#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 0.35 0.52 2.01 -1.26 -4.57 115.64 113.94 1upc s THR 13 Ca 0.00 -2.00 0.21 0.00 0.31 0.00 0.00 61.69 60.21 1upc s THR 13 Cb 0.00 -2.59 0.20 0.00 0.01 0.00 0.00 72.50 70.12 1upc s THR 13 CO 0.00 0.00 1.94 0.00 -0.69 0.00 0.00 174.62 175.87 1upc h ALA 14 N 1.77 1.30 -0.61 7.40 0.00 -1.25 -1.21 119.26 126.65 1upc h ALA 14 Ca -0.41 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.33 1upc h ALA 14 Cb 1.27 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1upc h ALA 14 CO 0.71 0.29 0.34 0.00 0.00 0.00 0.00 179.25 180.59 1upc h ALA 15 N 1.77 0.80 -0.49 0.00 0.00 -1.37 0.60 119.26 120.56 1upc h ALA 15 Ca -0.00 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1upc h ALA 15 Cb 0.52 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1upc h ALA 15 CO 0.03 0.02 -0.05 1.25 0.00 0.00 0.00 179.25 180.50 1upc h HIS 16 N 0.64 1.00 0.00 0.00 6.17 -1.57 -2.47 115.15 118.93 1upc h HIS 16 Ca 0.27 -0.19 -0.09 0.00 0.71 0.00 0.00 60.37 61.06 1upc h HIS 16 Cb 0.13 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 29.80 1upc h HIS 16 CO -0.08 0.95 -0.45 0.00 0.71 0.00 0.00 177.93 179.06 1upc h ALA 17 N 0.91 1.15 0.22 5.26 0.00 -0.97 -0.92 119.26 124.92 1upc h ALA 17 Ca 0.13 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1upc h ALA 17 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1upc h ALA 17 CO 0.04 0.56 -0.11 1.25 0.00 0.00 0.00 179.25 180.99 1upc h LEU 18 N 0.00 -0.25 -0.70 0.00 5.85 -0.80 -2.27 115.31 117.14 1upc h LEU 18 Ca -0.00 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.37 1upc h LEU 18 Cb 0.85 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1upc h LEU 18 CO 0.06 0.23 0.17 -0.07 -0.34 0.00 0.00 178.44 178.49 1upc h LEU 19 N -0.83 1.06 -0.53 2.25 3.38 -1.36 -1.58 115.31 117.70 1upc h LEU 19 Ca -0.03 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1upc h LEU 19 Cb 0.51 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1upc h LEU 19 CO 0.05 1.02 0.35 -1.28 0.09 0.00 0.00 178.44 178.67 1upc h SER 20 N 1.05 0.61 0.80 -0.43 0.87 -1.27 -1.47 113.55 113.70 1upc h SER 20 Ca 0.22 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.68 1upc h SER 20 Cb 0.38 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1upc h SER 20 CO 0.00 0.44 -0.38 -0.09 -0.53 0.00 0.00 176.83 176.27 1upc h ARG 21 N 0.72 0.00 -0.14 2.24 9.65 -0.91 -1.44 114.38 124.49 1upc h ARG 21 Ca 0.20 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.05 1upc h ARG 21 Cb -0.08 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 1upc h ARG 21 CO -0.05 0.38 -0.00 -0.07 2.80 0.00 0.00 179.97 183.03 1upc h LEU 22 N 0.00 0.25 -1.46 3.80 3.38 -1.01 -2.79 115.31 117.49 1upc h LEU 22 Ca -0.00 -0.32 0.11 0.00 0.09 0.00 0.00 57.88 57.75 1upc h LEU 22 Cb 0.88 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 1upc h LEU 22 CO 0.05 0.51 0.49 0.03 0.09 0.00 0.00 178.44 179.60 1upc h ARG 23 N -0.01 0.58 0.00 1.13 3.08 -1.07 -0.95 114.38 117.14 1upc h ARG 23 Ca 0.04 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1upc h ARG 23 Cb 0.38 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1upc h ARG 23 CO 0.01 0.38 -0.21 -0.44 -1.07 0.00 0.00 179.97 178.64 1upc h ASP 24 N 0.60 0.00 -0.33 7.04 3.32 -1.08 -2.55 116.42 123.41 1upc h ASP 24 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1upc h ASP 24 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1upc h ASP 24 CO -0.12 0.21 0.00 1.41 -1.72 0.00 0.00 179.24 179.02 1upc n HIS 25 N -4.20 0.42 0.00 4.55 8.25 -0.43 -4.77 115.22 119.04 1upc n HIS 25 Ca -0.02 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 1upc n HIS 25 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 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 1.32 0.65 3.70 -1.41 0.00 -0.96 -4.71 105.19 103.78 1upc n GLY 26 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 4.68 -0.48 1.61 1.01 -0.81 -4.89 120.40 119.53 1upc s VAL 27 Ca 0.00 1.93 0.09 0.00 0.00 0.00 0.00 61.98 64.00 1upc s VAL 27 Cb 0.00 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 1upc s VAL 27 CO 0.00 0.10 0.41 0.61 0.00 0.00 0.00 175.10 176.22 1upc n GLY 28 N 3.03 0.12 3.03 4.51 0.00 -1.26 -3.88 105.19 110.74 1upc n GLY 28 Ca 0.08 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.78 0.50 -0.16 1.61 -0.14 -1.26 -1.28 119.74 117.23 1upc s LYS 29 Ca 0.04 -0.61 -0.01 0.00 -1.36 0.00 0.00 55.97 54.03 1upc s LYS 29 Cb 0.07 -0.31 0.04 0.00 -1.68 0.00 0.00 37.83 35.95 1upc s LYS 29 CO 0.35 0.06 -0.04 0.08 -0.76 0.00 0.00 175.35 175.04 1upc s VAL 30 N -1.07 1.01 0.08 3.17 1.01 -0.40 -4.27 120.40 119.94 1upc s VAL 30 Ca -0.07 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.16 1upc s VAL 30 Cb -0.08 -1.22 -0.07 0.00 0.00 0.00 0.00 36.38 35.02 1upc s VAL 30 CO 0.00 0.11 0.53 -0.36 0.00 0.00 0.00 175.10 175.38 1upc s PHE 31 N 1.67 3.74 -1.87 5.22 0.40 -0.83 -0.85 117.98 125.46 1upc s PHE 31 Ca 0.01 1.16 0.00 0.00 -0.60 0.00 0.00 56.93 57.50 1upc s PHE 31 Cb -0.15 -2.42 0.00 0.00 0.51 0.00 0.00 43.02 40.96 1upc s PHE 31 CO -0.08 0.56 0.00 0.41 0.70 0.00 0.00 175.22 176.81 1upc n GLY 32 N 1.47 -1.19 3.04 4.36 0.00 -0.70 -0.93 105.19 111.25 1upc n GLY 32 Ca -0.10 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 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 1.09 -0.18 1.61 1.01 -0.97 -1.13 120.40 118.82 1upc s VAL 33 Ca 0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 1upc s VAL 33 Cb 0.00 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 1upc s VAL 33 CO 0.00 0.33 0.12 -0.69 0.00 0.00 0.00 175.10 174.86 1upc s VAL 34 N 0.36 5.29 0.00 2.92 1.01 -1.26 -3.63 120.40 125.09 1upc s VAL 34 Ca -0.08 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1upc s VAL 34 Cb -0.12 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1upc s VAL 34 CO 0.02 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1upc n GLY 35 N 3.27 2.52 0.07 4.51 0.00 -1.26 -4.96 105.19 109.35 1upc n GLY 35 Ca -0.17 -1.92 0.09 0.00 0.00 0.00 0.00 46.02 44.03 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 0.11 0.05 1.61 1.85 -1.26 -1.28 116.66 117.74 1upc n ARG 36 Ca 0.00 0.36 0.03 0.00 -1.00 0.00 0.00 57.85 57.24 1upc n ARG 36 Cb 0.00 -1.71 0.15 0.00 -1.05 0.00 0.00 32.46 29.85 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 -1.91 0.04 0.16 2.89 0.00 -1.26 -2.04 120.64 118.51 1upc n GLU 37 Ca 0.02 0.46 0.18 0.00 0.00 0.00 0.00 57.16 57.83 1upc n GLU 37 Cb 0.19 -1.74 0.79 0.00 0.00 0.00 0.00 31.44 30.68 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 1.58 1.95 -0.06 -1.84 0.00 -1.36 0.22 119.26 119.75 1upc h ALA 38 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1upc h ALA 38 Cb 0.24 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1upc h ALA 38 CO 0.00 -0.43 0.05 0.00 0.00 0.00 0.00 179.25 178.86 1upc h ALA 39 N 1.68 1.90 0.00 0.00 0.00 -1.68 -2.94 119.26 118.21 1upc h ALA 39 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1upc h ALA 39 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1upc h ALA 39 CO -0.00 -0.07 -0.83 0.43 0.00 0.00 0.00 179.25 178.77 1upc n SER 40 N -4.29 0.81 -3.65 0.00 7.64 0.70 -4.98 113.62 109.85 1upc n SER 40 Ca -0.02 -0.87 -0.06 0.00 1.01 0.00 0.00 58.87 58.93 1upc n SER 40 Cb 0.15 1.02 -0.08 0.00 -1.01 0.00 0.00 64.21 64.29 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 -2.62 -0.75 -0.08 0.44 2.07 -0.76 -4.50 121.20 115.01 1upc s ILE 41 Ca 0.06 0.12 0.03 0.00 -1.41 0.00 0.00 60.65 59.45 1upc s ILE 41 Cb 0.13 -0.76 -0.25 0.00 0.13 0.00 0.00 42.46 41.71 1upc s ILE 41 CO 0.70 0.05 0.53 0.18 -1.91 0.00 0.00 174.94 174.49 1upc n LEU 42 N 5.41 1.71 0.00 8.50 4.77 -1.26 -4.23 117.00 131.90 1upc n LEU 42 Ca -0.09 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1upc n LEU 42 Cb 0.49 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1upc n LEU 42 CO -0.01 0.61 0.00 0.49 -1.33 0.00 0.00 177.39 177.15 1upc n PHE 43 N -3.25 0.00 0.18 -1.77 3.72 -1.26 -4.92 117.46 110.15 1upc n PHE 43 Ca -0.24 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.21 1upc n PHE 43 Cb 1.05 -0.23 0.09 0.00 -0.94 0.00 0.00 39.48 39.45 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 0.93 2.32 0.28 4.37 5.75 -1.26 -4.63 116.55 124.32 1upc n ASP 44 Ca 0.00 -1.69 0.16 0.00 -0.01 0.00 0.00 54.79 53.26 1upc n ASP 44 Cb 0.00 -0.10 0.80 0.00 -1.03 0.00 0.00 41.12 40.79 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 2.03 0.00 -3.69 0.11 3.07 -1.93 -3.41 114.58 110.75 1upc h GLU 45 Ca 0.00 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.38 1upc h GLU 45 Cb 0.57 0.00 -0.39 0.00 -0.84 0.00 0.00 28.75 28.09 1upc h GLU 45 CO 0.00 0.06 -0.77 0.08 -1.40 0.00 0.00 179.01 176.98 1upc s VAL 46 N -3.94 0.51 0.22 3.13 1.01 -1.26 -5.02 120.40 115.05 1upc s VAL 46 Ca -0.02 -0.20 -0.32 0.00 0.00 0.00 0.00 61.98 61.45 1upc s VAL 46 Cb 0.11 -0.79 -0.14 0.00 0.00 0.00 0.00 36.38 35.56 1upc s VAL 46 CO 0.54 0.08 1.33 1.21 0.00 0.00 0.00 175.10 178.25 1upc n GLU 47 N 5.08 1.79 -0.47 2.72 2.13 -1.26 -3.01 120.64 127.61 1upc n GLU 47 Ca -0.08 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.37 1upc n GLU 47 Cb 0.49 -2.24 0.00 0.00 0.27 0.00 0.00 31.44 29.96 1upc n GLU 47 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1upc n GLY 48 N 2.08 0.74 3.01 8.31 0.00 -1.26 -5.04 105.19 113.03 1upc n GLY 48 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.79 1.55 0.09 -0.61 2.07 -1.16 -4.44 121.20 115.90 1upc s ILE 49 Ca 0.00 -0.67 0.05 0.00 -1.41 0.00 0.00 60.65 58.63 1upc s ILE 49 Cb 0.00 -1.49 -0.04 0.00 0.13 0.00 0.00 42.46 41.07 1upc s ILE 49 CO 0.00 0.41 -0.02 -1.81 -1.91 0.00 0.00 174.94 171.61 1upc s ASP 50 N 1.49 4.88 0.02 4.50 1.01 -0.40 -4.86 116.67 123.31 1upc s ASP 50 Ca 0.04 -0.22 -0.19 0.00 0.71 0.00 0.00 52.55 52.90 1upc s ASP 50 Cb -0.13 -1.12 -0.06 0.00 1.01 0.00 0.00 42.92 42.62 1upc s ASP 50 CO -0.10 0.18 0.53 0.12 0.21 0.00 0.00 175.17 176.11 1upc s PHE 51 N -1.28 3.74 -0.38 4.23 5.36 -1.26 -1.27 117.98 127.11 1upc s PHE 51 Ca 0.25 1.16 0.03 0.00 -0.96 0.00 0.00 56.93 57.41 1upc s PHE 51 Cb -0.12 -2.49 0.11 0.00 -0.34 0.00 0.00 43.02 40.19 1upc s PHE 51 CO 0.17 0.51 0.11 0.08 -1.46 0.00 0.00 175.22 174.62 1upc s VAL 52 N -0.73 2.43 0.13 3.12 1.01 -0.03 -4.94 120.40 121.39 1upc s VAL 52 Ca 0.28 -2.52 -0.31 0.00 0.00 0.00 0.00 61.98 59.44 1upc s VAL 52 Cb -0.18 -2.76 -0.07 0.00 0.00 0.00 0.00 36.38 33.36 1upc s VAL 52 CO 0.17 -0.65 1.28 -0.22 0.00 0.00 0.00 175.10 175.68 1upc s LEU 53 N 0.68 4.40 0.00 3.92 2.96 -1.26 -1.72 118.68 127.66 1upc s LEU 53 Ca 0.12 2.23 0.04 0.00 -0.22 0.00 0.00 54.13 56.29 1upc s LEU 53 Cb -0.21 -3.59 0.04 0.00 0.50 0.00 0.00 46.19 42.93 1upc s LEU 53 CO -0.06 -0.51 0.29 0.35 -1.32 0.00 0.00 176.35 175.10 1upc n THR 54 N 3.38 0.00 0.44 3.68 -2.24 -0.28 -4.90 114.28 114.36 1upc n THR 54 Ca 0.08 -2.17 0.11 0.00 -2.27 0.00 0.00 64.05 59.80 1upc n THR 54 Cb 0.44 0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.75 1upc n THR 54 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1upc n ARG 55 N -1.61 0.37 -3.74 -0.78 5.12 -1.26 -4.78 116.66 109.98 1upc n ARG 55 Ca -0.07 -0.02 -0.13 0.00 -1.93 0.00 0.00 57.85 55.70 1upc n ARG 55 Cb 0.61 -1.61 -0.10 0.00 -1.16 0.00 0.00 32.46 30.20 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 -3.26 -0.39 0.41 -1.55 2.46 -1.26 -5.03 115.29 106.67 1upc s HIS 56 Ca 0.02 0.91 0.10 0.00 0.47 0.00 0.00 55.06 56.56 1upc s HIS 56 Cb 0.14 0.14 0.87 0.00 -0.13 0.00 0.00 32.58 33.60 1upc s HIS 56 CO 0.82 -0.24 1.96 0.93 -2.47 0.00 0.00 174.74 175.74 1upc h GLU 57 N 5.23 0.22 -0.24 2.88 3.07 -1.91 -2.65 114.58 121.18 1upc h GLU 57 Ca -0.27 -0.04 0.06 0.00 -0.50 0.00 0.00 59.36 58.60 1upc h GLU 57 Cb 1.18 -0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 29.00 1upc h GLU 57 CO 0.29 0.31 -0.13 0.35 -1.40 0.00 0.00 179.01 178.43 1upc h PHE 58 N 0.21 -0.32 -0.59 4.33 3.57 -1.88 -1.66 116.94 120.60 1upc h PHE 58 Ca 0.05 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.69 1upc h PHE 58 Cb 0.28 0.18 -0.11 0.00 2.79 0.00 0.00 35.95 39.09 1upc h PHE 58 CO 0.00 -0.20 -0.18 1.15 -2.23 0.00 0.00 178.31 176.85 1upc h THR 59 N -0.11 0.35 -0.38 4.41 2.02 -1.85 -1.52 112.91 115.84 1upc h THR 59 Ca 0.13 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.37 1upc h THR 59 Cb 0.31 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 67.02 1upc h THR 59 CO -0.31 0.00 0.07 0.00 0.37 0.00 0.00 175.52 175.65 1upc h ALA 60 N 1.49 0.40 -0.44 6.16 0.00 -1.32 -0.97 119.26 124.58 1upc h ALA 60 Ca 0.28 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.14 1upc h ALA 60 Cb 0.47 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1upc h ALA 60 CO -0.63 -0.33 -0.22 0.78 0.00 0.00 0.00 179.25 178.85 1upc h GLY 61 N 0.19 0.95 1.13 0.00 0.00 -0.88 -2.62 103.07 101.84 1upc h GLY 61 Ca 0.18 -0.83 -0.16 0.00 0.00 0.00 0.00 47.33 46.52 1upc h GLY 61 CO -0.24 0.75 -0.39 -2.08 0.00 0.00 0.00 176.54 174.58 1upc h VAL 62 N 0.76 1.27 -0.91 4.60 2.07 -1.12 -2.27 116.25 120.65 1upc h VAL 62 Ca 0.10 -1.57 0.04 0.00 0.82 0.00 0.00 66.70 66.10 1upc h VAL 62 Cb 0.76 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 1upc h VAL 62 CO 0.06 0.52 0.59 0.00 0.02 0.00 0.00 177.57 178.76 1upc h ALA 63 N 0.76 1.22 -0.52 1.67 0.00 -1.16 -1.02 119.26 120.22 1upc h ALA 63 Ca 0.06 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1upc h ALA 63 Cb 0.99 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1upc h ALA 63 CO 0.10 0.42 -0.04 0.00 0.00 0.00 0.00 179.25 179.73 1upc h ALA 64 N 1.39 0.95 -0.52 0.00 0.00 -1.44 -0.37 119.26 119.26 1upc h ALA 64 Ca 0.37 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1upc h ALA 64 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1upc h ALA 64 CO -0.13 0.63 -0.00 0.22 0.00 0.00 0.00 179.25 179.96 1upc h ASP 65 N 0.83 0.91 -0.02 0.00 1.82 -0.86 -0.90 116.42 118.20 1upc h ASP 65 Ca 0.15 -0.31 -0.06 0.00 -0.39 0.00 0.00 57.03 56.42 1upc h ASP 65 Cb 0.55 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.32 1upc h ASP 65 CO 0.03 1.00 -0.23 0.58 -1.61 0.00 0.00 179.24 179.01 1upc h VAL 66 N 0.80 1.51 -0.81 2.25 2.07 -1.10 -1.37 116.25 119.60 1upc h VAL 66 Ca 0.15 -1.82 0.10 0.00 0.82 0.00 0.00 66.70 65.94 1upc h VAL 66 Cb 0.53 2.62 -0.06 0.00 -1.52 0.00 0.00 31.29 32.86 1upc h VAL 66 CO 0.03 0.50 0.53 0.25 0.02 0.00 0.00 177.57 178.90 1upc h LEU 67 N -0.43 0.68 -0.32 2.57 5.85 -1.06 -0.67 115.31 121.93 1upc h LEU 67 Ca -0.02 0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.52 1upc h LEU 67 Cb 0.94 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1upc h LEU 67 CO 0.05 0.41 -0.66 0.00 -0.34 0.00 0.00 178.44 177.90 1upc h ALA 68 N 1.59 0.49 -0.03 1.25 0.00 -1.10 -1.39 119.26 120.07 1upc h ALA 68 Ca 0.37 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1upc h ALA 68 Cb 0.44 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1upc h ALA 68 CO -0.15 0.70 -0.02 -0.09 0.00 0.00 0.00 179.25 179.69 1upc h ARG 69 N 0.51 -0.02 -0.10 0.00 2.43 -0.10 -0.15 114.38 116.95 1upc h ARG 69 Ca -0.02 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 1upc h ARG 69 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1upc h ARG 69 CO 0.13 -0.01 -0.35 0.82 -1.51 0.00 0.00 179.97 179.05 1upc h ILE 70 N -0.02 1.39 0.00 1.20 2.04 -1.17 -3.22 117.51 117.73 1upc h ILE 70 Ca 0.02 -1.69 -0.04 0.00 1.00 0.00 0.00 64.86 64.15 1upc h ILE 70 Cb 0.05 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1upc h ILE 70 CO -0.04 0.50 -0.18 0.71 0.00 0.00 0.00 178.15 179.14 1upc h THR 71 N -0.01 0.41 -0.50 -0.27 1.35 -1.32 -3.47 112.91 109.10 1upc h THR 71 Ca -0.01 -1.04 -0.22 0.00 -0.55 0.00 0.00 66.41 64.58 1upc h THR 71 Cb 0.98 1.77 -0.09 0.00 -1.73 0.00 0.00 68.15 69.08 1upc h THR 71 CO 0.08 0.17 -0.20 0.61 -0.25 0.00 0.00 175.52 175.93 1upc n GLY 72 N 0.26 1.16 3.28 5.82 0.00 -0.07 -5.02 105.19 110.62 1upc n GLY 72 Ca 0.01 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.75 1.28 0.31 1.61 0.52 -1.22 -4.83 118.95 113.87 1upc s ARG 73 Ca 0.00 -1.08 -0.29 0.00 -0.52 0.00 0.00 55.73 53.83 1upc s ARG 73 Cb 0.00 -1.50 -0.13 0.00 0.52 0.00 0.00 34.95 33.84 1upc s ARG 73 CO 0.00 0.37 1.34 -2.30 0.02 0.00 0.00 175.30 174.73 1upc n PRO 74 N 1.41 2.13 -3.98 3.54 -0.02 -1.26 -4.40 135.00 132.43 1upc n PRO 74 Ca -0.18 0.75 -0.23 0.00 -2.02 0.00 0.00 63.50 61.82 1upc n PRO 74 Cb 0.53 -2.37 -0.05 0.00 -0.02 0.00 0.00 33.50 31.59 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 1.10 0.86 -3.79 -0.52 1.13 -0.89 -4.66 117.38 110.61 1upc n GLN 75 Ca 0.07 -2.79 -0.13 0.00 -1.94 0.00 0.00 57.00 52.22 1upc n GLN 75 Cb 0.35 1.10 -0.13 0.00 0.11 0.00 0.00 30.24 31.67 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 -2.77 -0.46 0.28 -1.58 0.00 -1.26 -0.70 121.76 115.26 1upc s ALA 76 Ca 0.08 0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.69 1upc s ALA 76 Cb 0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 23.12 22.69 1upc s ALA 76 CO 0.05 -0.11 0.05 0.00 0.00 0.00 0.00 175.76 175.75 1upc s TRP 78 N -3.46 -0.43 0.11 0.00 -0.11 -0.10 -1.45 118.94 113.50 1upc s TRP 78 Ca 0.34 1.00 -0.07 0.00 1.22 0.00 0.00 56.10 58.60 1upc s TRP 78 Cb 0.07 0.15 -0.01 0.00 -1.50 0.00 0.00 33.47 32.18 1upc s TRP 78 CO 0.13 -0.23 0.16 0.00 -4.62 0.00 0.00 176.95 172.39 1upc s ALA 79 N 0.69 0.09 1.08 5.86 0.00 0.51 -2.30 121.76 127.70 1upc s ALA 79 Ca -0.04 -0.89 -0.17 0.00 0.00 0.00 0.00 51.96 50.85 1upc s ALA 79 Cb -0.05 0.60 0.24 0.00 0.00 0.00 0.00 23.12 23.91 1upc s ALA 79 CO -0.05 -0.52 1.18 -2.37 0.00 0.00 0.00 175.76 174.01 1upc n THR 80 N -0.08 0.00 -1.37 0.00 5.66 -1.24 -1.06 114.28 116.19 1upc n THR 80 Ca -0.12 -0.76 -0.29 0.00 -3.05 0.00 0.00 64.05 59.83 1upc n THR 80 Cb 0.62 -1.42 0.14 0.00 -1.55 0.00 0.00 70.33 68.12 1upc n THR 80 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1upc s LEU 81 N 0.00 2.03 0.00 1.09 2.34 -1.14 -1.44 118.68 121.56 1upc s LEU 81 Ca 0.70 1.18 0.00 0.00 0.06 0.00 0.00 54.13 56.07 1upc s LEU 81 Cb -0.04 -3.53 0.00 0.00 -0.56 0.00 0.00 46.19 42.06 1upc s LEU 81 CO 0.51 -2.64 0.00 0.61 -1.06 0.00 0.00 176.35 173.77 1upc n GLY 82 N -1.67 2.81 0.27 -3.48 0.00 -1.10 -1.94 105.19 100.09 1upc n GLY 82 Ca 0.06 0.24 0.15 0.00 0.00 0.00 0.00 46.02 46.47 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 0.07 1.61 0.13 -1.86 -2.14 132.00 129.81 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 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1upc h PRO 83 CO 0.00 0.09 -0.03 0.78 -0.23 0.00 0.00 178.00 178.61 1upc h GLY 84 N 1.10 -0.10 1.01 1.56 0.00 -1.50 -1.64 103.07 103.50 1upc h GLY 84 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1upc h GLY 84 CO 0.01 -0.04 0.53 1.98 0.00 0.00 0.00 176.54 179.02 1upc h MET 85 N -0.19 1.09 -0.13 4.80 1.85 -0.66 -1.87 114.93 119.83 1upc h MET 85 Ca -0.01 -0.08 -0.13 0.00 -0.61 0.00 0.00 59.70 58.87 1upc h MET 85 Cb 0.16 -0.24 -0.01 0.00 0.43 0.00 0.00 31.60 