#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 1.05 0.40 0.52 2.01 -1.26 -4.64 115.64 113.71 1upc s THR 13 Ca 0.00 -2.00 0.10 0.00 0.31 0.00 0.00 61.69 60.10 1upc s THR 13 Cb 0.00 -2.11 0.18 0.00 0.01 0.00 0.00 72.50 70.58 1upc s THR 13 CO 0.00 0.00 1.96 0.00 -0.69 0.00 0.00 174.62 175.89 1upc h ALA 14 N 1.35 1.58 -0.12 7.40 0.00 -1.12 -1.72 119.26 126.64 1upc h ALA 14 Ca -0.43 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.35 1upc h ALA 14 Cb 1.32 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1upc h ALA 14 CO 0.72 0.31 -0.08 0.00 0.00 0.00 0.00 179.25 180.20 1upc h ALA 15 N 1.69 0.02 -0.23 0.00 0.00 -1.60 0.02 119.26 119.15 1upc h ALA 15 Ca 0.06 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1upc h ALA 15 Cb 0.28 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1upc h ALA 15 CO 0.01 -0.53 -0.08 1.25 0.00 0.00 0.00 179.25 179.90 1upc h HIS 16 N -0.08 -0.17 -0.28 0.00 6.17 -1.76 -2.32 115.15 116.70 1upc h HIS 16 Ca 0.07 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.15 1upc h HIS 16 Cb 0.19 0.11 -0.02 0.00 2.52 0.00 0.00 27.41 30.22 1upc h HIS 16 CO -0.20 -0.12 0.03 0.00 0.71 0.00 0.00 177.93 178.34 1upc h ALA 17 N 1.19 1.54 0.36 5.26 0.00 -0.90 0.12 119.26 126.84 1upc h ALA 17 Ca 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1upc h ALA 17 Cb 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1upc h ALA 17 CO -0.25 0.34 -0.17 1.25 0.00 0.00 0.00 179.25 180.41 1upc h LEU 18 N 0.40 -0.41 -1.23 0.00 5.85 -0.73 -2.01 115.31 117.19 1upc h LEU 18 Ca 0.09 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1upc h LEU 18 Cb 0.21 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1upc h LEU 18 CO 0.00 0.01 0.37 -0.07 -0.34 0.00 0.00 178.44 178.41 1upc h LEU 19 N -0.93 0.80 -1.19 2.25 3.38 -1.14 -1.87 115.31 116.61 1upc h LEU 19 Ca -0.05 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1upc h LEU 19 Cb 0.53 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1upc h LEU 19 CO 0.08 0.64 -0.31 -1.28 0.09 0.00 0.00 178.44 177.66 1upc h SER 20 N 0.91 0.15 1.11 -0.43 0.87 -0.75 -2.08 113.55 113.34 1upc h SER 20 Ca 0.23 -0.05 -0.18 0.00 -1.23 0.00 0.00 61.79 60.57 1upc h SER 20 Cb 0.01 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 1upc h SER 20 CO -0.04 0.47 -0.91 -0.09 -0.53 0.00 0.00 176.83 175.72 1upc h ARG 21 N 0.13 0.00 -0.14 2.24 9.65 -0.83 -2.01 114.38 123.42 1upc h ARG 21 Ca 0.02 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 1upc h ARG 21 Cb 0.63 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.20 1upc h ARG 21 CO 0.05 0.73 -0.01 -0.07 2.80 0.00 0.00 179.97 183.46 1upc h LEU 22 N 0.00 0.25 -1.38 3.80 3.38 -1.16 -2.71 115.31 117.48 1upc h LEU 22 Ca -0.04 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 57.68 1upc h LEU 22 Cb 1.64 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.28 1upc h LEU 22 CO 0.10 0.52 0.49 -0.09 0.09 0.00 0.00 178.44 179.54 1upc h ARG 23 N -0.03 0.70 0.00 1.13 1.12 -1.40 -0.02 114.38 115.88 1upc h ARG 23 Ca 0.04 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 58.84 1upc h ARG 23 Cb 0.40 -0.16 -0.00 0.00 -0.01 0.00 0.00 29.97 30.19 1upc h ARG 23 CO 0.01 0.46 -0.12 -0.44 -3.11 0.00 0.00 179.97 176.78 1upc h ASP 24 N 0.72 0.00 -0.50 -3.80 3.32 -1.06 -2.23 116.42 112.87 1upc h ASP 24 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1upc