.00 0.00 33.50 31.75 1upc n PRO 169 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1upc h VAL 170 N 2.83 1.14 -0.75 -1.45 2.07 -1.37 -1.34 116.25 117.39 1upc h VAL 170 Ca -0.44 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 1upc h VAL 170 Cb 1.30 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1upc h VAL 170 CO 0.72 0.19 0.37 -2.24 0.02 0.00 0.00 177.57 176.63 1upc h ASP 171 N 1.05 0.97 0.79 0.57 2.03 -1.88 -2.45 116.42 117.51 1upc h ASP 171 Ca 0.33 -0.13 -0.20 0.00 -0.73 0.00 0.00 57.03 56.30 1upc h ASP 171 Cb -0.01 -0.25 -0.02 0.00 -0.83 0.00 0.00 39.33 38.22 1upc h ASP 171 CO -0.11 0.83 -0.92 -0.07 -1.03 0.00 0.00 179.24 177.94 1upc h LEU 172 N 1.05 0.10 -1.41 0.15 3.38 -1.75 -2.85 115.31 113.99 1upc h LEU 172 Ca 0.26 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1upc h LEU 172 Cb 0.11 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1upc h LEU 172 CO -0.03 0.96 0.07 0.25 0.09 0.00 0.00 178.44 179.78 1upc h LEU 173 N 0.03 0.43 -1.76 1.67 5.85 -1.20 -2.84 115.31 117.49 1upc h LEU 173 Ca -0.03 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1upc h LEU 173 Cb 1.59 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.51 1upc h LEU 173 CO 0.13 0.44 0.00 0.61 -0.34 0.00 0.00 178.44 179.28 1upc n GLY 174 N -1.10 1.19 3.89 3.75 0.00 -0.93 -1.79 105.19 110.19 1upc n GLY 174 Ca 0.02 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 1upc n GLY 174 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1upc s SER 175 N -1.19 6.21 0.00 1.61 0.15 -1.07 -4.82 113.70 114.59 1upc s SER 175 Ca 0.34 0.24 0.12 0.00 0.70 0.00 0.00 55.95 57.35 1upc s SER 175 Cb 0.18 -1.88 0.21 0.00 -1.71 0.00 0.00 66.02 62.82 1upc s SER 175 CO 0.25 0.19 1.08 -1.54 1.20 0.00 0.00 173.24 174.41 1upc n SER 176 N 0.45 2.51 -4.67 5.45 3.41 -1.26 -1.16 113.62 118.35 1upc n SER 176 Ca -0.07 -1.74 -0.47 0.00 -0.26 0.00 0.00 58.87 56.33 1upc n SER 176 Cb 0.51 -0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 1upc n SER 176 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1upc n GLU 177 N 0.68 2.12 -0.92 4.33 2.13 -1.26 -2.31 120.64 125.40 1upc n GLU 177 Ca 0.10 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.69 1upc n GLU 177 Cb 0.38 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.54 1upc n GLU 177 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1upc n GLY 178 N 3.63 1.11 3.52 8.31 0.00 -1.26 -3.86 105.19 116.64 1upc n GLY 178 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1upc n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1upc s ILE 179 N -3.86 4.84 -0.06 -0.61 1.01 -0.98 -4.71 121.20 116.83 1upc s ILE 179 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.71 1upc s ILE 179 Cb 0.00 -3.29 -0.00 0.00 0.01 0.00 0.00 42.46 39.18 1upc s ILE 179 CO 0.00 0.29 -0.21 -1.81 0.00 0.00 0.00 174.94 173.21 1upc s ASP 180 N 1.69 2.65 -1.27 3.58 -0.00 -1.26 -5.04 116.67 117.02 1upc s ASP 180 Ca 0.07 -0.45 -0.12 0.00 -0.00 0.00 0.00 52.55 52.05 1upc s ASP 180 Cb -0.16 -0.88 0.15 0.00 -0.00 0.00 0.00 42.92 42.04 1upc s ASP 180 CO 0.07 0.18 1.74 0.41 -0.00 0.00 0.00 175.17 177.57 1upc n THR 181 N 3.21 4.23 -3.53 -1.27 -1.04 -1.26 -5.01 114.28 109.61 1upc n THR 181 Ca -0.18 -4.40 -0.25 0.00 -2.04 0.00 0.00 64.05 57.17 1upc n THR 181 Cb 0.52 -2.41 -0.14 0.00 -1.82 0.00 0.00 70.33 66.48 1upc n THR 181 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1upc s PRO 184 N 1.24 0.19 0.14 -2.82 0.04 -1.26 -5.29 135.00 127.23 1upc s PRO 184 Ca 0.42 -0.30 -0.30 0.00 0.04 0.00 0.00 61.00 60.86 1upc s PRO 184 Cb 0.05 -1.22 -0.07 0.00 0.04 0.00 0.00 34.50 33.31 1upc s PRO 184 CO 0.00 -0.91 1.02 -0.80 0.04 0.00 0.00 177.00 176.35 1upc s ASN 185 N 2.17 7.41 0.66 6.66 -0.87 -1.26 -5.03 114.94 124.68 1upc s ASN 185 Ca 0.07 1.91 -0.15 0.00 -1.57 0.00 0.00 52.86 53.13 1upc s ASN 185 Cb -0.16 -2.59 0.00 0.00 -0.02 0.00 0.00 41.25 38.48 1upc s ASN 185 CO -0.28 -0.13 1.11 -2.16 -2.57 0.00 0.00 177.10 173.07 1upc s PRO 186 N -0.13 2.78 0.66 -0.60 0.04 -1.26 -4.97 135.00 131.52 1upc s PRO 186 Ca 0.48 1.38 -0.17 0.00 0.04 0.00 0.00 61.00 62.73 1upc s PRO 186 Cb -0.26 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 1upc s PRO 186 CO 0.32 -1.26 1.07 -2.30 0.04 0.00 0.00 177.00 174.86 1upc n PRO 187 N -2.46 0.81 0.09 0.56 -0.02 -1.26 -4.96 135.00 127.77 1upc n PRO 187 Ca 0.10 0.33 -0.20 0.00 -2.02 0.00 0.00 63.50 61.71 1upc n PRO 187 Cb 0.52 -2.30 -0.15 0.00 -0.02 0.00 0.00 33.50 31.55 1upc n PRO 187 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1upc h ALA 188 N 0.22 0.11 -6.48 3.55 0.00 -1.93 -3.48 119.26 111.24 1upc h ALA 188 Ca -0.49 -1.03 -0.50 0.00 0.00 0.00 0.00 54.91 52.89 1upc h ALA 188 Cb 1.35 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 19.32 1upc h ALA 188 CO 0.50 0.98 -0.84 0.09 0.00 0.00 0.00 179.25 179.98 1upc n ASN 189 N -3.57 -2.24 -4.67 0.00 3.02 -1.26 -4.89 115.26 101.65 1upc n ASN 189 Ca -0.18 -0.94 -0.42 0.00 -0.03 0.00 0.00 54.58 53.01 1upc n ASN 189 Cb 1.07 -3.26 -0.03 0.00 -0.61 0.00 0.00 39.78 36.95 1upc n ASN 189 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1upc s THR 190 N -3.59 3.03 0.31 3.41 2.01 -1.26 -4.94 115.64 114.61 1upc s THR 190 Ca 0.36 0.26 -0.29 0.00 0.31 0.00 0.00 61.69 62.33 1upc s THR 190 Cb -0.19 -3.17 -0.11 0.00 0.01 0.00 0.00 72.50 69.04 1upc s THR 190 CO 0.88 -0.01 1.50 -2.84 -0.69 0.00 0.00 174.62 173.46 1upc s PRO 191 N 3.62 4.18 0.30 4.92 0.02 -1.26 -4.89 135.00 141.89 1upc s PRO 191 Ca 0.81 2.48 0.15 0.00 0.02 0.00 0.00 61.00 64.46 1upc s PRO 191 Cb -0.41 -3.03 0.33 0.00 0.02 0.00 0.00 34.50 31.41 1upc s PRO 191 CO 0.36 -0.51 1.57 0.00 -0.33 0.00 0.00 177.00 178.08 1upc h ALA 192 N 4.28 0.80 -2.41 -1.55 0.00 -1.93 -3.45 119.26 114.99 1upc h ALA 192 Ca -0.48 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 53.86 1upc h ALA 192 Cb 1.22 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.79 1upc h ALA 192 CO 0.74 0.64 -0.49 -1.59 0.00 0.00 0.00 179.25 178.54 1upc s LYS 193 N -3.26 0.74 0.41 0.00 -2.85 -1.26 -4.95 119.74 108.56 1upc s LYS 193 Ca 0.01 -1.05 -0.25 0.00 -1.00 0.00 0.00 55.97 53.69 1upc s LYS 193 Cb 0.10 0.29 -0.11 0.00 -2.06 0.00 0.00 37.83 36.05 1upc s LYS 193 CO 0.73 -0.20 1.03 -2.30 0.10 0.00 0.00 175.35 174.71 1upc n PRO 194 N 0.05 1.41 -2.39 1.78 -0.02 -1.26 -4.97 135.00 129.59 1upc n PRO 194 Ca -0.15 0.50 -0.39 0.00 -2.02 0.00 0.00 63.50 61.45 1upc n PRO 194 Cb 0.62 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 32.01 1upc n PRO 194 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1upc s VAL 195 N -1.25 3.34 0.31 -1.45 1.01 0.32 -4.92 120.40 117.77 1upc s VAL 195 Ca 0.62 1.18 0.03 0.00 0.00 0.00 0.00 61.98 63.81 1upc s VAL 195 Cb -0.57 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1upc s VAL 195 CO 0.57 0.15 0.14 -0.83 0.00 0.00 0.00 175.10 175.13 1upc s GLY 196 N -1.12 2.09 0.12 4.51 0.00 -1.26 -0.90 107.32 110.76 1upc s GLY 196 Ca 0.53 -1.73 0.01 0.00 0.00 0.00 0.00 44.72 43.54 1upc s GLY 196 CO 0.38 -1.64 0.27 -1.34 0.00 0.00 0.00 173.10 170.77 1upc s VAL 197 N -3.55 5.34 -0.06 1.40 -7.23 -0.37 -4.97 120.40 110.96 1upc s VAL 197 Ca 0.34 -0.54 -0.00 0.00 -1.81 0.00 0.00 61.98 59.97 1upc s VAL 197 Cb 0.05 -3.70 0.03 0.00 0.56 0.00 0.00 36.38 33.32 1upc s VAL 197 CO 0.16 -0.01 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.24 1upc s VAL 198 N -1.67 0.38 0.21 1.32 1.01 -1.26 -3.55 120.40 116.84 1upc s VAL 198 Ca 0.35 0.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.15 1upc s VAL 198 Cb -0.12 -0.50 -0.08 0.00 0.00 0.00 0.00 36.38 35.68 1upc s VAL 198 CO 0.28 0.23 0.79 0.00 0.00 0.00 0.00 175.10 176.40 1upc s ALA 199 N 1.54 3.40 0.24 5.51 0.00 -0.11 -4.98 121.76 127.36 1upc s ALA 199 Ca -0.02 0.33 -0.31 0.00 0.00 0.00 0.00 51.96 51.96 1upc s ALA 199 Cb -0.13 -2.95 -0.13 0.00 0.00 0.00 0.00 23.12 19.91 1upc s ALA 199 CO -0.03 0.29 1.52 -3.47 0.00 0.00 0.00 175.76 174.07 1upc n ASP 200 N 1.19 3.29 -0.72 0.00 2.03 -1.26 -2.39 116.55 118.69 1upc n ASP 200 Ca -0.04 1.13 -0.09 0.00 0.52 0.00 0.00 54.79 56.32 1upc n ASP 200 Cb 0.50 -1.50 -0.03 0.00 -0.72 0.00 0.00 41.12 39.37 1upc n ASP 200 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1upc n GLY 201 N 2.50 0.87 0.28 0.27 0.00 -1.26 -4.92 105.19 102.93 1upc n GLY 201 Ca 0.12 -0.63 0.13 0.00 0.00 0.00 0.00 46.02 45.64 1upc n GLY 201 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1upc h TRP 202 N 0.00 0.00 -0.09 1.61 5.08 -1.79 -2.67 115.95 118.09 1upc h TRP 202 Ca -0.18 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.77 1upc h TRP 202 Cb 0.67 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.82 1upc h TRP 202 CO 0.24 0.05 -0.03 1.96 -1.28 0.00 0.00 178.44 179.38 1upc h GLN 203 N 0.00 0.18 -0.72 0.12 7.50 -1.91 0.14 115.11 120.42 1upc h GLN 203 Ca -0.00 -0.07 0.06 0.00 0.50 0.00 0.00 58.65 59.14 1upc h GLN 203 Cb 0.13 -0.01 -0.06 0.00 0.05 0.00 0.00 27.48 27.59 1upc h GLN 203 CO 0.01 0.51 0.42 -0.22 -1.50 0.00 0.00 178.83 178.04 1upc h LYS 204 N -0.15 0.74 -0.54 1.46 3.64 -1.93 0.14 116.57 119.93 1upc h LYS 204 Ca 0.02 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1upc h LYS 204 Cb 0.44 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1upc h LYS 204 CO 0.01 0.49 0.23 0.00 -2.27 0.00 0.00 179.45 177.91 1upc h ALA 205 N 1.36 0.70 -0.25 5.00 0.00 -1.25 -1.33 119.26 123.50 1upc h ALA 205 Ca 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1upc h ALA 205 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1upc h ALA 205 CO -0.18 0.30 0.08 0.00 0.00 0.00 0.00 179.25 179.46 1upc h ALA 206 N 1.07 1.68 -0.42 0.00 0.00 -0.12 -1.59 119.26 119.89 1upc h ALA 206 Ca 0.18 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1upc h ALA 206 Cb 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1upc h ALA 206 CO -0.02 0.25 -0.28 -0.44 0.00 0.00 0.00 179.25 178.76 1upc h ASP 207 N 0.35 0.94 0.03 0.00 3.32 -0.03 -1.30 116.42 119.72 1upc h ASP 207 Ca 0.09 -0.38 -0.08 0.00 0.02 0.00 0.00 57.03 56.68 1upc h ASP 207 Cb 0.10 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1upc h ASP 207 CO -0.01 1.15 -0.22 1.56 -1.72 0.00 0.00 179.24 180.01 1upc h GLN 208 N 0.77 0.33 -0.36 3.56 4.20 -0.49 -0.68 115.11 122.44 1upc h GLN 208 Ca 0.09 -0.11 -0.15 0.00 0.06 0.00 0.00 58.65 58.54 1upc h GLN 208 Cb 0.85 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1upc h GLN 208 CO 0.07 0.54 -0.37 0.00 -0.67 0.00 0.00 178.83 178.40 1upc h ALA 209 N 1.48 0.65 -0.74 3.87 0.00 -1.07 -2.04 119.26 121.41 1upc h ALA 209 Ca 0.05 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1upc h ALA 209 Cb 0.55 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1upc h ALA 209 CO 0.04 0.67 0.46 0.00 0.00 0.00 0.00 179.25 180.42 1upc h ALA 210 N 0.86 0.99 -0.90 0.00 0.00 -0.57 -0.14 119.26 119.51 1upc h ALA 210 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1upc h ALA 210 Cb 0.95 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1upc h ALA 210 CO 0.09 0.22 0.52 0.00 0.00 0.00 0.00 179.25 180.08 1upc h ALA 211 N 1.33 1.22 -0.47 0.00 0.00 -0.84 -1.93 119.26 118.57 1upc h ALA 211 Ca 0.31 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1upc h ALA 211 Cb 0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1upc h ALA 211 CO -0.13 0.65 -0.20 -0.07 0.00 0.00 0.00 179.25 179.49 1upc h LEU 212 N 1.24 0.97 -0.91 0.00 3.38 -0.82 -2.81 115.31 116.38 1upc h LEU 212 Ca 0.32 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1upc h LEU 212 Cb -0.02 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.41 1upc h LEU 212 CO -0.06 1.14 0.58 0.25 0.09 0.00 0.00 178.44 180.45 1upc h LEU 213 N 0.83 0.96 -0.55 1.67 5.85 -0.54 -2.17 115.31 121.35 1upc h LEU 213 Ca 0.11 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1upc h LEU 213 Cb 0.77 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1upc h LEU 213 CO 0.06 0.65 0.30 0.00 -0.34 0.00 0.00 178.44 179.11 1upc h ALA 214 N 1.38 0.71 0.00 1.25 0.00 -1.25 -2.90 119.26 118.46 1upc h ALA 214 Ca 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1upc h ALA 214 Cb 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1upc h ALA 214 CO -0.13 0.24 0.00 -0.85 0.00 0.00 0.00 179.25 178.51 1upc n GLU 215 N -4.60 0.13 -3.41 0.00 -0.00 -1.07 -4.88 120.64 106.82 1upc n GLU 215 Ca 0.03 0.19 -0.37 0.00 -0.00 0.00 0.00 57.16 57.01 1upc n GLU 215 Cb 0.09 -1.68 -0.06 0.00 -0.00 0.00 0.00 31.44 29.79 1upc n GLU 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1upc s ALA 216 N -3.10 3.64 -0.03 -1.84 0.00 -0.84 -5.01 121.76 114.58 1upc s ALA 216 Ca 0.10 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 51.93 1upc s ALA 216 Cb 0.13 -2.48 -0.25 0.00 0.00 0.00 0.00 23.12 20.52 1upc s ALA 216 CO 0.49 0.46 0.70 0.87 0.00 0.00 0.00 175.76 178.29 1upc h LYS 217 N 4.20 0.15 -2.38 0.00 6.56 -1.89 -3.44 116.57 119.77 1upc h LYS 217 Ca -0.50 -0.26 -0.59 0.00 -1.06 0.00 0.00 60.65 58.24 1upc h LYS 217 Cb 1.21 0.10 -0.39 0.00 -0.57 0.00 0.00 32.23 32.58 1upc h LYS 217 CO 0.64 0.92 -0.93 0.72 -2.06 0.00 0.00 179.45 178.74 1upc n HIS 218 N -3.32 -0.00 -2.19 -1.35 -0.00 -1.26 -4.22 115.22 102.88 1upc n HIS 218 Ca -0.19 -3.54 -0.32 0.00 -0.00 0.00 0.00 57.72 53.67 1upc n HIS 218 Cb 1.04 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.99 30.99 1upc n HIS 218 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1upc s PRO 219 N -0.55 3.74 0.04 -0.41 0.04 -1.26 -2.07 135.00 134.53 1upc s PRO 219 Ca 0.33 0.94 0.03 0.00 0.04 0.00 0.00 61.00 62.34 1upc s PRO 219 Cb 0.06 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1upc s PRO 219 CO -0.17 -0.45 -0.10 0.14 0.04 0.00 0.00 177.00 176.47 1upc s VAL 220 N -2.74 0.71 -0.35 -0.36 -7.23 -0.49 -4.22 120.40 105.72 1upc s VAL 220 Ca 0.59 -1.03 -0.15 0.00 -1.81 0.00 0.00 61.98 59.58 1upc s VAL 220 Cb -0.11 -0.72 -0.01 0.00 0.56 0.00 0.00 36.38 36.09 1upc s VAL 220 CO 0.38 -0.25 0.35 -0.76 -0.31 0.00 0.00 175.10 174.51 1upc s LEU 221 N -1.41 4.48 -0.35 1.32 1.43 -0.66 -1.42 118.68 122.07 1upc s LEU 221 Ca -0.06 -0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 52.61 1upc s LEU 221 Cb -0.09 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 1upc s LEU 221 CO 0.01 -0.34 0.31 -0.69 0.23 0.00 0.00 176.35 175.87 1upc s VAL 222 N 1.97 5.22 -0.14 -1.59 1.01 0.16 -1.15 120.40 125.89 1upc s VAL 222 Ca 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 1upc s VAL 222 Cb -0.17 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1upc s VAL 222 CO 0.12 -0.09 -0.03 -0.69 0.00 0.00 0.00 175.10 174.40 1upc s VAL 223 N 1.87 4.00 0.49 2.92 1.01 0.47 -0.30 120.40 130.86 1upc s VAL 223 Ca 0.09 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.80 1upc s VAL 223 Cb -0.17 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1upc s VAL 223 CO 0.11 0.52 0.30 -0.83 0.00 0.00 0.00 175.10 175.20 1upc s GLY 224 N 0.07 2.40 0.47 4.51 0.00 -0.77 -2.15 107.32 111.85 1upc s GLY 224 Ca 0.00 -1.46 0.15 0.00 0.00 0.00 0.00 44.72 43.41 1upc s GLY 224 CO 0.02 -1.93 2.04 0.00 0.00 0.00 0.00 173.10 173.24 1upc h ALA 225 N 1.01 1.77 -0.32 3.20 0.00 -1.88 -1.36 119.26 121.69 1upc h ALA 225 Ca -0.40 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.49 1upc h ALA 225 Cb 1.