31.94 1upc h MET 85 CO 0.02 0.74 -0.49 1.79 -0.40 0.00 0.00 176.91 178.57 1upc h THR 86 N 1.12 1.33 -0.10 -0.77 1.35 -1.28 -1.71 112.91 112.85 1upc h THR 86 Ca 0.30 -1.71 -0.01 0.00 -0.55 0.00 0.00 66.41 64.44 1upc h THR 86 Cb -0.10 1.77 -0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1upc h THR 86 CO -0.06 0.51 0.02 0.78 -0.25 0.00 0.00 175.52 176.52 1upc h ASN 87 N 0.27 0.15 -0.68 5.36 4.21 -1.12 -2.82 115.58 120.95 1upc h ASN 87 Ca 0.01 -0.24 0.15 0.00 1.21 0.00 0.00 56.30 57.43 1upc h ASN 87 Cb 0.95 -0.04 -0.04 0.00 -1.12 0.00 0.00 38.32 38.07 1upc h ASN 87 CO 0.08 0.35 0.46 0.25 -1.29 0.00 0.00 177.43 177.29 1upc h LEU 88 N -0.06 0.26 -2.08 1.61 6.46 -1.21 -2.82 115.31 117.47 1upc h LEU 88 Ca 0.03 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 1upc h LEU 88 Cb 0.27 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1upc h LEU 88 CO 0.00 0.14 -0.08 0.77 -0.62 0.00 0.00 178.44 178.65 1upc h SER 89 N 0.28 0.00 0.07 1.25 4.64 -1.04 0.11 113.55 118.87 1upc h SER 89 Ca 0.33 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.55 1upc h SER 89 Cb 0.90 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 1upc h SER 89 CO -0.08 0.08 -0.31 0.74 -0.87 0.00 0.00 176.83 176.39 1upc h THR 90 N 0.00 1.28 -0.33 2.95 2.02 -1.60 0.66 112.91 117.88 1upc h THR 90 Ca -0.00 -1.33 -0.05 0.00 0.77 0.00 0.00 66.41 65.80 1upc h THR 90 Cb 0.19 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1upc h THR 90 CO 0.01 0.41 0.03 1.23 0.37 0.00 0.00 175.52 177.57 1upc h GLY 91 N 1.07 0.62 1.00 2.16 0.00 -1.04 -1.33 103.07 105.56 1upc h GLY 91 Ca 0.04 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 46.94 1upc h GLY 91 CO 0.05 0.40 0.48 -2.22 0.00 0.00 0.00 176.54 175.26 1upc h ILE 92 N 0.39 1.18 -0.24 2.60 2.04 -0.81 -1.28 117.51 121.39 1upc h ILE 92 Ca 0.10 -0.34 -0.08 0.00 1.00 0.00 0.00 64.86 65.54 1upc h ILE 92 Cb 0.40 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1upc h ILE 92 CO 0.01 0.18 -0.19 0.00 0.00 0.00 0.00 178.15 178.15 1upc h ALA 93 N 1.27 1.23 -0.20 1.87 0.00 -0.79 -0.45 119.26 122.19 1upc h ALA 93 Ca 0.27 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1upc h ALA 93 Cb -0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1upc h ALA 93 CO -0.06 0.50 0.09 1.15 0.00 0.00 0.00 179.25 180.93 1upc h THR 94 N 0.39 0.99 -0.60 0.00 2.02 -0.70 -1.71 112.91 113.29 1upc h THR 94 Ca 0.07 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1upc h THR 94 Cb 0.55 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 1upc h THR 94 CO 0.04 0.04 0.21 -1.28 0.37 0.00 0.00 175.52 174.89 1upc h SER 95 N 0.20 0.83 0.34 4.18 0.87 -0.39 0.17 113.55 119.76 1upc h SER 95 Ca 0.08 -0.13 -0.29 0.00 -1.23 0.00 0.00 61.79 60.22 1upc h SER 95 Cb 0.02 -0.22 0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1upc h SER 95 CO -0.06 0.77 -1.27 1.62 -0.53 0.00 0.00 176.83 177.36 1upc h VAL 96 N 0.88 1.36 0.17 2.23 3.04 -0.95 -0.73 116.25 122.25 1upc h VAL 96 Ca 0.20 -2.70 -0.30 0.00 -1.01 0.00 0.00 66.70 62.89 1upc h VAL 96 Cb 0.23 2.83 0.02 0.00 -2.01 0.00 0.00 31.29 32.35 1upc h VAL 96 CO -0.01 0.81 -1.32 -0.07 -1.01 0.00 0.00 177.57 175.97 1upc h LEU 97 N 0.18 0.59 0.00 3.16 3.38 -1.29 -3.32 115.31 118.01 1upc h LEU 97 Ca -0.18 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.17 1upc h LEU 97 Cb 1.96 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.52 1upc h LEU 97 CO 0.23 1.48 -0.21 0.47 0.09 0.00 0.00 178.44 180.50 1upc n ASP 98 N -3.61 0.26 -2.27 -0.43 8.00 0.04 -4.42 116.55 114.11 1upc n ASP 98 Ca -0.11 0.21 -0.04 0.00 0.71 0.00 0.00 54.79 55.56 1upc n ASP 98 Cb 1.05 -0.21 0.01 0.00 -0.02 0.00 0.00 41.12 41.94 1upc n ASP 98 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1upc n ARG 99 N -1.57 -1.40 -4.10 -1.24 5.12 -0.34 -4.95 116.66 108.18 1upc n ARG 99 Ca 0.06 1.45 -0.14 0.00 -1.93 0.00 0.00 57.85 57.29 1upc n ARG 99 Cb 0.35 -3.87 -0.12 0.00 -1.16 0.00 0.00 32.46 27.65 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 -1.86 0.93 -0.97 0.55 1.04 -0.85 -4.82 113.70 107.73 1upc s SER 100 Ca 0.13 -0.48 -0.21 0.00 0.48 0.00 0.00 55.95 55.87 1upc s SER 100 Cb -0.04 0.01 0.09 0.00 0.10 0.00 0.00 66.02 66.18 1upc s SER 100 CO 0.44 -0.14 1.29 -2.16 0.98 0.00 0.00 173.24 173.65 1upc s PRO 101 N -1.36 3.58 -0.06 4.02 0.04 -1.26 -2.40 135.00 137.56 1upc s PRO 101 Ca -0.07 -1.39 0.03 0.00 0.04 0.00 0.00 61.00 59.60 1upc s PRO 101 Cb -0.09 -5.11 -0.03 0.00 0.04 0.00 0.00 34.50 29.32 1upc s PRO 101 CO 0.01 -2.00 -0.13 0.08 0.04 0.00 0.00 177.00 175.00 1upc s VAL 102 N 3.92 3.19 -0.40 -0.36 1.01 -1.20 -2.09 120.40 124.47 1upc s VAL 102 Ca 0.39 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 1upc s VAL 102 Cb -0.03 -2.27 0.04 0.00 0.00 0.00 0.00 36.38 34.12 1upc s VAL 102 CO -0.09 0.58 0.25 -0.63 0.00 0.00 0.00 175.10 175.22 1upc s ILE 103 N -0.59 4.66 -0.18 2.22 -1.09 0.12 -0.97 121.20 125.38 1upc s ILE 103 Ca 0.09 -0.98 -0.08 0.00 -2.23 0.00 0.00 60.65 57.45 1upc s ILE 103 Cb -0.11 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 1upc s ILE 103 CO 0.01 -0.35 0.08 0.00 -1.23 0.00 0.00 174.94 173.46 1upc s ALA 104 N 1.55 3.51 -0.05 9.38 0.00 -0.02 -1.64 121.76 134.50 1upc s ALA 104 Ca 0.03 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1upc s ALA 104 Cb -0.21 -1.96 0.01 0.00 0.00 0.00 0.00 23.12 20.96 1upc s ALA 104 CO 0.06 0.24 -0.08 -0.51 0.00 0.00 0.00 175.76 175.47 1upc s LEU 105 N 0.17 1.55 -0.01 0.00 1.43 -0.53 -1.68 118.68 119.61 1upc s LEU 105 Ca 0.06 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1upc s LEU 105 Cb -0.12 -0.60 0.01 0.00 0.03 0.00 0.00 46.19 45.51 1upc s LEU 105 CO -0.00 0.00 0.03 0.00 0.23 0.00 0.00 176.35 176.62 1upc s ALA 106 N 0.66 -0.07 0.72 4.21 0.00 -0.99 -0.36 121.76 125.93 1upc s ALA 106 Ca -0.11 0.11 -0.14 0.00 0.00 0.00 0.00 51.96 51.82 1upc s ALA 106 Cb -0.14 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 22.95 1upc s ALA 106 CO 0.02 -0.02 1.15 0.00 0.00 0.00 0.00 175.76 176.90 1upc s ALA 107 N 0.11 2.23 0.10 0.00 0.00 -0.23 -0.62 121.76 123.35 1upc s ALA 107 Ca -0.01 0.67 0.03 0.00 0.00 0.00 0.00 51.96 52.65 1upc s ALA 107 Cb -0.01 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1upc s ALA 107 CO -0.00 -1.68 -0.09 -1.14 0.00 0.00 0.00 175.76 172.85 1upc s GLN 108 N -4.12 0.86 0.79 0.00 2.00 -0.65 -2.90 119.66 115.64 1upc s GLN 108 Ca 0.70 -1.21 -0.16 0.00 -2.00 0.00 0.00 55.36 52.69 1upc s GLN 108 Cb -0.24 -0.48 -0.05 0.00 0.80 0.00 0.00 33.01 33.04 1upc s GLN 108 CO 0.45 0.06 0.23 0.43 -0.50 0.00 0.00 175.29 175.97 1upc n SER 109 N 0.39 -2.37 -4.59 6.67 7.64 -1.26 -1.23 113.62 118.87 1upc n SER 109 Ca -0.15 0.48 -0.47 0.00 1.01 0.00 0.00 58.87 59.75 1upc n SER 109 Cb 0.58 -1.11 -0.03 0.00 -1.01 0.00 0.00 64.21 62.65 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 -0.21 1.32 -0.33 1.43 4.71 -1.26 -4.00 120.64 122.30 1upc n GLU 110 Ca 0.07 0.47 0.11 0.00 -0.01 0.00 0.00 57.16 57.80 1upc n GLU 110 Cb 0.51 -1.93 0.29 0.00 -1.01 0.00 0.00 31.44 29.30 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 2.96 0.67 0.71 1.62 4.64 -1.90 0.29 113.55 122.54 1upc h SER 111 Ca -0.42 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1upc h SER 111 Cb 1.34 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1upc h SER 111 CO 0.67 0.23 0.00 0.00 -0.87 0.00 0.00 176.83 176.87 1upc n HIS 112 N -4.82 0.17 -0.92 4.77 1.44 -1.26 -3.33 115.22 111.27 1upc n HIS 112 Ca 0.21 0.06 0.09 0.00 -2.01 0.00 0.00 57.72 56.07 1upc n HIS 112 Cb 0.54 -0.60 0.15 0.00 0.12 0.00 0.00 29.99 30.20 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 -1.65 2.63 -4.50 4.39 2.03 0.99 -4.96 116.55 115.48 1upc n ASP 113 Ca 0.04 -2.93 -0.42 0.00 0.52 0.00 0.00 54.79 52.00 1upc n ASP 113 Cb 0.23 -0.40 -0.03 0.00 -0.72 0.00 0.00 41.12 40.20 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 -2.62 4.06 -0.45 5.18 1.01 -1.12 -4.78 121.20 122.49 1upc s ILE 114 Ca 0.30 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.84 1upc s ILE 114 Cb 0.26 -4.82 0.14 0.00 0.01 0.00 0.00 42.46 38.05 1upc s ILE 114 CO 0.04 -1.67 0.25 -0.36 0.00 0.00 0.00 174.94 173.20 1upc s PHE 115 N 4.76 2.07 0.26 3.97 0.08 -1.26 -5.06 117.98 122.80 1upc s PHE 115 Ca 0.30 -2.48 -0.30 0.00 0.12 0.00 0.00 56.93 54.56 1upc s PHE 115 Cb -0.11 -1.94 -0.13 0.00 -0.57 0.00 0.00 43.02 40.27 1upc s PHE 115 CO 0.10 -0.78 1.35 -2.30 -0.10 0.00 0.00 175.22 173.49 1upc n PRO 116 N 3.48 1.99 -1.25 0.24 -0.02 -1.26 -1.18 135.00 136.99 1upc n PRO 116 Ca 0.09 0.71 -0.09 0.00 -2.02 0.00 0.00 63.50 62.19 1upc n PRO 116 Cb 0.35 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.46 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 1.77 -4.72 0.03 2.55 3.02 0.25 -4.74 115.26 113.43 1upc n ASN 117 Ca 0.10 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1upc n ASN 117 Cb 0.32 -2.99 0.00 0.00 -0.61 0.00 0.00 39.78 36.51 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 -0.33 0.05 -4.76 6.41 8.00 -0.41 -5.05 116.55 120.46 1upc n ASP 118 Ca -0.09 0.11 -0.41 0.00 0.71 0.00 0.00 54.79 55.11 1upc n ASP 118 Cb 0.40 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.52 1upc n ASP 118 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1upc s THR 119 N -2.00 2.97 -0.23 -3.53 2.01 -0.32 -4.91 115.64 109.62 1upc s THR 119 Ca 0.00 0.92 -0.41 0.00 0.31 0.00 0.00 61.69 62.51 1upc s THR 119 Cb 0.00 -3.59 -0.18 0.00 0.01 0.00 0.00 72.50 68.75 1upc s THR 119 CO 0.00 0.20 1.52 1.57 -0.69 0.00 0.00 174.62 177.22 1upc n HIS 120 N 1.40 1.64 -1.28 4.92 -0.00 -1.26 -1.20 115.22 119.45 1upc n HIS 120 Ca 0.02 0.82 -0.10 0.00 0.46 0.00 0.00 57.72 58.92 1upc n HIS 120 Cb 0.42 -2.31 -0.04 0.00 -0.12 0.00 0.00 29.99 27.94 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 3.83 -1.48 -3.30 1.57 6.02 -1.26 -4.93 117.38 117.84 1upc n GLN 121 Ca 0.25 0.80 -0.41 0.00 -0.01 0.00 0.00 57.00 57.64 1upc n GLN 121 Cb 0.08 -5.08 -0.08 0.00 1.02 0.00 0.00 30.24 26.17 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 2.25 2.75 -1.31 0.00 1.43 -1.26 -0.59 118.68 121.95 1upc s LEU 123 Ca 0.16 -0.80 -0.14 0.00 -1.03 0.00 0.00 54.13 52.32 1upc s LEU 123 Cb -0.16 -1.37 0.11 0.00 0.03 0.00 0.00 46.19 44.80 1upc s LEU 123 CO 0.12 0.07 1.81 -0.67 0.23 0.00 0.00 176.35 177.92 1upc n ASP 124 N -0.23 4.78 -0.28 2.29 -0.08 -1.26 -4.84 116.55 116.93 1upc n ASP 124 Ca -0.09 -2.95 0.06 0.00 -1.51 0.00 0.00 54.79 50.30 1upc n ASP 124 Cb 0.57 -1.63 0.21 0.00 2.34 0.00 0.00 41.12 42.61 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 6.75 0.43 -0.63 1.67 0.02 -1.99 -1.83 113.55 117.97 1upc h SER 125 Ca 0.44 0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 61.39 1upc h SER 125 Cb 0.77 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 1upc h SER 125 CO 1.54 0.17 0.04 0.58 -1.14 0.00 0.00 176.83 178.02 1upc h VAL 126 N 0.55 1.27 -0.07 2.27 2.07 -1.91 0.34 116.25 120.77 1upc h VAL 126 Ca 0.44 -1.12 -0.13 0.00 0.82 0.00 0.00 66.70 66.72 1upc h VAL 126 Cb 0.64 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1upc h VAL 126 CO -0.38 0.41 -0.52 0.00 0.02 0.00 0.00 177.57 177.10 1upc h ALA 127 N 1.01 1.00 -0.03 1.67 0.00 -1.77 -0.50 119.26 120.64 1upc h ALA 127 Ca 0.18 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 1upc h ALA 127 Cb 0.52 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1upc h ALA 127 CO 0.03 0.67 -0.60 0.82 0.00 0.00 0.00 179.25 180.17 1upc h ILE 128 N 0.14 1.40 0.00 0.00 2.04 -1.10 -3.36 117.51 116.64 1upc h ILE 128 Ca 0.00 -2.01 -0.20 0.00 1.00 0.00 0.00 64.86 63.65 1upc h ILE 128 Cb 0.97 2.46 -0.03 0.00 -0.74 0.00 0.00 36.82 39.48 1upc h ILE 128 CO 0.08 0.59 -1.15 0.58 0.00 0.00 0.00 178.15 178.25 1upc h VAL 129 N -0.01 1.07 -0.91 1.67 2.07 -0.92 -3.38 116.25 115.84 1upc h VAL 129 Ca -0.07 -2.69 0.13 0.00 0.82 0.00 0.00 66.70 64.89 1upc h VAL 129 Cb 1.29 2.48 -0.09 0.00 -1.52 0.00 0.00 31.29 33.45 1upc h VAL 129 CO 0.12 0.61 0.52 0.00 0.02 0.00 0.00 177.57 178.84 1upc h ALA 130 N 1.19 1.37 0.00 1.67 0.00 -1.23 -0.40 119.26 121.87 1upc h ALA 130 Ca -0.11 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1upc h ALA 130 Cb 1.71 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1upc h ALA 130 CO 0.09 0.06 0.00 -1.35 0.00 0.00 0.00 179.25 178.04 1upc h PRO 131 N 0.79 0.00 -0.22 0.00 0.11 -1.77 -3.06 132.00 127.85 1upc h PRO 131 Ca 0.47 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.45 1upc h PRO 131 Cb 0.56 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.59 1upc h PRO 131 CO -0.31 0.00 -0.35 0.00 -0.21 0.00 0.00 178.00 177.14 1upc n MET 132 N -2.79 1.87 -3.90 1.05 0.00 -0.18 -5.04 117.12 108.13 1upc n MET 132 Ca -0.01 -3.34 -0.09 0.00 0.00 0.00 0.00 57.70 54.26 1upc n MET 132 Cb 0.17 -1.76 -0.06 0.00 0.00 0.00 0.00 33.22 31.57 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 -2.98 -0.00 0.36 3.17 1.04 -1.11 -4.61 113.70 109.57 1upc s SER 133 Ca 0.42 -0.77 0.19 0.00 0.48 0.00 0.00 55.95 56.27 1upc s SER 133 Cb 0.39 0.45 0.27 0.00 0.10 0.00 0.00 66.02 67.23 1upc s SER 133 CO -0.03 -0.90 1.55 0.11 0.98 0.00 0.00 173.24 174.95 1upc h LYS 134 N 2.51 0.00 -1.71 4.02 1.79 -0.38 -3.47 116.57 119.33 1upc h LYS 134 Ca -0.32 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.19 1upc h LYS 134 Cb 1.23 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.64 1upc h LYS 134 CO 0.47 0.27 0.38 -0.47 -1.08 0.00 0.00 179.45 179.02 1upc s TYR 135 N -3.13 -0.54 -0.22 -1.35 5.04 -1.25 -4.93 117.35 110.96 1upc s TYR 135 Ca 0.05 1.27 -0.13 0.00 -2.44 0.00 0.00 57.07 55.82 1upc s TYR 135 Cb 0.07 0.35 0.07 0.00 0.35 0.00 0.00 41.96 42.80 1upc s TYR 135 CO 0.70 -0.30 0.55 0.00 -1.34 0.00 0.00 175.55 175.16 1upc s ALA 136 N 0.04 -1.45 0.10 3.97 0.00 -1.26 -0.52 121.76 122.63 1upc s ALA 136 Ca 0.01 1.96 -0.19 0.00 0.00 0.00 0.00 51.96 53.74 1upc s ALA 136 Cb -0.04 -1.17 0.04 0.00 0.00 0.00 0.00 23.12 21.95 1upc s ALA 136 CO -0.03 -0.32 0.45 0.54 0.00 0.00 0.00 175.76 176.40 1upc s VAL 137 N 1.49 0.05 -0.11 0.00 0.11 -0.93 -4.98 120.40 116.03 1upc s VAL 137 Ca -0.10 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 58.54 1upc s VAL 137 Cb -0.07 -1.06 -0.02 0.00 -1.53 0.00 0.00 36.38 33.70 1upc s VAL 137 CO -0.16 -0.23 -0.11 -0.70 -3.33 0.00 0.00 175.10 170.58 1upc s GLU 138 N -3.23 3.14 0.19 1.54 2.12 -1.26 -0.89 118.70 120.31 1upc s GLU 138 Ca -0.01 -0.64 -0.31 0.00 0.36 0.00 0.00 54.97 54.38 1upc s GLU 138 Cb 0.00 -2.62 -0.09 0.00 0.26 0.00 0.00 34.13 31.68 1upc s GLU 138 CO -0.08 0.38 1.41 -1.17 -0.54 0.00 0.00 175.26 175.26 1upc s LEU 139 N -0.07 4.39 0.00 2.70 2.96 0.07 -4.92 118.68 123.81 1upc s LEU 139 Ca -0.01 2.50 0.00 0.00 -0.22 0.00 0.00 54.13 56.40 1upc s LEU 139 Cb -0.14 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1upc s LEU 139 CO 0.03 -0.66 0.00 0.00 -1.32 0.00 0.00 176.35 174.40 1upc n GLN 140 N 3.06 2.91 -3.79 1.98 6.02 -1.26 -4.56 117.38 121.74 1upc n GLN 140 Ca 0.09 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.83 1upc n GLN 140 Cb 0.41 -0.91 -0.17 0.00 1.02 0.00 0.00 30.24 30.59 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 -1.83 0.78 0.31 -1.09 0.52 -1.26 -5.07 118.95 111.31 1upc s ARG 141 Ca 0.00 -0.05 0.07 0.00 -0.52 0.00 0.00 55.73 55.23 1upc s ARG 141 Cb 0.00 -1.28 0.87 0.00 0.52 0.00 0.00 34.95 35.07 1upc s ARG 141 CO 0.00 -0.35 1.62 -1.35 0.02 0.00 0.00 175.30 175.24 1upc h PRO 142 N 8.29 0.15 0.00 3.54 0.11 -1.84 -1.90 132.00 140.35 1upc h PRO 142 Ca -0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1upc h PRO 142 Cb 1.12 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1upc h PRO 142 CO 0.30 0.10 0.00 1.12 -0.21 0.00 0.00 178.00 179.31 1upc h HIS 143 N 0.16 0.00 0.00 0.65 2.07 -1.84 -2.22 115.15 113.97 1upc h HIS 143 Ca 0.63 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.15 1upc h HIS 143 Cb 1.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.37 1upc h HIS 143 CO -0.23 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.02 1upc n GLU 144 N -2.88 0.34 0.15 5.12 1.02 -0.72 -3.54 120.64 120.14 1upc n GLU 144 Ca 0.02 0.09 0.05 0.00 -0.02 0.00 0.00 57.16 57.30 1upc n GLU 144 Cb 0.35 -1.50 0.49 0.00 -0.02 0.00 0.00 31.44 30.76 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 1.10 0.33 -3.67 6.09 -1.57 -1.38 117.51 118.42 1upc h ILE 145 Ca 0.00 -0.40 -0.02 0.00 -1.37 0.00 0.00 64.86 63.07 1upc h ILE 145 Cb 0.14 1.03 0.00 0.00 0.47 0.00 0.00 36.82 38.46 1upc h ILE 145 CO 0.00 0.13 -0.16 0.74 -3.07 0.00 0.00 178.15 175.79 1upc h THR 146 N 0.19 0.68 0.00 2.19 2.02 -1.82 -1.90 112.91 114.26 1upc h THR 146 Ca 0.05 -0.01 -0.07 0.00 0.77 0.00 0.00 66.41 67.14 1upc h THR 146 Cb 0.17 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1upc h THR 146 CO 0.00 0.00 -0.34 -2.24 0.37 0.00 0.00 175.52 173.32 1upc h ASP 147 N -0.45 0.00 -0.20 4.18 3.04 -1.62 -2.54 116.42 118.83 1upc h ASP 147 Ca -0.05 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.71 1upc h ASP 147 Cb 0.34 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.63 1upc h ASP 147 CO 0.07 0.34 -0.01 -0.07 -2.04 0.00 0.00 179.24 177.53 1upc h LEU 148 N 0.00 0.35 -0.59 0.15 3.38 -1.21 -0.53 115.31 116.87 1upc h LEU 148 Ca -0.00 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.71 1upc h LEU 148 Cb 0.69 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1upc h LEU 148 CO 0.04 0.58 0.28 0.58 0.09 0.00 0.00 178.44 180.02 1upc h VAL 149 N 0.11 0.89 -0.78 1.22 2.07 -1.21 -0.14 116.25 118.41 1upc h VAL 149 Ca 0.06 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1upc h VAL 149 Cb 0.41 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1upc h VAL 149 CO 0.01 0.09 0.34 0.44 0.02 0.00 0.00 177.57 178.47 1upc h ASP 150 N 0.52 1.05 0.23 0.57 3.32 -1.33 -1.04 116.42 119.74 1upc h ASP 150 Ca 0.28 -0.14 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 1upc h ASP 150 Cb 0.24 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1upc h ASP 150 CO -0.22 0.91 -0.46 0.28 -1.72 0.00 0.00 179.24 178.04 1upc h SER 151 N 1.12 0.30 0.57 6.45 0.02 -0.49 0.16 113.55 121.68 1upc h SER 151 Ca 0.26 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1upc h SER 151 Cb 0.17 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.63 1upc h SER 151 CO -0.03 0.72 -0.28 0.00 -1.14 0.00 0.00 176.83 176.10 1upc h ALA 152 N 1.30 -0.77 -0.54 3.77 0.00 -0.51 -2.04 119.26 120.46 1upc h ALA 152 Ca 0.01 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.84 1upc h ALA 152 Cb 0.90 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 1upc h ALA 152 CO 0.07 -0.88 -0.00 0.28 0.00 0.00 0.00 179.25 178.72 1upc h VAL 153 N -0.88 0.56 -0.48 0.00 2.07 -1.15 0.11 116.25 116.48 1upc h VAL 153 Ca -0.08 -0.04 0.10 0.00 0.82 0.00 0.00 66.70 67.50 1upc h VAL 153 Cb 0.63 0.44 -0.10 0.00 -1.52 0.00 0.00 31.29 30.74 1upc h VAL 153 CO 0.13 0.02 -0.16 0.78 0.02 0.00 0.00 177.57 178.37 1upc h ASN 154 N 0.11 -0.56 0.59 0.57 2.35 -0.86 -0.60 115.58 117.19 1upc h ASN 154 Ca 0.28 