h ASP 24 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1upc h ASP 24 CO -0.12 0.12 0.00 1.41 -1.72 0.00 0.00 179.24 178.93 1upc n HIS 25 N -4.11 0.74 -0.24 4.55 8.25 -0.07 -4.75 115.22 119.58 1upc n HIS 25 Ca -0.02 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 1upc n HIS 25 Cb 0.20 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.28 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 1.23 0.62 3.72 -1.41 0.00 -0.84 -4.68 105.19 103.83 1upc n GLY 26 Ca 0.17 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 -2.48 3.84 0.00 1.61 1.01 -0.88 -4.90 120.40 118.59 1upc s VAL 27 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.35 1upc s VAL 27 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1upc s VAL 27 CO 0.00 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1upc n GLY 28 N 2.99 0.54 3.13 4.51 0.00 -1.26 -3.97 105.19 111.12 1upc n GLY 28 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.46 0.74 -0.17 1.61 -0.14 -1.26 -1.86 119.74 117.21 1upc s LYS 29 Ca 0.00 -0.83 0.01 0.00 -1.36 0.00 0.00 55.97 53.79 1upc s LYS 29 Cb 0.00 -0.68 0.03 0.00 -1.68 0.00 0.00 37.83 35.50 1upc s LYS 29 CO 0.00 0.15 -0.13 0.08 -0.76 0.00 0.00 175.35 174.69 1upc s VAL 30 N -1.17 1.61 0.05 3.17 1.01 -0.27 -4.33 120.40 120.47 1upc s VAL 30 Ca -0.03 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 60.99 1upc s VAL 30 Cb -0.09 -1.57 -0.06 0.00 0.00 0.00 0.00 36.38 34.65 1upc s VAL 30 CO 0.01 0.36 0.53 -0.36 0.00 0.00 0.00 175.10 175.65 1upc s PHE 31 N 1.45 3.77 -1.21 5.22 0.40 -0.85 -0.77 117.98 125.99 1upc s PHE 31 Ca 0.03 1.20 0.00 0.00 -0.60 0.00 0.00 56.93 57.56 1upc s PHE 31 Cb -0.14 -2.46 0.00 0.00 0.51 0.00 0.00 43.02 40.93 1upc s PHE 31 CO -0.10 0.57 0.00 0.41 0.70 0.00 0.00 175.22 176.80 1upc n GLY 32 N 1.84 -1.30 2.93 4.36 0.00 -0.61 -1.00 105.19 111.40 1upc n GLY 32 Ca -0.11 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.91 1.14 0.05 1.61 1.01 -0.82 -1.58 120.40 118.90 1upc s VAL 33 Ca 0.00 -0.37 -0.20 0.00 0.00 0.00 0.00 61.98 61.41 1upc s VAL 33 Cb 0.00 -1.13 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 1upc s VAL 33 CO 0.00 0.39 0.60 -0.69 0.00 0.00 0.00 175.10 175.39 1upc s VAL 34 N 1.62 4.77 0.00 2.92 1.01 -1.26 -3.71 120.40 125.75 1upc s VAL 34 Ca 0.04 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.29 1upc s VAL 34 Cb -0.13 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1upc s VAL 34 CO -0.08 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1upc n GLY 35 N 1.96 4.15 0.34 4.51 0.00 -1.26 -4.95 105.19 109.94 1upc n GLY 35 Ca -0.09 -1.93 0.23 0.00 0.00 0.00 0.00 46.02 44.23 1upc n GLY 35 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1upc h ARG 36 N 0.00 0.00 0.00 1.61 0.11 -2.00 -0.87 114.38 113.23 1upc h ARG 36 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1upc h ARG 36 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1upc h ARG 36 CO 0.00 0.00 0.03 -0.85 0.10 0.00 0.00 179.97 179.25 1upc n GLU 37 N -3.06 0.00 0.21 0.08 0.00 -1.26 -2.03 120.64 114.58 1upc n GLU 37 Ca -0.03 0.45 0.17 0.00 0.00 0.00 0.00 57.16 57.75 1upc n GLU 37 Cb 0.08 -1.53 0.75 0.00 0.00 0.00 0.00 31.44 30.73 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 1.86 1.75 0.00 -1.84 0.00 -1.32 0.32 119.26 120.03 1upc h ALA 38 