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1upc h ALA 225 CO 0.62 0.16 0.23 0.00 0.00 0.00 0.00 179.25 180.26 1upc h ALA 226 N 1.87 2.27 -0.47 0.00 0.00 -1.90 0.12 119.26 121.15 1upc h ALA 226 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1upc h ALA 226 Cb 0.23 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1upc h ALA 226 CO 0.02 -0.40 0.19 0.00 0.00 0.00 0.00 179.25 179.06 1upc h ALA 227 N 1.83 1.46 -0.08 0.00 0.00 -1.47 -2.56 119.26 118.44 1upc h ALA 227 Ca 0.15 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1upc h ALA 227 Cb 0.62 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1upc h ALA 227 CO -0.00 0.42 -0.24 0.82 0.00 0.00 0.00 179.25 180.24 1upc h ILE 228 N 0.66 1.42 -0.83 0.00 2.04 -1.12 -2.62 117.51 117.07 1upc h ILE 228 Ca 0.16 -1.60 0.17 0.00 1.00 0.00 0.00 64.86 64.60 1upc h ILE 228 Cb 0.12 2.24 -0.06 0.00 -0.74 0.00 0.00 36.82 38.39 1upc h ILE 228 CO -0.02 0.46 0.55 0.03 0.00 0.00 0.00 178.15 179.17 1upc h ARG 229 N -0.17 0.41 0.00 2.37 3.08 -1.37 -2.28 114.38 116.42 1upc h ARG 229 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1upc h ARG 229 Cb 0.86 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1upc h ARG 229 CO 0.05 0.27 0.00 1.03 -1.07 0.00 0.00 179.97 180.25 1upc h SER 230 N 0.42 0.00 0.00 7.04 0.87 -1.37 -3.42 113.55 117.09 1upc h SER 230 Ca 0.42 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1upc h SER 230 Cb 0.99 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1upc h SER 230 CO -0.15 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.76 1upc n GLY 231 N 0.40 0.58 1.15 5.77 0.00 -0.86 -4.61 105.19 107.63 1upc n GLY 231 Ca 0.03 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.36 1upc n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upc n ALA 232 N -0.62 2.42 0.23 4.61 0.00 -0.99 -4.65 120.51 121.50 1upc n ALA 232 Ca 0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 53.44 52.29 1upc n ALA 232 Cb 0.32 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 18.79 1upc n ALA 232 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1upc h VAL 233 N 4.32 0.51 -0.99 0.00 2.07 -1.89 -0.50 116.25 119.77 1upc h VAL 233 Ca 0.00 -0.40 0.16 0.00 0.82 0.00 0.00 66.70 67.27 1upc h VAL 233 Cb 0.96 0.68 -0.10 0.00 -1.52 0.00 0.00 31.29 31.32 1upc h VAL 233 CO 0.00 0.07 0.60 -0.65 0.02 0.00 0.00 177.57 177.61 1upc h PRO 234 N -0.84 0.82 -0.13 1.57 0.11 -1.90 -1.55 132.00 130.08 1upc h PRO 234 Ca -0.06 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.88 1upc h PRO 234 Cb 0.56 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1upc h PRO 234 CO 0.10 0.54 -0.46 0.00 -0.21 0.00 0.00 178.00 177.97 1upc h ALA 235 N 1.59 0.98 -0.19 -0.75 0.00 -1.80 -1.69 119.26 117.41 1upc h ALA 235 Ca 0.54 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1upc h ALA 235 Cb 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1upc h ALA 235 CO -0.33 0.64 -0.48 0.82 0.00 0.00 0.00 179.25 179.89 1upc h ILE 236 N 0.26 1.32 -0.13 0.00 2.04 -0.64 -1.86 117.51 118.48 1upc h ILE 236 Ca 0.02 -1.72 -0.00 0.00 1.00 0.00 0.00 64.86 64.16 1upc h ILE 236 Cb 0.92 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 1upc h ILE 236 CO 0.08 0.54 0.08 -0.09 0.00 0.00 0.00 178.15 178.75 1upc h ARG 237 N 0.35 0.18 -0.87 2.37 2.43 -1.21 0.53 114.38 118.15 1upc h ARG 237 Ca -0.01 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1upc h ARG 237 Cb 1.10 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.57 1upc h ARG 237 CO 0.10 0.17 0.54 0.00 -1.51 0.00 0.00 179.97 179.27 1upc h ALA 238 N 1.00 1.11 -0.46 2.80 0.00 -1.32 0.73 119.26 123.12 1upc h ALA 238 Ca 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1upc h ALA 238 Cb 0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1upc h ALA 238 CO -0.01 0.56 0.16 1.25 0.00 0.00 0.00 179.25 181.21 1upc h LEU 239 N 1.19 0.66 -0.31 0.00 5.85 -1.05 -1.86 115.31 119.80 1upc h LEU 239 Ca 0.31 -0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 1upc h LEU 239 Cb -0.07 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1upc h LEU 239 CO -0.06 0.68 -0.27 0.00 -0.34 0.00 0.00 178.44 178.44 1upc h ALA 240 N 1.01 0.45 -0.08 1.25 0.00 -0.33 -2.62 119.26 118.94 1upc h ALA 240 Ca 0.15 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1upc h ALA 240 Cb 0.24 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1upc h ALA 240 CO -0.01 0.45 0.05 0.93 0.00 0.00 0.00 179.25 180.67 1upc h GLU 241 N 0.49 0.11 -0.49 0.00 5.08 -0.84 0.33 114.58 119.25 1upc h GLU 241 Ca 0.05 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1upc h GLU 241 Cb 0.84 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.01 1upc h GLU 241 CO 0.07 0.15 0.22 -0.09 -1.00 0.00 0.00 179.01 178.36 1upc h ARG 242 N 0.05 0.42 -0.64 2.33 2.43 -1.33 -3.12 114.38 114.51 1upc h ARG 242 Ca 0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1upc h ARG 242 Cb 0.07 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1upc h ARG 242 CO -0.00 0.28 0.00 1.28 -1.51 0.00 0.00 179.97 180.01 1upc n LEU 243 N -4.94 3.79 -3.66 3.80 4.77 -0.99 -4.58 117.00 115.19 1upc n LEU 243 Ca 0.04 -1.91 -0.21 0.00 -0.03 0.00 0.00 56.01 53.90 1upc n LEU 243 Cb 0.16 -0.43 0.04 0.00 -2.33 0.00 0.00 43.42 40.86 1upc n LEU 243 CO 0.27 0.93 -0.03 -3.20 -1.33 0.00 0.00 177.39 174.03 1upc n ASN 244 N 1.53 -1.52 -4.45 -1.43 5.15 0.04 -1.67 115.26 112.90 1upc n ASN 244 Ca 0.23 -0.78 -0.37 0.00 -0.60 0.00 0.00 54.58 53.06 1upc n ASN 244 Cb 0.60 -4.25 -0.12 0.00 -0.53 0.00 0.00 39.78 35.48 1upc n ASN 244 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1upc s ILE 245 N -3.60 4.36 0.56 -1.44 1.01 -0.79 -4.33 121.20 116.97 1upc s ILE 245 Ca 0.04 -0.16 -0.21 0.00 0.00 0.00 0.00 60.65 60.32 1upc s ILE 245 Cb -0.02 -3.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 1upc s ILE 245 CO 0.80 0.34 1.28 -2.65 0.00 0.00 0.00 174.94 174.70 1upc n PRO 246 N 4.93 1.50 -4.20 2.79 -0.02 -1.26 -4.72 135.00 134.02 1upc n PRO 246 Ca -0.16 0.56 -0.34 0.00 -2.02 0.00 0.00 63.50 61.54 1upc n PRO 246 Cb 0.51 -2.48 -0.15 0.00 -0.02 0.00 0.00 33.50 31.36 1upc n PRO 246 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1upc s VAL 247 N -1.33 2.88 0.03 -1.45 1.01 0.10 -1.65 120.40 120.00 1upc s VAL 247 Ca 0.73 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 62.12 1upc s VAL 247 Cb -0.42 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1upc s VAL 247 CO 0.48 0.48 -0.24 -0.63 0.00 0.00 0.00 175.10 175.20 1upc s ILE 248 N 1.14 2.34 0.22 2.22 1.01 -0.30 -1.19 121.20 126.65 1upc s ILE 248 Ca 0.01 -1.25 0.05 0.00 0.00 0.00 0.00 60.65 59.46 1upc s ILE 248 Cb -0.14 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 1upc s ILE 248 CO -0.04 0.41 -0.06 0.42 0.00 0.00 0.00 174.94 175.68 1upc s THR 249 N -0.79 1.33 1.14 2.92 -4.23 -0.92 -0.40 115.64 114.70 1upc s THR 249 Ca 0.12 -2.09 -0.19 0.00 -1.18 0.00 0.00 61.69 58.35 1upc s THR 249 Cb -0.10 -2.22 0.27 0.00 1.34 0.00 0.00 72.50 71.78 1upc s THR 249 CO 0.02 -0.45 1.18 0.42 -0.54 0.00 0.00 174.62 175.25 1upc s THR 250 N -3.23 1.70 0.17 3.99 -4.23 -0.91 -2.11 115.64 111.02 1upc s THR 250 Ca 0.25 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.62 1upc s THR 250 Cb 0.04 -2.65 0.06 0.00 1.34 0.00 0.00 72.50 71.29 1upc s THR 250 CO 0.08 0.00 1.75 1.88 -0.54 0.00 0.00 174.62 177.79 1upc h TYR 251 N -2.35 0.28 -0.01 3.99 0.05 -1.87 -3.10 116.97 113.95 1upc h TYR 251 Ca -0.44 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.36 1upc h TYR 251 Cb 1.27 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.95 1upc h TYR 251 CO -2.01 0.10 -0.36 0.44 -1.05 0.00 0.00 178.16 175.28 1upc n ILE 252 N -5.00 0.00 1.56 -2.88 -5.35 -1.26 -3.61 119.36 102.81 1upc n ILE 252 Ca 0.03 -0.24 0.14 0.00 -0.27 0.00 0.00 62.75 62.42 1upc n ILE 252 Cb 0.17 1.00 0.57 0.00 -1.74 0.00 0.00 39.64 39.64 1upc n ILE 252 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1upc n ALA 253 N -0.09 2.59 -1.61 -1.28 0.00 -1.18 -3.64 120.51 115.30 1upc n ALA 253 Ca 0.11 -0.41 -0.48 0.00 0.00 0.00 0.00 53.44 52.66 1upc n ALA 253 Cb 0.44 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 1upc n ALA 253 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1upc n LYS 254 N 0.02 1.49 0.00 0.00 5.02 -1.19 -2.78 118.16 120.73 1upc n LYS 254 Ca 0.20 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 1upc n LYS 254 Cb 0.32 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 1upc n LYS 254 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1upc n GLY 255 N 2.15 0.64 0.26 0.72 0.00 -1.26 -3.94 105.19 103.76 1upc n GLY 255 Ca 0.14 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.32 1upc n GLY 255 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1upc h VAL 256 N 0.00 0.00 -3.76 1.61 -1.51 -1.77 -3.01 116.25 107.81 1upc h VAL 256 Ca 0.00 -0.58 -0.68 0.00 -1.23 0.00 0.00 66.70 64.21 1upc h VAL 256 Cb 0.00 1.56 -0.19 0.00 -2.13 0.00 0.00 31.29 30.53 1upc h VAL 256 CO 0.00 0.00 -0.81 -0.76 -1.23 0.00 0.00 177.57 174.77 1upc s LEU 257 N -6.05 2.66 0.78 4.19 1.43 -1.26 -4.81 118.68 115.62 1upc s LEU 257 Ca 0.03 -0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 52.44 1upc s LEU 257 Cb 0.08 -1.52 0.07 0.00 0.03 0.00 0.00 46.19 44.85 1upc s LEU 257 CO 0.56 0.18 1.15 -2.84 0.23 0.00 0.00 176.35 175.64 1upc s PRO 258 N -2.08 1.95 0.19 1.29 0.02 -1.26 -4.84 135.00 130.27 1upc s PRO 258 Ca 0.17 1.53 -0.33 0.00 0.02 0.00 0.00 61.00 62.40 1upc s PRO 258 Cb -0.11 -1.83 -0.13 0.00 0.02 0.00 0.00 34.50 32.45 1upc s PRO 258 CO 0.09 -1.93 1.65 0.28 -0.33 0.00 0.00 177.00 176.76 1upc n VAL 259 N -3.25 0.05 0.00 3.83 0.31 -1.26 -2.16 118.33 115.85 1upc n VAL 259 Ca 0.12 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1upc n VAL 259 Cb 0.52 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 1upc n VAL 259 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1upc n GLY 260 N 3.63 1.48 3.70 2.92 0.00 -1.26 -5.05 105.19 110.62 1upc n GLY 260 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 1upc n GLY 260 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1upc n HIS 261 N -2.00 2.47 0.29 1.61 -0.00 -0.92 -4.89 115.22 111.78 1upc n HIS 261 Ca 0.00 0.31 0.15 0.00 -0.00 0.00 0.00 57.72 58.18 1upc n HIS 261 Cb 0.00 -2.54 0.89 0.00 -0.00 0.00 0.00 29.99 28.34 1upc n HIS 261 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 1upc h GLU 262 N 4.91 0.00 -0.01 1.57 4.11 -1.96 -2.68 114.58 120.52 1upc h GLU 262 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1upc h GLU 262 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1upc h GLU 262 CO 0.81 0.02 -0.62 1.28 0.07 0.00 0.00 179.01 180.57 1upc n LEU 263 N -3.80 1.13 -4.56 3.06 4.77 -1.26 -4.74 117.00 111.60 1upc n LEU 263 Ca -0.03 -0.40 -0.27 0.00 -0.03 0.00 0.00 56.01 55.29 1upc n LEU 263 Cb 0.11 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1upc n LEU 263 CO 0.28 0.24 1.35 0.21 -1.33 0.00 0.00 177.39 178.13 1upc s ASN 264 N -2.78 5.13 0.00 -1.43 3.84 -1.01 -0.72 114.94 117.96 1upc s ASN 264 Ca 0.14 -0.64 0.17 0.00 0.21 0.00 0.00 52.86 52.74 1upc s ASN 264 Cb 0.17 -2.56 0.70 0.00 -0.55 0.00 0.00 41.25 39.02 1upc s ASN 264 CO 0.69 -2.75 1.49 -1.22 -2.79 0.00 0.00 177.10 172.52 1upc n TYR 265 N 14.02 0.18 0.00 0.43 4.02 -0.33 -4.93 117.16 130.56 1upc n TYR 265 Ca 0.40 -0.09 0.00 0.00 -0.01 0.00 0.00 57.90 58.20 1upc n TYR 265 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 1upc n TYR 265 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1upc n GLY 266 N 0.98 0.01 3.91 2.72 0.00 -1.25 -4.92 105.19 106.64 1upc n GLY 266 Ca 0.13 -1.92 -0.28 0.00 0.00 0.00 0.00 46.02 43.96 1upc n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upc s ALA 267 N -1.25 3.69 -0.10 4.61 0.00 -1.26 -2.16 121.76 125.29 1upc s ALA 267 Ca 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 1upc s ALA 267 Cb 0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 1upc s ALA 267 CO 0.00 0.27 0.04 0.08 0.00 0.00 0.00 175.76 176.16 1upc s VAL 268 N -2.04 4.68 0.02 0.00 1.01 -0.90 -4.84 120.40 118.33 1upc s VAL 268 Ca 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1upc s VAL 268 Cb -0.11 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1upc s VAL 268 CO 0.30 0.60 -0.03 0.28 0.00 0.00 0.00 175.10 176.25 1upc s THR 269 N -0.83 0.12 0.58 3.92 -1.32 -1.26 -4.53 115.64 112.32 1upc s THR 269 Ca 0.13 -0.70 0.27 0.00 -1.21 0.00 0.00 61.69 60.18 1upc s THR 269 Cb -0.12 -0.23 0.35 0.00 -1.51 0.00 0.00 72.50 70.99 1upc s THR 269 CO 0.03 -0.36 2.15 1.23 -2.21 0.00 0.00 174.62 175.46 1upc h GLY 270 N 5.01 0.00 0.34 6.08 0.00 -1.91 -2.12 103.07 110.48 1upc h GLY 270 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1upc h GLY 270 CO 0.43 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 175.25 1upc n TYR 271 N -3.96 0.01 0.07 5.60 4.02 -1.26 -4.37 117.16 117.27 1upc n TYR 271 Ca -0.00 -0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.83 1upc n TYR 271 Cb 0.23 0.00 0.13 0.00 -0.02 0.00 0.00 39.34 39.67 1upc n TYR 271 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1upc h MET 272 N 1.00 0.29 -0.35 -0.72 -0.00 -1.77 -1.20 114.93 112.18 1upc h MET 272 Ca 0.00 -0.18 -0.08 0.00 -0.00 0.00 0.00 59.70 59.44 1upc h MET 272 Cb 0.21 0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 31.83 1upc h MET 272 CO 0.00 0.78 -0.09 -0.44 -0.00 0.00 0.00 176.91 177.16 1upc h ASP 273 N 0.22 0.68 0.60 -0.10 5.19 -1.78 -2.02 116.42 119.21 1upc h ASP 273 Ca -0.00 -0.37 -0.12 0.00 -0.62 0.00 0.00 57.03 55.92 1upc h ASP 273 Cb 1.06 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.37 1upc h ASP 273 CO 0.09 0.89 -0.56 1.23 -3.12 0.00 0.00 179.24 177.77 1upc h GLY 274 N 0.46 0.00 0.97 2.75 0.00 -1.37 0.53 103.07 106.41 1upc h GLY 274 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.17 1upc h GLY 274 CO 0.04 0.00 -1.06 -2.22 0.00 0.00 0.00 176.54 173.30 1upc h ILE 275 N 0.00 1.39 0.00 2.60 2.04 -1.17 -3.32 117.51 119.05 1upc h ILE 275 Ca -0.01 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.36 1upc h ILE 275 Cb 1.01 2.96 0.00 0.00 -0.74 0.00 0.00 36.82 40.05 1upc h ILE 275 CO 0.07 0.73 -0.38 -0.07 0.00 0.00 0.00 178.15 178.50 1upc h LEU 276 N -0.05 0.00 -1.98 1.44 3.38 -1.37 -3.48 115.31 113.26 1upc h LEU 276 Ca -0.17 -0.02 -0.31 0.00 0.09 0.00 0.00 57.88 57.47 1upc h LEU 276 Cb 1.80 0.00 0.17 0.00 0.09 0.00 0.00 40.66 42.72 1upc h LEU 276 CO 0.20 0.01 -0.81 -3.20 0.09 0.00 0.00 178.44 174.73 1upc n ASN 277 N -2.82 -3.64 -3.56 -0.43 5.15 0.15 -4.99 115.26 105.11 1upc n ASN 277 Ca 0.03 -0.68 -0.16 0.00 -0.60 0.00 0.00 54.58 53.17 1upc n ASN 277 Cb 0.52 -5.02 -0.06 0.00 -0.53 0.00 0.00 39.78 34.69 1upc n ASN 277 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1upc s PHE 278 N -3.40 -0.69 -1.42 1.20 5.36 -1.03 -5.06 117.98 112.94 1upc s PHE 278 Ca 0.17 1.39 -0.14 0.00 -0.96 0.00 0.00 56.93 57.39 1upc s PHE 278 Cb -0.03 0.36 0.03 0.00 -0.34 0.00 0.00 43.02 43.04 1upc s PHE 278 CO 0.74 -0.51 2.22 -0.35 -1.46 0.00 0.00 175.22 175.87 1upc n PRO 279 N 1.57 2.79 -0.00 10.12 -0.04 -1.26 -4.45 135.00 143.72 1upc n PRO 279 Ca -0.17 -2.56 -0.17 0.00 -0.04 0.00 0.00 63.50 60.57 1upc n PRO 279 Cb 0.56 -3.27 -0.11 0.00 -0.04 0.00 0.00 33.50 30.65 1upc n PRO 279 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1upc h ALA 280 N 6.09 0.07 -0.86 0.55 0.00 -1.90 -1.73 119.26 121.47 1upc h ALA 280 Ca 0.57 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1upc h ALA 280 Cb 0.64 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1upc h ALA 280 CO 1.89 0.31 0.49 -0.07 0.00 0.00 0.00 179.25 181.88 1upc h LEU 281 N -0.16 1.05 -0.72 0.00 3.38 -1.92 -0.37 115.31 116.58 1upc h LEU 281 Ca -0.07 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1upc h LEU 281 Cb 1.26 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1upc h LEU 281 CO 0.11 0.83 -0.24 1.56 0.09 0.00 0.00 178.44 180.79 1upc h GLN 282 N 1.20 0.73 -0.43 1.13 1.08 -1.90 -1.41 115.11 115.50 1upc h GLN 282 Ca 0.31 -0.29 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 1upc h GLN 282 Cb -0.01 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1upc h GLN 282 CO -0.05 0.89 -0.04 1.15 -0.95 0.00 0.00 178.83 179.83 1upc h THR 283 N 0.63 1.27 -0.40 -0.54 2.02 -0.80 0.05 112.91 115.14 1upc h THR 283 Ca 0.09 -1.11 -0.12 0.00 0.77 0.00 0.00 66.41 66.04 1upc h THR 283 Cb 0.73 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1upc h THR 283 CO 0.06 0.38 -0.22 -0.03 0.37 0.00 0.00 175.52 176.08 1upc h MET 284 N 0.62 0.79 0.00 6.66 1.85 -0.91 -3.40 114.93 120.54 1upc h MET 284 Ca 0.12 -0.32 0.00 0.00 -0.61 0.00 0.00 59.70 58.89 1upc h MET 284 Cb 0.55 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.54 1upc h MET 284 CO 0.03 0.94 -0.70 1.19 -0.40 0.00 0.00 176.91 177.97 1upc n PHE 285 N -4.11 0.00 -0.35 1.39 3.72 -0.55 -4.78 117.46 112.78 1upc n PHE 285 Ca 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.41 1upc n PHE 285 Cb 0.43 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.12 1upc n PHE 285 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1upc h ALA 286 N 0.00 1.28 -0.01 4.37 0.00 -1.06 -1.87 119.26 121.98 1upc h ALA 286 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1upc h ALA 286 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1upc h ALA 286 CO 0.00 0.43 -0.09 -0.35 0.00 0.00 0.00 179.25 179.24 1upc n PRO 287 N -4.52 1.29 -2.31 0.00 -0.04 -1.26 -2.47 135.00 125.68 1upc n PRO 287 Ca 0.13 -0.69 -0.41 0.00 -0.04 0.00 0.00 63.50 62.49 1upc n PRO 287 Cb 0.14 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.08 1upc n PRO 287 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1upc s VAL 288 N -2.19 3.39 -0.42 0.52 1.01 -0.70 -4.66 120.40 117.34 1upc s VAL 288 Ca 0.34 1.18 0.05 0.00 0.00 0.00 0.00 61.98 63.55 1upc s VAL 288 Cb 0.20 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1upc s VAL 288 CO 0.41 0.19 0.40 -0.90 0.00 0.00 0.00 175.10 175.20 1upc n ASP 289 N 2.40 0.75 -3.70 3.32 5.75 -0.88 -4.66 116.55 119.53 1upc n ASP 289 Ca 0.05 -0.87 -0.15 0.00 -0.01 0.00 0.00 54.79 53.80 1upc n ASP 289 Cb 0.44 0.58 -0.15 0.00 -1.03 0.00 0.00 41.12 40.96 1upc n ASP 289 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1upc s LEU 290 N -1.47 0.19 -0.15 -2.12 2.96 -1.25 -1.48 118.68 115.36 1upc s LEU 290 Ca 0.04 0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 54.31 1upc s LEU 290 Cb 0.04 0.40 -0.01 0.00 0.50 0.00 0.00 46.19 47.11 1upc s LEU 290 CO 0.14 -0.21 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.16 1upc s VAL 291 N 1.86 3.11 -0.36 1.68 1.01 0.16 -1.40 120.40 126.47 1upc s VAL 291 Ca -0.02 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 1upc s VAL 291 Cb -0.12 -2.33 0.09 0.00 0.00 0.00 0.00 36.38 34.03 1upc s VAL 291 CO -0.06 0.51 0.09 -0.76 0.00 0.00 0.00 175.10 174.88 1upc s LEU 292 N 0.59 4.71 -0.89 3.92 1.02 -0.51 -0.60 118.68 126.93 1upc s LEU 292 Ca -0.07 -1.87 -0.25 0.00 0.02 0.00 0.00 54.13 51.96 1upc s LEU 292 Cb -0.15 -1.73 0.04 0.00 0.02 0.00 0.00 46.19 44.37 1upc s LEU 292 CO 0.03 -0.41 1.36 0.42 0.02 0.00 0.00 176.35 177.77 1upc s THR 293 N 1.09 3.85 -0.46 5.49 -4.23 -0.46 -0.66 115.64 120.26 1upc s THR 293 Ca 0.05 -0.24 -0.24 0.00 -1.18 0.00 0.00 61.69 60.08 1upc s THR 293 Cb -0.21 -4.99 0.03 0.00 1.34 0.00 0.00 72.50 68.67 1upc s THR 293 CO -0.05 -1.89 0.85 -0.69 -0.54 0.00 0.00 174.62 172.30 1upc s VAL 294 N 5.27 4.57 -0.11 2.29 1.01 0.58 -1.77 120.40 132.24 1upc s VAL 294 Ca 0.40 0.53 -0.01 0.00 0.00 0.00 0.00 61.98 62.91 1upc s VAL 294 Cb -0.04 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 31.96 1upc s VAL 294 CO 0.02 -0.79 0.10 0.61 0.00 0.00 0.00 175.10 175.04 1upc n GLY 295 N 4.98 0.83 3.77 4.51 0.00 0.86 -1.84 105.19 118.29 1upc n GLY 295 Ca 0.04 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 1upc n GLY 295 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1upc s TYR 296 N -3.03 2.75 -0.28 1.61 5.04 -1.07 -4.12 117.35 118.25 1upc s TYR 296 Ca 0.05 1.37 -0.00 0.00 -2.44 0.00 0.00 57.07 56.04 1upc s TYR 296 Cb -0.02 -3.74 0.17 0.00 0.35 0.00 0.00 41.96 38.72 1upc s TYR 296 CO 0.06 -2.29 0.51 0.34 -1.34 0.00 0.00 175.55 172.83 1upc s ASP 297 N -0.64 -0.70 0.55 4.32 -1.08 -1.26 -4.84 116.67 113.02 1upc s ASP 297 Ca 0.57 0.43 0.31 0.00 -0.52 0.00 0.00 52.55 53.35 1upc s ASP 297 Cb -0.40 1.70 1.48 0.00 -1.46 0.00 0.00 42.92 44.23 1upc s ASP 297 CO 0.51 -0.29 1.88 0.22 0.52 0.00 0.00 175.17 178.01 1upc h TYR 298 N 8.08 0.00 0.00 -5.34 3.20 -1.95 -1.63 116.97 119.33 1upc h TYR 298 Ca -0.17 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.68 1upc h TYR 298 Cb 1.16 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.43 1upc h TYR 298 CO 0.15 0.00 -0.09 0.00 -1.64 0.00 0.00 178.16 176.58 1upc h ALA 299 N 1.51 1.56 0.00 1.82 0.00 -1.94 -1.08 119.26 121.14 1upc h ALA 299 Ca 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1upc h ALA 299 Cb 1.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1upc h ALA 299 CO -0.00 0.11 0.00 0.93 0.00 0.00 0.00 179.25 180.29 1upc h GLU 300 N 0.00 0.00 -0.25 0.00 5.08 -1.54 -3.25 114.58 114.63 1upc h GLU 300 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1upc h GLU 300 Cb 0.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1upc h GLU 300 CO 0.01 0.00 -0.09 -3.47 -1.00 0.00 0.00 179.01 174.47 1upc n ASP 301 N -2.44 -3.43 -4.44 1.42 2.03 -0.41 -4.81 116.55 104.48 1upc n ASP 301 Ca 0.02 0.10 -0.44 0.00 0.52 0.00 0.00 54.79 54.99 1upc n ASP 301 Cb 0.26 -1.44 -0.05 0.00 -0.72 0.00 0.00 41.12 39.17 1upc n ASP 301 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1upc s LEU 302 N -1.04 4.85 0.15 -2.67 2.96 -1.26 -4.72 118.68 116.95 1upc s LEU 302 Ca 0.00 -1.00 0.04 0.00 -0.22 0.00 0.00 54.13 52.95 1upc s LEU 302 Cb 0.00 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.20 1upc s LEU 302 CO 0.00 -1.12 0.17 -0.13 -1.32 0.00 0.00 176.35 173.95 1upc s ARG 303 N 3.13 3.03 0.27 1.98 0.52 -1.26 -4.82 118.95 121.79 1upc s ARG 303 Ca 0.18 -0.79 -0.00 0.00 -0.52 0.00 0.00 55.73 54.59 1upc s ARG 303 Cb -0.19 -2.73 0.58 0.00 0.52 0.00 0.00 34.95 33.13 1upc s ARG 303 CO 0.11 0.50 1.73 -1.35 0.02 0.00 0.00 175.30 176.31 1upc h PRO 304 N 2.41 0.48 -0.16 3.54 0.11 -1.97 -1.41 132.00 135.00 1upc h PRO 304 Ca -0.48 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.65 1upc h PRO 304 Cb 1.20 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1upc h PRO 304 CO 0.65 0.32 0.23 0.66 -0.21 0.00 0.00 178.00 179.64 1upc h SER 305 N 0.49 0.00 0.55 -2.05 4.64 -1.94 -1.48 113.55 113.76 1upc h SER 305 Ca 0.48 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.65 1upc h SER 305 Cb 0.78 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.86 1upc h SER 305 CO -0.43 0.00 -0.67 0.24 -0.87 0.00 0.00 176.83 175.10 1upc h MET 306 N 0.00 0.11 -0.01 4.77 2.86 -1.62 -3.23 114.93 117.81 1upc h MET 306 Ca 0.08 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1upc h MET 306 Cb 0.54 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1upc h MET 306 CO -0.00 0.74 -0.48 -2.67 1.06 0.00 0.00 176.91 175.55 1upc n TRP 307 N -3.78 0.00 -2.27 -0.22 2.14 -0.63 -4.72 117.44 107.95 1upc n TRP 307 Ca -0.02 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.13 1upc n TRP 307 Cb 0.66 -0.08 0.00 0.00 -0.81 0.00 0.00 31.31 31.09 1upc n TRP 307 CO 0.00 0.00 0.00 1.04 2.07 0.00 0.00 177.69 180.80 1upc n GLN 308 N -0.67 3.25 -4.43 -2.67 6.02 -0.79 -4.88 117.38 113.21 1upc n GLN 308 Ca 0.09 -3.22 -0.22 0.00 -0.01 0.00 0.00 57.00 53.63 1upc n GLN 308 Cb 0.39 -3.17 -0.16 0.00 1.02 0.00 0.00 30.24 28.32 1upc n GLN 308 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1upc s LYS 309 N 2.18 1.32 6.02 -1.09 -0.14 -1.26 -4.99 119.74 121.77 1upc s LYS 309 Ca 0.45 -0.30 0.00 0.00 -1.36 0.00 0.00 55.97 54.76 1upc s LYS 309 Cb 0.08 -1.15 0.00 0.00 -1.68 0.00 0.00 37.83 35.08 1upc s LYS 309 CO -0.01 0.01 0.00 0.41 -0.76 0.00 0.00 175.35 175.00 1upc n GLY 310 N 3.79 0.40 3.76 -3.33 0.00 -1.26 -3.72 105.19 104.82 1upc n GLY 310 Ca -0.23 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 1upc n GLY 310 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1upc s ILE 311 N 0.00 3.02 0.18 -0.61 -4.36 -1.03 -4.96 121.20 113.43 1upc s ILE 311 Ca 0.00 0.50 -0.33 0.00 -0.26 0.00 0.00 60.65 60.56 1upc s ILE 311 Cb 0.00 -3.05 -0.15 0.00 1.25 0.00 0.00 42.46 40.51 1upc s ILE 311 CO 0.00 -0.26 1.30 -0.62 0.24 0.00 0.00 174.94 175.60 1upc n GLU 312 N -2.30 1.51 -4.29 0.37 -0.58 -1.26 -4.95 120.64 109.13 1upc n GLU 312 Ca 0.11 0.54 -0.25 0.00 -0.42 0.00 0.00 57.16 57.14 1upc n GLU 312 Cb 0.51 -2.13 -0.08 0.00 -0.57 0.00 0.00 31.44 29.17 1upc n GLU 312 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1upc s LYS 313 N -0.11 2.16 0.09 3.49 1.02 -1.26 -4.72 119.74 120.42 1upc s LYS 313 Ca 0.74 -1.32 0.01 0.00 0.02 0.00 0.00 55.97 55.43 1upc s LYS 313 Cb -0.79 -2.17 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 1upc s LYS 313 CO 0.49 0.41 0.21 0.15 -0.92 0.00 0.00 175.35 175.69 1upc s LYS 314 N -3.14 3.33 0.03 1.68 -0.14 -0.55 -4.97 119.74 115.98 1upc s LYS 314 Ca 0.27 -0.55 0.05 0.00 -1.36 0.00 0.00 55.97 54.39 1upc s LYS 314 Cb -0.08 -2.95 -0.02 0.00 -1.68 0.00 0.00 37.83 33.10 1upc s LYS 314 CO 0.17 0.57 -0.16 0.95 -0.76 0.00 0.00 175.35 176.12 1upc s THR 315 N -1.58 1.28 -0.13 2.17 -4.23 -1.26 -0.66 115.64 111.23 1upc s THR 315 Ca 0.34 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 1upc s THR 315 Cb -0.12 -1.12 0.02 0.00 1.34 0.00 0.00 72.50 72.62 1upc s THR 315 CO 0.27 0.15 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.70 1upc s VAL 316 N -0.69 1.36 -0.21 2.29 1.01 0.24 -1.78 120.40 122.61 1upc s VAL 316 Ca 0.04 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 1upc s VAL 316 Cb -0.07 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 1upc s VAL 316 CO 0.01 0.42 0.23 -0.60 0.00 0.00 0.00 175.10 175.16 1upc s ARG 317 N 1.55 4.15 -0.21 2.72 3.52 0.17 -1.35 118.95 129.51 1upc s ARG 317 Ca 0.04 -0.09 0.01 0.00 -0.13 0.00 0.00 55.73 55.57 1upc s ARG 317 Cb -0.13 -3.49 0.03 0.00 -1.56 0.00 0.00 34.95 29.80 1upc s ARG 317 CO -0.09 0.12 -0.15 0.42 -0.81 0.00 0.00 175.30 174.79 1upc s ILE 318 N 0.85 2.24 -0.10 4.11 1.09 -0.73 0.59 121.20 129.25 1upc s ILE 318 Ca 0.12 -1.12 -0.19 0.00 -1.10 0.00 0.00 60.65 58.36 1upc s ILE 318 Cb -0.13 -2.07 0.05 0.00 -1.06 0.00 0.00 42.46 39.24 1upc s ILE 318 CO 0.04 0.34 0.48 -0.55 -0.10 0.00 0.00 174.94 175.15 1upc s SER 319 N 1.25 -0.45 0.00 3.58 0.15 -0.93 -0.10 113.70 117.21 1upc s SER 319 Ca 0.01 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.31 1upc s SER 319 Cb -0.15 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1upc s SER 319 CO -0.09 -0.35 0.81 -0.81 1.20 0.00 0.00 173.24 173.99 1upc n PRO 320 N 1.92 0.91 -4.02 5.44 -0.04 -0.82 -1.53 135.00 136.87 1upc n PRO 320 Ca -0.17 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.21 1upc n PRO 320 Cb 0.56 -1.14 -0.10 0.00 -0.04 0.00 0.00 33.50 32.78 1upc n PRO 320 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1upc s THR 321 N -0.16 