0.16 -0.22 0.00 -0.55 0.00 0.00 56.30 55.96 1upc h ASN 154 Cb 0.43 0.34 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 1upc h ASN 154 CO -0.46 -0.19 -0.99 0.00 -1.65 0.00 0.00 177.43 174.14 1upc h ALA 155 N 1.39 0.37 -0.43 -0.83 0.00 -0.63 -3.12 119.26 116.02 1upc h ALA 155 Ca 0.23 -0.78 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 1upc h ALA 155 Cb 0.40 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1upc h ALA 155 CO -0.52 0.94 -0.15 0.00 0.00 0.00 0.00 179.25 179.52 1upc h ALA 156 N 0.84 0.94 -0.37 0.00 0.00 -0.59 -3.07 119.26 117.00 1upc h ALA 156 Ca -0.07 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 1upc h ALA 156 Cb 1.66 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 1upc h ALA 156 CO 0.16 0.62 0.05 -1.33 0.00 0.00 0.00 179.25 178.75 1upc n MET 157 N -4.14 3.07 -4.40 0.00 2.00 -0.25 -2.34 117.12 111.05 1upc n MET 157 Ca 0.01 -1.83 -0.35 0.00 0.00 0.00 0.00 57.70 55.53 1upc n MET 157 Cb 0.39 -1.91 -0.10 0.00 0.00 0.00 0.00 33.22 31.60 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 -2.02 4.24 0.20 2.03 2.01 -1.16 -0.86 115.64 120.08 1upc s THR 158 Ca 0.32 -0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.72 1upc s THR 158 Cb 0.25 -2.78 -0.08 0.00 0.01 0.00 0.00 72.50 69.90 1upc s THR 158 CO 0.09 0.59 1.00 -1.61 -0.69 0.00 0.00 174.62 174.00 1upc s GLU 159 N -0.93 4.73 -0.05 4.92 0.41 -0.20 -2.51 118.70 125.07 1upc s GLU 159 Ca 0.14 1.58 -0.30 0.00 -0.41 0.00 0.00 54.97 55.97 1upc s GLU 159 Cb -0.11 -3.29 -0.03 0.00 -1.78 0.00 0.00 34.13 28.92 1upc s GLU 159 CO 0.03 0.31 1.07 -1.25 -0.49 0.00 0.00 175.26 174.93 1upc s PRO 160 N -0.77 4.44 0.84 0.39 0.04 -1.26 -4.82 135.00 133.86 1upc s PRO 160 Ca 0.45 1.51 -0.11 0.00 0.04 0.00 0.00 61.00 62.89 1upc s PRO 160 Cb -0.27 -3.51 0.10 0.00 0.04 0.00 0.00 34.50 30.87 1upc s PRO 160 CO 0.33 -0.28 1.14 0.14 0.04 0.00 0.00 177.00 178.37 1upc s VAL 161 N 1.74 2.44 -0.09 -0.36 -7.23 -1.05 -4.97 120.40 110.88 1upc s VAL 161 Ca 0.52 0.16 -0.30 0.00 -1.81 0.00 0.00 61.98 60.55 1upc s VAL 161 Cb -0.22 -2.39 0.10 0.00 0.56 0.00 0.00 36.38 34.43 1upc s VAL 161 CO 0.22 -0.18 1.34 0.61 -0.31 0.00 0.00 175.10 176.79 1upc n GLY 162 N -0.14 0.09 3.81 2.32 0.00 -0.99 -3.88 105.19 106.40 1upc n GLY 162 Ca 0.11 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.00 4.29 -0.04 1.61 0.04 -1.21 -3.24 135.00 134.45 1upc s PRO 163 Ca 0.32 1.00 0.05 0.00 0.04 0.00 0.00 61.00 62.41 1upc s PRO 163 Cb -0.00 -2.64 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 1upc s PRO 163 CO -0.03 0.24 -0.18 -1.12 0.04 0.00 0.00 177.00 175.95 1upc s SER 164 N -1.86 2.27 -0.06 6.66 0.01 -0.14 0.37 113.70 120.95 1upc s SER 164 Ca 0.51 -0.37 0.04 0.00 1.31 0.00 0.00 55.95 57.44 1upc s SER 164 Cb -0.14 -0.58 -0.02 0.00 0.21 0.00 0.00 66.02 65.48 1upc s SER 164 CO 0.20 0.17 -0.18 0.12 0.41 0.00 0.00 173.24 173.96 1upc s PHE 165 N -0.05 2.61 -0.12 2.43 5.36 0.32 -0.84 117.98 127.69 1upc s PHE 165 Ca -0.02 -0.36 -0.01 0.00 -0.96 0.00 0.00 56.93 55.58 1upc s PHE 165 Cb -0.11 -1.63 0.03 0.00 -0.34 0.00 0.00 43.02 40.97 1upc s PHE 165 CO 0.02 0.03 -0.04 0.42 -1.46 0.00 0.00 175.22 174.19 1upc s ILE 166 N -0.47 0.82 0.03 3.12 1.01 -0.68 -2.18 121.20 122.85 1upc s ILE 166 Ca 0.06 -0.27 -0.19 0.00 0.00 0.00 0.00 60.65 60.24 1upc s ILE 166 Cb -0.12 -0.96 -0.06 0.00 0.01 0.00 0.00 42.46 41.34 1upc s ILE 166 CO 0.01 0.24 0.56 -0.55 0.00 0.00 0.00 174.94 175.20 1upc s SER 167 N 1.78 6.98 -0.43 3.58 0.15 -0.07 -2.33 113.70 123.36 1upc s SER 167 Ca 0.04 1.17 0.02 0.00 0.70 0.00 0.00 55.95 57.87 1upc s SER 167 Cb -0.13 -2.35 0.13 0.00 -1.71 0.00 0.00 66.02 61.96 1upc s SER 167 CO -0.07 0.20 0.23 -0.76 1.20 0.00 0.00 173.24 174.04 1upc s LEU 168 N -0.66 2.64 0.18 3.45 1.43 0.20 -0.75 118.68 125.17 1upc s LEU 168 Ca 0.29 -2.56 -0.33 0.00 -1.03 0.00 0.00 54.13 50.50 1upc s LEU 168 Cb -0.18 -1.02 -0.15 0.00 0.03 0.00 0.00 46.19 44.87 1upc s LEU 168 CO 0.17 -0.28 1.32 -2.65 0.23 0.00 0.00 176.35 175.14 1upc n PRO 169 N 3.62 1.55 -0.24 1.29 -0.02 -1.26 -1.63 135.00 138.30 1upc n PRO 169 Ca 0.08 0.55 -0.03 0.00 -2.02 0.00 0.00 63.50 62.09 1upc n PRO 169 Cb 0.35 -2.16 0.09 0.00 -0.02 0.00 0.00 33.50 31.76 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 3.01 1.05 -0.42 -1.45 2.07 -1.30 -1.46 116.25 117.74 1upc h VAL 170 Ca -0.45 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 66.86 1upc h VAL 170 Cb 1.31 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 1upc h VAL 170 CO 0.75 0.15 0.13 -2.24 0.02 0.00 0.00 177.57 176.37 1upc h ASP 171 N 0.80 0.10 -0.15 0.57 2.03 -1.88 -2.67 116.42 115.23 1upc h ASP 171 Ca 0.29 0.06 -0.11 0.00 -0.73 0.00 0.00 57.03 56.54 1upc h ASP 171 Cb 0.08 0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 38.62 1upc h ASP 171 CO -0.13 0.09 -0.27 -0.07 -1.03 0.00 0.00 179.24 177.83 1upc h LEU 172 N 0.28 0.63 -0.88 0.15 3.38 -1.73 -2.59 115.31 114.55 1upc h LEU 172 Ca 0.20 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1upc h LEU 172 Cb 0.21 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1upc h LEU 172 CO -0.23 0.88 0.36 0.25 0.09 0.00 0.00 178.44 179.79 1upc h LEU 173 N 0.54 1.07 -1.60 1.67 5.85 -1.12 -2.63 115.31 119.09 1upc h LEU 173 Ca 0.07 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1upc h LEU 173 Cb 0.74 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1upc h LEU 173 CO 0.06 0.92 0.00 0.61 -0.34 0.00 0.00 178.44 179.69 1upc n GLY 174 N -0.98 1.08 3.88 3.75 0.00 -1.02 -1.06 105.19 110.83 1upc n GLY 174 Ca 0.08 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.91 6.46 0.00 1.61 0.15 -0.99 -4.83 113.70 115.18 1upc s SER 175 Ca 0.27 0.53 0.26 0.00 0.70 0.00 0.00 55.95 57.71 1upc s SER 175 Cb 0.15 -2.09 0.66 0.00 -1.71 0.00 0.00 66.02 63.03 1upc s SER 175 CO 0.17 0.36 1.51 -1.54 1.20 0.00 0.00 173.24 174.93 1upc n SER 176 N 1.69 1.11 -4.66 5.45 3.41 -1.26 -2.05 113.62 117.31 1upc n SER 176 Ca -0.17 -0.93 -0.52 0.00 -0.26 0.00 0.00 58.87 57.00 1upc n SER 176 Cb 0.54 0.18 -0.06 0.00 -0.26 0.00 0.00 64.21 64.62 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 -0.63 1.58 -0.99 4.33 2.13 -1.26 -1.71 120.64 124.10 1upc n GLU 177 Ca 0.12 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.51 1upc n GLU 177 Cb 0.36 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.77 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 3.60 0.90 3.43 8.31 0.00 -1.26 -4.11 105.19 116.06 1upc n GLY 178 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.62 4.68 -0.24 -0.61 1.01 -0.69 -4.70 121.20 117.03 1upc s ILE 179 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.15 1upc s ILE 179 Cb 0.00 -3.46 0.06 0.00 0.01 0.00 0.00 42.46 39.07 1upc s ILE 179 CO 0.00 -0.03 -0.11 -1.81 0.00 0.00 0.00 174.94 172.99 1upc s ASP 180 N 1.61 4.16 -0.37 3.58 1.11 -1.26 -5.03 116.67 120.48 1upc s ASP 180 Ca 0.04 -1.26 -0.16 0.00 0.18 0.00 0.00 52.55 51.35 1upc s ASP 180 Cb -0.18 -1.45 -0.00 0.00 1.07 0.00 0.00 42.92 42.36 1upc s ASP 180 CO 0.07 -0.18 0.39 -0.89 1.18 0.00 0.00 175.17 175.74 1upc s THR 181 N 1.19 5.13 -0.30 -1.27 2.01 -1.26 -5.01 115.64 116.14 1upc s THR 181 Ca -0.07 -0.06 -0.00 0.00 0.31 0.00 0.00 61.69 61.87 1upc s THR 181 Cb -0.19 -3.90 0.14 0.00 0.01 0.00 0.00 72.50 68.56 1upc s THR 181 CO -0.06 -0.20 0.30 -2.16 -0.69 0.00 0.00 174.62 171.80 1upc s PRO 184 N 2.07 0.36 -0.02 4.92 0.04 -1.26 -5.30 135.00 135.81 1upc s PRO 184 Ca 0.12 -0.27 -0.30 0.00 0.04 0.00 0.00 61.00 60.59 1upc s PRO 184 Cb -0.17 -0.69 -0.05 0.00 0.04 0.00 0.00 34.50 33.64 1upc s PRO 184 CO 0.12 -1.05 1.37 -0.80 0.04 0.00 0.00 177.00 176.68 1upc s ASN 185 N 2.21 6.88 0.94 6.66 -0.87 -1.26 -5.02 114.94 124.49 1upc s ASN 185 Ca 0.10 2.04 -0.11 0.00 -1.57 0.00 0.00 52.86 53.32 1upc s ASN 185 Cb -0.14 -2.56 0.16 0.00 -0.02 0.00 0.00 41.25 38.69 1upc s ASN 185 CO -0.29 -0.71 1.10 -2.16 -2.57 0.00 0.00 177.10 172.47 1upc s PRO 186 N 2.51 0.87 0.46 -0.60 0.04 -1.26 -4.96 135.00 132.06 1upc s PRO 186 Ca 0.62 1.14 -0.22 0.00 0.04 0.00 0.00 61.00 62.58 1upc s PRO 186 Cb -0.30 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 1upc s PRO 186 CO 0.25 -2.60 1.09 -1.25 0.04 0.00 0.00 177.00 174.53 1upc s PRO 187 N -4.73 3.84 -0.04 0.56 0.05 -1.26 -4.97 135.00 128.44 1upc s PRO 187 Ca 0.65 1.57 -0.22 0.00 0.05 0.00 0.00 61.00 63.06 1upc s PRO 187 Cb -0.21 -2.32 -0.30 0.00 0.05 0.00 0.00 34.50 31.72 1upc s PRO 187 CO 0.59 -0.44 0.92 0.00 0.05 0.00 0.00 177.00 178.12 1upc h ALA 188 N 1.95 -0.07 -3.24 8.56 0.00 -1.93 -3.48 119.26 121.06 1upc h ALA 188 Ca -0.49 -0.68 -0.34 0.00 0.00 0.00 0.00 54.91 53.40 1upc h ALA 188 Cb 1.23 0.09 0.02 0.00 0.00 0.00 0.00 17.79 19.14 1upc h ALA 188 CO 0.60 0.37 -0.48 0.09 0.00 0.00 0.00 179.25 179.83 1upc n ASN 189 N -4.14 -5.24 -4.69 0.00 3.02 -1.26 -4.88 115.26 98.07 1upc n ASN 189 Ca -0.13 -0.15 -0.51 0.00 -0.03 0.00 0.00 54.58 53.76 1upc n ASN 189 Cb 0.80 -4.18 -0.05 0.00 -0.61 0.00 0.00 39.78 35.74 1upc n ASN 189 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1upc n THR 190 N -4.19 0.46 -1.70 3.41 -1.04 -1.26 -4.85 114.28 105.11 1upc n THR 190 Ca -0.14 -0.08 -0.43 0.00 -2.04 0.00 0.00 64.05 61.35 1upc n THR 190 Cb 0.62 -1.67 -0.02 0.00 -1.82 0.00 0.00 70.33 67.44 1upc n THR 190 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1upc n PRO 191 N 6.02 2.34 0.09 -2.82 -0.02 -1.26 -4.89 135.00 134.46 1upc n PRO 191 Ca 0.23 0.83 -0.02 0.00 -2.02 0.00 0.00 63.50 62.52 1upc n PRO 191 Cb 0.25 -2.55 -0.05 0.00 -0.02 0.00 0.00 33.50 31.13 1upc n PRO 191 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1upc h ALA 192 N 4.54 0.55 -2.62 3.55 0.00 -1.93 -3.45 119.26 119.89 1upc h ALA 192 Ca -0.46 -0.71 -0.13 0.00 0.00 0.00 0.00 54.91 53.62 1upc h ALA 192 Cb 1.25 -0.06 -0.18 0.00 0.00 0.00 0.00 17.79 18.80 1upc h ALA 192 CO 0.78 0.93 -0.53 -1.59 0.00 0.00 0.00 179.25 178.85 1upc s LYS 193 N -2.84 0.57 0.23 0.00 -2.85 -1.26 -4.95 119.74 108.64 1upc s LYS 193 Ca 0.02 -0.72 -0.30 0.00 -1.00 0.00 0.00 55.97 53.97 1upc s LYS 193 Cb 0.09 0.22 -0.15 0.00 -2.06 0.00 0.00 37.83 35.93 1upc s LYS 193 CO 0.78 -0.14 1.03 -2.30 0.10 0.00 0.00 175.35 174.83 1upc n PRO 194 N 0.85 1.13 -2.35 1.78 -0.02 -1.26 -4.94 135.00 130.18 1upc n PRO 194 Ca -0.19 0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 1upc n PRO 194 Cb 0.58 -1.79 -0.03 0.00 -0.02 0.00 0.00 33.50 32.24 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 -0.65 3.81 0.43 -1.45 1.01 -0.04 -4.91 120.40 118.60 1upc s VAL 195 Ca 0.66 1.32 0.03 0.00 0.00 0.00 0.00 61.98 63.99 1upc s VAL 195 Cb -0.80 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 31.71 1upc s VAL 195 CO 0.56 0.11 0.05 -0.83 0.00 0.00 0.00 175.10 174.99 1upc s GLY 196 N 0.98 2.66 0.07 4.51 0.00 -1.26 -1.03 107.32 113.24 1upc s GLY 196 Ca 0.60 -1.24 -0.00 0.00 0.00 0.00 0.00 44.72 44.08 1upc s GLY 196 CO 0.30 -2.01 0.22 -1.34 0.00 0.00 0.00 173.10 170.27 1upc s VAL 197 N -3.02 5.37 -0.08 1.40 -7.23 -0.91 -4.96 120.40 110.98 1upc s VAL 197 Ca 0.21 -0.38 -0.03 0.00 -1.81 0.00 0.00 61.98 59.97 1upc s VAL 197 Cb 0.04 -3.63 0.04 0.00 0.56 0.00 0.00 36.38 33.39 1upc s VAL 197 CO 0.11 0.12 0.11 -0.69 -0.31 0.00 0.00 175.10 174.44 1upc s VAL 198 N -1.53 -0.17 0.18 1.32 1.01 -1.26 -3.46 120.40 116.48 1upc s VAL 198 Ca 0.35 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 1upc s VAL 198 Cb -0.13 -0.29 -0.07 0.00 0.00 0.00 0.00 36.38 35.89 1upc s VAL 198 CO 0.28 0.09 0.99 0.00 0.00 0.00 0.00 175.10 176.45 1upc s ALA 199 N 2.22 3.31 0.20 5.51 0.00 -0.24 -4.98 121.76 127.77 1upc s ALA 199 Ca 0.04 0.65 -0.31 0.00 0.00 0.00 0.00 51.96 52.34 1upc s ALA 199 Cb -0.13 -3.27 -0.15 0.00 0.00 0.00 0.00 23.12 19.57 1upc s ALA 199 CO -0.05 0.01 1.05 -3.47 0.00 0.00 0.00 175.76 173.30 1upc n ASP 200 N 2.18 1.02 -0.29 0.00 2.03 -1.26 -2.72 116.55 117.51 1upc n ASP 200 Ca 0.01 1.15 -0.04 0.00 0.52 0.00 0.00 54.79 56.43 1upc n ASP 200 Cb 0.48 -1.20 -0.02 0.00 -0.72 0.00 0.00 41.12 39.66 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 1.78 0.67 0.25 0.27 0.00 -1.26 -4.91 105.19 101.98 1upc n GLY 201 Ca 0.14 -0.57 0.10 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.47 1.61 5.08 -1.83 -2.58 115.95 117.76 1upc h TRP 202 Ca -0.08 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.83 1upc h TRP 202 Cb 0.33 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.47 1upc h TRP 202 CO 0.16 0.16 0.06 1.96 -1.28 0.00 0.00 178.44 179.50 1upc h GLN 203 N 0.00 0.79 -0.95 0.12 7.50 -1.91 0.25 115.11 120.91 1upc h GLN 203 Ca -0.00 -0.22 -0.00 0.00 0.50 0.00 0.00 58.65 58.92 1upc h GLN 203 Cb 0.38 -0.09 -0.05 0.00 0.05 0.00 0.00 27.48 27.77 1upc h GLN 203 CO 0.02 0.81 0.57 -0.22 -1.50 0.00 0.00 178.83 178.51 1upc h LYS 204 N 0.65 1.28 -0.12 1.46 3.64 -1.88 -1.58 116.57 120.03 1upc h LYS 204 Ca 0.14 -0.11 -0.20 0.00 -1.27 0.00 0.00 60.65 59.21 1upc h LYS 204 Cb 0.41 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1upc h LYS 204 CO 0.01 0.89 -0.73 0.00 -2.27 0.00 0.00 179.45 177.36 1upc h ALA 205 N 1.31 0.51 0.00 5.00 0.00 -1.25 -1.98 119.26 122.86 1upc h ALA 205 Ca 0.34 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1upc h ALA 205 Cb -0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1upc h ALA 205 CO -0.06 0.73 -0.09 0.00 0.00 0.00 0.00 179.25 179.83 1upc h ALA 206 N 0.81 1.62 0.09 0.00 0.00 -0.23 -1.96 119.26 119.59 1upc h ALA 206 Ca -0.03 -0.08 -0.28 0.00 0.00 0.00 0.00 54.91 54.52 1upc h ALA 206 Cb 1.32 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.11 1upc h ALA 206 CO 0.13 0.11 -1.17 -0.44 0.00 0.00 0.00 179.25 177.89 1upc h ASP 207 N 0.00 0.69 -0.47 0.00 3.32 -0.99 -1.82 116.42 117.16 1upc h ASP 207 Ca -0.00 -0.63 0.01 0.00 0.02 0.00 0.00 57.03 56.42 1upc h ASP 207 Cb 0.18 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1upc h ASP 207 CO 0.01 1.46 0.31 1.56 -1.72 0.00 0.00 179.24 180.86 1upc h GLN 208 N 0.22 0.60 -0.17 3.56 4.20 -1.01 -0.79 115.11 121.71 1upc h GLN 208 Ca -0.15 -0.04 -0.20 0.00 0.06 0.00 0.00 58.65 58.32 1upc h GLN 208 Cb 1.84 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.49 1upc h GLN 208 CO 0.21 0.40 -0.69 0.00 -0.67 0.00 0.00 178.83 178.08 1upc h ALA 209 N 1.71 0.45 -0.43 3.87 0.00 -1.27 -2.35 119.26 121.25 1upc h ALA 209 Ca 0.18 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1upc h ALA 209 Cb -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1upc h ALA 209 CO -0.04 0.70 0.23 0.00 0.00 0.00 0.00 179.25 180.14 1upc h ALA 210 N 0.71 1.60 -0.01 0.00 0.00 -0.90 -1.14 119.26 119.52 1upc h ALA 210 Ca -0.03 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 1upc h ALA 210 Cb 1.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1upc h ALA 210 CO 0.14 0.33 -0.79 0.00 0.00 0.00 0.00 179.25 178.93 1upc h ALA 211 N 1.67 0.64 -0.16 0.00 0.00 -0.90 -2.22 119.26 118.29 1upc h ALA 211 Ca 0.15 -0.67 -0.17 0.00 0.00 0.00 0.00 54.91 54.22 1upc h ALA 211 Cb 0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1upc h ALA 211 CO -0.02 0.88 -0.61 -0.07 0.00 0.00 0.00 179.25 179.42 1upc h LEU 212 N 0.10 0.60 -0.21 0.00 3.38 -1.20 -2.87 115.31 115.12 1upc h LEU 212 Ca -0.03 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1upc h LEU 212 Cb 1.38 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1upc h LEU 212 CO 0.12 1.07 0.07 0.25 0.09 0.00 0.00 178.44 180.03 1upc h LEU 213 N 0.40 0.30 -0.49 1.67 5.85 -0.97 -3.04 115.31 119.02 1upc h LEU 213 Ca -0.01 -0.20 0.10 0.00 0.84 0.00 0.00 57.88 58.61 1upc h LEU 213 Cb 1.16 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 42.01 1upc h LEU 213 CO 0.11 0.42 -0.28 0.00 -0.34 0.00 0.00 178.44 178.35 1upc h ALA 214 N 0.89 0.00 0.00 1.25 0.00 -1.43 -2.22 119.26 117.76 1upc h ALA 214 Ca 0.07 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1upc h ALA 214 Cb 0.23 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1upc h ALA 214 CO -0.00 -0.64 0.00 0.39 0.00 0.00 0.00 179.25 179.00 1upc n GLU 215 N -5.42 0.99 -5.25 0.00 -0.58 -1.08 -4.86 120.64 104.44 1upc n GLU 215 Ca 0.03 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.46 1upc n GLU 215 Cb 0.33 -1.27 -0.17 0.00 -0.57 0.00 0.00 31.44 29.77 1upc n GLU 215 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1upc s ALA 216 N -1.45 2.15 -0.00 0.62 0.00 -0.84 -5.05 121.76 117.19 1upc s ALA 216 Ca 0.00 -1.02 -0.20 0.00 0.00 0.00 0.00 51.96 50.74 1upc s ALA 216 Cb 0.00 -0.70 -0.25 0.00 0.00 0.00 0.00 23.12 22.16 1upc s ALA 216 CO 0.00 0.38 1.06 -0.22 0.00 0.00 0.00 175.76 176.98 1upc h LYS 217 N 6.23 0.40 -2.43 0.00 3.64 -1.89 -3.42 116.57 119.10 1upc h LYS 217 Ca -0.28 -0.47 -0.59 0.00 -1.27 0.00 0.00 60.65 58.04 1upc h LYS 217 Cb 1.19 0.14 -0.38 0.00 -0.41 0.00 0.00 32.23 32.77 1upc h LYS 217 CO 0.47 1.14 -0.94 -1.01 -2.27 0.00 0.00 179.45 176.84 1upc s HIS 218 N -3.04 1.00 0.58 1.91 3.76 -1.26 -4.25 115.29 113.99 1upc s HIS 218 Ca -0.13 -2.14 -0.12 0.00 -0.15 0.00 0.00 55.06 52.52 1upc s HIS 218 Cb 0.03 -0.93 -0.05 0.00 1.11 0.00 0.00 32.58 32.75 1upc s HIS 218 CO 0.83 -0.83 1.00 -1.25 -0.85 0.00 0.00 174.74 173.64 1upc s PRO 219 N 0.33 3.68 0.05 8.40 0.04 -1.26 -2.04 135.00 144.20 1upc s PRO 219 Ca 0.29 0.76 0.02 0.00 0.04 0.00 0.00 61.00 62.11 1upc s PRO 219 Cb -0.04 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1upc s PRO 219 CO -0.14 -0.47 -0.07 0.14 0.04 0.00 0.00 177.00 176.50 1upc s VAL 220 N -3.01 0.52 -0.30 -0.36 -7.23 -0.63 -4.12 120.40 105.27 1upc s VAL 220 Ca 0.55 -1.25 -0.11 0.00 -1.81 0.00 0.00 61.98 59.37 1upc s VAL 220 Cb -0.11 -0.81 -0.03 0.00 0.56 0.00 0.00 36.38 35.99 1upc s VAL 220 CO 0.48 -0.51 0.19 -0.76 -0.31 0.00 0.00 175.10 174.19 1upc s LEU 221 N -1.89 4.11 -0.40 1.32 1.43 -0.20 -1.72 118.68 121.34 1upc s LEU 221 Ca -0.06 -0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 52.69 1upc s LEU 221 Cb -0.07 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 44.07 1upc s LEU 221 CO -0.01 -0.11 0.35 -0.69 0.23 0.00 0.00 176.35 176.12 1upc s VAL 222 N 1.72 5.18 -0.20 -1.59 1.01 -0.22 -0.50 120.40 125.81 1upc s VAL 222 Ca 0.06 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 1upc s VAL 222 Cb -0.16 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1upc s VAL 222 CO 0.10 -0.30 0.03 -0.69 0.00 0.00 0.00 175.10 174.23 1upc s VAL 223 N 1.90 4.26 0.44 2.92 1.01 0.12 -0.28 120.40 130.77 1upc s VAL 223 Ca 0.09 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.93 1upc s VAL 223 Cb -0.18 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1upc s VAL 223 CO 0.12 0.43 0.40 -0.83 0.00 0.00 0.00 175.10 175.21 1upc s GLY 224 N 0.82 2.16 0.35 4.51 0.00 -0.57 -1.89 107.32 112.70 1upc s GLY 224 Ca 0.02 -1.82 0.04 0.00 0.00 0.00 0.00 44.72 42.95 1upc s GLY 224 CO 0.02 -1.74 1.93 0.00 0.00 0.00 0.00 173.10 173.31 1upc h ALA 225 N 0.96 1.45 -1.21 3.20 0.00 -1.88 -2.01 119.26 119.76 1upc h ALA 225 Ca -0.40 -0.14 0.35 0.00 0.00 0.00 0.00 54.91 54.72 1upc h ALA 225 Cb 1.27 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1upc h ALA 225 CO 0.57 0.42 0.86 0.00 0.00 0.00 0.00 179.25 181.10 1upc h ALA 226 N 1.55 3.07 -0.08 0.00 0.00 -1.91 0.05 119.26 121.94 1upc h ALA 226 Ca 0.15 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1upc h ALA 226 Cb 0.18 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1upc h ALA 226 CO -0.01 -1.43 -0.46 0.00 0.00 0.00 0.00 179.25 177.34 1upc h ALA 227 N 1.41 1.07 -0.15 0.00 0.00 -1.60 -1.63 119.26 118.37 1upc h ALA 227 Ca 0.59 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1upc h ALA 227 Cb 2.