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1upc h ALA 38 Cb 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1upc h ALA 38 CO 0.00 -0.53 -0.22 0.00 0.00 0.00 0.00 179.25 178.50 1upc h ALA 39 N 1.35 1.21 0.00 0.00 0.00 -1.68 -3.27 119.26 116.86 1upc h ALA 39 Ca 0.10 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.59 1upc h ALA 39 Cb 0.95 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1upc h ALA 39 CO -0.00 0.27 -2.24 0.43 0.00 0.00 0.00 179.25 177.71 1upc n SER 40 N -3.65 0.01 -3.82 0.00 7.64 0.99 -4.95 113.62 109.84 1upc n SER 40 Ca -0.01 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.68 1upc n SER 40 Cb 0.34 1.39 -0.17 0.00 -1.01 0.00 0.00 64.21 64.76 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 -2.89 0.31 -0.15 0.44 2.07 -0.41 -4.48 121.20 116.10 1upc s ILE 41 Ca -0.09 0.05 0.09 0.00 -1.41 0.00 0.00 60.65 59.28 1upc s ILE 41 Cb 0.09 -0.41 -0.23 0.00 0.13 0.00 0.00 42.46 42.04 1upc s ILE 41 CO 0.86 0.19 0.24 -0.11 -1.91 0.00 0.00 174.94 174.21 1upc n LEU 42 N 4.36 1.35 0.00 8.50 0.00 -1.26 -4.21 117.00 125.74 1upc n LEU 42 Ca -0.21 0.13 0.00 0.00 0.00 0.00 0.00 56.01 55.93 1upc n LEU 42 Cb 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 43.42 43.74 1upc n LEU 42 CO 0.20 0.62 0.00 0.49 0.00 0.00 0.00 177.39 178.70 1upc n PHE 43 N -3.08 0.00 0.03 1.96 3.72 -1.26 -4.91 117.46 113.92 1upc n PHE 43 Ca -0.31 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.21 1upc n PHE 43 Cb 1.07 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 39.88 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 0.00 3.68 0.08 4.37 5.75 -1.26 -4.58 116.55 124.59 1upc n ASP 44 Ca 0.00 -2.00 0.04 0.00 -0.01 0.00 0.00 54.79 52.83 1upc n ASP 44 Cb 0.00 -0.35 0.46 0.00 -1.03 0.00 0.00 41.12 40.20 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 4.43 0.37 -4.56 0.11 3.07 -1.92 -3.42 114.58 112.65 1upc h GLU 45 Ca 0.00 -0.03 -0.53 0.00 -0.50 0.00 0.00 59.36 58.29 1upc h GLU 45 Cb 0.99 -0.08 -0.34 0.00 -0.84 0.00 0.00 28.75 28.48 1upc h GLU 45 CO 0.00 0.29 -0.82 0.08 -1.40 0.00 0.00 179.01 177.16 1upc s VAL 46 N -5.25 1.21 0.21 3.13 1.01 -1.26 -5.01 120.40 114.45 1upc s VAL 46 Ca -0.07 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 1upc s VAL 46 Cb 0.17 -1.12 -0.09 0.00 0.00 0.00 0.00 36.38 35.34 1upc s VAL 46 CO 0.72 0.38 1.33 -1.61 0.00 0.00 0.00 175.10 175.92 1upc s GLU 47 N 0.84 4.37 0.00 2.72 0.41 -1.26 -3.24 118.70 122.53 1upc s GLU 47 Ca -0.11 2.11 0.00 0.00 -0.41 0.00 0.00 54.97 56.56 1upc s GLU 47 Cb -0.15 -3.17 0.00 0.00 -1.78 0.00 0.00 34.13 29.02 1upc s GLU 47 CO 0.02 -0.28 0.00 0.41 -0.49 0.00 0.00 175.26 174.92 1upc n GLY 48 N 2.26 0.51 2.93 -1.39 0.00 -1.26 -5.06 105.19 103.18 1upc n GLY 48 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.08 1.09 0.04 -0.61 2.07 -1.20 -4.40 121.20 116.11 1upc s ILE 49 Ca 0.00 -0.34 0.07 0.00 -1.41 0.00 0.00 60.65 58.97 1upc s ILE 49 Cb 0.00 -1.08 -0.03 0.00 0.13 0.00 0.00 42.46 41.48 1upc s ILE 49 CO 0.00 0.37 -0.19 -1.81 -1.91 0.00 0.00 174.94 171.40 1upc s ASP 50 N 1.55 3.72 0.11 4.50 1.01 -0.78 -4.82 116.67 121.97 1upc s ASP 50 Ca 0.02 -0.44 -0.26 0.00 0.71 0.00 0.00 52.55 52.58 1upc s ASP 50 Cb -0.13 -0.57 -0.07 0.00 1.01 0.00 0.00 42.92 43.16 1upc s ASP 50 CO -0.07 0.26 0.81 0.12 0.21 0.00 0.00 175.17 176.50 1upc s PHE 51 N -0.90 3.82 -0.39 