0.16 0.41 0.52 -4.23 -1.26 -1.24 115.64 109.84 1upc s THR 321 Ca 0.00 -1.28 -0.25 0.00 -1.18 0.00 0.00 61.69 58.98 1upc s THR 321 Cb 0.00 -0.83 -0.08 0.00 1.34 0.00 0.00 72.50 72.93 1upc s THR 321 CO 0.00 -0.71 1.24 -0.69 -0.54 0.00 0.00 174.62 173.92 1upc s VAL 322 N -2.55 2.86 -0.26 2.29 1.01 -1.26 -4.84 120.40 117.64 1upc s VAL 322 Ca -0.06 0.74 -0.33 0.00 0.00 0.00 0.00 61.98 62.33 1upc s VAL 322 Cb -0.02 -3.42 -0.09 0.00 0.00 0.00 0.00 36.38 32.85 1upc s VAL 322 CO -0.05 0.08 2.14 -3.20 0.00 0.00 0.00 175.10 174.07 1upc n ASN 323 N 0.03 2.71 0.15 3.32 5.15 -1.26 -4.88 115.26 120.48 1upc n ASN 323 Ca 0.04 0.45 0.13 0.00 -0.60 0.00 0.00 54.58 54.60 1upc n ASN 323 Cb 0.45 -1.37 0.29 0.00 -0.53 0.00 0.00 39.78 38.62 1upc n ASN 323 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1upc h PRO 324 N 12.64 0.00 -1.38 1.20 0.13 -1.97 -3.40 132.00 139.22 1upc h PRO 324 Ca -0.35 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.26 1upc h PRO 324 Cb 1.29 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 32.00 1upc h PRO 324 CO 0.99 0.00 -0.88 0.44 -0.23 0.00 0.00 178.00 178.32 1upc n ILE 325 N -2.58 1.93 0.31 -3.56 -5.35 -1.26 -4.91 119.36 103.93 1upc n ILE 325 Ca 0.05 -4.36 0.20 0.00 -0.27 0.00 0.00 62.75 58.36 1upc n ILE 325 Cb 0.47 -0.65 1.04 0.00 -1.74 0.00 0.00 39.64 38.76 1upc n ILE 325 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1upc h PRO 326 N 2.73 0.00 -0.43 6.28 0.13 -1.79 -0.64 132.00 138.28 1upc h PRO 326 Ca 0.17 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.30 1upc h PRO 326 Cb 0.99 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 1upc h PRO 326 CO 0.74 0.00 0.28 -0.09 -0.23 0.00 0.00 178.00 178.70 1upc h ARG 327 N 0.00 0.56 0.00 0.86 2.43 -1.98 -3.34 114.38 112.90 1upc h ARG 327 Ca 0.01 -0.03 -0.29 0.00 -0.81 0.00 0.00 59.98 58.86 1upc h ARG 327 Cb 0.22 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.59 1upc h ARG 327 CO -0.00 0.37 -2.10 0.28 -1.51 0.00 0.00 179.97 177.01 1upc n VAL 328 N -4.47 1.11 -3.84 0.20 0.31 -0.39 -4.92 118.33 106.33 1upc n VAL 328 Ca 0.03 -0.43 -0.30 0.00 -0.01 0.00 0.00 64.34 63.63 1upc n VAL 328 Cb 0.06 -1.17 -0.15 0.00 -0.91 0.00 0.00 33.84 31.67 1upc n VAL 328 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1upc s TYR 329 N -2.39 2.12 -0.71 3.52 5.04 -0.39 -4.85 117.35 119.69 1upc s TYR 329 Ca -0.26 -1.81 -0.04 0.00 -2.44 0.00 0.00 57.07 52.52 1upc s TYR 329 Cb 0.07 -1.76 0.18 0.00 0.35 0.00 0.00 41.96 40.80 1upc s TYR 329 CO 0.45 -0.82 0.56 1.03 -1.34 0.00 0.00 175.55 175.43 1upc s ARG 330 N 1.48 2.87 0.56 4.97 0.52 -1.26 -4.20 118.95 123.89 1upc s ARG 330 Ca 0.04 -2.66 -0.21 0.00 -0.52 0.00 0.00 55.73 52.38 1upc s ARG 330 Cb -0.18 -3.89 -0.04 0.00 0.52 0.00 0.00 34.95 31.36 1upc s ARG 330 CO -0.15 -1.21 1.30 -1.25 0.02 0.00 0.00 175.30 174.01 1upc s PRO 331 N -0.27 3.10 0.31 3.54 0.04 -1.26 -4.90 135.00 135.55 1upc s PRO 331 Ca 0.19 2.08 0.01 0.00 0.04 0.00 0.00 61.00 63.32 1upc s PRO 331 Cb -0.16 -2.15 0.50 0.00 0.04 0.00 0.00 34.50 32.72 1upc s PRO 331 CO -0.06 -1.18 1.89 -0.44 0.04 0.00 0.00 177.00 177.25 1upc h ASP 332 N 1.29 0.72 -3.41 6.66 3.32 -1.77 -3.42 116.42 119.81 1upc h ASP 332 Ca -0.51 -0.10 -0.39 0.00 0.02 0.00 0.00 57.03 56.05 1upc h ASP 332 Cb 1.30 -0.19 -0.35 0.00 0.22 0.00 0.00 39.33 40.31 1upc h ASP 332 CO 0.57 0.66 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.30 1upc s VAL 333 N -5.32 0.35 -0.26 -1.35 1.01 -0.73 -5.03 120.40 109.07 1upc s VAL 333 Ca -0.10 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1upc s VAL 333 Cb 0.16 -0.44 0.03 0.00 0.00 0.00 0.00 36.38 36.12 1upc s VAL 333 CO 0.78 0.21 -0.03 -0.62 0.00 0.00 0.00 175.10 175.44 1upc s ASP 334 N 1.27 4.51 -0.50 3.32 -1.08 -1.26 -0.65 116.67 122.27 1upc s ASP 334 Ca -0.06 -0.90 -0.07 0.00 -0.52 0.00 0.00 52.55 51.00 1upc s ASP 334 Cb -0.13 -1.70 0.13 0.00 -1.46 0.00 0.00 42.92 39.75 1upc s ASP 334 CO -0.02 -0.15 0.36 -0.69 0.52 0.00 0.00 175.17 175.18 1upc s VAL 335 N 1.34 4.06 -0.60 1.11 1.01 0.20 -4.93 120.40 122.58 1upc s VAL 335 Ca -0.00 -2.03 -0.21 0.00 0.00 0.00 0.00 61.98 59.74 1upc s VAL 335 Cb -0.17 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.62 1upc s VAL 335 CO -0.03 -0.79 0.81 -0.69 0.00 0.00 0.00 175.10 174.40 1upc s VAL 336 N 1.06 4.61 0.14 2.92 1.01 -1.26 -2.18 120.40 126.70 1upc s VAL 336 Ca 0.08 -0.60 -0.24 0.00 0.00 0.00 0.00 61.98 61.22 1upc s VAL 336 Cb -0.24 -4.54 0.08 0.00 0.00 0.00 0.00 36.38 31.68 1upc s VAL 336 CO -0.02 -1.21 1.09 0.28 0.00 0.00 0.00 175.10 175.24 1upc s THR 337 N 3.29 0.00 0.29 3.92 -1.32 -0.58 -0.93 115.64 120.30 1upc s THR 337 Ca 0.17 -0.50 -0.29 0.00 -1.21 0.00 0.00 61.69 59.86 1upc s THR 337 Cb -0.20 -2.81 -0.10 0.00 -1.51 0.00 0.00 72.50 67.88 1upc s THR 337 CO 0.09 0.00 1.36 -0.62 -2.21 0.00 0.00 174.62 173.24 1upc s ASP 338 N -3.44 6.73 0.07 8.08 2.15 -1.26 -1.95 116.67 127.05 1upc s ASP 338 Ca 0.22 2.66 -0.21 0.00 0.43 0.00 0.00 52.55 55.65 1upc s ASP 338 Cb -0.02 -2.64 -0.12 0.00 -0.30 0.00 0.00 42.92 39.85 1upc s ASP 338 CO 0.04 -0.60 1.54 0.58 -0.17 0.00 0.00 175.17 176.56 1upc h VAL 339 N 3.28 1.21 -0.30 1.11 2.07 -1.92 0.04 116.25 121.74 1upc h VAL 339 Ca -0.47 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 66.41 1upc h VAL 339 Cb 1.22 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 1upc h VAL 339 CO 0.71 0.20 0.10 0.25 0.02 0.00 0.00 177.57 178.84 1upc h LEU 340 N 0.03 0.10 -1.10 2.57 5.85 -1.90 -0.37 115.31 120.48 1upc h LEU 340 Ca 0.04 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.87 1upc h LEU 340 Cb 0.28 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 1upc h LEU 340 CO 0.00 0.09 0.61 0.00 -0.34 0.00 0.00 178.44 178.80 1upc h ALA 341 N 1.20 1.49 -0.01 1.25 0.00 -1.88 -1.47 119.26 119.84 1upc h ALA 341 Ca 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1upc h ALA 341 Cb 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1upc h ALA 341 CO -0.15 0.36 0.01 0.35 0.00 0.00 0.00 179.25 179.82 1upc h PHE 342 N 1.06 0.02 -0.53 0.00 3.57 -0.12 -2.20 116.94 118.75 1upc h PHE 342 Ca 0.41 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.87 1upc h PHE 342 Cb 0.23 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1upc h PHE 342 CO -0.00 0.12 0.15 0.28 -2.23 0.00 0.00 178.31 176.63 1upc h VAL 343 N -0.09 1.22 -0.28 1.41 2.07 -0.62 0.48 116.25 120.43 1upc h VAL 343 Ca 0.00 -0.75 -0.15 0.00 0.82 0.00 0.00 66.70 66.62 1upc h VAL 343 Cb 0.11 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1upc h VAL 343 CO -0.00 0.28 -0.41 -0.33 0.02 0.00 0.00 177.57 177.13 1upc h GLU 344 N 0.77 0.77 -0.38 1.57 5.08 -1.26 -0.74 114.58 120.40 1upc h GLU 344 Ca 0.17 -0.46 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 1upc h GLU 344 Cb 0.26 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1upc h GLU 344 CO -0.01 1.08 -0.05 1.25 -1.00 0.00 0.00 179.01 180.29 1upc h HIS 345 N 0.53 0.67 -0.12 4.33 2.76 -1.06 -2.98 115.15 119.28 1upc h HIS 345 Ca 0.03 -0.09 -0.17 0.00 -2.20 0.00 0.00 60.37 57.94 1upc h HIS 345 Cb 1.00 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.77 1upc h HIS 345 CO 0.08 0.67 -0.63 0.35 -1.30 0.00 0.00 177.93 177.09 1upc h PHE 346 N 0.59 0.55 -0.39 5.26 3.57 -0.55 -2.22 116.94 123.75 1upc h PHE 346 Ca 0.11 -0.21 0.03 0.00 3.53 0.00 0.00 57.97 61.43 1upc h PHE 346 Cb 0.45 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 1upc h PHE 346 CO 0.02 0.94 0.20 0.93 -2.23 0.00 0.00 178.31 178.17 1upc h GLU 347 N 0.31 0.40 -0.42 1.11 4.39 -1.01 -1.42 114.58 117.95 1upc h GLU 347 Ca -0.01 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1upc h GLU 347 Cb 1.17 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.72 1upc h GLU 347 CO 0.11 0.27 0.14 1.15 -1.16 0.00 0.00 179.01 179.52 1upc h THR 348 N 0.42 1.21 0.00 1.13 2.02 -1.37 -1.00 112.91 115.32 1upc h THR 348 Ca 0.16 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1upc h THR 348 Cb 0.05 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1upc h THR 348 CO -0.10 0.25 0.00 0.00 0.37 0.00 0.00 175.52 176.03 1upc h ALA 349 N 0.99 1.00 -0.01 6.16 0.00 -1.14 -3.19 119.26 123.07 1upc h ALA 349 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1upc h ALA 349 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1upc h ALA 349 CO -0.01 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.49 1upc n THR 350 N -2.83 1.15 -0.32 0.00 -2.24 -0.56 -4.81 114.28 104.67 1upc n THR 350 Ca 0.01 -1.21 0.10 0.00 -2.27 0.00 0.00 64.05 60.68 1upc n THR 350 Cb 0.30 0.38 0.31 0.00 -2.10 0.00 0.00 70.33 69.22 1upc n THR 350 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1upc h ALA 351 N 0.06 1.67 -0.01 6.98 0.00 -1.17 -2.47 119.26 124.33 1upc h ALA 351 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1upc h ALA 351 Cb 0.59 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1upc h ALA 351 CO 0.00 0.06 -0.11 -1.13 0.00 0.00 0.00 179.25 178.07 1upc n SER 352 N -4.61 0.94 -4.78 0.00 3.41 -1.26 -4.96 113.62 102.36 1upc n SER 352 Ca 0.19 -1.02 -0.37 0.00 -0.26 0.00 0.00 58.87 57.41 1upc n SER 352 Cb 0.44 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 1upc n SER 352 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1upc s PHE 353 N -2.28 3.13 0.19 7.33 0.40 -0.93 -5.02 117.98 120.78 1upc s PHE 353 Ca 0.32 1.60 -0.30 0.00 -0.60 0.00 0.00 56.93 57.96 1upc s PHE 353 Cb 0.20 -3.22 -0.08 0.00 0.51 0.00 0.00 43.02 40.43 1upc s PHE 353 CO 0.43 -0.95 1.07 0.20 0.70 0.00 0.00 175.22 176.68 1upc s GLY 354 N -1.48 2.91 0.56 4.36 0.00 -1.26 -5.01 107.32 107.40 1upc s GLY 354 Ca 0.60 0.79 -0.19 0.00 0.00 0.00 0.00 44.72 45.91 1upc s GLY 354 CO 0.30 1.59 0.73 0.00 0.00 0.00 0.00 173.10 175.72 1upc n ALA 355 N 2.21 -0.56 -2.14 3.20 0.00 -1.26 -5.00 120.51 116.97 1upc n ALA 355 Ca 0.02 0.02 -0.24 0.00 0.00 0.00 0.00 53.44 53.24 1upc n ALA 355 Cb 0.46 -1.95 0.03 0.00 0.00 0.00 0.00 19.45 17.99 1upc n ALA 355 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1upc s LYS 356 N -2.31 2.81 -0.34 0.00 -0.14 -0.67 -4.98 119.74 114.11 1upc s LYS 356 Ca 0.71 -0.42 -0.22 0.00 -1.36 0.00 0.00 55.97 54.68 1upc s LYS 356 Cb -0.45 -2.43 0.00 0.00 -1.68 0.00 0.00 37.83 33.27 1upc s LYS 356 CO 0.52 -0.59 0.70 -0.65 -0.76 0.00 0.00 175.35 174.57 1upc s GLN 357 N -4.79 3.79 0.33 1.68 -1.52 -1.26 -4.73 119.66 113.17 1upc s GLN 357 Ca 0.53 0.26 -0.25 0.00 -1.95 0.00 0.00 55.36 53.95 1upc s GLN 357 Cb -0.10 -3.78 -0.10 0.00 -0.22 0.00 0.00 33.01 28.81 1upc s GLN 357 CO 0.40 -0.72 0.93 -0.98 -0.25 0.00 0.00 175.29 174.68 1upc s ARG 358 N 2.83 4.51 0.62 2.91 1.70 -1.26 -4.65 118.95 125.60 1upc s ARG 358 Ca 0.28 1.27 -0.16 0.00 -0.47 0.00 0.00 55.73 56.65 1upc s ARG 358 Cb -0.14 -2.71 -0.02 0.00 -0.57 0.00 0.00 34.95 31.50 1upc s ARG 358 CO 0.14 0.24 1.08 -3.38 -1.08 0.00 0.00 175.30 172.31 1upc s HIS 359 N -1.70 2.83 -0.27 5.89 -3.43 -1.26 -5.01 115.29 112.34 1upc s HIS 359 Ca 0.51 1.53 -0.24 0.00 -0.80 0.00 0.00 55.06 56.07 1upc s HIS 359 Cb -0.17 -3.09 -0.00 0.00 -1.43 0.00 0.00 32.58 27.89 1upc s HIS 359 CO 0.22 -1.36 0.79 0.34 -2.00 0.00 0.00 174.74 172.73 1upc s ASP 360 N -2.65 6.73 -0.17 7.38 2.15 -1.26 -4.94 116.67 123.91 1upc s ASP 360 Ca 0.65 0.84 0.14 0.00 0.43 0.00 0.00 52.55 54.62 1upc s ASP 360 Cb -0.18 -2.41 0.37 0.00 -0.30 0.00 0.00 42.92 40.39 1upc s ASP 360 CO 0.38 -0.54 1.19 2.30 -0.17 0.00 0.00 175.17 178.33 1upc n ILE 361 N 5.37 2.04 -0.35 4.11 -5.35 -1.26 -4.86 119.36 119.05 1upc n ILE 361 Ca 0.04 -2.81 -0.01 0.00 -0.27 0.00 0.00 62.75 59.70 1upc n ILE 361 Cb 0.48 -0.22 0.12 0.00 -1.74 0.00 0.00 39.64 38.28 1upc n ILE 361 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1upc h GLU 362 N 0.60 1.17 -0.63 6.28 4.39 -1.98 -2.24 114.58 122.18 1upc h GLU 362 Ca -0.00 -0.07 0.06 0.00 0.34 0.00 0.00 59.36 59.68 1upc h GLU 362 Cb 1.01 -0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 29.36 1upc h GLU 362 CO 0.00 0.78 0.42 -1.35 -1.16 0.00 0.00 179.01 177.70 1upc h PRO 363 N 1.21 0.63 -0.32 2.33 0.11 -1.99 0.51 132.00 134.47 1upc h PRO 363 Ca 0.37 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.26 1upc h PRO 363 Cb -0.03 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 30.93 1upc h PRO 363 CO -0.11 0.41 -0.49 1.25 -0.21 0.00 0.00 178.00 178.85 1upc h LEU 364 N 0.64 0.99 -0.47 2.35 5.85 -1.81 -1.26 115.31 121.60 1upc h LEU 364 Ca 0.27 -0.51 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 1upc h LEU 364 Cb 0.24 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1upc h LEU 364 CO -0.08 1.31 0.13 0.03 -0.34 0.00 0.00 178.44 179.48 1upc h ARG 365 N 0.70 0.74 -0.87 1.25 3.08 -0.85 -0.92 114.38 117.52 1upc h ARG 365 Ca 0.03 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 1upc h ARG 365 Cb 1.10 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.01 1upc h ARG 365 CO 0.11 0.72 0.44 0.00 -1.07 0.00 0.00 179.97 180.17 1upc h ALA 366 N 0.99 1.11 -0.13 0.04 0.00 -0.89 0.19 119.26 120.57 1upc h ALA 366 Ca 0.15 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1upc h ALA 366 Cb 0.30 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1upc h ALA 366 CO -0.00 0.66 -0.38 -0.09 0.00 0.00 0.00 179.25 179.43 1upc h ARG 367 N 1.23 0.27 -0.05 0.00 9.65 -0.94 0.01 114.38 124.55 1upc h ARG 367 Ca 0.30 -0.12 -0.04 0.00 -1.10 0.00 0.00 59.98 59.02 1upc h ARG 367 Cb 0.09 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 1upc h ARG 367 CO -0.04 0.62 -0.12 0.82 2.80 0.00 0.00 179.97 184.05 1upc h ILE 368 N 0.23 1.43 -0.74 1.20 2.04 -0.75 -2.87 117.51 118.05 1upc h ILE 368 Ca 0.02 -1.46 0.07 0.00 1.00 0.00 0.00 64.86 64.49 1upc h ILE 368 Cb 0.79 2.26 -0.05 0.00 -0.74 0.00 0.00 36.82 39.08 1upc h ILE 368 CO 0.06 0.40 0.49 0.00 0.00 0.00 0.00 178.15 179.10 1upc h ALA 369 N 0.46 1.72 -0.31 1.87 0.00 -0.49 -2.06 119.26 120.45 1upc h ALA 369 Ca -0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1upc h ALA 369 Cb 0.72 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1upc h ALA 369 CO 0.03 0.16 -0.09 1.49 0.00 0.00 0.00 179.25 180.83 1upc h GLU 370 N 0.75 0.60 -0.55 0.00 4.81 -1.03 -2.05 114.58 117.10 1upc h GLU 370 Ca 0.33 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1upc h GLU 370 Cb 0.31 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1upc h GLU 370 CO -0.11 0.80 0.31 0.74 -0.73 0.00 0.00 179.01 180.02 1upc h PHE 371 N 0.37 0.75 0.00 0.92 -1.00 -1.23 -2.65 116.94 114.09 1upc h PHE 371 Ca 0.08 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.80 1upc h PHE 371 Cb 0.59 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 1upc h PHE 371 CO 0.05 0.53 -0.21 -0.07 -1.61 0.00 0.00 178.31 177.01 1upc h LEU 372 N 0.74 0.00 -0.70 1.54 3.38 -1.15 -2.99 115.31 116.13 1upc h LEU 372 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1upc h LEU 372 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1upc h LEU 372 CO -0.03 0.21 -0.41 0.00 0.09 0.00 0.00 178.44 178.30 1upc n ALA 373 N -2.37 3.42 -1.11 1.53 0.00 -0.79 -4.76 120.51 116.42 1upc n ALA 373 Ca -0.02 -0.53 -0.40 0.00 0.00 0.00 0.00 53.44 52.49 1upc n ALA 373 Cb 0.30 -0.95 -0.11 0.00 0.00 0.00 0.00 19.45 18.70 1upc n ALA 373 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1upc n ASP 374 N -0.41 0.41 -0.09 0.00 -0.08 -1.01 -4.77 116.55 110.60 1upc n ASP 374 Ca 0.10 0.33 0.13 0.00 -1.51 0.00 0.00 54.79 53.85 1upc n ASP 374 Cb 0.41 -0.73 0.46 0.00 2.34 0.00 0.00 41.12 43.60 1upc n ASP 374 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1upc n PRO 375 N 6.42 0.41 -1.26 -0.67 -0.04 -1.26 -4.93 135.00 133.66 1upc n PRO 375 Ca 0.49 -0.18 -0.34 0.00 -0.04 0.00 0.00 63.50 63.42 1upc n PRO 375 Cb -0.00 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.07 1upc n PRO 375 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1upc s GLU 376 N -2.72 1.85 -0.15 0.54 2.12 -1.26 -5.03 118.70 114.05 1upc s GLU 376 Ca 0.20 1.83 -0.02 0.00 0.36 0.00 0.00 54.97 57.35 1upc s GLU 376 Cb 0.19 -1.79 -0.02 0.00 0.26 0.00 0.00 34.13 32.77 1upc s GLU 376 CO 0.56 -2.07 -0.10 0.99 -0.54 0.00 0.00 175.26 174.10 1upc s THR 377 N -1.97 3.31 0.10 -1.70 2.01 -1.26 -5.03 115.64 111.09 1upc s THR 377 Ca 0.75 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 62.21 1upc s THR 377 Cb -0.31 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1upc s THR 377 CO 0.48 0.50 0.19 -0.31 -0.69 0.00 0.00 174.62 174.80 1upc s TYR 378 N 0.49 3.39 0.03 4.92 1.51 -1.26 -5.03 117.35 121.40 1upc s TYR 378 Ca -0.07 0.14 -0.23 0.00 -1.01 0.00 0.00 57.07 55.90 1upc s TYR 378 Cb -0.15 -1.67 -0.13 0.00 -0.11 0.00 0.00 41.96 39.90 1upc s TYR 378 CO 0.04 0.55 1.28 1.05 -1.11 0.00 0.00 175.55 177.35 1upc h GLU 379 N 2.76 -0.80 0.00 -0.62 9.09 -2.02 -3.41 114.58 119.58 1upc h GLU 379 Ca -0.47 0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.00 1upc h GLU 379 Cb 1.18 0.18 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 1upc h GLU 379 CO 0.70 -0.53 0.00 -0.40 0.05 0.00 0.00 179.01 178.83 1upc n ASP 380 N -4.34 0.00 0.00 3.06 5.68 -1.26 -5.01 116.55 114.67 1upc n ASP 380 Ca -0.10 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.19 1upc n ASP 380 Cb 0.33 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 1upc n ASP 380 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1upc n GLY 381 N 0.00 5.49 3.92 6.12 0.00 -1.26 -4.96 105.19 114.50 1upc n GLY 381 Ca 0.00 -1.95 -0.26 0.00 0.00 0.00 0.00 46.02 43.81 1upc n GLY 381 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1upc s MET 382 N 1.92 2.60 0.01 1.61 -1.94 -0.12 -4.16 119.30 119.22 1upc s MET 382 Ca 0.00 -0.14 -0.01 0.00 -1.71 0.00 0.00 55.69 53.83 1upc s MET 382 Cb 0.00 -2.24 -0.04 0.00 2.01 0.00 0.00 34.83 34.56 1upc s MET 382 CO 0.00 -0.93 0.12 1.03 -0.01 0.00 0.00 175.02 175.23 1upc s ARG 383 N -5.09 3.17 0.30 2.03 1.81 -1.26 -2.60 118.95 117.31 1upc s ARG 383 Ca 0.57 -0.46 -0.01 0.00 -1.72 0.00 0.00 55.73 54.11 1upc s ARG 383 Cb -0.11 -2.92 0.46 0.00 -0.45 0.00 0.00 34.95 31.93 1upc s ARG 383 CO 0.45 0.64 1.91 0.28 -0.68 0.00 0.00 175.30 177.90 1upc h VAL 384 N 2.94 1.21 -0.37 3.52 2.07 -1.98 -0.87 116.25 122.76 1upc h VAL 384 Ca -0.48 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 1upc h VAL 384 Cb 1.18 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1upc h VAL 384 CO 0.66 0.24 0.11 1.12 0.02 0.00 0.00 177.57 179.71 1upc h HIS 385 N 0.93 0.54 -0.21 1.57 2.07 -1.95 -0.39 115.15 117.72 1upc h HIS 385 Ca 0.23 -0.03 -0.10 0.00 -2.85 0.00 0.00 60.37 57.63 1upc h HIS 385 Cb 0.06 -0.17 -0.01 0.00 2.57 0.00 0.00 27.41 29.86 1upc h HIS 385 CO 0.01 0.46 -0.28 1.96 -3.07 0.00 0.00 177.93 177.01 1upc h GLN 386 N 0.53 0.41 -0.39 5.12 4.20 -1.41 -2.11 115.11 121.47 1upc h GLN 386 Ca 0.13 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 1upc h GLN 386 Cb 0.18 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1upc h GLN 386 CO -0.01 0.66 -0.04 0.28 -0.67 0.00 0.00 178.83 179.05 1upc h VAL 387 N 0.36 1.27 -0.26 -0.54 2.07 -0.71 -2.20 116.25 116.24 1upc h VAL 387 Ca 0.05 -1.08 -0.18 0.00 0.82 0.00 0.00 66.70 66.31 1upc h VAL 387 Cb 0.69 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1upc h VAL 387 CO 0.05 0.36 -0.55 0.40 0.02 0.00 0.00 177.57 177.85 1upc h ILE 388 N 0.52 1.29 -0.62 4.57 2.04 -1.09 -0.97 117.51 123.25 1upc h ILE 388 Ca 0.10 -1.75 0.06 0.00 1.00 0.00 0.00 64.86 64.27 1upc h ILE 388 Cb 0.53 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 38.23 1upc h ILE 388 CO 0.03 0.56 0.34 -0.78 0.00 0.00 0.00 178.15 178.30 1upc h ASP 389 N 0.61 0.49 -0.65 1.72 3.58 -1.39 0.30 116.42 121.08 1upc h ASP 389 Ca 0.01 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 1upc h ASP 389 Cb 1.14 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 42.10 1upc h ASP 389 CO 0.12 0.32 0.23 0.28 -2.88 0.00 0.00 179.24 177.31 1upc h SER 390 N 0.63 0.92 -0.73 2.28 0.02 -1.14 -1.93 113.55 113.60 1upc h SER 390 Ca 0.28 -0.19 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1upc h SER 390 Cb 0.17 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 1upc h SER 390 CO -0.18 0.86 0.48 0.24 -1.14 0.00 0.00 176.83 177.10 1upc h MET 391 N 0.92 0.95 -0.21 3.45 2.86 -0.50 -2.69 114.93 119.71 1upc h MET 391 Ca 0.21 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1upc h MET 391 Cb 0.25 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1upc h MET 391 CO -0.01 0.63 0.12 -0.91 1.06 0.00 0.00 176.91 177.80 1upc h ASN 392 N 0.98 0.26 -0.40 1.22 2.35 -0.05 -0.19 115.58 119.75 1upc h ASN 392 Ca 0.27 -0.07 0.06 0.00 -0.55 0.00 0.00 56.30 56.02 1upc h ASN 392 Cb -0.10 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.15 1upc h ASN 392 CO -0.06 0.25 0.06 0.74 -1.65 0.00 0.00 177.43 176.77 1upc h THR 393 N 0.24 0.77 0.03 2.81 2.02 -1.25 -0.81 112.91 116.71 1upc h THR 393 Ca 0.08 -0.06 -0.21 0.00 0.77 0.00 0.00 66.41 66.98 1upc h THR 393 Cb 0.05 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1upc h THR 393 CO -0.01 0.03 -0.98 0.58 0.37 0.00 0.00 175.52 175.51 1upc h VAL 394 N 0.18 1.58 -0.50 3.16 2.07 -1.31 -2.85 116.25 118.57 1upc h VAL 394 Ca 0.19 -2.98 -0.01 0.00 0.82 0.00 0.00 66.70 64.72 1upc h VAL 394 Cb 0.24 2.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 1upc h VAL 394 CO -0.27 0.86 0.26 -0.03 0.02 0.00 0.00 177.57 178.41 1upc h MET 395 N 0.05 0.70 0.00 1.57 -1.53 -0.79 -0.91 114.93 114.03 1upc h MET 395 Ca -0.05 -0.09 -0.02 0.00 -3.44 0.00 0.00 59.70 56.10 1upc h MET 395 Cb 1.67 -0.13 -0.00 0.00 -0.55 0.00 0.00 31.60 32.58 1upc h MET 395 CO 0.14 0.57 -0.10 1.49 0.14 0.00 0.00 176.91 179.15 1upc h GLU 396 N 0.66 0.00 0.01 0.39 4.81 -1.11 -1.76 114.58 117.58 1upc h GLU 396 Ca 0.17 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 1upc h GLU 396 Cb 0.08 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.47 1upc h GLU 396 CO -0.03 0.10 -0.46 0.93 -0.73 0.00 0.00 179.01 178.82 1upc h GLU 397 N 0.00 0.29 0.00 1.92 5.08 -1.24 -3.37 114.58 117.26 1upc h GLU 397 Ca -0.00 -0.33 -0.19 0.00 -1.00 0.00 0.00 59.36 57.84 1upc h GLU 397 Cb 0.18 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1upc h GLU 397 CO 0.01 1.04 -0.84 0.00 -1.00 0.00 0.00 179.01 178.22 1upc h ALA 398 N 0.26 0.58 -2.71 3.43 0.00 -0.92 -3.45 119.26 116.45 1upc h ALA 398 Ca -0.06 -0.72 -0.62 0.00 0.00 0.00 0.00 54.91 53.51 1upc h ALA 398 Cb 1.21 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1upc h ALA 398 CO 0.09 0.94 -0.25 0.00 0.00 0.00 0.00 179.25 180.03 1upc s ALA 399 N -3.21 3.71 0.77 0.00 0.00 -0.68 -4.82 121.76 117.53 1upc s ALA 399 Ca -0.02 -0.30 -0.15 0.00 0.00 0.00 0.00 51.96 51.49 1upc s ALA 399 Cb 0.11 -2.33 -0.01 0.00 0.00 0.00 0.00 23.12 20.89 1upc s ALA 399 CO 0.81 0.45 0.65 0.39 0.00 0.00 0.00 175.76 178.07 1upc n GLU 400 N 2.05 0.22 -1.77 0.00 -0.58 -1.26 -4.86 120.64 114.45 1upc n GLU 400 Ca -0.14 0.13 -0.41 0.00 -0.42 0.00 0.00 57.16 56.31 1upc n GLU 400 Cb 0.53 -1.96 -0.00 0.00 -0.57 0.00 0.00 31.44 29.43 1upc n GLU 400 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1upc n PRO 401 N -1.35 2.67 -1.24 3.49 -0.04 -1.26 -2.20 135.00 135.08 1upc n PRO 401 Ca 0.10 0.94 -0.08 0.00 -0.04 0.00 0.00 63.50 64.42 1upc n PRO 401 Cb 0.50 -2.68 -0.03 0.00 -0.04 0.00 0.00 33.50 31.25 1upc n PRO 401 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1upc n GLY 402 N 0.79 1.00 3.43 0.55 0.00 -1.26 -5.02 105.19 104.68 1upc n GLY 402 Ca 0.03 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 1upc n GLY 402 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upc s GLU 403 N -2.56 1.74 0.00 1.61 2.02 -0.93 -4.49 118.70 116.09 1upc s GLU 403 Ca 0.00 -2.02 0.00 0.00 0.02 0.00 0.00 54.97 52.97 1upc s GLU 403 Cb 0.00 -0.48 0.00 0.00 0.10 0.00 0.00 34.13 33.75 1upc s GLU 403 CO 0.00 -0.40 0.00 0.41 0.02 0.00 0.00 175.26 175.29 1upc n GLY 404 N -0.74 0.59 2.87 -1.39 0.00 -1.26 -4.71 105.19 100.55 1upc n GLY 404 Ca -0.03 -1.60 -0.21 0.00 0.00 0.00 0.00 46.02 44.19 1upc n GLY 404 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1upc s THR 405 N -2.65 0.53 -0.21 2.61 2.01 -0.81 -4.59 115.64 112.54 1upc s THR 405 Ca 0.00 -0.08 -0.08 0.00 0.31 0.00 0.00 61.69 61.84 1upc s THR 405 Cb 0.00 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 1upc s THR 405 CO 0.00 0.24 0.07 -0.63 -0.69 0.00 0.00 174.62 173.61 1upc s ILE 406 N 1.15 4.68 -0.09 1.82 1.01 -0.32 -1.43 121.20 128.01 1upc s ILE 406 Ca -0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 1upc s ILE 406 Cb -0.14 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 1upc s ILE 406 CO -0.01 0.41 -0.04 -0.69 0.00 0.00 0.00 174.94 174.61 1upc s VAL 407 N 0.82 3.95 -0.05 2.92 1.01 0.65 -1.20 120.40 128.50 1upc s VAL 407 Ca 0.04 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1upc s VAL 407 Cb -0.13 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1upc s VAL 407 CO 0.02 0.58 -0.20 -0.55 0.00 0.00 0.00 175.10 174.95 1upc s SER 408 N -0.58 2.48 0.10 3.32 0.15 -0.10 -0.39 113.70 118.68 1upc s SER 408 Ca 0.09 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.33 1upc s SER 408 Cb -0.12 -0.70 0.00 0.00 -1.71 0.00 0.00 66.02 63.50 1upc s SER 408 CO 0.02 0.18 0.00 -0.67 1.20 0.00 0.00 173.24 173.97 1upc n ASP 409 N 3.09 -0.04 -4.41 5.45 -0.08 -0.08 -4.45 116.55 116.02 1upc n ASP 409 Ca -0.18 -0.08 -0.31 0.00 -1.51 0.00 0.00 54.79 52.71 1upc n ASP 409 Cb 0.53 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.85 1upc n ASP 409 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1upc s ILE 410 N -0.10 2.59 -5.00 5.18 -1.09 -1.26 -4.65 121.20 116.88 1upc s ILE 410 Ca 0.00 -1.09 0.00 0.00 -2.23 0.00 0.00 60.65 57.33 1upc s ILE 410 Cb 0.00 -2.02 0.00 0.00 -1.58 0.00 0.00 42.46 38.86 1upc s ILE 410 CO 0.00 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.78 1upc n GLY 411 N 1.96 -1.55 0.35 6.18 0.00 -1.26 -4.65 105.19 106.22 1upc n GLY 411 Ca -0.16 -1.50 0.05 0.00 0.00 0.00 0.00 46.02 44.41 1upc n GLY 411 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1upc h PHE 412 N 0.00 1.06 0.00 1.61 3.57 -1.93 -2.49 116.94 118.76 1upc h PHE 412 Ca 0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1upc h PHE 412 Cb 0.00 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.40 1upc h PHE 412 CO 0.00 0.43 -0.13 0.27 -2.23 0.00 0.00 178.31 176.65 1upc h PHE 413 N 0.95 0.00 -0.80 0.41 -0.00 -1.96 -2.56 116.94 112.98 1upc h PHE 413 Ca 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 58.42 1upc h PHE 413 Cb 0.43 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 36.34 1upc h PHE 413 CO -0.02 0.13 0.45 -0.09 -0.00 0.00 0.00 178.31 178.78 1upc h ARG 414 N 0.00 1.10 0.00 6.09 1.12 -1.71 -0.93 114.38 120.06 1upc h ARG 414 Ca -0.00 -0.11 -0.03 0.00 -1.11 0.00 0.00 59.98 58.72 1upc h ARG 414 Cb 0.24 -0.22 -0.00 0.00 -0.01 0.00 0.00 29.97 29.98 1upc h ARG 414 CO 0.02 0.80 -0.14 0.45 -3.11 0.00 0.00 179.97 177.99 1upc h HIS 415 N 1.12 0.00 -0.46 2.20 3.86 -1.56 -1.07 115.15 119.23 1upc h HIS 415 Ca 0.29 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.38 1upc h HIS 415 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1upc h HIS 415 CO 0.01 0.14 -0.15 1.88 0.86 0.00 0.00 177.93 180.66 1upc h TYR 416 N 0.00 1.04 -0.82 2.45 -1.99 -1.29 -2.67 116.97 113.70 1upc h TYR 416 Ca -0.00 -0.24 0.11 0.00 2.00 0.00 0.00 58.73 60.60 1upc h TYR 416 Cb 0.49 -0.25 -0.08 0.00 2.00 0.00 0.00 36.73 38.89 1upc h TYR 416 CO 0.00 1.03 0.45 0.78 -0.00 0.00 0.00 178.16 180.42 1upc h GLY 417 N 0.76 1.29 0.93 3.88 0.00 -0.31 0.08 103.07 109.71 1upc h GLY 417 Ca 0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1upc h GLY 417 CO 0.05 0.08 0.03 -2.08 0.00 0.00 0.00 176.54 174.62 1upc h VAL 418 N 0.73 1.07 -0.35 4.60 2.07 -1.08 0.05 116.25 123.33 1upc h VAL 418 Ca 0.41 -0.20 -0.13 0.00 0.82 0.00 0.00 66.70 67.60 1upc h VAL 418 Cb 0.45 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1upc h VAL 418 CO -0.28 0.06 -0.32 -0.07 0.02 0.00 0.00 177.57 176.98 1upc h LEU 419 N -0.00 0.81 0.00 2.57 3.38 -1.28 -3.40 115.31 117.39 1upc h LEU 419 Ca 0.02 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 1upc h LEU 419 Cb 0.07 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1upc h LEU 419 CO -0.00 1.06 -1.31 0.49 0.09 0.00 0.00 178.44 178.77 1upc n PHE 