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.97 1upc h ALA 227 CO -0.04 0.62 -0.43 0.82 0.00 0.00 0.00 179.25 180.22 1upc h ILE 228 N 0.16 1.35 -0.85 0.00 2.04 -1.15 -1.38 117.51 117.67 1upc h ILE 228 Ca 0.01 -1.71 0.08 0.00 1.00 0.00 0.00 64.86 64.24 1upc h ILE 228 Cb 0.88 2.03 -0.07 0.00 -0.74 0.00 0.00 36.82 38.92 1upc h ILE 228 CO 0.07 0.52 0.51 0.03 0.00 0.00 0.00 178.15 179.28 1upc h ARG 229 N 0.19 0.87 0.00 2.37 3.08 -1.26 -1.93 114.38 117.69 1upc h ARG 229 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1upc h ARG 229 Cb 1.05 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1upc h ARG 229 CO 0.09 0.57 0.00 0.45 -1.07 0.00 0.00 179.97 180.02 1upc n SER 230 N -4.68 0.00 -1.21 7.04 2.88 -0.63 -4.75 113.62 112.28 1upc n SER 230 Ca 0.13 0.45 -0.10 0.00 -1.33 0.00 0.00 58.87 58.02 1upc n SER 230 Cb 0.24 -0.47 -0.00 0.00 -0.75 0.00 0.00 64.21 63.22 1upc n SER 230 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1upc n GLY 231 N -0.37 -0.03 0.98 0.46 0.00 -0.73 -4.61 105.19 100.90 1upc n GLY 231 Ca 0.03 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.64 2.44 0.30 4.61 0.00 -0.52 -4.65 120.51 121.06 1upc n ALA 232 Ca -0.11 -0.88 -0.12 0.00 0.00 0.00 0.00 53.44 52.32 1upc n ALA 232 Cb 0.59 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 19.03 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 3.57 0.00 -0.88 0.00 2.07 -1.89 0.08 116.25 119.20 1upc h VAL 233 Ca 0.00 -0.23 0.23 0.00 0.82 0.00 0.00 66.70 67.52 1upc h VAL 233 Cb 0.80 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.43 1upc h VAL 233 CO 0.00 0.00 0.25 -0.65 0.02 0.00 0.00 177.57 177.19 1upc h PRO 234 N -1.03 0.21 -0.44 1.57 0.11 -1.89 0.69 132.00 131.21 1upc h PRO 234 Ca -0.08 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.95 1upc h PRO 234 Cb 0.62 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 1upc h PRO 234 CO 0.13 0.14 0.01 0.00 -0.21 0.00 0.00 178.00 178.07 1upc h ALA 235 N 1.78 0.59 -0.06 -0.75 0.00 -1.84 -1.64 119.26 117.34 1upc h ALA 235 Ca 0.55 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1upc h ALA 235 Cb 1.11 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1upc h ALA 235 CO -0.65 0.38 0.03 0.82 0.00 0.00 0.00 179.25 179.83 1upc h ILE 236 N 0.62 1.07 -0.56 0.00 2.04 -0.05 -2.05 117.51 118.58 1upc h ILE 236 Ca 0.13 -0.20 0.11 0.00 1.00 0.00 0.00 64.86 65.89 1upc h ILE 236 Cb 0.48 1.11 -0.11 0.00 -0.74 0.00 0.00 36.82 37.56 1upc h ILE 236 CO 0.02 0.06 -0.21 -0.09 0.00 0.00 0.00 178.15 177.93 1upc h ARG 237 N 0.01 -0.07 -0.08 2.37 2.43 -0.73 -0.99 114.38 117.32 1upc h ARG 237 Ca 0.02 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 1upc h ARG 237 Cb 0.07 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1upc h ARG 237 CO -0.00 -0.05 -0.43 0.00 -1.51 0.00 0.00 179.97 177.98 1upc h ALA 238 N 1.36 1.11 -0.43 2.80 0.00 -1.18 -0.25 119.26 122.68 1upc h ALA 238 Ca 0.26 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1upc h ALA 238 Cb 0.48 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1upc h ALA 238 CO -0.61 0.60 -0.16 1.25 0.00 0.00 0.00 179.25 180.33 1upc h LEU 239 N 0.16 0.88 -0.01 0.00 5.85 -0.90 -2.32 115.31 118.98 1upc h LEU 239 Ca 0.01 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 1upc h LEU 239 Cb 0.84 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1upc h LEU 239 CO 0.07 1.07 -0.00 0.00 -0.34 0.00 0.00 178.44 179.23 1upc h ALA 240 N 0.84 0.02 -0.30 1.25 0.00 -0.71 -2.04 119.26 118.32 1upc h ALA 240 Ca 0.10 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1upc h ALA 240 Cb 0.71 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1upc h ALA 240 CO 0.05 -0.32 -0.16 0.93 0.00 0.00 0.00 179.25 179.75 1upc h GLU 241 N -0.29 -0.12 -0.23 0.00 5.08 -1.13 0.39 114.58 118.27 1upc h GLU 241 Ca 0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1upc h GLU 241 Cb 0.32 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1upc h GLU 241 CO 0.00 -0.08 0.12 -0.09 -1.00 0.00 0.00 179.01 177.96 1upc h ARG 242 N -0.12 0.33 -0.41 2.33 2.43 -1.28 -3.03 114.38 114.62 1upc h ARG 242 Ca 0.16 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1upc h ARG 242 Cb 0.36 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1upc h ARG 242 CO -0.38 0.33 0.00 1.28 -1.51 0.00 0.00 179.97 179.69 1upc n LEU 243 N -4.85 2.95 -3.73 3.80 4.77 -0.78 -4.60 117.00 114.57 1upc n LEU 243 Ca -0.03 -1.34 -0.24 0.00 -0.03 0.00 0.00 56.01 54.37 1upc n LEU 243 Cb 0.09 -0.27 0.04 0.00 -2.33 0.00 0.00 43.42 40.95 1upc n LEU 243 CO 0.35 0.67 0.05 -3.20 -1.33 0.00 0.00 177.39 173.93 1upc n ASN 244 N 1.14 -3.18 -4.62 -1.43 5.15 0.03 -1.78 115.26 110.56 1upc n ASN 244 Ca 0.19 -0.75 -0.39 0.00 -0.60 0.00 0.00 54.58 53.03 1upc n ASN 244 Cb 0.51 -4.24 -0.08 0.00 -0.53 0.00 0.00 39.78 35.43 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 -3.47 5.14 0.35 -1.44 1.01 -0.61 -4.46 121.20 117.72 1upc s ILE 245 Ca 0.31 0.70 -0.29 0.00 0.00 0.00 0.00 60.65 61.37 1upc s ILE 245 Cb -0.15 -3.75 -0.11 0.00 0.01 0.00 0.00 42.46 38.46 1upc s ILE 245 CO 0.80 0.14 1.50 -2.65 0.00 0.00 0.00 174.94 174.74 1upc n PRO 246 N 5.29 2.62 -3.69 2.79 -0.02 -1.26 -4.71 135.00 136.02 1upc n PRO 246 Ca -0.07 0.92 -0.38 0.00 -2.02 0.00 0.00 63.50 61.96 1upc n PRO 246 Cb 0.50 -2.66 -0.12 0.00 -0.02 0.00 0.00 33.50 31.21 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 -0.76 4.44 -0.05 -1.45 1.01 -0.19 -1.03 120.40 122.37 1upc s VAL 247 Ca 0.57 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1upc s VAL 247 Cb -0.49 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1upc s VAL 247 CO 0.59 0.12 -0.09 -0.63 0.00 0.00 0.00 175.10 175.08 1upc s ILE 248 N 1.59 3.50 0.28 2.22 1.01 0.34 -1.86 121.20 128.28 1upc s ILE 248 Ca 0.05 -0.60 0.09 0.00 0.00 0.00 0.00 60.65 60.18 1upc s ILE 248 Cb -0.17 -2.43 -0.06 0.00 0.01 0.00 0.00 42.46 39.82 1upc s ILE 248 CO 0.05 0.56 -0.12 0.42 0.00 0.00 0.00 174.94 175.86 1upc s THR 249 N -0.82 2.00 0.97 2.92 -4.23 -0.87 0.11 115.64 115.73 1upc s THR 249 Ca 0.13 -2.23 -0.16 0.00 -1.18 0.00 0.00 61.69 58.25 1upc s THR 249 Cb -0.11 -2.39 0.23 0.00 1.34 0.00 0.00 72.50 71.57 1upc s THR 249 CO 0.02 -0.35 1.13 0.35 -0.54 0.00 0.00 174.62 175.23 1upc n THR 250 N -0.61 0.00 -0.29 3.99 -2.24 -0.79 -2.08 114.28 112.26 1upc n THR 250 Ca -0.06 -0.73 0.03 0.00 -2.27 0.00 0.00 64.05 61.02 1upc n THR 250 Cb 0.62 -1.43 0.17 0.00 -2.10 0.00 0.00 70.33 67.58 1upc n THR 250 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1upc h TYR 251 N -2.04 0.84 -0.00 4.78 0.05 -1.85 -3.11 116.97 115.64 1upc h TYR 251 Ca -0.39 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.42 1upc h TYR 251 Cb 1.10 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.59 1upc h TYR 251 CO 0.00 0.34 -0.91 -0.89 -1.05 0.00 0.00 178.16 175.65 1upc n ILE 252 N -4.75 0.00 -0.05 -2.88 5.41 -1.26 -3.54 119.36 112.28 1upc n ILE 252 Ca 0.13 -0.05 0.06 0.00 1.00 0.00 0.00 62.75 63.90 1upc n ILE 252 Cb 0.28 1.01 0.26 0.00 -0.71 0.00 0.00 39.64 40.48 1upc n ILE 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1upc n ALA 253 N -1.41 3.06 -1.86 -1.39 0.00 -1.18 -3.63 120.51 114.10 1upc n ALA 253 Ca 0.04 -1.17 -0.41 0.00 0.00 0.00 0.00 53.44 51.90 1upc n ALA 253 Cb 0.31 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 1upc n ALA 253 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1upc s LYS 254 N -1.87 4.25 0.00 0.00 1.02 -1.22 -3.27 119.74 118.64 1upc s LYS 254 Ca 0.37 2.34 0.00 0.00 0.02 0.00 0.00 55.97 58.70 1upc s LYS 254 Cb 0.25 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 1upc s LYS 254 CO 0.16 -0.46 0.00 0.41 -0.92 0.00 0.00 175.35 174.54 1upc n GLY 255 N 2.25 0.59 0.24 -3.33 0.00 -1.26 -3.91 105.19 99.78 1upc n GLY 255 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.19 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 0.80 -3.08 1.61 -1.51 -1.81 -2.98 116.25 109.29 1upc h VAL 256 Ca 0.00 -0.63 -0.63 0.00 -1.23 0.00 0.00 66.70 64.21 1upc h VAL 256 Cb 0.00 1.38 -0.13 0.00 -2.13 0.00 0.00 31.29 30.40 1upc h VAL 256 CO 0.00 0.16 -0.70 -0.76 -1.23 0.00 0.00 177.57 175.04 1upc s LEU 257 N -7.77 3.15 0.89 4.19 1.43 -1.26 -4.81 118.68 114.51 1upc s LEU 257 Ca -0.03 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.51 1upc s LEU 257 Cb 0.14 -1.84 0.13 0.00 0.03 0.00 0.00 46.19 44.64 1upc s LEU 257 CO 0.63 0.12 1.10 -2.84 0.23 0.00 0.00 176.35 175.59 1upc s PRO 258 N -2.72 1.26 0.42 1.29 0.02 -1.26 -4.84 135.00 129.16 1upc s PRO 258 Ca 0.25 1.12 -0.25 0.00 0.02 0.00 0.00 61.00 62.14 1upc s PRO 258 Cb -0.10 -1.79 -0.08 0.00 0.02 0.00 0.00 34.50 32.56 1upc s PRO 258 CO 0.16 -2.33 1.28 0.08 -0.33 0.00 0.00 177.00 175.87 1upc s VAL 259 N -2.80 2.66 0.00 3.83 1.01 -1.26 -2.80 120.40 121.05 1upc s VAL 259 Ca 0.64 0.57 0.00 0.00 0.00 0.00 0.00 61.98 63.20 1upc s VAL 259 Cb -0.20 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1upc s VAL 259 CO 0.58 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.36 1upc n GLY 260 N 0.65 3.12 3.67 4.51 0.00 -1.26 -5.02 105.19 110.87 1upc n GLY 260 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.30 2.12 0.25 1.61 -0.00 -1.12 -4.85 115.22 111.93 1upc n HIS 261 Ca 0.00 0.49 0.10 0.00 -0.00 0.00 0.00 57.72 58.30 1upc n HIS 261 Cb 0.00 -2.43 0.65 0.00 -0.00 0.00 0.00 29.99 28.21 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 3.59 0.00 -0.01 1.57 9.09 -1.95 -2.68 114.58 124.19 1upc h GLU 262 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.96 1upc h GLU 262 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 1upc h GLU 262 CO 0.71 0.13 -0.15 1.28 0.05 0.00 0.00 179.01 181.03 1upc n LEU 263 N -3.99 1.24 -4.57 3.06 4.77 -1.26 -4.71 117.00 111.53 1upc n LEU 263 Ca -0.02 -0.37 -0.37 0.00 -0.03 0.00 0.00 56.01 55.22 1upc n LEU 263 Cb 0.22 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1upc n LEU 263 CO 0.33 0.22 1.66 0.21 -1.33 0.00 0.00 177.39 178.48 1upc s ASN 264 N -2.29 6.08 -0.02 -1.43 3.84 -1.01 -1.03 114.94 119.09 1upc s ASN 264 Ca 0.30 -1.79 0.02 0.00 0.21 0.00 0.00 52.86 51.60 1upc s ASN 264 Cb 0.20 -2.58 0.09 0.00 -0.55 0.00 0.00 41.25 38.42 1upc s ASN 264 CO 0.44 -1.94 0.75 -1.22 -2.79 0.00 0.00 177.10 172.34 1upc n TYR 265 N 10.76 0.22 -2.22 0.43 4.02 -0.78 -4.96 117.16 124.64 1upc n TYR 265 Ca 0.43 -0.08 0.00 0.00 -0.01 0.00 0.00 57.90 58.24 1upc n TYR 265 Cb 0.47 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 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 0.21 -2.19 3.84 2.72 0.00 -1.25 -4.85 105.19 103.66 1upc n GLY 266 Ca 0.03 -1.49 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.01 3.77 -0.02 4.61 0.00 -1.26 -2.06 121.76 125.79 1upc s ALA 267 Ca 0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 51.96 50.95 1upc s ALA 267 Cb 0.00 -1.68 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 1upc s ALA 267 CO 0.00 0.75 0.39 0.08 0.00 0.00 0.00 175.76 176.99 1upc s VAL 268 N -1.34 5.07 -0.02 0.00 1.01 -0.88 -4.87 120.40 119.36 1upc s VAL 268 Ca 0.28 0.80 -0.04 0.00 0.00 0.00 0.00 61.98 63.03 1upc s VAL 268 Cb -0.12 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1upc s VAL 268 CO 0.20 0.56 0.09 0.28 0.00 0.00 0.00 175.10 176.24 1upc s THR 269 N -0.94 0.03 0.60 3.92 -1.32 -1.26 -4.51 115.64 112.16 1upc s THR 269 Ca 0.23 -0.28 0.36 0.00 -1.21 0.00 0.00 61.69 60.79 1upc s THR 269 Cb -0.16 -0.23 0.39 0.00 -1.51 0.00 0.00 72.50 70.99 1upc s THR 269 CO 0.12 -0.16 2.29 1.23 -2.21 0.00 0.00 174.62 175.90 1upc h GLY 270 N 5.41 0.00 0.86 6.08 0.00 -1.92 -1.96 103.07 111.54 1upc h GLY 270 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 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 -3.47 0.00 -0.01 5.60 4.02 -1.26 -4.34 117.16 117.70 1upc n TYR 271 Ca -0.03 -0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.69 1upc n TYR 271 Cb 0.10 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.32 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 0.13 0.60 -0.95 -0.72 -0.00 -1.74 -0.77 114.93 111.48 1upc h MET 272 Ca 0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 59.70 59.15 1upc h MET 272 Cb 0.03 0.13 -0.05 0.00 -0.00 0.00 0.00 31.60 31.72 1upc h MET 272 CO 0.00 1.17 0.60 -0.44 -0.00 0.00 0.00 176.91 178.24 1upc h ASP 273 N 0.22 1.13 -0.12 -0.10 5.19 -1.79 -1.97 116.42 118.98 1upc h ASP 273 Ca -0.07 -0.05 -0.21 0.00 -0.62 0.00 0.00 57.03 56.07 1upc h ASP 273 Cb 1.36 -0.28 0.01 0.00 0.18 0.00 0.00 39.33 40.59 1upc h ASP 273 CO 0.14 0.85 -0.74 1.23 -3.12 0.00 0.00 179.24 177.60 1upc h GLY 274 N 1.31 0.84 0.99 2.75 0.00 -1.46 0.97 103.07 108.47 1upc h GLY 274 Ca 0.35 -1.16 -0.09 0.00 0.00 0.00 0.00 47.33 46.43 1upc h GLY 274 CO -0.07 1.03 -0.09 -2.22 0.00 0.00 0.00 176.54 175.19 1upc h ILE 275 N 0.53 1.27 0.00 2.60 2.04 -1.03 -3.29 117.51 119.64 1upc h ILE 275 Ca -0.04 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.64 1upc h ILE 275 Cb 1.36 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1upc h ILE 275 CO 0.15 0.40 -0.55 0.18 0.00 0.00 0.00 178.15 178.33 1upc n LEU 276 N -4.33 0.56 -3.75 1.44 4.77 -0.75 -4.96 117.00 109.98 1upc n LEU 276 Ca -0.01 0.13 -0.24 0.00 -0.03 0.00 0.00 56.01 55.86 1upc n LEU 276 Cb 0.36 -0.23 0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1upc n LEU 276 CO 0.43 0.03 -0.00 0.59 -1.33 0.00 0.00 177.39 177.11 1upc n ASN 277 N -1.79 -2.39 -3.70 -1.43 3.02 0.30 -4.96 115.26 104.31 1upc n ASN 277 Ca 0.04 -0.79 -0.14 0.00 -0.03 0.00 0.00 54.58 53.66 1upc n ASN 277 Cb 0.39 -4.07 -0.08 0.00 -0.61 0.00 0.00 39.78 35.40 1upc n ASN 277 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1upc s PHE 278 N -3.55 -0.36 -1.49 3.10 5.36 -1.01 -5.06 117.98 114.98 1upc s PHE 278 Ca 0.21 0.69 -0.13 0.00 -0.96 0.00 0.00 56.93 56.75 1upc s PHE 278 Cb -0.10 0.18 0.02 0.00 -0.34 0.00 0.00 43.02 42.77 1upc s PHE 278 CO 0.81 -0.39 2.40 -0.35 -1.46 0.00 0.00 175.22 176.23 1upc n PRO 279 N 1.65 3.12 -0.03 10.12 -0.04 -1.26 -4.34 135.00 144.21 1upc n PRO 279 Ca -0.19 -2.56 -0.17 0.00 -0.04 0.00 0.00 63.50 60.55 1upc n PRO 279 Cb 0.56 -3.14 -0.07 0.00 -0.04 0.00 0.00 33.50 30.81 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 5.72 0.32 -0.82 0.55 0.00 -1.90 -1.83 119.26 121.31 1upc h ALA 280 Ca 0.64 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1upc h ALA 280 Cb 0.55 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1upc h ALA 280 CO 1.85 0.64 0.38 -0.07 0.00 0.00 0.00 179.25 182.04 1upc h LEU 281 N 0.51 1.09 -0.54 0.00 3.38 -1.91 -1.28 115.31 116.55 1upc h LEU 281 Ca -0.04 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1upc h LEU 281 Cb 1.33 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1upc h LEU 281 CO 0.15 0.93 0.14 1.56 0.09 0.00 0.00 178.44 181.31 1upc h GLN 282 N 1.17 0.86 -0.58 1.13 1.08 -1.88 -1.36 115.11 115.52 1upc h GLN 282 Ca 0.28 -0.20 -0.08 0.00 -1.45 0.00 0.00 58.65 57.20 1upc h GLN 282 Cb 0.14 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 1upc h GLN 282 CO -0.03 0.81 0.06 1.15 -0.95 0.00 0.00 178.83 179.86 1upc h THR 283 N 0.76 1.25 -0.19 -0.54 2.02 -0.97 0.82 112.91 116.07 1upc h THR 283 Ca 0.17 -1.02 -0.17 0.00 0.77 0.00 0.00 66.41 66.16 1upc h THR 283 Cb 0.32 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1upc h THR 283 CO -0.00 0.37 -0.56 -0.03 0.37 0.00 0.00 175.52 175.68 1upc h MET 284 N 0.90 0.59 0.00 6.66 1.85 -0.99 -3.40 114.93 120.55 1upc h MET 284 Ca 0.18 -0.38 0.00 0.00 -0.61 0.00 0.00 59.70 58.89 1upc h MET 284 Cb 0.45 0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.52 1upc h MET 284 CO 0.02 0.99 -0.15 1.19 -0.40 0.00 0.00 176.91 178.55 1upc n PHE 285 N -3.96 0.00 -0.13 1.39 3.72 -0.53 -4.81 117.46 113.14 1upc n PHE 285 Ca -0.03 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.31 1upc n PHE 285 Cb 0.61 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.18 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 0.51 -0.00 4.37 0.00 -0.95 -2.21 119.26 120.97 1upc h ALA 286 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1upc h ALA 286 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1upc h ALA 286 CO 0.00 -0.19 -0.32 -0.35 0.00 0.00 0.00 179.25 178.39 1upc n PRO 287 N -4.96 0.42 -1.74 0.00 -0.04 -1.26 -2.07 135.00 125.36 1upc n PRO 287 Ca 0.02 -0.22 -0.42 0.00 -0.04 0.00 0.00 63.50 62.84 1upc n PRO 287 Cb 0.12 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.06 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 -2.74 2.05 -1.04 0.52 1.01 -0.83 -4.69 120.40 114.68 1upc s VAL 288 Ca 0.19 0.03 0.12 0.00 0.00 0.00 0.00 61.98 62.32 1upc s VAL 288 Cb 0.19 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 1upc s VAL 288 CO 0.59 0.00 0.68 -0.90 0.00 0.00 0.00 175.10 175.47 1upc n ASP 289 N 3.99 1.25 -3.69 3.32 5.68 -0.87 -4.65 116.55 121.58 1upc n ASP 289 Ca 0.16 -1.12 -0.11 0.00 -0.50 0.00 0.00 54.79 53.22 1upc n ASP 289 Cb 0.35 0.54 -0.11 0.00 -1.14 0.00 0.00 41.12 40.76 1upc n ASP 289 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1upc s LEU 290 N -1.86 -0.16 -0.18 -2.12 2.96 -1.25 -1.69 118.68 114.37 1upc s LEU 290 Ca 0.09 0.83 -0.01 0.00 -0.22 0.00 0.00 54.13 54.82 1upc s LEU 290 Cb 0.10 1.19 -0.01 0.00 0.50 0.00 0.00 46.19 47.97 1upc s LEU 290 CO 0.33 -0.20 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.36 1upc s VAL 291 N 1.76 2.99 -0.39 1.68 1.01 -0.16 -1.60 120.40 125.69 1upc s VAL 291 Ca -0.07 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 1upc s VAL 291 Cb -0.10 -2.30 0.08 0.00 0.00 0.00 0.00 36.38 34.06 1upc s VAL 291 CO -0.12 0.49 0.19 -0.76 0.00 0.00 0.00 175.10 174.90 1upc s LEU 292 N 0.99 4.90 -0.64 3.92 1.02 -0.70 -0.58 118.68 127.60 1upc s LEU 292 Ca -0.01 -1.57 -0.22 0.00 0.02 0.00 0.00 54.13 52.34 1upc s LEU 292 Cb -0.15 -1.89 0.07 0.00 0.02 0.00 0.00 46.19 44.24 1upc s LEU 292 CO -0.01 -0.48 0.93 0.42 0.02 0.00 0.00 176.35 177.23 1upc s THR 293 N 1.32 4.38 -0.43 5.49 -4.23 0.41 -1.05 115.64 121.53 1upc s THR 293 Ca 0.03 -0.33 -0.18 0.00 -1.18 0.00 0.00 61.69 60.03 1upc s THR 293 Cb -0.22 -4.64 0.02 0.00 1.34 0.00 0.00 72.50 69.00 1upc s THR 293 CO -0.00 -1.37 0.48 -0.69 -0.54 0.00 0.00 174.62 172.50 1upc s VAL 294 N 3.91 5.03 -0.02 2.29 1.01 0.62 -1.86 120.40 131.39 1upc s VAL 294 Ca 0.22 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 1upc s VAL 294 Cb -0.17 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1upc s VAL 294 CO 0.11 -0.47 0.01 0.61 0.00 0.00 0.00 175.10 175.36 1upc n GLY 295 N 5.10 0.71 3.76 4.51 0.00 0.48 -1.51 105.19 118.25 1upc n GLY 295 Ca -0.06 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.62 2.81 -0.27 1.61 5.04 -1.10 -4.08 117.35 118.74 1upc s TYR 296 Ca 0.00 1.10 -0.01 0.00 -2.44 0.00 0.00 57.07 55.72 1upc s TYR 296 Cb -0.00 -3.92 0.16 0.00 0.35 0.00 0.00 41.96 38.55 1upc s TYR 296 CO 0.01 -2.83 0.47 0.34 -1.34 0.00 0.00 175.55 172.19 1upc s ASP 297 N 0.04 -0.39 0.48 4.32 -1.08 -1.26 -4.83 116.67 113.95 1upc s ASP 297 Ca 0.56 0.34 0.25 0.00 -0.52 0.00 0.00 52.55 53.18 1upc s ASP 297 Cb -0.44 1.52 1.30 0.00 -1.46 0.00 0.00 42.92 43.83 1upc s ASP 297 CO 0.53 -0.30 1.86 0.22 0.52 0.00 0.00 175.17 178.00 1upc h TYR 298 N 8.11 0.28 -0.18 -5.34 3.20 -1.95 -1.49 116.97 119.60 1upc h TYR 298 Ca -0.18 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.75 1upc h TYR 298 Cb 1.15 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 1upc h TYR 298 CO 0.15 0.06 0.17 0.00 -1.64 0.00 0.00 178.16 176.89 1upc h ALA 299 N 1.57 1.89 0.00 1.82 0.00 -1.95 -1.90 119.26 120.70 1upc h ALA 299 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1upc h ALA 299 Cb 1.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1upc h ALA 299 CO -0.10 -0.26 0.00 0.93 0.00 0.00 0.00 179.25 179.82 1upc h GLU 300 N 0.00 0.00 0.00 0.00 5.08 -1.50 -3.28 114.58 114.88 1upc h GLU 300 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1upc h GLU 300 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1upc h GLU 300 CO -0.00 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 174.54 1upc n ASP 301 N -2.76 -1.61 -4.33 1.42 2.03 -0.71 -4.75 116.55 105.84 1upc n ASP 301 Ca 0.02 0.00 -0.46 0.00 0.52 0.00 0.00 54.79 54.87 1upc n ASP 301 Cb 0.34 -0.37 -0.04 0.00 -0.72 0.00 0.00 41.12 40.33 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 0.00 6.06 0.18 -2.67 2.96 -1.26 -4.70 118.68 119.24 1upc s LEU 302 Ca 0.00 -1.85 0.00 0.00 -0.22 0.00 0.00 54.13 52.07 1upc s LEU 302 Cb 0.00 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1upc s LEU 302 CO 0.00 -0.88 0.35 -0.13 -1.32 0.00 0.00 176.35 174.36 1upc s ARG 303 N 1.67 3.49 0.38 1.98 0.52 -1.26 -4.85 118.95 120.88 1upc s ARG 303 Ca 0.08 -0.43 0.17 0.00 -0.52 0.00 0.00 55.73 55.03 1upc s ARG 303 Cb -0.25 -2.89 1.08 0.00 0.52 0.00 0.00 34.95 33.40 1upc s ARG 303 CO 0.02 0.45 1.75 -1.35 0.02 0.00 0.00 175.30 176.19 1upc h PRO 304 N 2.12 0.40 0.00 3.54 0.11 -1.97 -1.35 132.00 134.86 1upc h PRO 304 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1upc h PRO 304 Cb 1.19 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1upc h PRO 304 CO 0.69 0.27 -0.05 0.66 -0.21 0.00 0.00 178.00 179.35 1upc h SER 305 N 0.41 0.00 0.98 -2.05 4.64 -1.94 -2.25 113.55 113.35 1upc h SER 305 Ca 0.63 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.84 1upc h SER 305 Cb 1.52 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.60 1upc h SER 305 CO -0.36 0.05 -0.49 0.24 -0.87 0.00 0.00 176.83 175.41 1upc h MET 306 N 0.00 0.00 -0.02 4.77 2.86 -1.61 -3.22 114.93 117.72 1upc h MET 306 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1upc h MET 306 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1upc h MET 306 CO 0.01 0.49 -0.17 -2.67 1.06 0.00 0.00 176.91 175.62 1upc n TRP 307 N -3.47 0.00 -2.09 -0.22 2.14 -0.89 -4.71 117.44 108.20 1upc n TRP 307 Ca 0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 1upc n TRP 307 Cb 0.61 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.11 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 0.71 3.35 -4.86 -2.67 6.02 -0.93 -4.88 117.38 114.12 1upc n GLN 308 Ca 0.11 -3.16 -0.27 0.00 -0.01 0.00 0.00 57.00 53.66 1upc n GLN 308 Cb 0.49 -3.06 -0.17 0.00 1.02 0.00 0.00 30.24 28.53 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 1.43 2.19 6.10 -1.09 -0.14 -1.26 -4.99 119.74 121.97 1upc s LYS 309 Ca 0.43 -0.61 0.00 0.00 -1.36 0.00 0.00 55.97 54.42 1upc s LYS 309 Cb 0.12 -1.75 0.00 0.00 -1.68 0.00 0.00 37.83 34.52 1upc s LYS 309 CO -0.03 0.12 0.00 0.41 -0.76 0.00 0.00 175.35 175.09 1upc n GLY 310 N 3.59 1.53 3.80 -3.33 0.00 -1.26 -3.92 105.19 105.59 1upc n GLY 310 Ca -0.21 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 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 3.84 -0.05 -0.61 -4.36 -0.88 -4.96 121.20 114.18 1upc s ILE 311 Ca 0.00 1.21 -0.38 0.00 -0.26 0.00 0.00 60.65 61.22 1upc s ILE 311 Cb 0.00 -3.53 -0.16 0.00 1.25 0.00 0.00 42.46 40.03 1upc s ILE 311 CO 0.00 -0.19 1.54 -1.84 0.24 0.00 0.00 174.94 174.69 1upc n GLU 312 N -0.70 1.27 -4.07 0.37 0.28 -1.26 -4.93 120.64 111.59 1upc n GLU 312 Ca 0.08 0.46 -0.26 0.00 -0.16 0.00 0.00 57.16 57.28 1upc n GLU 312 Cb 0.52 -2.14 -0.05 0.00 1.43 0.00 0.00 31.44 31.20 1upc n GLU 312 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1upc s LYS 313 N 1.85 2.93 0.09 3.44 3.01 -1.26 -4.80 119.74 125.00 1upc s LYS 313 Ca 0.90 -0.85 -0.02 0.00 -1.01 0.00 0.00 55.97 54.98 1upc s LYS 313 Cb -0.96 -2.66 -0.05 0.00 -1.01 0.00 0.00 37.83 33.15 1upc s LYS 313 CO 0.53 0.49 0.28 0.15 0.51 0.00 0.00 175.35 177.31 1upc s LYS 314 N -3.11 3.51 0.06 1.68 -0.14 -0.68 -4.98 119.74 116.08 1upc s LYS 314 Ca 0.31 -0.29 0.08 0.00 -1.36 0.00 0.00 55.97 54.71 1upc s LYS 314 Cb -0.10 -2.96 -0.03 0.00 -1.68 0.00 0.00 37.83 33.06 1upc s LYS 314 CO 0.24 0.55 -0.23 0.95 -0.76 0.00 0.00 175.35 176.10 1upc s THR 315 N -1.57 1.87 -0.11 2.17 -4.23 -1.26 -0.99 115.64 111.51 1upc s THR 315 Ca 0.37 -1.36 -0.00 0.00 -1.18 0.00 0.00 61.69 59.53 1upc s THR 315 Cb -0.13 -1.63 0.02 0.00 1.34 0.00 0.00 72.50 72.11 1upc s THR 315 CO 0.27 0.21 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.78 1upc s VAL 316 N -0.87 1.08 -0.17 2.29 1.01 0.26 -1.86 120.40 122.13 1upc s VAL 316 Ca 0.09 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 61.60 1upc s VAL 316 Cb -0.09 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1upc s VAL 316 CO 0.03 0.38 0.32 -0.60 0.00 0.00 0.00 175.10 175.23 1upc s ARG 317 N 1.65 4.25 -0.20 2.72 3.52 -0.23 -0.44 118.95 130.22 1upc s ARG 317 Ca 0.04 0.14 0.01 0.00 -0.13 0.00 0.00 55.73 55.79 1upc s ARG 317 Cb -0.13 -3.45 0.03 0.00 -1.56 0.00 0.00 34.95 29.85 1upc s ARG 317 CO -0.08 0.18 -0.15 0.42 -0.81 0.00 0.00 175.30 174.86 1upc s ILE 318 N 0.64 1.91 -0.01 4.11 1.09 -0.77 -0.07 121.20 128.10 1upc s ILE 318 Ca 0.18 -1.05 -0.16 0.00 -1.10 0.00 0.00 60.65 58.52 1upc s ILE 318 Cb -0.13 -1.86 0.03 0.00 -1.06 0.00 0.00 42.46 39.43 1upc s ILE 318 CO 0.05 0.32 0.33 -0.55 -0.10 0.00 0.00 174.94 174.99 1upc s SER 319 N 1.30 -0.21 -0.11 3.58 0.15 -1.00 -0.39 113.70 117.02 1upc s SER 319 Ca 0.01 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.75 1upc s SER 319 Cb -0.15 0.33 0.11 0.00 -1.71 0.00 0.00 66.02 64.59 1upc s SER 319 CO -0.10 -0.47 1.69 -0.81 1.20 0.00 0.00 173.24 174.75 1upc n PRO 320 N 1.20 1.30 -3.83 5.44 -0.04 -0.91 -1.77 135.00 136.38 1upc n PRO 320 Ca -0.21 -0.62 -0.12 0.00 -0.04 0.00 0.00 63.50 62.50 1upc n PRO 320 Cb 0.56 -1.24 -0.10 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.83 0.06 0.57 0.52 -4.23 -1.26 -2.15 115.64 108.32 1upc s THR 321 Ca 0.12 -0.48 -0.20 0.00 -1.18 0.00 0.00 61.69 59.96 1upc s THR 321 Cb 0.10 -0.44 -0.04 0.00 1.34 0.00 0.00 72.50 73.46 1upc s THR 321 CO 0.01 -0.26 1.26 -0.69 -0.54 0.00 0.00 174.62 174.39 1upc s VAL 322 N -1.00 2.44 -0.17 2.29 1.01 -1.26 -4.87 120.40 118.84 1upc s VAL 322 Ca -0.11 0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 1upc s VAL 322 Cb -0.06 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1upc s VAL 322 CO 0.02 -0.04 1.84 0.21 0.00 0.00 0.00 175.10 177.13 1upc s ASN 323 N -1.37 6.16 0.04 3.32 2.47 -1.26 -4.88 114.94 119.42 1upc s ASN 323 Ca 0.75 1.89 0.27 0.00 0.42 0.00 0.00 52.86 56.20 1upc s ASN 323 Cb -0.34 -2.53 0.86 0.00 -1.45 0.00 0.00 41.25 37.80 1upc s ASN 323 CO 0.38 -1.40 1.69 -0.81 -3.72 0.00 0.00 177.10 173.24 1upc n PRO 324 N 7.92 0.07 -2.98 0.43 -0.04 -1.26 -4.46 135.00 134.68 1upc n PRO 324 Ca 0.22 0.04 -0.20 0.00 -0.04 0.00 0.00 63.50 63.51 1upc n PRO 324 Cb 0.44 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.32 1upc n PRO 324 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1upc n ILE 325 N -1.67 1.21 0.25 0.52 -5.35 -1.26 -4.89 119.36 108.17 1upc n ILE 325 Ca 0.06 -4.71 0.13 0.00 -0.27 0.00 0.00 62.75 57.96 1upc n ILE 325 Cb 0.36 -0.57 0.65 0.00 -1.74 0.00 0.00 39.64 38.34 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 2.96 0.00 0.00 6.28 0.13 -1.78 -1.29 132.00 138.30 1upc h PRO 326 Ca 0.10 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.16 1upc h PRO 326 Cb 0.85 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 1upc h PRO 326 CO 0.63 0.00 -0.32 -0.09 -0.23 0.00 0.00 178.00 177.99 1upc h ARG 327 N 0.00 0.00 0.00 0.86 2.43 -1.98 -3.35 114.38 112.34 1upc h ARG 327 Ca 0.00 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.98 1upc h ARG 327 Cb 0.13 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1upc h ARG 327 CO 0.00 0.32 -1.72 0.28 -1.51 0.00 0.00 179.97 177.35 1upc n VAL 328 N -4.04 0.72 -3.74 0.20 0.31 -0.72 -4.94 118.33 106.11 1upc n VAL 328 Ca -0.02 -0.39 -0.29 0.00 -0.01 0.00 0.00 64.34 63.64 1upc n VAL 328 Cb 0.38 -0.80 -0.16 0.00 -0.91 0.00 0.00 33.84 32.35 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 -2.25 1.36 -0.78 3.52 5.04 -0.57 -4.83 117.35 118.84 1upc s TYR 329 Ca -0.09 -1.26 -0.05 0.00 -2.44 0.00 0.00 57.07 53.23 1upc s TYR 329 Cb 0.04 -1.32 0.20 0.00 0.35 0.00 0.00 41.96 41.23 1upc s TYR 329 CO 0.38 -0.73 0.66 1.03 -1.34 0.00 0.00 175.55 175.55 1upc s ARG 330 N 1.74 3.12 0.65 4.97 0.52 -1.26 -4.16 118.95 124.53 1upc s ARG 330 Ca 0.03 -2.79 -0.18 0.00 -0.52 0.00 0.00 55.73 52.27 1upc s ARG 330 Cb -0.17 -4.01 -0.01 0.00 0.52 0.00 0.00 34.95 31.28 1upc s ARG 330 CO -0.16 -1.23 1.29 -1.25 0.02 0.00 0.00 175.30 173.98 1upc s PRO 331 N -0.48 2.57 0.32 3.54 0.04 -1.26 -4.91 135.00 134.81 1upc s PRO 331 Ca 0.21 2.06 0.06 0.00 0.04 0.00 0.00 61.00 63.37 1upc s PRO 331 Cb -0.14 -1.85 0.54 0.00 0.04 0.00 0.00 34.50 33.10 1upc s PRO 331 CO -0.07 -1.59 1.78 -0.44 0.04 0.00 0.00 177.00 176.72 1upc h ASP 332 N 0.56 0.34 -3.29 6.66 3.32 -1.76 -3.42 116.42 118.83 1upc h ASP 332 Ca -0.51 -0.11 -0.41 0.00 0.02 0.00 0.00 57.03 56.03 1upc h ASP 332 Cb 1.34 -0.09 -0.38 0.00 0.22 0.00 0.00 39.33 40.41 1upc h ASP 332 CO 0.53 0.59 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.20 1upc s VAL 333 N -4.48 0.18 -0.23 -1.35 1.01 -1.04 -5.04 120.40 109.44 1upc s VAL 333 Ca -0.06 0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.10 1upc s VAL 333 Cb 0.14 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 1upc s VAL 333 CO 0.77 0.22 0.04 -0.62 0.00 0.00 0.00 175.10 175.51 1upc s ASP 334 N 2.01 4.99 -0.40 3.32 -1.08 -1.26 -1.07 116.67 123.18 1upc s ASP 334 Ca 0.04 -0.21 0.02 0.00 -0.52 0.00 0.00 52.55 51.88 1upc s ASP 334 Cb -0.12 -1.88 0.11 0.00 -1.46 0.00 0.00 42.92 39.57 1upc s ASP 334 CO -0.04 -0.00 0.14 -0.69 0.52 0.00 0.00 175.17 175.10 1upc s VAL 335 N 1.41 2.64 -0.52 1.11 1.01 0.90 -4.91 120.40 122.04 1upc s VAL 335 Ca 0.05 -2.48 -0.18 0.00 0.00 0.00 0.00 61.98 59.38 1upc s VAL 335 Cb -0.15 -2.88 0.08 0.00 0.00 0.00 0.00 36.38 33.43 1upc s VAL 335 CO 0.02 -0.67 0.57 -0.69 0.00 0.00 0.00 175.10 174.34 1upc s VAL 336 N 0.71 4.98 0.06 2.92 1.01 -1.26 -2.39 120.40 126.43 1upc s VAL 336 Ca 0.12 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 1upc s VAL 336 Cb -0.21 -4.30 0.06 0.00 0.00 0.00 0.00 36.38 31.92 1upc s VAL 336 CO -0.06 -0.83 0.79 1.07 0.00 0.00 0.00 175.10 176.07 1upc n THR 337 N 5.46 0.00 -2.39 3.92 5.66 -0.73 -1.08 114.28 125.12 1upc n THR 337 Ca -0.09 -0.25 -0.40 0.00 -3.05 0.00 0.00 64.05 60.25 1upc n THR 337 Cb 0.44 0.46 -0.04 0.00 -1.55 0.00 0.00 70.33 69.64 1upc n THR 337 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1upc s ASP 338 N -2.80 7.12 0.04 1.09 2.15 -1.26 -2.14 116.67 120.87 1upc s ASP 338 Ca 0.18 2.36 -0.22 0.00 0.43 0.00 0.00 52.55 55.30 1upc s ASP 338 Cb -0.01 -2.63 -0.14 0.00 -0.30 0.00 0.00 42.92 39.83 1upc s ASP 338 CO 0.02 -0.26 1.45 0.58 -0.17 0.00 0.00 175.17 176.79 1upc h VAL 339 N 3.03 1.27 -0.82 1.11 2.07 -1.92 -0.71 116.25 120.28 1upc h VAL 339 Ca -0.47 -0.89 0.04 0.00 0.82 0.00 0.00 66.70 66.20 1upc h VAL 339 Cb 1.22 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 32.58 1upc h VAL 339 CO 0.66 0.25 0.52 0.25 0.02 0.00 0.00 177.57 179.28 1upc h LEU 340 N -0.09 0.85 -0.91 2.57 5.85 -1.91 0.05 115.31 121.72 1upc h LEU 340 Ca 0.03 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 1upc h LEU 340 Cb 0.40 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1upc h LEU 340 CO 0.01 0.57 -0.27 0.00 -0.34 0.00 0.00 178.44 178.41 1upc h ALA 341 N 1.36 1.07 -0.37 1.25 0.00 -1.90 -1.74 119.26 118.94 1upc h ALA 341 Ca 0.34 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1upc h ALA 341 Cb 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1upc h ALA 341 CO -0.13 0.57 0.10 0.35 0.00 0.00 0.00 179.25 180.14 1upc h PHE 342 N 0.43 0.61 -0.63 0.00 3.57 -0.03 -2.28 116.94 118.62 1upc h PHE 342 Ca 0.06 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1upc h PHE 342 Cb 0.69 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1upc h PHE 342 CO 0.02 0.60 0.10 0.28 -2.23 0.00 0.00 178.31 177.08 1upc h VAL 343 N 0.45 1.26 -0.22 1.41 2.07 -0.53 0.10 116.25 120.79 1upc h VAL 343 Ca 0.12 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1upc h VAL 343 Cb 0.28 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1upc h VAL 343 CO -0.00 0.38 0.10 -0.33 0.02 0.00 0.00 177.57 177.73 1upc h GLU 344 N 0.95 0.32 -0.48 1.57 5.08 -1.34 0.13 114.58 120.80 1upc h GLU 344 Ca 0.19 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1upc h GLU 344 Cb 0.43 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1upc h GLU 344 CO 0.01 0.35 0.26 1.25 -1.00 0.00 0.00 179.01 179.88 1upc h HIS 345 N 0.21 0.63 -0.14 4.33 2.76 -1.22 -2.56 115.15 119.16 1upc h HIS 345 Ca 0.07 -0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.06 1upc h HIS 345 Cb 0.14 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 28.89 1upc h HIS 345 CO -0.02 0.45 -0.67 0.35 -1.30 0.00 0.00 177.93 176.74 1upc h PHE 346 N 0.66 0.75 -0.01 5.26 3.57 -0.28 -1.93 116.94 124.97 1upc h PHE 346 Ca 0.17 -0.30 0.01 0.00 3.53 0.00 0.00 57.97 61.37 1upc h PHE 346 Cb 0.02 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 1upc h PHE 346 CO 0.00 1.07 -0.04 0.93 -2.23 0.00 0.00 178.31 178.05 1upc h GLU 347 N 0.41 -0.06 -0.07 1.11 4.39 -0.48 -1.33 114.58 118.55 1upc h GLU 347 Ca -0.02 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.72 1upc h GLU 347 Cb 1.25 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.86 1upc h GLU 347 CO 0.13 -0.04 -0.26 1.15 -1.16 0.00 0.00 179.01 178.83 1upc h THR 348 N -0.06 0.40 0.00 1.13 2.02 -1.28 -0.95 112.91 114.16 1upc h THR 348 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1upc h THR 348 Cb 0.09 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1upc h THR 348 CO -0.04 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.85 1upc n ALA 349 N -2.72 1.96 -1.16 6.16 0.00 -0.74 -2.83 120.51 121.18 1upc n ALA 349 Ca -0.04 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.42 1upc n ALA 349 Cb 0.29 -1.33 0.16 0.00 0.00 0.00 0.00 19.45 18.56 1upc n ALA 349 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1upc n THR 350 N -1.48 1.96 -0.02 0.00 -2.24 -0.51 -4.82 114.28 107.17 1upc n THR 350 Ca 0.05 -2.42 -0.02 0.00 -2.27 0.00 0.00 64.05 59.39 1upc n THR 350 Cb 0.23 -0.24 0.23 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.22 1.21 -0.18 6.98 0.00 -1.04 -2.89 119.26 123.57 1upc h ALA 351 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1upc h ALA 351 Cb 1.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1upc h ALA 351 CO 0.01 0.51 0.00 -1.13 0.00 0.00 0.00 179.25 178.64 1upc n SER 352 N -4.21 3.04 -4.77 0.00 3.41 -1.26 -4.98 113.62 104.86 1upc n SER 352 Ca 0.01 -1.96 -0.39 0.00 -0.26 0.00 0.00 58.87 56.27 1upc n SER 352 Cb 0.32 -0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.79 2.87 0.33 7.33 0.40 -1.09 -5.01 117.98 121.03 1upc s PHE 353 Ca 0.33 1.46 -0.27 0.00 -0.60 0.00 0.00 56.93 57.85 1upc s PHE 353 Cb 0.21 -3.58 -0.09 0.00 0.51 0.00 0.00 43.02 40.07 1upc s PHE 353 CO 0.31 -1.86 1.08 0.20 0.70 0.00 0.00 175.22 175.65 1upc s GLY 354 N -0.90 2.93 0.83 4.36 0.00 -1.26 -4.99 107.32 108.29 1upc s GLY 354 Ca 0.58 0.82 -0.13 0.00 0.00 0.00 0.00 44.72 45.99 1upc s GLY 354 CO 0.45 1.35 1.10 0.00 0.00 0.00 0.00 173.10 176.00 1upc n ALA 355 N 0.63 -0.41 -2.81 3.20 0.00 -1.26 -4.99 120.51 114.87 1upc n ALA 355 Ca 0.02 -0.38 -0.23 0.00 0.00 0.00 0.00 53.44 52.85 1upc n ALA 355 Cb 0.47 -2.19 -0.05 0.00 0.00 0.00 0.00 19.45 17.68 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 -4.07 2.89 -0.33 0.00 -0.14 -0.73 -5.00 119.74 112.36 1upc s LYS 356 Ca 0.71 -1.03 -0.24 0.00 -1.36 0.00 0.00 55.97 54.05 1upc s LYS 356 Cb -0.28 -2.56 0.00 0.00 -1.68 0.00 0.00 37.83 33.31 1upc s LYS 356 CO 0.53 0.42 0.80 -0.65 -0.76 0.00 0.00 175.35 175.69 1upc s GLN 357 N -3.66 3.88 0.42 1.68 -1.52 -1.26 -4.74 119.66 114.46 1upc s GLN 357 Ca 0.32 0.50 -0.19 0.00 -1.95 0.00 0.00 55.36 54.04 1upc s GLN 357 Cb -0.08 -3.76 -0.10 0.00 -0.22 0.00 0.00 33.01 28.84 1upc s GLN 357 CO 0.24 -0.76 0.91 -0.98 -0.25 0.00 0.00 175.29 174.45 1upc s ARG 358 N 3.05 4.15 0.54 2.91 1.70 -1.26 -4.62 118.95 125.42 1upc s ARG 358 Ca 0.33 1.00 -0.08 0.00 -0.47 0.00 0.00 55.73 56.50 1upc s ARG 358 Cb -0.14 -2.23 -0.04 0.00 -0.57 0.00 0.00 34.95 31.97 1upc s ARG 358 CO 0.14 -0.02 0.90 -3.38 -1.08 0.00 0.00 175.30 171.86 1upc s HIS 359 N -2.19 3.58 -0.24 5.89 -3.43 -1.26 -5.03 115.29 112.61 1upc s HIS 359 Ca 0.60 1.06 -0.12 0.00 -0.80 0.00 0.00 55.06 55.79 1upc s HIS 359 Cb -0.09 -2.51 -0.05 0.00 -1.43 0.00 0.00 32.58 28.50 1upc s HIS 359 CO 0.16 -0.44 0.24 0.34 -2.00 0.00 0.00 174.74 173.03 1upc s ASP 360 N -4.03 6.18 -0.09 7.38 2.15 -1.26 -4.95 116.67 122.04 1upc s ASP 360 Ca 0.51 0.19 0.13 0.00 0.43 0.00 0.00 52.55 53.82 1upc s ASP 360 Cb -0.11 -2.14 0.22 0.00 -0.30 0.00 0.00 42.92 40.59 1upc s ASP 360 CO 0.47 -0.01 1.11 2.30 -0.17 0.00 0.00 175.17 178.87 1upc n ILE 361 N 4.52 1.34 -0.25 4.11 -5.35 -1.26 -4.86 119.36 117.61 1upc n ILE 361 Ca -0.13 -1.65 0.12 0.00 -0.27 0.00 0.00 62.75 60.82 1upc n ILE 361 Cb 0.52 -0.01 0.39 0.00 -1.74 0.00 0.00 39.64 38.79 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 0.06 0.65 -0.79 6.28 4.39 -1.97 -1.59 114.58 121.60 1upc h GLU 362 Ca -0.00 -0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.73 1upc h GLU 362 Cb 1.13 -0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 29.57 1upc h GLU 362 CO 0.00 0.43 0.47 -1.35 -1.16 0.00 0.00 179.01 177.40 1upc h PRO 363 N 0.67 0.81 -0.29 2.33 0.11 -1.99 0.37 132.00 134.00 1upc h PRO 363 Ca 0.43 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.44 