420 N -4.07 0.00 -2.42 1.13 3.72 -0.00 -4.93 117.46 110.89 1upc n PHE 420 Ca -0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.98 1upc n PHE 420 Cb 0.49 -0.17 -0.04 0.00 -0.94 0.00 0.00 39.48 38.82 1upc n PHE 420 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1upc s ALA 421 N -2.36 3.42 0.15 4.37 0.00 -0.01 -4.85 121.76 122.49 1upc s ALA 421 Ca -0.02 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 1upc s ALA 421 Cb 0.03 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 1upc s ALA 421 CO 0.25 -0.28 1.05 0.50 0.00 0.00 0.00 175.76 177.28 1upc s ARG 422 N -0.79 4.62 -0.16 0.00 3.52 -1.26 -4.96 118.95 119.92 1upc s ARG 422 Ca 0.49 1.62 -0.03 0.00 -0.13 0.00 0.00 55.73 57.68 1upc s ARG 422 Cb -0.32 -3.32 0.05 0.00 -1.56 0.00 0.00 34.95 29.80 1upc s ARG 422 CO 0.39 0.11 0.03 0.00 -0.81 0.00 0.00 175.30 175.02 1upc s ALA 423 N -0.08 0.89 -1.67 6.12 0.00 -1.26 -4.60 121.76 121.15 1upc s ALA 423 Ca 0.49 -0.53 0.17 0.00 0.00 0.00 0.00 51.96 52.09 1upc s ALA 423 Cb -0.27 -1.06 0.36 0.00 0.00 0.00 0.00 23.12 22.15 1upc s ALA 423 CO 0.33 -0.99 1.28 -3.47 0.00 0.00 0.00 175.76 172.90 1upc n ASP 424 N 5.09 3.11 -3.86 0.00 2.03 -1.26 -4.15 116.55 117.52 1upc n ASP 424 Ca -0.08 -1.91 -0.09 0.00 0.52 0.00 0.00 54.79 53.22 1upc n ASP 424 Cb 0.48 -0.24 -0.06 0.00 -0.72 0.00 0.00 41.12 40.58 1upc n ASP 424 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1upc s GLN 425 N -1.14 1.13 0.34 -0.67 -2.07 -1.26 -4.24 119.66 111.75 1upc s GLN 425 Ca 0.31 -1.02 -0.29 0.00 -1.82 0.00 0.00 55.36 52.54 1upc s GLN 425 Cb 0.17 0.41 -0.11 0.00 -1.09 0.00 0.00 33.01 32.39 1upc s GLN 425 CO 0.24 -0.42 1.52 -2.30 -1.32 0.00 0.00 175.29 173.00 1upc n PRO 426 N -0.21 2.64 -2.27 9.60 -0.02 -1.14 -1.12 135.00 142.48 1upc n PRO 426 Ca -0.10 0.93 -0.21 0.00 -2.02 0.00 0.00 63.50 62.10 1upc n PRO 426 Cb 0.63 -2.67 -0.02 0.00 -0.02 0.00 0.00 33.50 31.41 1upc n PRO 426 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1upc n PHE 427 N 1.13 -0.84 0.16 6.00 3.72 -1.24 -4.88 117.46 121.51 1upc n PHE 427 Ca 0.05 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.48 1upc n PHE 427 Cb 0.38 -3.91 0.20 0.00 -0.94 0.00 0.00 39.48 35.21 1upc n PHE 427 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1upc h GLY 428 N 0.00 0.00 -5.99 1.37 0.00 -1.30 -3.41 103.07 93.74 1upc h GLY 428 Ca -0.49 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.17 1upc h GLY 428 CO 0.59 0.00 -0.84 -0.12 0.00 0.00 0.00 176.54 176.18 1upc s PHE 429 N -3.33 2.77 -0.14 5.60 5.36 -1.26 -1.17 117.98 125.81 1upc s PHE 429 Ca 0.01 -1.35 0.02 0.00 -0.96 0.00 0.00 56.93 54.65 1upc s PHE 429 Cb 0.10 -1.90 0.02 0.00 -0.34 0.00 0.00 43.02 40.89 1upc s PHE 429 CO 0.72 -0.65 -0.19 -0.51 -1.46 0.00 0.00 175.22 173.13 1upc s LEU 430 N 1.06 1.95 0.30 6.12 1.02 -0.34 -4.54 118.68 124.24 1upc s LEU 430 Ca -0.01 -0.55 -0.06 0.00 0.02 0.00 0.00 54.13 53.53 1upc s LEU 430 Cb -0.14 -1.33 -0.00 0.00 0.02 0.00 0.00 46.19 44.74 1upc s LEU 430 CO -0.06 0.02 0.45 0.28 0.02 0.00 0.00 176.35 177.07 1upc s THR 431 N 1.07 0.00 -0.47 5.49 -1.32 -1.26 -0.92 115.64 118.23 1upc s THR 431 Ca -0.02 -1.56 -0.17 0.00 -1.21 0.00 0.00 61.69 58.72 1upc s THR 431 Cb -0.14 -2.50 0.05 0.00 -1.51 0.00 0.00 72.50 68.40 1upc s THR 431 CO -0.06 0.00 0.50 -0.55 -2.21 0.00 0.00 174.62 172.30 1upc s SER 432 N -3.16 6.19 0.06 8.08 0.15 -1.26 -4.89 113.70 118.87 1upc s SER 432 Ca 0.28 -0.96 -0.03 0.00 0.70 0.00 0.00 55.95 55.94 1upc s SER 432 Cb 0.00 -2.24 -0.27 0.00 -1.71 0.00 0.00 66.02 61.80 1upc s SER 432 CO 0.16 -0.72 1.07 0.00 1.20 0.00 0.00 173.24 174.95 1upc h ALA 433 N 8.84 0.18 0.03 5.45 0.00 -1.91 -3.31 119.26 128.54 1upc h ALA 433 Ca -0.27 -0.96 -0.37 0.00 0.00 0.00 0.00 54.91 53.30 1upc h ALA 433 Cb 1.10 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1upc h ALA 433 CO 0.89 1.05 -2.15 0.41 0.00 0.00 0.00 179.25 179.45 1upc n GLY 434 N 1.55 -0.52 0.14 0.00 0.00 -1.23 -4.60 105.19 100.53 1upc n GLY 434 Ca -0.10 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 1upc n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upc n SER 436 N -3.82 -4.05 -4.70 0.00 7.64 -1.25 -4.96 113.62 102.49 1upc n SER 436 Ca -0.51 -0.55 -0.42 0.00 1.01 0.00 0.00 58.87 58.40 1upc n SER 436 Cb 0.93 -4.83 -0.03 0.00 -1.01 0.00 0.00 64.21 59.27 1upc n SER 436 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1upc s SER 437 N -3.80 6.99 0.68 6.43 0.15 -1.26 -4.96 113.70 117.93 1upc s SER 437 Ca 0.27 1.97 -0.17 0.00 0.70 0.00 0.00 55.95 58.72 1upc s SER 437 Cb -0.12 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1upc s SER 437 CO 0.69 -0.60 1.18 2.22 1.20 0.00 0.00 173.24 177.93 1upc n PHE 438 N 4.88 1.46 0.00 3.44 -1.74 -1.26 -2.74 117.46 121.50 1upc n PHE 438 Ca 0.11 0.42 0.00 0.00 -0.56 0.00 0.00 57.45 57.42 1upc n PHE 438 Cb 0.45 -2.19 0.00 0.00 1.52 0.00 0.00 39.48 39.26 1upc n PHE 438 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1upc n GLY 439 N 0.95 1.30 0.31 4.97 0.00 -1.12 -4.92 105.19 106.69 1upc n GLY 439 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 1upc n GLY 439 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1upc h TYR 440 N 0.00 0.26 -0.06 1.61 3.20 -1.83 -3.32 116.97 116.82 1upc h TYR 440 Ca 0.00 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.91 1upc h TYR 440 Cb 0.00 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.12 1upc h TYR 440 CO 0.00 0.14 -0.46 0.78 -1.64 0.00 0.00 178.16 176.98 1upc h GLY 441 N 0.26 -0.87 0.50 1.82 0.00 -1.87 -1.55 103.07 101.37 1upc h GLY 441 Ca 0.14 0.57 -0.00 0.00 0.00 0.00 0.00 47.33 48.04 1upc h GLY 441 CO -0.03 -0.23 -0.42 -2.22 0.00 0.00 0.00 176.54 173.64 1upc h ILE 442 N -0.57 0.16 -0.58 2.60 2.04 -1.92 -0.39 117.51 118.84 1upc h ILE 442 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1upc h ILE 442 Cb 0.67 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1upc h ILE 442 CO -0.37 0.00 0.38 1.55 0.00 0.00 0.00 178.15 179.71 1upc h PRO 443 N -0.80 0.77 -0.53 2.37 0.13 -1.75 -0.95 132.00 131.24 1upc h PRO 443 Ca -0.02 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.98 1upc h PRO 443 Cb 0.74 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 1upc h PRO 443 CO -0.11 0.51 0.02 0.00 -0.23 0.00 0.00 178.00 178.19 1upc h ALA 444 N 1.63 1.03 -0.37 -0.56 0.00 -1.06 -1.67 119.26 118.26 1upc h ALA 444 Ca 0.21 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1upc h ALA 444 Cb -0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1upc h ALA 444 CO -0.05 0.61 -0.22 0.00 0.00 0.00 0.00 179.25 179.59 1upc h ALA 445 N 1.19 0.93 -0.17 0.00 0.00 -0.43 -0.09 119.26 120.68 1upc h ALA 445 Ca 0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1upc h ALA 445 Cb 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1upc h ALA 445 CO 0.02 0.61 0.08 0.82 0.00 0.00 0.00 179.25 180.79 1upc h ILE 446 N 0.63 1.13 -0.50 0.00 2.04 -0.98 -0.93 117.51 118.91 1upc h ILE 446 Ca 0.09 -0.39 -0.09 0.00 1.00 0.00 0.00 64.86 65.47 1upc h ILE 446 Cb 0.71 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1upc h ILE 446 CO 0.05 0.13 -0.05 1.23 0.00 0.00 0.00 178.15 179.51 1upc h GLY 447 N 0.15 0.99 1.00 5.37 0.00 -1.15 -1.74 103.07 107.69 1upc h GLY 447 Ca 0.06 -0.76 -0.06 0.00 0.00 0.00 0.00 47.33 46.57 1upc h GLY 447 CO -0.01 0.70 0.09 0.00 0.00 0.00 0.00 176.54 177.32 1upc h ALA 448 N 0.92 0.69 -0.06 3.60 0.00 -0.96 -1.42 119.26 122.04 1upc h ALA 448 Ca 0.14 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1upc h ALA 448 Cb 0.58 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1upc h ALA 448 CO 0.03 0.43 -0.51 0.37 0.00 0.00 0.00 179.25 179.57 1upc h GLN 449 N 0.74 0.16 -0.02 0.00 5.75 -1.10 -0.11 115.11 120.54 1upc h GLN 449 Ca 0.16 -0.09 -0.17 0.00 -0.15 0.00 0.00 58.65 58.40 1upc h GLN 449 Cb 0.40 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 1upc h GLN 449 CO 0.01 0.64 -0.74 0.52 -2.65 0.00 0.00 178.83 176.60 1upc h MET 450 N 0.13 0.12 0.00 1.69 2.86 -1.15 -2.62 114.93 115.96 1upc h MET 450 Ca 0.00 -0.11 -0.19 0.00 -2.06 0.00 0.00 59.70 57.34 1upc h MET 450 Cb 0.95 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 1upc h MET 450 CO 0.08 0.81 -0.87 0.00 1.06 0.00 0.00 176.91 177.99 1upc h ALA 451 N 1.16 0.54 -2.15 6.32 0.00 -0.95 -3.36 119.26 120.82 1upc h ALA 451 Ca -0.02 -0.72 -0.58 0.00 0.00 0.00 0.00 54.91 53.59 1upc h ALA 451 Cb 1.31 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 18.61 1upc h ALA 451 CO 0.11 0.92 -0.77 0.54 0.00 0.00 0.00 179.25 180.05 1upc n ARG 452 N -3.65 2.15 0.28 0.00 1.74 -0.08 -4.97 116.66 112.12 1upc n ARG 452 Ca -0.03 -4.28 0.13 0.00 -0.77 0.00 0.00 57.85 52.90 1upc n ARG 452 Cb 0.80 -1.97 0.81 0.00 -1.02 0.00 0.00 32.46 31.07 1upc n ARG 452 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1upc h PRO 453 N 3.75 0.00 -0.67 5.56 0.13 -1.62 -2.05 132.00 137.09 1upc h PRO 453 Ca 0.15 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 65.01 1upc h PRO 453 Cb 0.70 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.68 1upc h PRO 453 CO 0.72 0.00 0.27 -0.25 -0.23 0.00 0.00 178.00 178.51 1upc n ASP 454 N -4.11 3.94 -4.25 1.44 8.00 -1.26 -4.96 116.55 115.35 1upc n ASP 454 Ca -0.03 -3.42 -0.26 0.00 0.71 0.00 0.00 54.79 51.79 1upc n ASP 454 Cb 0.10 -0.72 -0.14 0.00 -0.02 0.00 0.00 41.12 40.33 1upc n ASP 454 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1upc s GLN 455 N -3.11 1.47 0.39 -1.24 -0.21 -0.77 -4.98 119.66 111.20 1upc s GLN 455 Ca 0.52 -0.91 -0.28 0.00 0.02 0.00 0.00 55.36 54.71 1upc s GLN 455 Cb 0.43 -1.55 -0.10 0.00 1.00 0.00 0.00 33.01 32.79 1upc s GLN 455 CO 0.09 0.40 1.46 -2.14 -2.12 0.00 0.00 175.29 172.99 1upc s PRO 456 N -1.04 4.04 -0.22 2.91 0.02 -1.26 -4.91 135.00 134.54 1upc s PRO 456 Ca 0.08 2.52 -0.01 0.00 0.02 0.00 0.00 61.00 63.61 1upc s PRO 456 Cb -0.09 -2.91 0.06 0.00 0.02 0.00 0.00 34.50 31.58 1upc s PRO 456 CO 0.01 -0.57 -0.02 0.99 -0.33 0.00 0.00 177.00 177.08 1upc s THR 457 N -1.14 1.12 -0.02 0.99 2.01 -1.26 -1.92 115.64 115.42 1upc s THR 457 Ca 0.54 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.62 1upc s THR 457 Cb -0.45 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 1upc s THR 457 CO 0.61 -0.13 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.02 1upc s PHE 458 N 1.58 3.02 -0.08 4.92 0.08 -0.51 -1.83 117.98 125.15 1upc s PHE 458 Ca -0.04 0.06 0.04 0.00 0.12 0.00 0.00 56.93 57.11 1upc s PHE 458 Cb -0.18 -1.68 0.00 0.00 -0.57 0.00 0.00 43.02 40.60 1upc s PHE 458 CO -0.07 0.42 -0.20 -1.17 -0.10 0.00 0.00 175.22 174.10 1upc s LEU 459 N -1.30 1.93 -0.07 -0.37 2.96 -0.32 -0.25 118.68 121.26 1upc s LEU 459 Ca 0.17 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.65 1upc s LEU 459 Cb -0.11 -1.18 -0.02 0.00 0.50 0.00 0.00 46.19 45.37 1upc s LEU 459 CO 0.07 0.12 -0.14 -0.51 -1.32 0.00 0.00 176.35 174.57 1upc s ILE 460 N 0.40 3.03 -0.01 6.68 2.07 0.48 -0.52 121.20 133.33 1upc s ILE 460 Ca -0.16 -0.72 -0.20 0.00 -1.41 0.00 0.00 60.65 58.16 1upc s ILE 460 Cb -0.17 -2.20 0.04 0.00 0.13 0.00 0.00 42.46 40.26 1upc s ILE 460 CO 0.07 0.58 0.43 0.00 -1.91 0.00 0.00 174.94 174.10 1upc s ALA 461 N -0.46 -1.09 0.58 1.50 0.00 -0.90 -0.90 121.76 120.48 1upc s ALA 461 Ca 0.06 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.60 1upc s ALA 461 Cb -0.12 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.17 1upc s ALA 461 CO 0.02 -0.34 0.81 0.20 0.00 0.00 0.00 175.76 176.45 1upc s GLY 462 N -1.45 1.81 0.12 0.00 0.00 -1.26 -1.00 107.32 105.54 1upc s GLY 462 Ca -0.11 -1.35 -0.14 0.00 0.00 0.00 0.00 44.72 43.12 1upc s GLY 462 CO 0.04 -1.03 1.52 1.29 0.00 0.00 0.00 173.10 174.92 1upc h ASP 463 N -0.03 0.77 0.07 1.64 2.03 -1.83 0.84 116.42 119.92 1upc h ASP 463 Ca -0.41 -0.38 -0.00 0.00 -0.73 0.00 0.00 57.03 55.50 1upc h ASP 463 Cb 1.29 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 1upc h ASP 463 CO 0.51 0.97 -0.03 1.23 -1.03 0.00 0.00 179.24 180.89 1upc h GLY 464 N 0.56 -0.10 0.65 7.15 0.00 -1.91 -1.51 103.07 107.92 1upc h GLY 464 Ca 0.09 0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.36 1upc h GLY 464 CO 0.04 -0.04 -0.37 -1.33 0.00 0.00 0.00 176.54 174.85 1upc h GLY 465 N -0.11 0.34 0.93 4.60 0.00 -1.82 -2.42 103.07 104.59 1upc h GLY 465 Ca -0.01 -0.54 0.02 0.00 0.00 0.00 0.00 47.33 46.80 1upc h GLY 465 CO 0.02 0.48 0.29 -2.75 0.00 0.00 0.00 176.54 174.57 1upc h PHE 466 N -0.23 0.54 0.00 5.60 3.57 -0.85 -2.25 116.94 123.33 1upc h PHE 466 Ca -0.04 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 1upc h PHE 466 Cb 1.06 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1upc h PHE 466 CO 0.15 0.32 -0.40 1.25 -2.23 0.00 0.00 178.31 177.40 1upc h HIS 467 N 0.58 0.00 -0.24 0.41 2.76 -1.33 -0.47 115.15 116.86 1upc h HIS 467 Ca 0.18 0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.42 1upc h HIS 467 Cb -0.01 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 1upc h HIS 467 CO -0.06 0.40 0.35 0.66 -1.30 0.00 0.00 177.93 177.97 1upc h SER 468 N 0.00 0.00 0.00 3.26 4.64 -0.88 -3.08 113.55 117.49 1upc h SER 468 Ca -0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.15 1upc h SER 468 Cb 0.80 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.55 1upc h SER 468 CO 0.05 0.00 -0.96 -3.20 -0.87 0.00 0.00 176.83 171.85 1upc n ASN 469 N -3.50 0.84 0.23 4.97 5.15 -0.95 -4.92 115.26 117.08 1upc n ASN 469 Ca 0.03 -2.00 0.10 0.00 -0.60 0.00 0.00 54.58 52.12 1upc n ASN 469 Cb 0.48 -0.27 0.56 0.00 -0.53 0.00 0.00 39.78 40.02 1upc n ASN 469 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1upc h SER 470 N 0.87 0.00 -0.31 1.20 4.64 -1.00 -3.26 113.55 115.70 1upc h SER 470 Ca -0.22 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.19 1upc h SER 470 Cb 1.83 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.91 1upc h SER 470 CO 0.08 0.21 0.24 0.28 -0.87 0.00 0.00 176.83 176.76 1upc h SER 471 N 0.00 0.00 0.00 4.97 0.02 -1.87 -0.03 113.55 116.64 1upc h SER 471 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1upc h SER 471 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1upc h SER 471 CO 0.03 