1upc h PRO 363 Cb 0.69 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1upc h PRO 363 CO -0.19 0.54 -0.02 1.25 -0.21 0.00 0.00 178.00 179.37 1upc h LEU 364 N 0.83 0.53 -1.01 2.35 5.85 -1.77 -2.25 115.31 119.84 1upc h LEU 364 Ca 0.36 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1upc h LEU 364 Cb 0.24 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 1upc h LEU 364 CO -0.20 0.73 0.65 0.03 -0.34 0.00 0.00 178.44 179.31 1upc h ARG 365 N 0.32 1.31 -0.32 1.25 3.08 -0.98 -0.78 114.38 118.26 1upc h ARG 365 Ca 0.08 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1upc h ARG 365 Cb 0.47 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1upc h ARG 365 CO 0.02 0.87 -0.26 0.00 -1.07 0.00 0.00 179.97 179.54 1upc h ALA 366 N 1.37 0.96 -0.37 0.04 0.00 -0.88 -1.20 119.26 119.19 1upc h ALA 366 Ca 0.36 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1upc h ALA 366 Cb -0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1upc h ALA 366 CO -0.08 0.60 -0.31 -0.09 0.00 0.00 0.00 179.25 179.37 1upc h ARG 367 N 0.55 0.81 -0.24 0.00 9.65 -0.82 -1.32 114.38 123.00 1upc h ARG 367 Ca 0.07 -0.38 -0.08 0.00 -1.10 0.00 0.00 59.98 58.49 1upc h ARG 367 Cb 0.73 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.29 1upc h ARG 367 CO 0.06 1.01 -0.17 0.82 2.80 0.00 0.00 179.97 184.49 1upc h ILE 368 N 0.68 1.31 0.00 1.20 2.04 -1.02 -2.74 117.51 118.99 1upc h ILE 368 Ca 0.07 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.62 1upc h ILE 368 Cb 0.86 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1upc h ILE 368 CO 0.08 0.40 -0.15 0.00 0.00 0.00 0.00 178.15 178.48 1upc h ALA 369 N 0.70 1.76 -0.20 1.87 0.00 -1.18 -2.31 119.26 119.90 1upc h ALA 369 Ca 0.05 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1upc h ALA 369 Cb 0.69 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1upc h ALA 369 CO 0.05 0.18 -0.19 1.49 0.00 0.00 0.00 179.25 180.78 1upc h GLU 370 N 0.00 0.48 -0.34 0.00 4.81 -1.09 -1.30 114.58 117.15 1upc h GLU 370 Ca -0.00 -0.25 0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1upc h GLU 370 Cb 0.26 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 1upc h GLU 370 CO 0.02 0.83 0.12 0.74 -0.73 0.00 0.00 179.01 179.98 1upc h PHE 371 N 0.16 0.21 -0.45 0.92 -1.00 -1.26 -1.84 116.94 113.68 1upc h PHE 371 Ca 0.03 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.79 1upc h PHE 371 Cb 0.73 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 40.23 1upc h PHE 371 CO 0.08 0.09 0.12 -0.07 -1.61 0.00 0.00 178.31 176.92 1upc h LEU 372 N 0.26 0.61 0.00 1.54 3.38 -1.34 -2.87 115.31 116.89 1upc h LEU 372 Ca 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1upc h LEU 372 Cb 0.13 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1upc h LEU 372 CO -0.16 0.60 -0.48 0.00 0.09 0.00 0.00 178.44 178.49 1upc n ALA 373 N -2.47 2.87 -0.78 1.53 0.00 -0.50 -4.77 120.51 116.39 1upc n ALA 373 Ca 0.03 -0.22 -0.34 0.00 0.00 0.00 0.00 53.44 52.92 1upc n ALA 373 Cb 0.19 -1.23 -0.08 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.02 0.39 -1.19 0.00 -0.08 -0.70 -4.82 116.55 108.13 1upc n ASP 374 Ca 0.04 0.34 0.12 0.00 -1.51 0.00 0.00 54.79 53.78 1upc n ASP 374 Cb 0.42 -0.54 0.24 0.00 2.34 0.00 0.00 41.12 43.58 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 4.64 2.56 -2.13 -0.67 -0.04 -1.26 -4.89 135.00 133.21 1upc n PRO 375 Ca 0.34 -2.38 -0.41 0.00 -0.04 0.00 0.00 63.50 61.02 1upc n PRO 375 Cb -0.01 -1.52 -0.02 0.00 -0.04 0.00 0.00 33.50 31.91 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 -1.32 4.36 -0.08 0.54 2.12 -1.26 -5.03 118.70 118.03 1upc s GLU 376 Ca 0.41 2.20 -0.17 0.00 0.36 0.00 0.00 54.97 57.77 1upc s GLU 376 Cb 0.23 -3.08 -0.05 0.00 0.26 0.00 0.00 34.13 31.49 1upc s GLU 376 CO 0.31 -0.18 0.45 0.99 -0.54 0.00 0.00 175.26 176.29 1upc s THR 377 N -1.06 5.13 0.19 -1.70 2.01 -1.26 -5.00 115.64 113.94 1upc s THR 377 Ca 0.49 0.91 0.05 0.00 0.31 0.00 0.00 61.69 63.46 1upc s THR 377 Cb -0.39 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 1upc s THR 377 CO 0.52 0.41 0.21 -0.31 -0.69 0.00 0.00 174.62 174.75 1upc s TYR 378 N 0.10 3.25 -0.01 4.92 1.51 -1.26 -5.06 117.35 120.81 1upc s TYR 378 Ca 0.25 -0.01 -0.14 0.00 -1.01 0.00 0.00 57.07 56.15 1upc s TYR 378 Cb -0.16 -1.52 -0.08 0.00 -0.11 0.00 0.00 41.96 40.09 1upc s TYR 378 CO 0.11 0.51 0.78 1.05 -1.11 0.00 0.00 175.55 176.89 1upc h GLU 379 N 1.98 -0.50 0.00 -0.62 9.09 -2.01 -3.41 114.58 119.11 1upc h GLU 379 Ca -0.49 0.03 0.00 0.00 0.05 0.00 0.00 59.36 58.96 1upc h GLU 379 Cb 1.21 0.11 0.00 0.00 -1.65 0.00 0.00 28.75 28.43 1upc h GLU 379 CO 0.63 -0.33 0.00 -0.40 0.05 0.00 0.00 179.01 178.96 1upc n ASP 380 N -4.20 0.00 -0.83 3.06 5.68 -1.26 -5.03 116.55 113.97 1upc n ASP 380 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.23 1upc n ASP 380 Cb 0.20 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 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 3.80 3.74 6.12 0.00 -1.26 -5.03 105.19 112.56 1upc n GLY 381 Ca 0.00 -2.09 -0.29 0.00 0.00 0.00 0.00 46.02 43.64 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 0.43 0.84 0.06 1.61 -1.94 -0.71 -4.29 119.30 115.30 1upc s MET 382 Ca 0.00 0.37 0.03 0.00 -1.71 0.00 0.00 55.69 54.38 1upc s MET 382 Cb 0.00 -1.80 -0.04 0.00 2.01 0.00 0.00 34.83 35.00 1upc s MET 382 CO 0.00 -2.42 0.05 1.03 -0.01 0.00 0.00 175.02 173.68 1upc s ARG 383 N -5.16 2.83 0.41 2.03 1.81 -1.26 -2.69 118.95 116.92 1upc s ARG 383 Ca 0.64 -0.68 0.12 0.00 -1.72 0.00 0.00 55.73 54.09 1upc s ARG 383 Cb -0.16 -2.70 0.88 0.00 -0.45 0.00 0.00 34.95 32.52 1upc s ARG 383 CO 0.55 0.58 1.95 0.28 -0.68 0.00 0.00 175.30 177.98 1upc h VAL 384 N 2.86 1.15 -0.60 3.52 2.07 -1.98 -1.67 116.25 121.60 1upc h VAL 384 Ca -0.48 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 1upc h VAL 384 Cb 1.17 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1upc h VAL 384 CO 0.63 0.21 0.23 1.12 0.02 0.00 0.00 177.57 179.78 1upc h HIS 385 N 0.14 0.93 -0.25 1.57 2.07 -1.95 0.11 115.15 117.77 1upc h HIS 385 Ca 0.03 -0.08 -0.06 0.00 -2.85 0.00 0.00 60.37 57.42 1upc h HIS 385 Cb 0.34 -0.28 -0.01 0.00 2.57 0.00 0.00 27.41 30.03 1upc h HIS 385 CO 0.00 0.75 -0.09 1.96 -3.07 0.00 0.00 177.93 177.49 1upc h GLN 386 N 0.84 0.40 -0.39 5.12 4.20 -1.59 -0.58 115.11 123.11 1upc h GLN 386 Ca 0.20 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 1upc h GLN 386 Cb 0.23 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1upc h GLN 386 CO -0.01 0.50 0.01 0.28 -0.67 0.00 0.00 178.83 178.93 1upc h VAL 387 N 0.38 1.26 -0.11 -0.54 2.07 -0.72 -2.85 116.25 115.74 1upc h VAL 387 Ca 0.08 -0.99 -0.20 0.00 0.82 0.00 0.00 66.70 66.41 1upc h VAL 387 Cb 0.39 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1upc h VAL 387 CO 0.02 0.33 -0.75 0.40 0.02 0.00 0.00 177.57 177.59 1upc h ILE 388 N 0.50 1.34 -0.54 4.57 2.04 -0.55 -2.64 117.51 122.23 1upc h ILE 388 Ca 0.11 -2.07 0.06 0.00 1.00 0.00 0.00 64.86 63.96 1upc h ILE 388 Cb 0.46 2.06 -0.05 0.00 -0.74 0.00 0.00 36.82 38.55 1upc h ILE 388 CO 0.02 0.64 0.24 -0.78 0.00 0.00 0.00 178.15 178.27 1upc h ASP 389 N 0.38 0.31 -0.54 1.72 3.58 -1.16 0.67 116.42 121.40 1upc h ASP 389 Ca -0.04 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1upc h ASP 389 Cb 1.35 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.37 1upc h ASP 389 CO 0.14 0.21 0.36 0.28 -2.88 0.00 0.00 179.24 177.34 1upc h SER 390 N 0.46 0.62 -0.61 2.28 0.02 -1.39 -1.85 113.55 113.08 1upc h SER 390 Ca 0.25 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1upc h SER 390 Cb 0.22 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1upc h SER 390 CO -0.21 0.45 0.32 0.24 -1.14 0.00 0.00 176.83 176.49 1upc h MET 391 N 0.73 0.86 -0.61 3.45 2.86 -1.01 -2.33 114.93 118.88 1upc h MET 391 Ca 0.20 -0.11 0.09 0.00 -2.06 0.00 0.00 59.70 57.81 1upc h MET 391 Cb -0.08 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 31.35 1upc h MET 391 CO -0.04 0.67 0.25 -0.91 1.06 0.00 0.00 176.91 177.94 1upc h ASN 392 N 0.83 0.28 -0.06 1.22 2.35 -0.63 -0.68 115.58 118.90 1upc h ASN 392 Ca 0.21 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1upc h ASN 392 Cb 0.07 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 1upc h ASN 392 CO -0.03 0.17 0.03 0.74 -1.65 0.00 0.00 177.43 176.70 1upc h THR 393 N 0.45 1.05 0.00 2.81 2.02 -0.87 -1.50 112.91 116.88 1upc h THR 393 Ca 0.30 -0.13 -0.09 0.00 0.77 0.00 0.00 66.41 67.26 1upc h THR 393 Cb 0.34 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1upc h THR 393 CO -0.28 0.04 -0.43 0.58 0.37 0.00 0.00 175.52 175.80 1upc h VAL 394 N 0.04 0.93 -0.07 3.16 2.07 -1.30 -2.34 116.25 118.73 1upc h VAL 394 Ca 0.02 -1.75 -0.03 0.00 0.82 0.00 0.00 66.70 65.76 1upc h VAL 394 Cb 0.04 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1upc h VAL 394 CO -0.00 0.42 -0.08 -0.03 0.02 0.00 0.00 177.57 177.90 1upc h MET 395 N 0.00 0.18 -0.74 1.57 -1.53 -0.97 -0.86 114.93 112.58 1upc h MET 395 Ca -0.00 -0.10 0.10 0.00 -3.44 0.00 0.00 59.70 56.25 1upc h MET 395 Cb 1.04 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 32.04 1upc h MET 395 CO 0.06 0.63 0.49 1.49 0.14 0.00 0.00 176.91 179.71 1upc h GLU 396 N -0.26 0.62 -0.16 0.39 4.81 -1.24 -1.14 114.58 117.60 1upc h GLU 396 Ca 0.01 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1upc h GLU 396 Cb 0.60 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 1upc h GLU 396 CO 0.02 0.41 -0.19 0.93 -0.73 0.00 0.00 179.01 179.45 1upc h GLU 397 N 0.64 0.40 0.00 1.92 5.08 -1.27 -3.36 114.58 117.99 1upc h GLU 397 Ca 0.34 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1upc h GLU 397 Cb 0.47 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1upc h GLU 397 CO -0.12 0.79 -0.64 0.00 -1.00 0.00 0.00 179.01 178.04 1upc h ALA 398 N 0.60 0.72 -3.01 3.43 0.00 -0.93 -3.46 119.26 116.61 1upc h ALA 398 Ca 0.02 -0.22 -0.65 0.00 0.00 0.00 0.00 54.91 54.06 1upc h ALA 398 Cb 0.74 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.46 1upc h ALA 398 CO 0.04 0.26 -0.55 0.00 0.00 0.00 0.00 179.25 179.00 1upc s ALA 399 N -3.17 3.67 0.84 0.00 0.00 -0.45 -4.80 121.76 117.84 1upc s ALA 399 Ca 0.02 -0.82 -0.12 0.00 0.00 0.00 0.00 51.96 51.05 1upc s ALA 399 Cb 0.08 -1.67 0.10 0.00 0.00 0.00 0.00 23.12 21.62 1upc s ALA 399 CO 0.75 0.69 1.16 -1.21 0.00 0.00 0.00 175.76 177.14 1upc s GLU 400 N -1.64 1.54 0.41 0.00 0.41 -1.26 -4.83 118.70 113.32 1upc s GLU 400 Ca 0.22 1.56 -0.27 0.00 -0.41 0.00 0.00 54.97 56.07 1upc s GLU 400 Cb -0.12 -1.78 -0.10 0.00 -1.78 0.00 0.00 34.13 30.35 1upc s GLU 400 CO 0.13 -2.25 1.45 -1.25 -0.49 0.00 0.00 175.26 172.85 1upc s PRO 401 N -4.47 3.90 -0.42 0.39 0.04 -1.26 -2.48 135.00 130.69 1upc s PRO 401 Ca 0.68 2.48 0.00 0.00 0.04 0.00 0.00 61.00 64.20 1upc s PRO 401 Cb -0.24 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.49 1upc s PRO 401 CO 0.54 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 177.32 1upc n GLY 402 N 0.53 0.67 3.39 0.56 0.00 -1.26 -5.00 105.19 104.07 1upc n GLY 402 Ca 0.03 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.76 1.76 0.00 1.61 2.02 -1.04 -4.51 118.70 116.79 1upc s GLU 403 Ca 0.00 -2.04 0.00 0.00 0.02 0.00 0.00 54.97 52.95 1upc s GLU 403 Cb 0.00 -0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.05 1upc s GLU 403 CO 0.00 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.17 1upc n GLY 404 N -0.72 -0.58 2.79 -1.39 0.00 -1.26 -4.69 105.19 99.34 1upc n GLY 404 Ca 0.00 -1.50 -0.20 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.11 0.27 -0.24 2.61 2.01 -0.79 -4.59 115.64 111.81 1upc s THR 405 Ca 0.00 0.12 -0.08 0.00 0.31 0.00 0.00 61.69 62.03 1upc s THR 405 Cb 0.00 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 1upc s THR 405 CO 0.00 0.21 0.10 -0.63 -0.69 0.00 0.00 174.62 173.61 1upc s ILE 406 N 1.54 4.71 -0.10 1.82 1.01 0.42 -1.21 121.20 129.40 1upc s ILE 406 Ca -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.55 1upc s ILE 406 Cb -0.13 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 1upc s ILE 406 CO -0.03 0.35 0.04 -0.69 0.00 0.00 0.00 174.94 174.61 1upc s VAL 407 N 1.32 4.63 -0.08 2.92 1.01 0.86 -1.34 120.40 129.73 1upc s VAL 407 Ca 0.06 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.94 1upc s VAL 407 Cb -0.15 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.27 1upc s VAL 407 CO 0.05 0.60 -0.17 -0.55 0.00 0.00 0.00 175.10 175.03 1upc s SER 408 N -0.85 2.30 0.91 3.32 0.15 0.11 -0.72 113.70 118.92 1upc s SER 408 Ca 0.13 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1upc s SER 408 Cb -0.12 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 1upc s SER 408 CO 0.03 0.07 0.00 -0.67 1.20 0.00 0.00 173.24 173.87 1upc n ASP 409 N 3.77 -1.00 -4.58 5.45 -0.08 -0.75 -4.36 116.55 114.99 1upc n ASP 409 Ca -0.21 -0.41 -0.32 0.00 -1.51 0.00 0.00 54.79 52.35 1upc n ASP 409 Cb 0.52 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.88 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 -0.91 3.55 -5.00 5.18 -1.09 -1.26 -4.64 121.20 117.03 1upc s ILE 410 Ca 0.00 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.55 1upc s ILE 410 Cb 0.00 -2.56 0.00 0.00 -1.58 0.00 0.00 42.46 38.32 1upc s ILE 410 CO 0.00 0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.67 1upc n GLY 411 N 1.44 -0.66 0.20 6.18 0.00 -1.26 -4.61 105.19 106.48 1upc n GLY 411 Ca -0.15 -1.58 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 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 0.64 -0.50 1.61 3.57 -1.93 -2.21 116.94 118.13 1upc h PHE 412 Ca 0.00 -0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.61 1upc h PHE 412 Cb 0.00 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 1upc h PHE 412 CO 0.00 0.54 0.44 0.27 -2.23 0.00 0.00 178.31 177.33 1upc h PHE 413 N 0.56 0.00 -0.41 0.41 -0.00 -1.97 -2.45 116.94 113.08 1upc h PHE 413 Ca 0.15 0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 58.04 1upc h PHE 413 Cb 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.09 1upc h PHE 413 CO -0.00 0.00 -0.07 -0.09 -0.00 0.00 0.00 178.31 178.14 1upc h ARG 414 N 0.00 0.71 0.00 6.09 1.12 -1.66 -1.52 114.38 119.13 1upc h ARG 414 Ca 0.24 -0.21 -0.06 0.00 -1.11 0.00 0.00 59.98 58.83 1upc h ARG 414 Cb 1.11 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.99 1upc h ARG 414 CO -0.00 0.78 -0.30 0.45 -3.11 0.00 0.00 179.97 177.78 1upc h HIS 415 N 0.66 0.00 -0.81 2.20 3.86 -1.56 -1.02 115.15 118.48 1upc h HIS 415 Ca 0.12 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 1upc h HIS 415 Cb 0.52 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.95 1upc h HIS 415 CO 0.02 0.30 0.41 1.88 0.86 0.00 0.00 177.93 181.41 1upc h TYR 416 N 0.00 1.15 -0.57 2.45 -1.99 -1.47 -2.46 116.97 114.07 1upc h TYR 416 Ca -0.00 -0.05 0.09 0.00 2.00 0.00 0.00 58.73 60.77 1upc h TYR 416 Cb 0.93 -0.36 -0.07 0.00 2.00 0.00 0.00 36.73 39.23 1upc h TYR 416 CO 0.00 0.83 0.20 0.78 -0.00 0.00 0.00 178.16 179.97 1upc h GLY 417 N 1.14 0.79 1.21 3.88 0.00 -0.23 -0.59 103.07 109.28 1upc h GLY 417 Ca 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1upc h GLY 417 CO -0.04 -0.02 0.45 -2.08 0.00 0.00 0.00 176.54 174.86 1upc h VAL 418 N 0.38 1.22 0.18 4.60 2.07 -0.82 -1.63 116.25 122.23 1upc h VAL 418 Ca 0.29 -0.49 -0.32 0.00 0.82 0.00 0.00 66.70 67.00 1upc h VAL 418 Cb 0.35 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1upc h VAL 418 CO -0.30 0.23 -1.49 -0.07 0.02 0.00 0.00 177.57 175.96 1upc h LEU 419 N 1.06 0.59 0.00 2.57 3.38 -1.03 -3.42 115.31 118.46 1upc h LEU 419 Ca 0.28 -0.71 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 1upc h LEU 419 Cb -0.03 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1upc h LEU 419 CO -0.05 1.58 -1.44 0.49 0.09 0.00 0.00 178.44 179.11 1upc n PHE 420 N -3.58 0.00 -2.59 1.13 3.72 -0.26 -4.91 117.46 110.96 1upc n PHE 420 Ca -0.16 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.85 1upc n PHE 420 Cb 1.07 -0.23 -0.05 0.00 -0.94 0.00 0.00 39.48 39.32 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 -2.59 3.26 0.16 4.37 0.00 -0.62 -4.87 121.76 121.47 1upc s ALA 421 Ca -0.03 0.73 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 1upc s ALA 421 Cb 0.05 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 1upc s ALA 421 CO 0.38 -0.06 0.99 0.50 0.00 0.00 0.00 175.76 177.57 1upc s ARG 422 N -1.84 4.71 -0.17 0.00 3.52 -1.26 -4.98 118.95 118.92 1upc s ARG 422 Ca 0.49 1.52 -0.04 0.00 -0.13 0.00 0.00 55.73 57.57 1upc s ARG 422 Cb -0.26 -3.33 0.07 0.00 -1.56 0.00 0.00 34.95 29.88 1upc s ARG 422 CO 0.32 0.25 0.15 0.00 -0.81 0.00 0.00 175.30 175.21 1upc s ALA 423 N -0.32 0.07 -2.12 6.12 0.00 -1.26 -4.59 121.76 119.66 1upc s ALA 423 Ca 0.46 0.02 0.18 0.00 0.00 0.00 0.00 51.96 52.62 1upc s ALA 423 Cb -0.25 -1.13 0.21 0.00 0.00 0.00 0.00 23.12 21.95 1upc s ALA 423 CO 0.32 -1.12 1.14 -3.47 0.00 0.00 0.00 175.76 172.62 1upc n ASP 424 N 5.30 2.70 -4.04 0.00 2.03 -1.26 -4.05 116.55 117.23 1upc n ASP 424 Ca -0.06 -1.80 -0.10 0.00 0.52 0.00 0.00 54.79 53.35 1upc n ASP 424 Cb 0.49 -0.07 -0.08 0.00 -0.72 0.00 0.00 41.12 40.74 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 -1.41 1.20 0.30 -0.67 -2.07 -1.26 -4.19 119.66 111.57 1upc s GLN 425 Ca 0.24 -1.30 -0.29 0.00 -1.82 0.00 0.00 55.36 52.19 1upc s GLN 425 Cb 0.16 0.36 -0.13 0.00 -1.09 0.00 0.00 33.01 32.30 1upc s GLN 425 CO 0.23 -0.43 1.22 -2.30 -1.32 0.00 0.00 175.29 172.69 1upc n PRO 426 N -0.24 1.84 -2.29 9.60 -0.02 -1.12 -1.19 135.00 141.58 1upc n PRO 426 Ca -0.04 0.65 -0.18 0.00 -2.02 0.00 0.00 63.50 61.90 1upc n PRO 426 Cb 0.63 -2.17 -0.02 0.00 -0.02 0.00 0.00 33.50 31.93 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 0.59 -0.98 0.15 6.00 3.72 -1.24 -4.85 117.46 120.85 1upc n PHE 427 Ca 0.08 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.51 1upc n PHE 427 Cb 0.34 -3.57 0.07 0.00 -0.94 0.00 0.00 39.48 35.38 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 -6.86 1.37 0.00 -1.32 -3.40 103.07 92.86 1upc h GLY 428 Ca -0.43 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.23 1upc h GLY 428 CO 0.52 0.00 -0.79 -0.12 0.00 0.00 0.00 176.54 176.16 1upc s PHE 429 N -3.04 2.99 -0.15 5.60 5.36 -1.26 -0.44 117.98 127.05 1upc s PHE 429 Ca 0.03 -1.63 -0.00 0.00 -0.96 0.00 0.00 56.93 54.38 1upc s PHE 429 Cb 0.08 -2.00 -0.01 0.00 -0.34 0.00 0.00 43.02 40.75 1upc s PHE 429 CO 0.74 -0.76 -0.13 -1.17 -1.46 0.00 0.00 175.22 172.44 1upc s LEU 430 N 1.30 2.64 0.29 6.12 2.96 -0.45 -4.52 118.68 127.03 1upc s LEU 430 Ca 0.01 -0.39 -0.13 0.00 -0.22 0.00 0.00 54.13 53.40 1upc s LEU 430 Cb -0.16 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 44.94 1upc s LEU 430 CO -0.07 0.12 0.56 0.28 -1.32 0.00 0.00 176.35 175.92 1upc s THR 431 N 0.62 0.00 -0.50 3.68 -1.32 -1.26 0.10 115.64 116.96 1upc s THR 431 Ca -0.07 -1.31 -0.21 0.00 -1.21 0.00 0.00 61.69 58.88 1upc s THR 431 Cb -0.16 -2.33 0.04 0.00 -1.51 0.00 0.00 72.50 68.55 1upc s THR 431 CO 0.03 0.00 0.74 -0.55 -2.21 