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.19 1upc n ASP 472 N -4.26 0.00 -0.26 3.07 8.00 -1.23 -2.07 116.55 119.79 1upc n ASP 472 Ca 0.04 -1.20 0.15 0.00 0.71 0.00 0.00 54.79 54.50 1upc n ASP 472 Cb 0.40 0.00 0.44 0.00 -0.02 0.00 0.00 41.12 41.94 1upc n ASP 472 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1upc h LEU 473 N 0.00 0.55 -1.12 0.64 3.38 -1.25 -1.86 115.31 115.65 1upc h LEU 473 Ca 0.00 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1upc h LEU 473 Cb 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1upc h LEU 473 CO 0.00 0.24 -0.28 -0.08 0.09 0.00 0.00 178.44 178.41 1upc h GLU 474 N 0.56 0.26 -0.30 1.13 4.22 -1.60 -2.34 114.58 116.51 1upc h GLU 474 Ca 0.47 -0.09 -0.12 0.00 0.08 0.00 0.00 59.36 59.70 1upc h GLU 474 Cb 0.95 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1upc h GLU 474 CO -0.21 0.53 -0.30 1.15 -2.18 0.00 0.00 179.01 178.00 1upc h THR 475 N 0.24 1.28 -0.72 0.32 2.02 -1.56 -0.07 112.91 114.41 1upc h THR 475 Ca 0.04 -1.41 0.01 0.00 0.77 0.00 0.00 66.41 65.81 1upc h THR 475 Cb 0.62 1.37 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 1upc h THR 475 CO 0.05 0.45 0.48 0.40 0.37 0.00 0.00 175.52 177.27 1upc h ILE 476 N 0.54 1.18 -0.23 3.11 2.04 -1.04 -2.06 117.51 121.05 1upc h ILE 476 Ca 0.07 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.48 1upc h ILE 476 Cb 0.78 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1upc h ILE 476 CO 0.06 0.18 -0.28 0.00 0.00 0.00 0.00 178.15 178.11 1upc h ALA 477 N 1.26 0.35 -0.78 1.87 0.00 -1.02 -1.23 119.26 119.71 1upc h ALA 477 Ca 0.26 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1upc h ALA 477 Cb -0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1upc h ALA 477 CO -0.06 0.35 0.52 -0.09 0.00 0.00 0.00 179.25 179.97 1upc h ARG 478 N 0.30 0.98 -0.00 0.00 2.43 -0.89 -2.53 114.38 114.67 1upc h ARG 478 Ca 0.03 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1upc h ARG 478 Cb 0.85 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1upc h ARG 478 CO 0.07 0.65 -0.52 1.28 -1.51 0.00 0.00 179.97 179.94 1upc n LEU 479 N -4.43 0.79 -3.74 3.80 4.77 -0.79 -4.96 117.00 112.45 1upc n LEU 479 Ca 0.09 -0.18 -0.24 0.00 -0.03 0.00 0.00 56.01 55.65 1upc n LEU 479 Cb 0.07 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1upc n LEU 479 CO 0.36 0.17 -0.11 -3.20 -1.33 0.00 0.00 177.39 173.28 1upc n ASN 480 N -1.21 -2.07 -4.60 -1.43 5.15 -0.49 -4.94 115.26 105.66 1upc n ASN 480 Ca 0.07 -0.90 -0.41 0.00 -0.60 0.00 0.00 54.58 52.74 1upc n ASN 480 Cb 0.34 -3.73 -0.07 0.00 -0.53 0.00 0.00 39.78 35.79 1upc n ASN 480 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1upc s LEU 481 N -6.64 4.14 -0.10 1.20 1.43 -1.04 -4.88 118.68 112.79 1upc s LEU 481 Ca 0.12 0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 53.57 1upc s LEU 481 Cb -0.04 -2.73 -0.22 0.00 0.03 0.00 0.00 46.19 43.23 1upc s LEU 481 CO 0.84 -0.41 3.10 -0.81 0.23 0.00 0.00 176.35 179.30 1upc n PRO 482 N 5.75 1.80 -2.56 1.29 -0.04 -1.26 -3.71 135.00 136.26 1upc n PRO 482 Ca -0.03 -0.93 -0.41 0.00 -0.04 0.00 0.00 63.50 62.10 1upc n PRO 482 Cb 0.49 -1.98 -0.04 0.00 -0.04 0.00 0.00 33.50 31.93 1upc n PRO 482 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1upc s ILE 483 N 1.41 4.12 -0.36 0.52 1.01 -1.26 -4.65 121.20 121.99 1upc s ILE 483 Ca 0.57 1.73 -0.14 0.00 0.00 0.00 0.00 60.65 62.81 1upc s ILE 483 Cb 0.26 -4.10 -0.00 0.00 0.01 0.00 0.00 42.46 38.62 1upc s ILE 483 CO -0.00 0.25 0.26 -0.69 0.00 0.00 0.00 174.94 174.76 1upc s VAL 484 N 0.13 5.26 -0.09 2.92 1.01 -0.76 -1.91 120.40 126.95 1upc s VAL 484 Ca 0.51 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.05 1upc s VAL 484 Cb -0.27 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1upc s VAL 484 CO 0.32 -0.11 0.17 -0.89 0.00 0.00 0.00 175.10 174.59 1upc s THR 485 N 1.71 5.47 -0.15 3.92 2.01 -0.02 -1.17 115.64 127.40 1upc s THR 485 Ca 0.06 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.26 1upc s THR 485 Cb -0.18 -3.44 0.01 0.00 0.01 0.00 0.00 72.50 68.90 1upc s THR 485 CO 0.10 0.56 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.71 1upc s VAL 486 N -1.09 1.94 -0.25 3.82 1.01 0.32 -0.36 120.40 125.79 1upc s VAL 486 Ca 0.18 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 1upc s VAL 486 Cb -0.12 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1upc s VAL 486 CO 0.07 0.52 0.07 -0.69 0.00 0.00 0.00 175.10 175.08 1upc s VAL 487 N 1.03 4.33 -0.40 2.92 1.01 -0.08 -2.11 120.40 127.09 1upc s VAL 487 Ca -0.03 -0.17 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 1upc s VAL 487 Cb -0.14 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.23 1upc s VAL 487 CO -0.06 0.34 0.42 0.68 0.00 0.00 0.00 175.10 176.49 1upc s VAL 488 N 1.59 5.10 -0.15 2.92 -7.23 -0.17 -1.24 120.40 121.22 1upc s VAL 488 Ca 0.06 -0.26 -0.04 0.00 -1.81 0.00 0.00 61.98 59.94 1upc s VAL 488 Cb -0.15 -3.99 -0.03 0.00 0.56 0.00 0.00 36.38 32.77 1upc s VAL 488 CO 0.04 -0.35 -0.03 0.21 -0.31 0.00 0.00 175.10 174.66 1upc s ASN 489 N 1.79 4.88 0.00 4.85 3.84 -0.35 -2.97 114.94 126.98 1upc s ASN 489 Ca 0.12 -0.10 0.00 0.00 0.21 0.00 0.00 52.86 53.10 1upc s ASN 489 Cb -0.17 -1.76 0.00 0.00 -0.55 0.00 0.00 41.25 38.77 1upc s ASN 489 CO 0.13 0.19 0.91 -0.46 -2.79 0.00 0.00 177.10 175.08 1upc n ASN 490 N 3.42 0.00 -2.78 -4.21 6.94 -1.26 -0.75 115.26 116.62 1upc n ASN 490 Ca -0.17 -1.82 -0.18 0.00 -0.02 0.00 0.00 54.58 52.38 1upc n ASN 490 Cb 0.52 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.78 1upc n ASN 490 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1upc n ASP 491 N 0.00 -4.44 -3.68 0.53 8.00 -1.26 -4.93 116.55 110.77 1upc n ASP 491 Ca 0.00 -0.06 -0.14 0.00 0.71 0.00 0.00 54.79 55.30 1upc n ASP 491 Cb 0.66 -3.70 -0.08 0.00 -0.02 0.00 0.00 41.12 37.98 1upc n ASP 491 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1upc s THR 492 N -2.84 0.01 -1.06 -3.53 2.01 -1.26 -0.76 115.64 108.21 1upc s THR 492 Ca 0.16 -0.07 -0.23 0.00 0.31 0.00 0.00 61.69 61.86 1upc s THR 492 Cb -0.08 -0.75 -0.00 0.00 0.01 0.00 0.00 72.50 71.68 1upc s THR 492 CO 0.19 -0.04 1.76 0.20 -0.69 0.00 0.00 174.62 176.04 1upc s ASN 493 N -0.18 5.83 0.03 3.53 0.01 -0.48 -4.39 114.94 119.29 1upc s ASN 493 Ca -0.04 -1.41 -0.22 0.00 -0.71 0.00 0.00 52.86 50.48 1upc s ASN 493 Cb -0.03 -2.57 -0.15 0.00 0.41 0.00 0.00 41.25 38.90 1upc s ASN 493 CO 0.03 -2.16 1.39 1.23 -1.51 0.00 0.00 177.10 176.08 1upc h GLY 494 N 15.38 0.23 -0.14 0.66 0.00 -1.96 -2.24 103.07 115.01 1upc h GLY 494 Ca 0.21 -0.21 0.21 0.00 0.00 0.00 0.00 47.33 47.55 1upc h GLY 494 CO 1.32 0.19 0.41 -2.00 0.00 0.00 0.00 176.54 176.46 1upc h LEU 495 N -0.13 0.38 -0.42 3.11 6.46 -1.93 -0.26 115.31 122.52 1upc h LEU 495 Ca 0.02 0.14 -0.18 0.00 -0.12 0.00 0.00 57.88 57.75 1upc h LEU 495 Cb 0.49 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 1upc h LEU 495 CO 0.01 0.04 -0.75 0.40 -0.62 0.00 0.00 178.44 177.52 1upc h ILE 496 N 0.44 1.42 -0.57 4.05 1.08 -1.89 -2.04 117.51 120.00 1upc h ILE 496 Ca 0.55 -2.26 -0.04 0.00 -0.39 0.00 0.00 64.86 62.71 1upc h ILE 496 Cb 1.01 2.21 -0.03 0.00 -3.07 0.00 0.00 36.82 36.95 1upc h ILE 496 CO -0.50 0.67 0.18 -0.08 -0.69 0.00 0.00 178.15 177.72 1upc h GLU 497 N 0.19 0.85 -0.12 2.37 4.81 -0.52 -0.95 114.58 121.21 1upc h GLU 497 Ca -0.03 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1upc h GLU 497 Cb 1.33 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1upc h GLU 497 CO 0.12 0.74 0.01 1.25 -0.73 0.00 0.00 179.01 180.40 1upc h LEU 498 N 0.83 -0.03 -0.85 1.64 6.46 -0.71 -0.74 115.31 121.92 1upc h LEU 498 Ca 0.19 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.93 1upc h LEU 498 Cb 0.25 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.18 1upc h LEU 498 CO -0.01 0.01 0.33 1.88 -0.62 0.00 0.00 178.44 180.02 1upc h TYR 499 N 0.05 1.19 -0.28 1.25 0.05 -1.13 0.49 116.97 118.60 1upc h TYR 499 Ca 0.06 -0.08 0.07 0.00 0.05 0.00 0.00 58.73 58.82 1upc h TYR 499 Cb 0.06 -0.36 -0.07 0.00 1.01 0.00 0.00 36.73 37.37 1upc h TYR 499 CO -0.13 0.89 -0.19 1.96 -1.05 0.00 0.00 178.16 179.64 1upc h GLN 500 N 1.15 -0.16 -0.22 4.88 4.20 -0.74 -0.93 115.11 123.29 1upc h GLN 500 Ca 0.27 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.91 1upc h GLN 500 Cb 0.20 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1upc h GLN 500 CO -0.02 -0.11 -0.18 -0.91 -0.67 0.00 0.00 178.83 176.94 1upc h ASN 501 N -0.16 0.36 -0.44 1.46 2.35 -0.46 0.17 115.58 118.86 1upc h ASN 501 Ca 0.15 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1upc h ASN 501 Cb 0.39 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1upc h ASN 501 CO -0.38 0.56 0.05 0.40 -1.65 0.00 0.00 177.43 176.42 1upc h ILE 502 N 0.34 1.25 0.19 2.81 2.04 -0.41 -0.51 117.51 123.22 1upc h ILE 502 Ca 0.06 -0.94 -0.31 0.00 1.00 0.00 0.00 64.86 64.68 1upc h ILE 502 Cb 0.52 1.00 0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1upc h ILE 502 CO 0.03 0.33 -1.36 1.23 0.00 0.00 0.00 178.15 178.38 1upc h GLY 503 N 0.60 0.46 0.00 5.37 0.00 -0.98 -3.40 103.07 105.12 1upc h GLY 503 Ca 0.13 -1.18 0.00 0.00 0.00 0.00 0.00 47.33 46.28 1upc h GLY 503 CO 0.01 1.03 0.00 1.42 0.00 0.00 0.00 176.54 179.01 1upc n HIS 504 N -3.62 0.00 -1.85 5.60 8.25 0.58 -5.01 115.22 119.17 1upc n HIS 504 Ca -0.13 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.14 1upc n HIS 504 Cb 1.06 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 32.12 1upc n HIS 504 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1upc n HIS 505 N -0.46 -0.40 -3.75 4.41 -0.00 -0.20 -4.96 115.22 109.86 1upc n HIS 505 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.64 1upc n HIS 505 Cb 0.03 -3.48 -0.02 0.00 -0.00 0.00 0.00 29.99 26.51 1upc n HIS 505 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 1upc s ARG 506 N -4.12 1.64 0.35 -0.41 1.70 -1.26 -4.97 118.95 111.88 1upc s ARG 506 Ca 0.00 -0.86 -0.01 0.00 -0.47 0.00 0.00 55.73 54.39 1upc s ARG 506 Cb 0.00 0.60 -0.04 0.00 -0.57 0.00 0.00 34.95 34.94 1upc s ARG 506 CO 0.00 -0.74 0.58 -1.12 -1.08 0.00 0.00 175.30 172.94 1upc s SER 507 N -2.88 6.32 -0.23 -2.89 0.01 -1.26 -3.68 113.70 109.09 1upc s SER 507 Ca 0.09 0.56 -0.03 0.00 1.31 0.00 0.00 55.95 57.88 1upc s SER 507 Cb -0.04 -2.08 0.07 0.00 0.21 0.00 0.00 66.02 64.18 1upc s SER 507 CO 0.02 -0.31 0.07 -2.28 0.41 0.00 0.00 173.24 171.14 1upc s HIS 508 N -2.33 0.97 0.32 2.43 2.46 -1.26 -5.06 115.29 112.82 1upc s HIS 508 Ca 0.42 -0.98 0.06 0.00 0.47 0.00 0.00 55.06 55.02 1upc s HIS 508 Cb -0.10 -1.11 0.55 0.00 -0.13 0.00 0.00 32.58 31.79 1upc s HIS 508 CO 0.36 -0.69 1.79 -0.44 -2.47 0.00 0.00 174.74 173.29 1upc h ASP 509 N 8.26 0.35 -0.20 9.88 3.32 -1.98 -2.78 116.42 133.26 1upc h ASP 509 Ca -0.16 -0.11 0.06 0.00 0.02 0.00 0.00 57.03 56.84 1upc h ASP 509 Cb 1.09 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 1upc h ASP 509 CO 0.37 0.59 0.23 -0.65 -1.72 0.00 0.00 179.24 178.06 1upc h PRO 510 N 0.32 0.00 -0.00 3.56 0.11 -1.97 0.80 132.00 134.82 1upc h PRO 510 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1upc h PRO 510 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1upc h PRO 510 CO 0.04 0.00 -0.61 0.00 -0.21 0.00 0.00 178.00 177.22 1upc n ALA 511 N -2.31 3.83 0.00 -0.75 0.00 -1.05 -4.60 120.51 115.62 1upc n ALA 511 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1upc n ALA 511 Cb 0.35 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1upc n ALA 511 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1upc n VAL 512 N -1.40 0.00 -3.60 0.00 0.24 -1.00 -5.00 118.33 107.58 1upc n VAL 512 Ca 0.06 -0.04 -0.37 0.00 -2.04 0.00 0.00 64.34 61.95 1upc n VAL 512 Cb 0.34 0.45 -0.06 0.00 -1.47 0.00 0.00 33.84 33.09 1upc n VAL 512 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1upc s LYS 513 N -0.32 3.91 0.30 7.34 -0.14 0.24 -1.38 119.74 129.68 1upc s LYS 513 Ca 0.00 0.19 0.09 0.00 -1.36 0.00 0.00 55.97 54.88 1upc s LYS 513 Cb 0.00 -3.28 -0.04 0.00 -1.68 0.00 0.00 37.83 32.83 1upc s LYS 513 CO 0.00 0.57 0.09 -0.06 -0.76 0.00 0.00 175.35 175.19 1upc s PHE 514 N -0.57 2.76 0.75 3.18 0.08 0.06 -4.89 117.98 119.36 1upc s PHE 514 Ca 0.19 -0.27 -0.08 0.00 0.12 0.00 0.00 56.93 56.90 1upc s PHE 514 Cb -0.14 -1.41 0.16 0.00 -0.57 0.00 0.00 43.02 41.06 1upc s PHE 514 CO 0.08 0.48 1.03 0.41 -0.10 0.00 0.00 175.22 177.12 1upc n GLY 515 N -1.05 -0.43 3.74 4.36 0.00 -1.26 -4.76 105.19 105.78 1upc n GLY 515 Ca -0.05 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 1upc n GLY 515 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1upc s GLY 516 N -5.17 2.21 -0.08 -0.02 0.00 -1.26 -4.92 107.32 98.08 1upc s GLY 516 Ca 0.62 1.28 0.03 0.00 0.00 0.00 0.00 44.72 46.65 1upc s GLY 516 CO 0.43 2.30 -0.17 0.14 0.00 0.00 0.00 173.10 175.80 1upc s VAL 517 N 0.26 1.50 -0.74 1.40 1.01 -1.26 -5.09 120.40 117.48 1upc s VAL 517 Ca 0.61 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.70 1upc s VAL 517 Cb -0.41 -1.34 0.11 0.00 0.00 0.00 0.00 36.38 34.75 1upc s VAL 517 CO 0.40 0.44 0.92 -0.62 0.00 0.00 0.00 175.10 176.24 1upc s ASP 518 N 0.57 6.37 0.38 3.32 2.15 -1.26 -4.91 116.67 123.29 1upc s ASP 518 Ca -0.16 -1.59 0.20 0.00 0.43 0.00 0.00 52.55 51.44 1upc s ASP 518 Cb -0.17 -2.36 0.58 0.00 -0.30 0.00 0.00 42.92 40.67 1upc s ASP 518 CO 0.05 -1.16 1.68 -0.26 -0.17 0.00 0.00 175.17 175.31 1upc h PHE 519 N 9.08 0.00 -0.17 -5.34 0.04 -1.98 -0.98 116.94 117.59 1upc h PHE 519 Ca -0.12 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.65 1upc h PHE 519 Cb 1.