0.00 0.00 174.62 172.63 1upc s SER 432 N -3.04 6.30 0.06 8.08 0.15 -1.26 -4.92 113.70 119.06 1upc s SER 432 Ca 0.21 -0.53 0.13 0.00 0.70 0.00 0.00 55.95 56.46 1upc s SER 432 Cb -0.02 -2.35 -0.16 0.00 -1.71 0.00 0.00 66.02 61.78 1upc s SER 432 CO 0.11 -0.97 0.91 0.00 1.20 0.00 0.00 173.24 174.48 1upc h ALA 433 N 9.07 0.65 0.04 5.45 0.00 -1.91 -3.25 119.26 129.30 1upc h ALA 433 Ca -0.26 -1.04 -0.32 0.00 0.00 0.00 0.00 54.91 53.29 1upc h ALA 433 Cb 1.09 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 1upc h ALA 433 CO 0.99 1.19 -1.76 0.41 0.00 0.00 0.00 179.25 180.08 1upc n GLY 434 N 1.43 -0.67 0.16 0.00 0.00 -1.24 -4.52 105.19 100.35 1upc n GLY 434 Ca -0.09 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.60 -3.11 -4.72 0.00 7.64 -1.23 -4.96 113.62 103.65 1upc n SER 436 Ca -0.46 -0.68 -0.42 0.00 1.01 0.00 0.00 58.87 58.33 1upc n SER 436 Cb 0.91 -4.67 -0.03 0.00 -1.01 0.00 0.00 64.21 59.42 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 -4.00 7.13 0.84 6.43 0.15 -1.26 -4.93 113.70 118.05 1upc s SER 437 Ca 0.21 2.07 -0.11 0.00 0.70 0.00 0.00 55.95 58.82 1upc s SER 437 Cb -0.10 -2.59 0.10 0.00 -1.71 0.00 0.00 66.02 61.72 1upc s SER 437 CO 0.76 -0.39 1.09 0.72 1.20 0.00 0.00 173.24 176.63 1upc s PHE 438 N 0.55 2.38 0.00 3.44 -0.71 -1.26 -3.03 117.98 119.36 1upc s PHE 438 Ca 0.55 1.45 0.00 0.00 -1.04 0.00 0.00 56.93 57.90 1upc s PHE 438 Cb -0.30 -3.11 0.00 0.00 -1.21 0.00 0.00 43.02 38.40 1upc s PHE 438 CO 0.32 -2.14 0.00 0.41 -1.34 0.00 0.00 175.22 172.47 1upc n GLY 439 N -1.03 0.90 0.28 1.99 0.00 -0.82 -4.90 105.19 101.62 1upc n GLY 439 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 0.44 0.34 1.61 3.20 -1.83 -3.36 116.97 117.38 1upc h TYR 440 Ca 0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1upc h TYR 440 Cb 0.00 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 1upc h TYR 440 CO 0.00 0.36 -0.25 0.78 -1.64 0.00 0.00 178.16 177.42 1upc h GLY 441 N 0.61 -0.61 0.52 1.82 0.00 -1.88 -1.22 103.07 102.31 1upc h GLY 441 Ca 0.11 0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.73 1upc h GLY 441 CO -0.01 -0.24 -0.31 -2.22 0.00 0.00 0.00 176.54 173.76 1upc h ILE 442 N -0.59 0.33 -0.36 2.60 2.04 -1.92 -0.68 117.51 118.93 1upc h ILE 442 Ca -0.03 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 1upc h ILE 442 Cb 0.50 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1upc h ILE 442 CO 0.01 0.00 -0.03 1.55 0.00 0.00 0.00 178.15 179.68 1upc h PRO 443 N -0.58 0.58 -0.03 2.37 0.13 -1.75 -1.25 132.00 131.46 1upc h PRO 443 Ca 0.01 -0.14 -0.04 0.00 -0.87 0.00 0.00 66.00 64.96 1upc h PRO 443 Cb 0.58 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 1upc h PRO 443 CO -0.14 0.62 -0.17 0.00 -0.23 0.00 0.00 178.00 178.08 1upc h ALA 444 N 1.43 1.66 0.12 -0.56 0.00 -0.76 -1.12 119.26 120.03 1upc h ALA 444 Ca 0.11 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 1upc h ALA 444 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1upc h ALA 444 CO 0.02 0.25 -1.27 0.00 0.00 0.00 0.00 179.25 178.25 1upc h ALA 445 N 1.78 0.12 -0.02 0.00 0.00 -0.62 0.05 119.26 120.58 1upc h ALA 445 Ca 0.01 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1upc h ALA 445 Cb 0.33 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1upc h ALA 445 CO 0.02 1.00 0.01 0.82 0.00 0.00 0.00 179.25 181.10 1upc h ILE 446 N 0.07 1.01 -0.70 0.00 2.04 -1.04 0.14 117.51 119.03 1upc h ILE 446 Ca -0.14 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 1upc h ILE 446 Cb 1.97 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 39.01 1upc h ILE 446 CO 0.20 0.01 0.26 1.23 0.00 0.00 0.00 178.15 179.85 1upc h GLY 447 N 0.02 1.11 0.77 5.37 0.00 -1.17 -1.63 103.07 107.54 1upc h GLY 447 Ca 0.01 -0.60 -0.10 0.00 0.00 0.00 0.00 47.33 46.64 1upc h GLY 447 CO -0.00 0.56 -0.31 0.00 0.00 0.00 0.00 176.54 176.80 1upc h ALA 448 N 1.28 0.20 -0.85 3.60 0.00 -0.87 -2.14 119.26 120.47 1upc h ALA 448 Ca 0.23 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1upc h ALA 448 Cb 0.21 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1upc h ALA 448 CO -0.02 0.23 0.49 0.37 0.00 0.00 0.00 179.25 180.32 1upc h GLN 449 N -0.00 1.16 -0.07 0.00 5.75 -0.91 -2.12 115.11 118.92 1upc h GLN 449 Ca -0.00 -0.12 -0.14 0.00 -0.15 0.00 0.00 58.65 58.24 1upc h GLN 449 Cb 0.92 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 29.22 1upc h GLN 449 CO 0.07 0.83 -0.56 0.52 -2.65 0.00 0.00 178.83 177.03 1upc h MET 450 N 1.18 0.21 0.00 1.69 2.86 -1.26 -2.85 114.93 116.76 1upc h MET 450 Ca 0.30 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1upc h MET 450 Cb -0.01 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 1upc h MET 450 CO -0.05 0.72 -0.02 0.00 1.06 0.00 0.00 176.91 178.61 1upc h ALA 451 N 1.25 0.99 -2.08 6.32 0.00 -1.09 -3.35 119.26 121.31 1upc h ALA 451 Ca -0.00 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.31 1upc h ALA 451 Cb 1.04 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.43 1upc h ALA 451 CO 0.09 0.03 -0.92 0.54 0.00 0.00 0.00 179.25 178.98 1upc n ARG 452 N -3.11 1.36 0.27 0.00 1.74 -0.82 -4.95 116.66 111.14 1upc n ARG 452 Ca 0.03 -3.74 0.12 0.00 -0.77 0.00 0.00 57.85 53.49 1upc n ARG 452 Cb 0.45 -1.59 0.78 0.00 -1.02 0.00 0.00 32.46 31.08 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 4.08 0.00 -0.02 5.56 0.13 -1.65 -2.64 132.00 137.47 1upc h PRO 453 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1upc h PRO 453 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1upc h PRO 453 CO 0.59 0.00 -0.08 -0.25 -0.23 0.00 0.00 178.00 178.03 1upc n ASP 454 N -4.18 2.48 -4.89 1.44 8.00 -1.26 -4.97 116.55 113.16 1upc n ASP 454 Ca -0.03 -1.74 -0.32 0.00 0.71 0.00 0.00 54.79 53.42 1upc n ASP 454 Cb 0.11 0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.26 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 -1.77 3.66 0.58 -1.24 -0.21 -0.99 -5.03 119.66 114.67 1upc s GLN 455 Ca 0.22 -0.00 -0.19 0.00 0.02 0.00 0.00 55.36 55.40 1upc s GLN 455 Cb 0.16 -2.80 -0.04 0.00 1.00 0.00 0.00 33.01 31.34 1upc s GLN 455 CO 0.30 0.43 1.21 -2.14 -2.12 0.00 0.00 175.29 172.96 1upc s PRO 456 N -2.71 3.03 -0.22 2.91 0.02 -1.26 -4.94 135.00 131.82 1upc s PRO 456 Ca 0.43 1.83 -0.04 0.00 0.02 0.00 0.00 61.00 63.23 1upc s PRO 456 Cb -0.12 -1.96 0.09 0.00 0.02 0.00 0.00 34.50 32.54 1upc s PRO 456 CO 0.24 -1.16 0.19 0.99 -0.33 0.00 0.00 177.00 176.93 1upc s THR 457 N -1.59 -0.26 0.02 0.99 2.01 -1.26 -1.88 115.64 113.68 1upc s THR 457 Ca 0.77 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.51 1upc s THR 457 Cb -0.30 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 1upc s THR 457 CO 0.33 -0.33 0.07 -0.36 -0.69 0.00 0.00 174.62 173.64 1upc s PHE 458 N 2.26 3.21 -0.06 4.92 0.08 -0.35 -1.70 117.98 126.36 1upc s PHE 458 Ca 0.07 0.14 0.05 0.00 0.12 0.00 0.00 56.93 57.30 1upc s PHE 458 Cb -0.16 -1.69 -0.00 0.00 -0.57 0.00 0.00 43.02 40.61 1upc s PHE 458 CO -0.18 0.52 -0.20 -1.17 -0.10 0.00 0.00 175.22 174.10 1upc s LEU 459 N -1.92 1.96 -0.10 -0.37 2.96 0.13 -0.09 118.68 121.24 1upc s LEU 459 Ca 0.24 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 1upc s LEU 459 Cb -0.12 -1.13 -0.02 0.00 0.50 0.00 0.00 46.19 45.43 1upc s LEU 459 CO 0.16 0.17 -0.16 -0.51 -1.32 0.00 0.00 176.35 174.69 1upc s ILE 460 N 0.07 2.81 0.01 6.68 2.07 0.10 -0.38 121.20 132.56 1upc s ILE 460 Ca -0.06 -0.77 -0.09 0.00 -1.41 0.00 0.00 60.65 58.31 1upc s ILE 460 Cb -0.13 -2.13 0.01 0.00 0.13 0.00 0.00 42.46 40.33 1upc s ILE 460 CO 0.04 0.55 0.19 0.00 -1.91 0.00 0.00 174.94 173.80 1upc s ALA 461 N 0.01 -0.43 0.80 1.50 0.00 -0.74 -1.82 121.76 121.09 1upc s ALA 461 Ca -0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.73 1upc s ALA 461 Cb -0.15 0.14 0.10 0.00 0.00 0.00 0.00 23.12 23.21 1upc s ALA 461 CO 0.04 -0.25 1.15 0.20 0.00 0.00 0.00 175.76 176.91 1upc s GLY 462 N -1.52 1.65 0.13 0.00 0.00 -1.26 -0.90 107.32 105.42 1upc s GLY 462 Ca -0.13 -0.85 -0.10 0.00 0.00 0.00 0.00 44.72 43.64 1upc s GLY 462 CO 0.01 -0.33 1.38 1.29 0.00 0.00 0.00 173.10 175.45 1upc h ASP 463 N -1.01 0.89 0.40 1.64 2.03 -1.83 -0.54 116.42 118.00 1upc h ASP 463 Ca -0.45 -0.53 -0.01 0.00 -0.73 0.00 0.00 57.03 55.31 1upc h ASP 463 Cb 1.31 -0.26 -0.02 0.00 -0.83 0.00 0.00 39.33 39.53 1upc h ASP 463 CO 0.59 1.31 -0.38 1.23 -1.03 0.00 0.00 179.24 180.96 1upc h GLY 464 N 0.73 -1.13 1.21 7.15 0.00 -1.90 -1.99 103.07 107.14 1upc h GLY 464 Ca -0.02 0.51 -0.10 0.00 0.00 0.00 0.00 47.33 47.72 1upc h GLY 464 CO 0.14 -0.35 -0.10 -1.33 0.00 0.00 0.00 176.54 174.89 1upc h GLY 465 N -0.78 1.00 0.90 4.60 0.00 -1.81 -2.33 103.07 104.65 1upc h GLY 465 Ca -0.05 -0.78 -0.06 0.00 0.00 0.00 0.00 47.33 46.44 1upc h GLY 465 CO -0.04 0.72 -0.04 -2.75 0.00 0.00 0.00 176.54 174.43 1upc h PHE 466 N 0.83 0.65 0.00 5.60 3.57 -1.14 -2.09 116.94 124.35 1upc h PHE 466 Ca 0.13 -0.13 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1upc h PHE 466 Cb 0.63 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1upc h PHE 466 CO 0.04 0.74 -0.26 1.25 -2.23 0.00 0.00 178.31 177.85 1upc h HIS 467 N 0.37 0.00 -0.46 0.41 2.76 -1.33 -1.19 115.15 115.71 1upc h HIS 467 Ca 0.08 0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.38 1upc h HIS 467 Cb 0.51 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 1upc h HIS 467 CO 0.04 0.26 0.33 0.66 -1.30 0.00 0.00 177.93 177.92 1upc h SER 468 N 0.00 0.03 -0.22 3.26 4.64 -1.04 -3.17 113.55 117.05 1upc h SER 468 Ca -0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.10 1upc h SER 468 Cb 0.66 -0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.37 1upc h SER 468 CO 0.03 0.02 -1.03 -3.20 -0.87 0.00 0.00 176.83 171.78 1upc n ASN 469 N -4.41 1.49 0.20 4.97 5.15 -1.07 -4.92 115.26 116.67 1upc n ASN 469 Ca 0.08 -2.22 0.14 0.00 -0.60 0.00 0.00 54.58 51.97 1upc n ASN 469 Cb 0.51 -0.39 0.39 0.00 -0.53 0.00 0.00 39.78 39.77 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 1.73 0.00 0.38 1.20 4.64 -1.20 -3.25 113.55 117.06 1upc h SER 470 Ca -0.15 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1upc h SER 470 Cb 1.57 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1upc h SER 470 CO 0.16 0.00 -0.01 0.28 -0.87 0.00 0.00 176.83 176.39 1upc h SER 471 N 0.00 0.00 -0.06 4.97 0.02 -1.86 -2.05 113.55 114.56 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 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1upc h SER 471 CO 0.00 0.01 0.00 0.47 -1.14 0.00 0.00 176.83 176.17 1upc n ASP 472 N -3.14 0.45 -0.30 3.07 8.00 -1.23 -2.73 116.55 120.68 1upc n ASP 472 Ca -0.02 -1.73 0.12 0.00 0.71 0.00 0.00 54.79 53.86 1upc n ASP 472 Cb 0.16 -0.04 0.35 0.00 -0.02 0.00 0.00 41.12 41.57 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 0.55 0.72 -1.61 0.64 3.38 -1.64 -2.06 115.31 115.28 1upc h LEU 473 Ca 0.00 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1upc h LEU 473 Cb 0.12 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1upc h LEU 473 CO 0.00 0.35 -0.21 -0.08 0.09 0.00 0.00 178.44 178.58 1upc h GLU 474 N 0.75 0.00 -0.16 1.13 4.22 -1.71 -1.56 114.58 117.25 1upc h GLU 474 Ca 0.48 0.00 -0.19 0.00 0.08 0.00 0.00 59.36 59.73 1upc h GLU 474 Cb 0.73 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.98 1upc h GLU 474 CO -0.24 0.21 -0.63 1.15 -2.18 0.00 0.00 179.01 177.32 1upc h THR 475 N 0.00 1.31 -0.67 0.32 2.02 -1.61 -1.43 112.91 112.84 1upc h THR 475 Ca -0.00 -1.86 0.06 0.00 0.77 0.00 0.00 66.41 65.38 1upc h THR 475 Cb 0.44 1.99 -0.06 0.00 -1.74 0.00 0.00 68.15 68.78 1upc h THR 475 CO 0.03 0.58 0.37 0.40 0.37 0.00 0.00 175.52 177.27 1upc h ILE 476 N 0.41 0.95 -0.33 3.11 2.04 -0.85 -1.07 117.51 121.76 1upc h ILE 476 Ca -0.03 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 1upc h ILE 476 Cb 1.26 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1upc h ILE 476 CO 0.13 0.12 -0.03 0.00 0.00 0.00 0.00 178.15 178.38 1upc h ALA 477 N 1.36 0.45 -0.33 1.87 0.00 -1.21 -0.86 119.26 120.53 1upc h ALA 477 Ca 0.31 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1upc h ALA 477 Cb 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1upc h ALA 477 CO -0.20 0.23 0.20 -0.09 0.00 0.00 0.00 179.25 179.40 1upc h ARG 478 N 0.40 0.45 0.00 0.00 2.43 -1.02 -1.90 114.38 114.74 1upc h ARG 478 Ca 0.09 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1upc h ARG 478 Cb 0.49 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1upc h ARG 478 CO 0.02 0.34 0.00 1.28 -1.51 0.00 0.00 179.97 180.10 1upc n LEU 479 N -4.82 0.00 -3.83 3.80 4.77 -0.43 -4.95 117.00 111.54 1upc n LEU 479 Ca -0.01 0.44 -0.23 0.00 -0.03 0.00 0.00 56.01 56.18 1upc n LEU 479 Cb 0.05 -0.44 0.01 0.00 -2.33 0.00 0.00 43.42 40.70 1upc n LEU 479 CO 0.35 -0.03 -0.15 -3.20 -1.33 0.00 0.00 177.39 173.02 1upc n ASN 480 N -1.44 -0.76 -4.68 -1.43 5.15 -0.37 -4.95 115.26 106.77 1upc n ASN 480 Ca 0.08 -0.92 -0.39 0.00 -0.60 0.00 0.00 54.58 52.75 1upc n ASN 480 Cb 0.29 -3.54 -0.06 0.00 -0.53 0.00 0.00 39.78 35.94 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 -6.82 4.19 -0.96 1.20 1.43 -0.95 -4.84 118.68 111.94 1upc s LEU 481 Ca 0.01 0.84 -0.07 0.00 -1.03 0.00 0.00 54.13 53.88 1upc s LEU 481 Cb -0.00 -2.84 -0.08 0.00 0.03 0.00 0.00 46.19 43.30 1upc s LEU 481 CO 0.85 -0.18 3.03 -0.81 0.23 0.00 0.00 176.35 179.48 1upc n PRO 482 N 4.54 3.22 -2.81 1.29 -0.04 -1.26 -3.23 135.00 136.71 1upc n PRO 482 Ca -0.03 -2.10 -0.40 0.00 -0.04 0.00 0.00 63.50 60.92 1upc n PRO 482 Cb 0.50 -2.46 -0.05 0.00 -0.04 0.00 0.00 33.50 31.46 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 0.68 4.44 -0.31 0.52 1.01 -1.26 -4.64 121.20 121.64 1upc s ILE 483 Ca 0.65 1.95 -0.11 0.00 0.00 0.00 0.00 60.65 63.14 1upc s ILE 483 Cb 0.25 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 1upc s ILE 483 CO -0.07 0.39 0.19 -0.69 0.00 0.00 0.00 174.94 174.76 1upc s VAL 484 N -0.37 5.06 -0.15 2.92 1.01 -0.69 -1.86 120.40 126.31 1upc s VAL 484 Ca 0.43 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 62.23 1upc s VAL 484 Cb -0.23 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1upc s VAL 484 CO 0.29 0.12 -0.00 -0.89 0.00 0.00 0.00 175.10 174.61 1upc s THR 485 N 1.70 4.22 -0.28 3.92 2.01 0.58 -0.69 115.64 127.10 1upc s THR 485 Ca 0.06 -0.24 -0.05 0.00 0.31 0.00 0.00 61.69 61.77 1upc s THR 485 Cb -0.17 -2.86 0.02 0.00 0.01 0.00 0.00 72.50 69.50 1upc s THR 485 CO 0.09 0.50 0.03 -0.69 -0.69 0.00 0.00 174.62 173.86 1upc s VAL 486 N 0.20 3.56 -0.29 3.82 1.01 0.49 0.15 120.40 129.34 1upc s VAL 486 Ca 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 60.98 1upc s VAL 486 Cb -0.13 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1upc s VAL 486 CO 0.02 0.10 0.39 -0.69 0.00 0.00 0.00 175.10 174.92 1upc s VAL 487 N 1.43 5.15 -0.46 2.92 1.01 -0.53 -1.79 120.40 128.13 1upc s VAL 487 Ca 0.01 0.45 -0.18 0.00 0.00 0.00 0.00 61.98 62.27 1upc s VAL 487 Cb -0.17 -3.76 0.04 0.00 0.00 0.00 0.00 36.38 32.49 1upc s VAL 487 CO 0.00 0.06 0.49 0.68 0.00 0.00 0.00 175.10 176.33 1upc s VAL 488 N 2.11 5.05 -0.29 2.92 -7.23 -0.08 -1.35 120.40 121.53 1upc s VAL 488 Ca 0.15 -0.53 -0.06 0.00 -1.81 0.00 0.00 61.98 59.73 1upc s VAL 488 Cb -0.16 -4.14 0.01 0.00 0.56 0.00 0.00 36.38 32.65 1upc s VAL 488 CO 0.11 -0.58 0.06 0.21 -0.31 0.00 0.00 175.10 174.59 1upc s ASN 489 N 2.24 5.01 -0.16 4.85 3.84 -0.82 -2.89 114.94 127.02 1upc s ASN 489 Ca 0.12 -0.71 0.14 0.00 0.21 0.00 0.00 52.86 52.61 1upc s ASN 489 Cb -0.19 -1.85 0.38 0.00 -0.55 0.00 0.00 41.25 39.04 1upc s ASN 489 CO 0.12 -0.18 1.19 -0.46 -2.79 0.00 0.00 177.10 174.98 1upc n ASN 490 N 4.84 1.66 -2.57 -4.21 6.94 -1.26 -1.82 115.26 118.84 1upc n ASN 490 Ca -0.15 -3.40 -0.12 0.00 -0.02 0.00 0.00 54.58 50.88 1upc n ASN 490 Cb 0.48 -0.46 -0.00 0.00 -2.36 0.00 0.00 39.78 37.43 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 -0.91 -3.60 -3.71 0.53 8.00 -1.26 -4.88 116.55 110.71 1upc n ASP 491 Ca 0.16 0.15 -0.14 0.00 0.71 0.00 0.00 54.79 55.67 1upc n ASP 491 Cb 0.74 -3.07 -0.09 0.00 -0.02 0.00 0.00 41.12 38.69 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 -2.60 0.02 -1.23 -3.53 2.01 -1.26 -1.10 115.64 107.95 1upc s THR 492 Ca 0.05 -0.13 -0.21 0.00 0.31 0.00 0.00 61.69 61.72 1upc s THR 492 Cb -0.03 -0.65 -0.01 0.00 0.01 0.00 0.00 72.50 71.82 1upc s THR 492 CO 0.06 -0.07 1.84 0.20 -0.69 0.00 0.00 174.62 175.96 1upc s ASN 493 N -0.32 5.87 0.15 3.53 0.01 -0.44 -4.38 114.94 119.35 1upc s ASN 493 Ca -0.05 -2.00 -0.12 0.00 -0.71 0.00 0.00 52.86 49.98 1upc s ASN 493 Cb -0.03 -2.58 0.03 0.00 0.41 0.00 0.00 41.25 39.08 1upc s ASN 493 CO 0.02 -2.19 1.64 1.23 -1.51 0.00 0.00 177.10 176.29 1upc h GLY 494 N 15.34 0.93 0.68 0.66 0.00 -1.94 -1.77 103.07 116.96 1upc h GLY 494 Ca 0.32 -0.62 0.13 0.00 0.00 0.00 0.00 47.33 47.16 1upc h GLY 494 CO 1.33 0.57 0.53 -2.00 0.00 0.00 0.00 176.54 176.98 1upc h LEU 495 N 0.75 0.57 0.01 3.11 6.46 -1.93 -1.24 115.31 123.05 1upc h LEU 495 Ca 0.16 0.03 -0.27 0.00 -0.12 0.00 0.00 57.88 57.68 1upc h LEU 495 Cb 0.40 -0.09 0.02 0.00 -0.73 0.00 0.00 40.66 40.26 1upc h LEU 495 CO 0.01 0.31 -1.12 0.40 -0.62 0.00 0.00 178.44 177.42 1upc h ILE 496 N 0.62 1.35 -0.44 4.05 1.08 -1.76 -2.27 117.51 120.14 1upc h ILE 496 Ca 0.40 -2.51 -0.01 0.00 -0.39 0.00 0.00 64.86 62.34 1upc h ILE 496 Cb 0.67 2.60 -0.02 0.00 -3.07 0.00 0.00 36.82 36.99 1upc h ILE 496 CO -0.16 0.76 0.24 -0.08 -0.69 0.00 0.00 178.15 178.22 1upc h GLU 497 N 0.25 0.61 -0.18 2.37 4.81 -0.98 0.25 114.58 121.70 1upc h GLU 497 Ca -0.14 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1upc h GLU 497 Cb 1.79 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 31.03 1upc h GLU 497 CO 0.21 0.45 0.11 1.25 -0.73 0.00 0.00 179.01 180.30 1upc h LEU 498 N 0.61 0.21 -1.11 1.64 6.46 -0.98 -1.49 115.31 120.66 1upc h LEU 498 Ca 0.16 -0.04 -0.08 0.00 -0.12 0.00 0.00 57.88 57.80 1upc h LEU 498 Cb 0.03 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 1upc h LEU 498 CO -0.03 0.19 -0.24 1.88 -0.62 0.00 0.00 178.44 179.63 1upc h TYR 499 N 0.21 0.37 -0.07 1.25 0.05 -0.86 0.56 116.97 118.48 1upc h TYR 499 Ca 0.06 -0.07 0.01 0.00 0.05 0.00 0.00 58.73 58.79 1upc h TYR 499 Cb 0.02 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 1upc h TYR 499 CO -0.05 0.55 -0.01 1.96 -1.05 0.00 0.00 178.16 179.57 1upc h GLN 500 N 0.30 0.02 -0.38 4.88 4.20 -0.77 -1.86 115.11 121.50 1upc h GLN 500 Ca 0.05 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1upc h GLN 500 Cb 0.59 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1upc h GLN 500 CO 0.04 0.01 -0.08 -0.91 -0.67 0.00 0.00 178.83 177.22 1upc h ASN 501 N 0.02 0.62 -0.47 1.46 2.35 -0.45 -0.80 115.58 118.30 1upc h ASN 501 Ca 0.03 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1upc h ASN 501 Cb 0.04 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1upc h ASN 501 CO -0.06 0.74 0.26 0.40 -1.65 0.00 0.00 177.43 177.12 1upc h ILE 502 N 0.59 1.17 0.17 2.81 2.04 -0.73 -0.07 117.51 123.49 1upc h ILE 502 Ca 0.11 -0.44 -0.30 0.00 1.00 0.00 0.00 64.86 