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.20 1upc h PHE 519 CO 1.00 0.32 0.10 0.28 -0.60 0.00 0.00 178.31 179.40 1upc h VAL 520 N 0.00 1.08 -0.30 -0.55 2.07 -1.90 0.62 116.25 117.27 1upc h VAL 520 Ca -0.00 -0.20 -0.18 0.00 0.82 0.00 0.00 66.70 67.13 1upc h VAL 520 Cb 0.99 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1upc h VAL 520 CO 0.04 0.07 -0.53 0.00 0.02 0.00 0.00 177.57 177.18 1upc h ALA 521 N 1.01 0.49 -0.30 1.67 0.00 -1.89 -1.67 119.26 118.58 1upc h ALA 521 Ca 0.06 -0.51 0.05 0.00 0.00 0.00 0.00 54.91 54.51 1upc h ALA 521 Cb 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1upc h ALA 521 CO -0.01 0.68 0.04 1.25 0.00 0.00 0.00 179.25 181.21 1upc h LEU 522 N 0.67 -0.04 -0.45 0.00 5.85 -1.11 0.16 115.31 120.39 1upc h LEU 522 Ca 0.02 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1upc h LEU 522 Cb 1.13 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 1upc h LEU 522 CO 0.12 0.02 0.27 0.00 -0.34 0.00 0.00 178.44 178.51 1upc h ALA 523 N 1.24 0.57 0.00 1.25 0.00 -0.73 -2.46 119.26 119.13 1upc h ALA 523 Ca 0.14 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1upc h ALA 523 Cb 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1upc h ALA 523 CO -0.21 0.06 -0.35 0.93 0.00 0.00 0.00 179.25 179.68 1upc h GLU 524 N 0.60 0.00 0.00 0.00 5.08 -0.82 -1.11 114.58 118.33 1upc h GLU 524 Ca 0.16 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1upc h GLU 524 Cb -0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1upc h GLU 524 CO -0.03 0.35 -0.15 0.00 -1.00 0.00 0.00 179.01 178.18 1upc h ALA 525 N 1.65 1.27 -0.22 3.43 0.00 -0.22 -2.66 119.26 122.51 1upc h ALA 525 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1upc h ALA 525 Cb 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1upc h ALA 525 CO 0.05 0.19 0.00 0.09 0.00 0.00 0.00 179.25 179.58 1upc n ASN 526 N -3.67 2.55 0.00 0.00 3.02 -0.52 -4.93 115.26 111.71 1upc n ASN 526 Ca -0.02 -1.85 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 1upc n ASN 526 Cb 0.28 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 1upc n ASN 526 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1upc n GLY 527 N 1.32 0.89 3.27 7.41 0.00 -1.00 -4.29 105.19 112.78 1upc n GLY 527 Ca 0.17 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1upc n GLY 527 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upc s VAL 528 N -2.00 2.93 0.51 1.61 1.01 -0.60 -4.93 120.40 118.94 1upc s VAL 528 Ca 0.00 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 61.11 1upc s VAL 528 Cb 0.00 -2.29 -0.06 0.00 0.00 0.00 0.00 36.38 34.03 1upc s VAL 528 CO 0.00 0.48 1.24 -1.81 0.00 0.00 0.00 175.10 175.00 1upc s ASP 529 N 1.18 5.69 0.23 3.32 1.01 -1.26 -2.29 116.67 124.55 1upc s ASP 529 Ca 0.02 2.47 -0.15 0.00 0.71 0.00 0.00 52.55 55.59 1upc s ASP 529 Cb -0.14 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.18 1upc s ASP 529 CO -0.04 -1.26 0.52 0.00 0.21 0.00 0.00 175.17 174.60 1upc s ALA 530 N -1.48 -0.58 0.24 5.23 0.00 -1.26 -1.57 121.76 122.35 1upc s ALA 530 Ca 0.69 -0.61 -0.17 0.00 0.00 0.00 0.00 51.96 51.87 1upc s ALA 530 Cb -0.33 0.96 0.01 0.00 0.00 0.00 0.00 23.12 23.77 1upc s ALA 530 CO 0.38 -0.86 0.58 -0.08 0.00 0.00 0.00 175.76 175.78 1upc s THR 531 N -3.96 0.01 -0.14 0.00 -1.32 -0.66 -4.95 115.64 104.62 1upc s THR 531 Ca 0.17 -1.08 -0.04 0.00 -1.21 0.00 0.00 61.69 59.52 1upc s THR 531 Cb -0.01 -1.95 -0.03 0.00 -1.51 0.00 0.00 72.50 68.99 1upc s THR 531 CO 0.05 -0.03 -0.01 -0.60 -2.21 0.00 0.00 174.62 171.82 1upc s ARG 532 N -3.94 3.54 -0.03 7.08 3.52 -1.26 -1.47 118.95 126.38 1upc s ARG 532 Ca 0.15 -0.46 0.02 0.00 -0.13 0.00 0.00 55.73 55.31 1upc s ARG 532 Cb -0.03 -2.93 0.01 0.00 -1.56 0.00 0.00 34.95 30.44 1upc s ARG 532 CO 0.05 0.37 -0.09 0.00 -0.81 0.00 0.00 175.30 174.82 1upc s ALA 533 N 0.03 0.93 0.00 6.12 0.00 -0.49 -4.94 121.76 123.41 1upc s ALA 533 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1upc s ALA 533 Cb -0.13 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1upc s ALA 533 CO 0.02 0.13 0.23 0.25 0.00 0.00 0.00 175.76 176.40 1upc n THR 534 N 3.40 0.00 -4.04 0.00 -2.24 -1.26 -4.13 114.28 106.01 1upc n THR 534 Ca -0.19 -0.39 -0.11 0.00 -2.27 0.00 0.00 64.05 61.08 1upc n THR 534 Cb 0.54 1.13 -0.05 0.00 -2.10 0.00 0.00 70.33 69.85 1upc n THR 534 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1upc s ASN 535 N -0.32 0.31 0.29 3.42 2.20 -1.26 -4.44 114.94 115.15 1upc s ASN 535 Ca 0.00 -1.19 0.02 0.00 -0.94 0.00 0.00 52.86 50.75 1upc s ASN 535 Cb 0.00 0.62 0.58 0.00 -2.00 0.00 0.00 41.25 40.45 1upc s ASN 535 CO 0.00 -1.21 1.85 0.03 -2.94 0.00 0.00 177.10 174.83 1upc h ARG 536 N 2.21 0.94 -0.15 3.55 3.08 -1.96 -1.74 114.38 120.31 1upc h ARG 536 Ca -0.28 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.69 1upc h ARG 536 Cb 1.25 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 1upc h ARG 536 CO 0.38 0.62 0.01 1.49 -1.07 0.00 0.00 179.97 181.41 1upc h GLU 537 N 0.97 0.27 -0.19 0.04 4.81 -2.00 -1.09 114.58 117.39 1upc h GLU 537 Ca 0.48 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.49 1upc h GLU 537 Cb 0.48 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1upc h GLU 537 CO -0.24 0.47 -0.49 0.93 -0.73 0.00 0.00 179.01 178.95 1upc h GLU 538 N 0.03 0.49 -0.24 1.92 5.08 -1.95 -2.55 114.58 117.36 1upc h GLU 538 Ca 0.05 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 1upc h GLU 538 Cb 0.34 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1upc h GLU 538 CO 0.01 0.87 0.02 1.25 -1.00 0.00 0.00 179.01 180.16 1upc h LEU 539 N 0.39 0.39 -0.91 1.33 5.85 -1.23 -0.92 115.31 120.21 1upc h LEU 539 Ca 0.02 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.47 1upc h LEU 539 Cb 0.99 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1upc h LEU 539 CO 0.09 0.57 0.60 -0.07 -0.34 0.00 0.00 178.44 179.30 1upc h LEU 540 N 0.20 1.05 -0.33 2.25 3.38 -1.19 0.53 115.31 121.20 1upc h LEU 540 Ca 0.07 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1upc h LEU 540 Cb 0.36 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1upc h LEU 540 CO 0.01 0.76 0.07 0.00 0.09 0.00 0.00 178.44 179.37 1upc h ALA 541 N 1.33 0.43 -0.50 1.53 0.00 -1.30 -0.02 119.26 120.74 1upc h ALA 541 Ca 0.33 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1upc h ALA 541 Cb -0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1upc h ALA 541 CO -0.07 0.11 0.24 0.00 0.00 0.00 0.00 179.25 179.52 1upc h ALA 542 N 0.91 0.64 -0.30 0.00 0.00 -0.98 -0.89 119.26 118.64 1upc h ALA 542 Ca 0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1upc h ALA 542 Cb 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1upc h ALA 542 CO 0.00 0.21 0.18 -0.07 0.00 0.00 0.00 179.25 179.58 1upc h LEU 543 N 0.66 0.35 -1.06 0.00 3.38 -0.74 -1.19 115.31 116.72 1upc h LEU 543 Ca 0.17 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1upc h LEU 543 Cb 0.13 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1upc h LEU 543 CO -0.02 0.29 0.30 0.03 0.09 0.00 0.00 178.44 179.13 1upc h ARG 544 N 0.39 0.97 0.02 1.13 3.08 -0.88 -0.05 114.38 119.03 1upc h ARG 544 Ca 0.11 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1upc h ARG 544 Cb -0.00 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.87 1upc h ARG 544 CO -0.02 0.77 -0.01 -0.22 -1.07 0.00 0.00 179.97 179.42 1upc h LYS 545 N 0.96 -0.03 -0.55 0.04 3.64 -1.04 -2.94 116.57 116.66 1upc h LYS 545 Ca 0.23 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.68 1upc h LYS 545 Cb 0.13 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 1upc h LYS 545 CO -0.03 0.31 0.25 0.78 -2.27 0.00 0.00 179.45 178.49 1upc h GLY 546 N -0.37 0.76 1.88 5.01 0.00 -1.00 -1.95 103.07 107.40 1upc h GLY 546 Ca -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 1upc h GLY 546 CO 0.01 0.06 0.05 0.00 0.00 0.00 0.00 176.54 176.66 1upc h ALA 547 N 1.33 1.87 -0.00 3.60 0.00 -1.02 -2.59 119.26 122.44 1upc h ALA 547 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1upc h ALA 547 Cb 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1upc h ALA 547 CO -0.21 0.11 -0.63 0.39 0.00 0.00 0.00 179.25 178.91 1upc n GLU 548 N -4.49 0.16 0.13 0.00 1.02 -0.90 -4.53 120.64 112.04 1upc n GLU 548 Ca -0.01 -0.11 -0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1upc n GLU 548 Cb 0.10 -1.50 0.28 0.00 -0.02 0.00 0.00 31.44 30.31 1upc n GLU 548 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1upc h LEU 549 N 0.28 0.14 1.33 -4.62 5.85 -0.95 -3.46 115.31 113.87 1upc h LEU 549 Ca 0.00 -0.05 -0.23 0.00 0.84 0.00 0.00 57.88 58.44 1upc h LEU 549 Cb 0.52 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1upc h LEU 549 CO 0.00 0.52 -0.27 0.61 -0.34 0.00 0.00 178.44 178.96 1upc n GLY 550 N -0.30 0.25 3.42 3.75 0.00 -1.26 -4.99 105.19 106.05 1upc n GLY 550 Ca -0.02 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 1upc n GLY 550 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upc s ARG 551 N -4.15 1.20 0.74 1.61 0.52 -1.26 -4.87 118.95 112.74 1upc s ARG 551 Ca 0.00 -0.38 -0.15 0.00 -0.52 0.00 0.00 55.73 54.68 1upc s ARG 551 Cb 0.00 0.55 0.04 0.00 0.52 0.00 0.00 34.95 36.06 1upc s ARG 551 CO 0.00 -0.49 1.17 -0.35 0.02 0.00 0.00 175.30 175.65 1upc n PRO 552 N -0.10 0.53 -3.73 3.54 -0.04 -1.24 -4.55 135.00 129.39 1upc n PRO 552 Ca -0.17 0.25 -0.14 0.00 -0.04 0.00 0.00 63.50 63.40 1upc n PRO 552 Cb 0.63 -2.41 -0.09 0.00 -0.04 0.00 0.00 33.50 31.59 1upc n PRO 552 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1upc s PHE 553 N -1.84 -0.26 -0.01 0.54 5.36 -0.81 -4.23 117.98 116.73 1upc s PHE 553 Ca 0.76 0.47 0.04 0.00 -0.96 0.00 0.00 56.93 57.24 1upc s PHE 553 Cb -0.33 0.13 -0.01 0.00 -0.34 0.00 0.00 43.02 42.48 1upc s PHE 553 CO 0.48 -0.38 -0.13 -1.17 -1.46 0.00 0.00 175.22 172.55 1upc s LEU 554 N -1.07 1.99 -0.12 6.12 0.20 -0.61 -0.84 118.68 124.35 1upc s LEU 554 Ca -0.11 -0.24 0.01 0.00 0.69 0.00 0.00 54.13 54.48 1upc s LEU 554 Cb -0.04 -0.68 0.02 0.00 -0.43 0.00 0.00 46.19 45.05 1upc s LEU 554 CO 0.04 0.15 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.50 1upc s ILE 555 N -0.23 1.34 -0.16 6.68 1.01 0.52 -1.65 121.20 128.71 1upc s ILE 555 Ca 0.04 -0.52 -0.13 0.00 0.00 0.00 0.00 60.65 60.04 1upc s ILE 555 Cb -0.06 -1.27 -0.05 0.00 0.01 0.00 0.00 42.46 41.10 1upc s ILE 555 CO -0.00 0.42 0.27 -0.70 0.00 0.00 0.00 174.94 174.92 1upc s GLU 556 N 1.29 4.19 -0.14 2.79 2.12 -0.54 -0.91 118.70 127.51 1upc s GLU 556 Ca -0.01 0.06 -0.00 0.00 0.36 0.00 0.00 54.97 55.37 1upc s GLU 556 Cb -0.14 -3.40 0.03 0.00 0.26 0.00 0.00 34.13 30.88 1upc s GLU 556 CO -0.05 0.29 -0.08 0.08 -0.54 0.00 0.00 175.26 174.96 1upc s VAL 557 N 0.32 1.14 0.32 3.70 1.01 -0.37 -1.40 120.40 125.12 1upc s VAL 557 Ca 0.16 -0.47 -0.28 0.00 0.00 0.00 0.00 61.98 61.39 1upc s VAL 557 Cb -0.13 -1.20 -0.09 0.00 0.00 0.00 0.00 36.38 34.96 1upc s VAL 557 CO 0.03 0.29 1.15 -2.16 0.00 0.00 0.00 175.10 174.42 1upc s PRO 558 N 1.65 4.45 0.10 2.72 0.04 -1.26 -1.21 135.00 141.48 1upc s PRO 558 Ca 0.03 1.87 -0.01 0.00 0.04 0.00 0.00 61.00 62.93 1upc s PRO 558 Cb -0.14 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 1upc s PRO 558 CO -0.08 0.02 0.02 0.14 0.04 0.00 0.00 177.00 177.13 1upc s VAL 559 N -1.24 0.15 0.15 -0.36 -7.23 0.07 -0.95 120.40 111.00 1upc s VAL 559 Ca 0.48 -1.87 -0.02 0.00 -1.81 0.00 0.00 61.98 58.77 1upc s VAL 559 Cb -0.33 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 1upc s VAL 559 CO 0.42 -0.69 0.09 0.20 -0.31 0.00 0.00 175.10 174.81 1upc s ASN 560 N -2.99 0.25 0.01 4.85 -0.87 -1.07 -4.27 114.94 110.84 1upc s ASN 560 Ca 0.17 -1.22 -0.04 0.00 -1.57 0.00 0.00 52.86 50.20 1upc s ASN 560 Cb 0.08 0.33 -0.01 0.00 -0.02 0.00 0.00 41.25 41.62 1upc s ASN 560 CO -0.03 -0.77 -0.08 -1.22 -2.57 0.00 0.00 177.10 172.43 1upc n TYR 561 N -0.14 0.00 -3.16 2.20 4.01 -1.26 -4.64 117.16 114.17 1upc n TYR 561 Ca -0.04 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.56 1upc n TYR 561 Cb 0.64 -0.11 0.07 0.00 -0.31 0.00 0.00 39.34 39.63 1upc n TYR 561 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1upc n ASP 562 N -3.38 -3.58 -4.81 7.72 -0.08 -1.26 -4.99 116.55 106.17 1upc n ASP 562 Ca -0.03 -0.57 -0.34 0.00 -1.51 0.00 0.00 54.79 52.34 1upc n ASP 562 Cb 0.11 -4.56 -0.05 0.00 2.34 0.00 0.00 41.12 38.96 1upc n ASP 562 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1upc s PHE 563 N -3.32 3.14 -0.33 -0.67 -0.12 -1.26 -5.06 117.98 110.35 1upc s PHE 563 Ca 0.15 1.59 -0.11 0.00 -0.05 0.00 0.00 56.93 58.51 1upc s PHE 563 Cb -0.02 -2.97 -0.01 0.00 -0.63 0.00 0.00 43.02 39.40 1upc s PHE 563 CO 0.64 -0.51 0.20 1.14 -0.05 0.00 0.00 175.22 176.64 1upc s GLN 564 N -3.23 3.33 0.54 1.99 0.00 -1.26 -5.01 119.66 116.02 1upc s GLN 564 Ca 0.65 -0.74 0.35 0.00 -0.00 0.00 0.00 55.36 55.62 1upc s GLN 564 Cb -0.13 -3.70 1.53 0.00 0.00 0.00 0.00 33.01 30.71 1upc s GLN 564 CO 0.17 -0.48 1.83 -1.00 0.00 0.00 0.00 175.29 175.81 1upc h PRO 565 N 8.43 0.00 -0.24 9.60 0.13 -1.91 -3.15 132.00 144.85 1upc h PRO 565 Ca -0.31 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.79 1upc h PRO 565 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1upc h PRO 565 CO 0.63 0.00 0.03 0.78 -0.23 0.00 0.00 178.00 179.21 1upc h GLY 566 N 0.00 0.37 -1.08 1.56 0.00 -1.94 -3.27 103.07 98.71 1upc h GLY 566 Ca 0.52 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1upc h GLY 566 CO -0.01 0.18 0.00 0.61 0.00 0.00 0.00 176.54 177.32 1upc n GLY 567 N -1.14 0.38 1.81 4.60 0.00 -1.19 -4.33 105.19 105.33 1upc n GLY 567 Ca 0.00 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 1upc n GLY 567 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1upc n PHE 568 N 0.34 2.32 0.25 1.61 3.72 -1.24 -2.88 117.46 121.58 1upc n PHE 568 Ca 0.10 -2.21 0.09 0.00 -0.05 0.00 0.00 57.45 55.37 1upc n PHE 568 Cb 0.25 -0.62 0.65 0.00 -0.94 0.00 0.00 39.48 38.82 1upc n PHE 568 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1upc h GLY 569 N 1.78 0.00 1.65 1.37 0.00 -1.86 -3.03 103.07 102.99 1upc h GLY 569 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1upc h GLY 569 CO 0.82 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.36 1upc n ALA 570 N -2.44 1.58 1.86 3.60 0.00 -1.26 -3.00 120.51 120.85 1upc n ALA 570 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1upc n ALA 570 Cb 0.18 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1upc n ALA 570 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1upc n LEU 571 N -1.33 0.02 -0.42 0.00 4.77 -1.15 -4.91 117.00 113.99 1upc n LEU 571 Ca 0.04 -0.01 0.14 0.00 -0.03 0.00 0.00 56.01 56.15 1upc n LEU 571 Cb 0.08 -0.01 0.58 0.00 -2.33 0.00 0.00 43.42 41.74 1upc n LEU 571 CO 0.08 0.01 0.90 -1.20 -1.33 0.00 0.00 177.39 175.84