65.24 1upc h ILE 502 Cb 0.49 0.60 0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1upc h ILE 502 CO 0.03 0.18 -1.32 1.23 0.00 0.00 0.00 178.15 178.27 1upc h GLY 503 N 0.62 0.42 0.00 5.37 0.00 -1.09 -3.40 103.07 105.00 1upc h GLY 503 Ca 0.17 -1.06 0.00 0.00 0.00 0.00 0.00 47.33 46.43 1upc h GLY 503 CO -0.03 0.93 0.00 1.42 0.00 0.00 0.00 176.54 178.87 1upc n HIS 504 N -3.60 0.00 -2.24 5.60 8.25 -0.33 -5.02 115.22 117.89 1upc n HIS 504 Ca -0.11 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.15 1upc n HIS 504 Cb 1.05 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.14 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 -0.85 -0.78 -3.60 4.41 -0.00 -0.04 -4.98 115.22 109.38 1upc n HIS 505 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 1upc n HIS 505 Cb 0.00 -3.73 -0.02 0.00 -0.00 0.00 0.00 29.99 26.24 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 -4.76 1.11 0.46 -0.41 1.70 -1.26 -4.98 118.95 110.81 1upc s ARG 506 Ca 0.00 -0.51 -0.04 0.00 -0.47 0.00 0.00 55.73 54.71 1upc s ARG 506 Cb 0.00 0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 34.79 1upc s ARG 506 CO 0.00 -0.50 0.74 -1.12 -1.08 0.00 0.00 175.30 173.34 1upc s SER 507 N -2.72 6.23 -0.24 -2.89 0.01 -1.26 -3.61 113.70 109.22 1upc s SER 507 Ca 0.07 0.80 -0.04 0.00 1.31 0.00 0.00 55.95 58.09 1upc s SER 507 Cb -0.02 -2.16 0.08 0.00 0.21 0.00 0.00 66.02 64.14 1upc s SER 507 CO -0.05 -0.55 0.12 -2.28 0.41 0.00 0.00 173.24 170.90 1upc s HIS 508 N -2.66 0.25 0.21 2.43 2.46 -1.26 -5.08 115.29 111.64 1upc s HIS 508 Ca 0.46 -0.63 -0.10 0.00 0.47 0.00 0.00 55.06 55.27 1upc s HIS 508 Cb -0.10 -0.80 0.16 0.00 -0.13 0.00 0.00 32.58 31.70 1upc s HIS 508 CO 0.43 -0.70 1.85 -0.44 -2.47 0.00 0.00 174.74 173.41 1upc h ASP 509 N 8.41 0.93 -0.25 9.88 3.32 -1.98 -2.76 116.42 133.97 1upc h ASP 509 Ca -0.18 -0.07 0.07 0.00 0.02 0.00 0.00 57.03 56.87 1upc h ASP 509 Cb 1.07 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 1upc h ASP 509 CO 0.38 0.73 0.27 -0.65 -1.72 0.00 0.00 179.24 178.24 1upc h PRO 510 N 1.05 0.00 0.00 3.56 0.11 -1.98 0.35 132.00 135.09 1upc h PRO 510 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 1upc h PRO 510 Cb -0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1upc h PRO 510 CO -0.05 0.00 -0.38 0.00 -0.21 0.00 0.00 178.00 177.36 1upc n ALA 511 N -2.35 2.97 0.00 -0.75 0.00 -1.04 -4.60 120.51 114.73 1upc n ALA 511 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1upc n ALA 511 Cb 0.41 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.76 0.00 -3.89 0.00 0.24 -0.13 -4.98 118.33 107.80 1upc n VAL 512 Ca 0.05 -0.04 -0.35 0.00 -2.04 0.00 0.00 64.34 61.96 1upc n VAL 512 Cb 0.38 0.89 -0.08 0.00 -1.47 0.00 0.00 33.84 33.56 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 -0.11 3.89 0.31 7.34 -0.14 0.10 -1.33 119.74 129.81 1upc s LYS 513 Ca 0.00 -0.25 0.07 0.00 -1.36 0.00 0.00 55.97 54.43 1upc s LYS 513 Cb 0.00 -3.27 -0.03 0.00 -1.68 0.00 0.00 37.83 32.86 1upc s LYS 513 CO 0.00 0.42 0.29 -0.06 -0.76 0.00 0.00 175.35 175.24 1upc s PHE 514 N -0.00 3.01 0.27 3.18 0.08 -0.26 -4.87 117.98 119.39 1upc s PHE 514 Ca 0.08 -0.23 -0.04 0.00 0.12 0.00 0.00 56.93 56.86 1upc s PHE 514 Cb -0.12 -1.71 0.06 0.00 -0.57 0.00 0.00 43.02 40.69 1upc s PHE 514 CO 0.00 0.26 0.37 0.41 -0.10 0.00 0.00 175.22 176.16 1upc n GLY 515 N -1.36 -0.98 3.73 4.36 0.00 -1.26 -4.83 105.19 104.84 1upc n GLY 515 Ca -0.03 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 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 -3.75 2.73 -0.12 -0.02 0.00 -1.26 -4.89 107.32 100.01 1upc s GLY 516 Ca 0.21 0.78 0.02 0.00 0.00 0.00 0.00 44.72 45.73 1upc s GLY 516 CO 0.15 1.76 -0.20 0.14 0.00 0.00 0.00 173.10 174.96 1upc s VAL 517 N 0.33 1.85 -0.83 1.40 1.01 -1.26 -5.09 120.40 117.81 1upc s VAL 517 Ca 0.52 -0.86 -0.21 0.00 0.00 0.00 0.00 61.98 61.43 1upc s VAL 517 Cb -0.28 -1.64 0.09 0.00 0.00 0.00 0.00 36.38 34.55 1upc s VAL 517 CO 0.32 0.51 1.11 -0.62 0.00 0.00 0.00 175.10 176.42 1upc s ASP 518 N 0.79 6.41 0.52 3.32 -1.08 -1.26 -4.88 116.67 120.49 1upc s ASP 518 Ca -0.09 -1.47 0.31 0.00 -0.52 0.00 0.00 52.55 50.78 1upc s ASP 518 Cb -0.16 -2.44 1.18 0.00 -1.46 0.00 0.00 42.92 40.04 1upc s ASP 518 CO 0.00 -1.31 1.92 -0.26 0.52 0.00 0.00 175.17 176.04 1upc h PHE 519 N 9.31 0.00 0.82 -5.34 0.04 -1.98 -1.50 116.94 118.29 1upc h PHE 519 Ca -0.03 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 1upc h PHE 519 Cb 1.04 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.20 1upc h PHE 519 CO 1.10 0.04 -0.39 0.28 -0.60 0.00 0.00 178.31 178.74 1upc h VAL 520 N 0.00 0.09 -0.70 -0.55 2.07 -1.91 -1.26 116.25 113.99 1upc h VAL 520 Ca -0.00 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1upc h VAL 520 Cb 0.61 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1upc h VAL 520 CO 0.00 0.01 0.46 0.00 0.02 0.00 0.00 177.57 178.06 1upc h ALA 521 N -1.15 1.55 -0.28 1.67 0.00 -1.92 -2.30 119.26 116.82 1upc h ALA 521 Ca -0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1upc h ALA 521 Cb 0.85 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1upc h ALA 521 CO 0.18 0.40 0.18 1.25 0.00 0.00 0.00 179.25 181.27 1upc h LEU 522 N 0.90 0.33 -0.59 0.00 5.85 -1.24 0.10 115.31 120.66 1upc h LEU 522 Ca 0.27 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1upc h LEU 522 Cb -0.03 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1upc h LEU 522 CO -0.07 0.25 0.27 0.00 -0.34 0.00 0.00 178.44 178.55 1upc h ALA 523 N 1.10 0.76 -0.04 1.25 0.00 -0.85 -2.87 119.26 118.61 1upc h ALA 523 Ca 0.10 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1upc h ALA 523 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1upc h ALA 523 CO -0.02 0.34 -0.43 0.93 0.00 0.00 0.00 179.25 180.07 1upc h GLU 524 N 0.81 0.08 0.00 0.00 5.08 -1.05 -0.70 114.58 118.80 1upc h GLU 524 Ca 0.20 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1upc h GLU 524 Cb 0.14 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1upc h GLU 524 CO -0.02 0.49 -0.18 0.00 -1.00 0.00 0.00 179.01 178.30 1upc h ALA 525 N 1.50 1.44 -0.01 3.43 0.00 -0.79 -2.50 119.26 122.33 1upc h ALA 525 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1upc h ALA 525 Cb 0.79 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1upc h ALA 525 CO 0.06 0.22 -0.03 0.09 0.00 0.00 0.00 179.25 179.59 1upc n ASN 526 N -3.95 1.44 0.00 0.00 3.02 -0.38 -4.94 115.26 110.45 1upc n ASN 526 Ca -0.02 -1.43 0.00 0.00 -0.03 0.00 0.00 54.58 53.10 1upc n ASN 526 Cb 0.27 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 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 1.19 0.67 3.41 7.41 0.00 -0.94 -4.36 105.19 112.57 1upc n GLY 527 Ca 0.18 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 3.65 0.47 1.61 1.01 -0.55 -4.88 120.40 119.72 1upc s VAL 528 Ca 0.00 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 1upc s VAL 528 Cb 0.00 -2.63 -0.07 0.00 0.00 0.00 0.00 36.38 33.68 1upc s VAL 528 CO 0.00 0.45 1.19 -1.81 0.00 0.00 0.00 175.10 174.94 1upc s ASP 529 N 0.91 6.02 0.26 3.32 1.01 -1.26 -2.38 116.67 124.56 1upc s ASP 529 Ca -0.00 2.38 -0.12 0.00 0.71 0.00 0.00 52.55 55.52 1upc s ASP 529 Cb -0.15 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.18 1upc s ASP 529 CO 0.01 -1.02 0.48 0.00 0.21 0.00 0.00 175.17 174.85 1upc s ALA 530 N -1.51 -0.12 0.01 5.23 0.00 -1.26 -1.91 121.76 122.20 1upc s ALA 530 Ca 0.65 -0.96 -0.28 0.00 0.00 0.00 0.00 51.96 51.37 1upc s ALA 530 Cb -0.30 1.07 0.08 0.00 0.00 0.00 0.00 23.12 23.97 1upc s ALA 530 CO 0.37 -0.85 0.73 -0.08 0.00 0.00 0.00 175.76 175.93 1upc s THR 531 N -3.85 0.00 -0.15 0.00 -1.32 -0.72 -4.97 115.64 104.63 1upc s THR 531 Ca 0.23 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.55 1upc s THR 531 Cb -0.01 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.94 1upc s THR 531 CO 0.10 0.00 0.39 -0.60 -2.21 0.00 0.00 174.62 172.30 1upc s ARG 532 N -2.32 4.28 -0.10 7.08 3.52 -1.26 -1.42 118.95 128.73 1upc s ARG 532 Ca -0.03 0.26 0.04 0.00 -0.13 0.00 0.00 55.73 55.87 1upc s ARG 532 Cb -0.01 -3.45 -0.00 0.00 -1.56 0.00 0.00 34.95 29.94 1upc s ARG 532 CO -0.02 0.16 -0.23 0.00 -0.81 0.00 0.00 175.30 174.41 1upc s ALA 533 N 0.65 2.21 -0.64 6.12 0.00 -0.21 -4.91 121.76 124.99 1upc s ALA 533 Ca 0.21 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.25 1upc s ALA 533 Cb -0.14 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.17 1upc s ALA 533 CO 0.07 0.30 0.60 0.25 0.00 0.00 0.00 175.76 176.98 1upc n THR 534 N 3.46 0.00 -4.00 0.00 -2.24 -1.26 -4.06 114.28 106.18 1upc n THR 534 Ca -0.19 -0.48 -0.12 0.00 -2.27 0.00 0.00 64.05 60.99 1upc n THR 534 Cb 0.53 1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 69.83 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 -0.65 0.51 0.36 3.42 2.20 -1.26 -4.31 114.94 115.21 1upc s ASN 535 Ca 0.06 -1.30 0.06 0.00 -0.94 0.00 0.00 52.86 50.74 1upc s ASN 535 Cb 0.05 0.71 0.74 0.00 -2.00 0.00 0.00 41.25 40.74 1upc s ASN 535 CO 0.10 -1.38 1.94 0.03 -2.94 0.00 0.00 177.10 174.84 1upc h ARG 536 N 2.10 0.75 -0.18 3.55 3.08 -1.97 -0.77 114.38 120.94 1upc h ARG 536 Ca -0.29 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.63 1upc h ARG 536 Cb 1.24 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 1upc h ARG 536 CO 0.38 0.49 -0.24 1.49 -1.07 0.00 0.00 179.97 181.03 1upc h GLU 537 N 0.77 0.47 -0.45 0.04 4.81 -1.99 -1.27 114.58 116.96 1upc h GLU 537 Ca 0.34 -0.27 -0.12 0.00 -0.13 0.00 0.00 59.36 59.18 1upc h GLU 537 Cb 0.34 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1upc h GLU 537 CO -0.12 0.86 -0.20 0.93 -0.73 0.00 0.00 179.01 179.75 1upc h GLU 538 N 0.12 0.89 0.11 1.92 5.08 -1.93 -2.43 114.58 118.34 1upc h GLU 538 Ca 0.02 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1upc h GLU 538 Cb 0.81 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1upc h GLU 538 CO 0.06 1.01 -0.05 1.25 -1.00 0.00 0.00 179.01 180.27 1upc h LEU 539 N 0.78 -0.12 -0.99 1.33 5.85 -1.08 0.13 115.31 121.21 1upc h LEU 539 Ca 0.11 -0.24 0.15 0.00 0.84 0.00 0.00 57.88 58.73 1upc h LEU 539 Cb 0.74 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.71 1upc h LEU 539 CO 0.06 0.18 0.60 -0.07 -0.34 0.00 0.00 178.44 178.88 1upc h LEU 540 N -0.43 0.84 -0.42 2.25 3.38 -1.28 0.45 115.31 120.10 1upc h LEU 540 Ca -0.01 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1upc h LEU 540 Cb 0.36 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1upc h LEU 540 CO 0.02 0.39 -0.15 0.00 0.09 0.00 0.00 178.44 178.79 1upc h ALA 541 N 1.58 0.58 -0.37 1.53 0.00 -1.25 -1.67 119.26 119.66 1upc h ALA 541 Ca 0.52 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1upc h ALA 541 Cb 0.64 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1upc h ALA 541 CO -0.32 0.50 -0.24 0.00 0.00 0.00 0.00 179.25 179.19 1upc h ALA 542 N 0.84 0.53 0.00 0.00 0.00 -0.21 -2.14 119.26 118.28 1upc h ALA 542 Ca 0.10 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1upc h ALA 542 Cb 0.70 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1upc h ALA 542 CO 0.05 0.52 -0.35 -0.07 0.00 0.00 0.00 179.25 179.40 1upc h LEU 543 N 0.62 0.00 0.10 0.00 3.38 -0.07 -0.71 115.31 118.63 1upc h LEU 543 Ca 0.07 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.79 1upc h LEU 543 Cb 0.81 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.58 1upc h LEU 543 CO 0.07 0.35 -1.07 0.03 0.09 0.00 0.00 178.44 177.90 1upc h ARG 544 N 0.00 0.56 -0.40 1.13 3.08 -1.18 -2.17 114.38 115.39 1upc h ARG 544 Ca -0.00 -0.73 0.01 0.00 0.07 0.00 0.00 59.98 59.33 1upc h ARG 544 Cb 0.66 0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 1upc h ARG 544 CO 0.05 1.32 0.25 -0.22 -1.07 0.00 0.00 179.97 180.29 1upc h LYS 545 N 0.13 0.49 -0.37 0.04 3.64 -1.27 -3.06 116.57 116.17 1upc h LYS 545 Ca -0.16 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1upc h LYS 545 Cb 1.77 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.46 1upc h LYS 545 CO 0.21 0.32 0.22 0.78 -2.27 0.00 0.00 179.45 178.71 1upc h GLY 546 N 0.50 0.55 2.00 5.01 0.00 -1.08 -2.38 103.07 107.66 1upc h GLY 546 Ca 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1upc h GLY 546 CO -0.06 0.23 0.00 0.00 0.00 0.00 0.00 176.54 176.71 1upc n ALA 547 N -2.23 1.64 0.36 3.60 0.00 -0.82 -2.80 120.51 120.25 1upc n ALA 547 Ca -0.00 0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.56 1upc n ALA 547 Cb 0.06 -1.37 0.04 0.00 0.00 0.00 0.00 19.45 18.17 1upc n ALA 547 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1upc n GLU 548 N -2.18 0.20 0.08 0.00 1.02 -0.99 -4.71 120.64 114.06 1upc n GLU 548 Ca 0.02 -1.02 -0.06 0.00 -0.02 0.00 0.00 57.16 56.08 1upc n GLU 548 Cb 0.22 -1.16 0.09 0.00 -0.02 0.00 0.00 31.44 30.56 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 1.68 0.31 0.52 -4.62 5.85 -1.27 -3.47 115.31 114.32 1upc h LEU 549 Ca 0.00 -0.19 -0.13 0.00 0.84 0.00 0.00 57.88 58.40 1upc h LEU 549 Cb 0.36 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1upc h LEU 549 CO 0.00 0.87 -0.14 0.61 -0.34 0.00 0.00 178.44 179.45 1upc n GLY 550 N 0.37 0.62 3.39 3.75 0.00 -1.26 -5.01 105.19 107.04 1upc n GLY 550 Ca -0.03 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.16 0.99 0.74 1.61 0.52 -1.26 -4.84 118.95 113.55 1upc s ARG 551 Ca 0.00 -0.17 -0.14 0.00 -0.52 0.00 0.00 55.73 54.90 1upc s ARG 551 Cb 0.00 0.45 0.05 0.00 0.52 0.00 0.00 34.95 35.97 1upc s ARG 551 CO 0.00 -0.34 1.16 -1.25 0.02 0.00 0.00 175.30 174.89 1upc s PRO 552 N -2.15 2.14 -0.07 3.54 0.04 -1.20 -4.56 135.00 132.75 1upc s PRO 552 Ca -0.07 1.58 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 1upc s PRO 552 Cb -0.01 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.70 1upc s PRO 552 CO 0.01 -1.79 0.30 0.12 0.04 0.00 0.00 177.00 175.68 1upc s PHE 553 N -2.26 -0.25 -0.01 0.56 5.36 -0.78 -4.22 117.98 116.38 1upc s PHE 553 Ca 0.70 0.54 0.06 0.00 -0.96 0.00 0.00 56.93 57.27 1upc s PHE 553 Cb -0.25 0.10 -0.01 0.00 -0.34 0.00 0.00 43.02 42.52 1upc s PHE 553 CO 0.47 -0.27 -0.18 -1.17 -1.46 0.00 0.00 175.22 172.61 1upc s LEU 554 N -0.56 2.04 -0.12 6.12 0.20 -0.80 -0.31 118.68 125.24 1upc s LEU 554 Ca -0.07 -0.33 0.01 0.00 0.69 0.00 0.00 54.13 54.43 1upc s LEU 554 Cb -0.04 -0.93 0.02 0.00 -0.43 0.00 0.00 46.19 44.81 1upc s LEU 554 CO 0.02 0.22 -0.13 -0.63 -0.29 0.00 0.00 176.35 175.54 1upc s ILE 555 N -0.42 1.42 -0.17 6.68 1.01 0.12 -1.76 121.20 128.07 1upc s ILE 555 Ca 0.07 -0.56 -0.16 0.00 0.00 0.00 0.00 60.65 60.00 1upc s ILE 555 Cb -0.07 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1upc s ILE 555 CO -0.01 0.43 0.39 -0.70 0.00 0.00 0.00 174.94 175.05 1upc s GLU 556 N 1.32 4.23 -0.19 2.79 2.12 -0.50 -1.46 118.70 127.01 1upc s GLU 556 Ca 0.00 0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.57 1upc s GLU 556 Cb -0.14 -3.49 0.03 0.00 0.26 0.00 0.00 34.13 30.80 1upc s GLU 556 CO -0.06 0.07 -0.15 0.08 -0.54 0.00 0.00 175.26 174.65 1upc s VAL 557 N 0.95 1.89 0.28 3.70 1.01 -0.46 -1.04 120.40 126.72 1upc s VAL 557 Ca 0.20 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 1upc s VAL 557 Cb -0.14 -1.81 -0.10 0.00 0.00 0.00 0.00 36.38 34.33 1upc s VAL 557 CO 0.07 0.37 1.41 -2.16 0.00 0.00 0.00 175.10 174.79 1upc s PRO 558 N 1.33 4.28 0.21 2.72 0.04 -1.26 -1.95 135.00 140.36 1upc s PRO 558 Ca 0.02 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1upc s PRO 558 Cb -0.15 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 1upc s PRO 558 CO -0.10 -0.37 0.10 0.14 0.04 0.00 0.00 177.00 176.80 1upc s VAL 559 N -0.34 0.27 0.12 -0.36 -7.23 -0.76 -1.73 120.40 110.36 1upc s VAL 559 Ca 0.56 -1.99 -0.06 0.00 -1.81 0.00 0.00 61.98 58.68 1upc s VAL 559 Cb -0.42 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.06 1upc s VAL 559 CO 0.47 -0.11 0.17 0.20 -0.31 0.00 0.00 175.10 175.52 1upc s ASN 560 N -3.20 0.17 -0.13 4.85 -0.87 -1.10 -4.19 114.94 110.48 1upc s ASN 560 Ca 0.35 -0.87 -0.02 0.00 -1.57 0.00 0.00 52.86 50.75 1upc s ASN 560 Cb 0.07 0.35 -0.07 0.00 -0.02 0.00 0.00 41.25 41.58 1upc s ASN 560 CO 0.10 -0.77 -0.13 -1.22 -2.57 0.00 0.00 177.10 172.51 1upc n TYR 561 N -0.10 0.00 -3.39 2.20 4.01 -1.26 -4.56 117.16 114.06 1upc n TYR 561 Ca -0.10 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.43 1upc n TYR 561 Cb 0.63 -0.48 0.01 0.00 -0.31 0.00 0.00 39.34 39.19 1upc n TYR 561 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1upc n ASP 562 N -3.10 -6.22 -4.98 7.72 8.00 -1.26 -4.96 116.55 111.75 1upc n ASP 562 Ca -0.23 -0.28 -0.21 0.00 0.71 0.00 0.00 54.79 54.78 1upc n ASP 562 Cb 0.72 -3.11 0.03 0.00 -0.02 0.00 0.00 41.12 38.74 1upc n ASP 562 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1upc s PHE 563 N -2.50 2.88 -0.51 1.24 -0.12 -1.26 -5.06 117.98 112.66 1upc s PHE 563 Ca 0.15 -0.04 0.04 0.00 -0.05 0.00 0.00 56.93 57.03 1upc s PHE 563 Cb -0.02 -2.67 0.16 0.00 -0.63 0.00 0.00 43.02 39.85 1upc s PHE 563 CO 0.84 -0.78 0.36 -1.14 -0.05 0.00 0.00 175.22 174.45 1upc s GLN 564 N -4.70 1.48 0.65 1.99 0.74 -1.26 -4.99 119.66 113.57 1upc s GLN 564 Ca 0.56 -2.45 0.19 0.00 0.05 0.00 0.00 55.36 53.71 1upc s GLN 564 Cb -0.10 -2.27 0.94 0.00 1.10 0.00 0.00 33.01 32.69 1upc s GLN 564 CO 0.38 -1.30 1.52 -1.00 -0.55 0.00 0.00 175.29 174.34 1upc h PRO 565 N 5.87 0.00 -0.01 1.67 0.13 -1.93 -2.51 132.00 135.22 1upc h PRO 565 Ca 0.16 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.16 1upc h PRO 565 Cb 0.87 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 1upc h PRO 565 CO 0.50 0.00 -0.61 0.78 -0.23 0.00 0.00 178.00 178.44 1upc h GLY 566 N 0.00 0.04 -1.78 1.56 0.00 -1.94 -3.34 103.07 97.61 1upc h GLY 566 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1upc h GLY 566 CO -0.00 0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.20 1upc n GLY 567 N 0.23 1.55 1.51 4.60 0.00 -0.95 -4.32 105.19 107.81 1upc n GLY 567 Ca -0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 46.02 45.58 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 1.77 -0.31 1.61 3.72 -1.25 -2.72 117.46 120.61 1upc n PHE 568 Ca 0.12 -1.31 0.11 0.00 -0.05 0.00 0.00 57.45 56.31 1upc n PHE 568 Cb 0.52 -0.57 0.28 0.00 -0.94 0.00 0.00 39.48 38.77 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 1.79 1.54 1.27 1.37 0.00 -1.89 -1.73 103.07 105.42 1upc h GLY 569 Ca 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1upc h GLY 569 CO 0.56 -0.12 0.31 0.00 0.00 0.00 0.00 176.54 177.29 1upc h ALA 570 N 1.63 1.25 0.00 3.60 0.00 -1.84 -2.42 119.26 121.47 1upc h ALA 570 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1upc h ALA 570 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1upc h ALA 570 CO -0.42 -0.25 0.00 1.28 0.00 0.00 0.00 179.25 179.86 1upc n LEU 571 N -2.39 0.00 -0.18 0.00 4.77 -0.65 -4.94 117.00 113.61 1upc n LEU 571 Ca -0.01 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.99 1upc n LEU 571 Cb 0.34 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1upc n LEU 571 CO 0.09 0.00 0.32 -1.20 -1.33 0.00 0.00 177.39 175.27