4.23 5.36 -1.26 -1.11 117.98 127.73 1upc s PHE 51 Ca 0.14 1.61 0.00 0.00 -0.96 0.00 0.00 56.93 57.73 1upc s PHE 51 Cb -0.10 -2.85 0.11 0.00 -0.34 0.00 0.00 43.02 39.83 1upc s PHE 51 CO 0.05 0.35 0.14 0.08 -1.46 0.00 0.00 175.22 174.38 1upc s VAL 52 N -0.47 2.83 0.25 3.12 1.01 0.05 -4.92 120.40 122.26 1upc s VAL 52 Ca 0.39 -2.24 -0.30 0.00 0.00 0.00 0.00 61.98 59.83 1upc s VAL 52 Cb -0.22 -2.99 -0.09 0.00 0.00 0.00 0.00 36.38 33.07 1upc s VAL 52 CO 0.26 -0.66 1.12 -0.22 0.00 0.00 0.00 175.10 175.60 1upc s LEU 53 N 0.96 4.52 0.00 3.92 2.96 -1.26 -1.58 118.68 128.21 1upc s LEU 53 Ca 0.10 2.25 0.01 0.00 -0.22 0.00 0.00 54.13 56.27 1upc s LEU 53 Cb -0.21 -3.62 -0.00 0.00 0.50 0.00 0.00 46.19 42.86 1upc s LEU 53 CO -0.06 -0.20 0.02 0.35 -1.32 0.00 0.00 176.35 175.14 1upc n THR 54 N 1.58 0.00 0.23 3.68 -2.24 -0.61 -4.89 114.28 112.03 1upc n THR 54 Ca 0.00 -1.99 0.11 0.00 -2.27 0.00 0.00 64.05 59.90 1upc n THR 54 Cb 0.45 0.46 -0.10 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.00 0.51 -3.77 -0.78 5.12 -1.26 -4.78 116.66 110.70 1upc n ARG 55 Ca -0.15 -0.09 -0.13 0.00 -1.93 0.00 0.00 57.85 55.56 1upc n ARG 55 Cb 0.53 -1.59 -0.10 0.00 -1.16 0.00 0.00 32.46 30.15 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 -3.38 -0.21 0.34 -1.55 2.46 -1.26 -5.03 115.29 106.67 1upc s HIS 56 Ca -0.03 0.41 0.14 0.00 0.47 0.00 0.00 55.06 56.05 1upc s HIS 56 Cb 0.13 0.09 0.70 0.00 -0.13 0.00 0.00 32.58 33.38 1upc s HIS 56 CO 0.86 -0.31 1.80 0.93 -2.47 0.00 0.00 174.74 175.56 1upc h GLU 57 N 4.50 0.00 -0.47 2.88 3.07 -1.91 -2.76 114.58 119.89 1upc h GLU 57 Ca -0.29 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 58.65 1upc h GLU 57 Cb 1.18 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.03 1upc h GLU 57 CO 0.37 0.40 0.12 0.35 -1.40 0.00 0.00 179.01 178.85 1upc h PHE 58 N 0.00 0.21 -0.96 4.33 3.57 -1.87 -1.62 116.94 120.60 1upc h PHE 58 Ca -0.00 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.59 1upc h PHE 58 Cb 0.72 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.38 1upc h PHE 58 CO 0.00 0.04 0.63 1.15 -2.23 0.00 0.00 178.31 177.89 1upc h THR 59 N 0.27 1.09 -0.14 4.41 2.02 -1.85 -1.65 112.91 117.06 1upc h THR 59 Ca 0.23 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1upc h THR 59 Cb 0.28 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 1upc h THR 59 CO -0.28 0.21 0.05 0.00 0.37 0.00 0.00 175.52 175.87 1upc h ALA 60 N 1.47 0.18 -0.21 6.16 0.00 -1.29 -2.18 119.26 123.39 1upc h ALA 60 Ca 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1upc h ALA 60 Cb 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1upc h ALA 60 CO -0.16 -0.22 0.08 0.78 0.00 0.00 0.00 179.25 179.73 1upc h GLY 61 N 0.06 0.35 1.01 0.00 0.00 -0.82 -2.38 103.07 101.28 1upc h GLY 61 Ca 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1upc h GLY 61 CO -0.00 0.18 0.40 -2.08 0.00 0.00 0.00 176.54 175.04 1upc h VAL 62 N 0.19 1.21 -0.27 4.60 2.07 -1.39 -0.58 116.25 122.09 1upc h VAL 62 Ca 0.07 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 1upc h VAL 62 Cb 0.19 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1upc h VAL 62 CO -0.00 0.23 -0.03 0.00 0.02 0.00 0.00 177.57 177.79 1upc h ALA 63 N 1.20 1.46 -0.31 1.67 0.00 -1.27 0.03 119.26 122.04 1upc h ALA 63 Ca 0.25 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 1upc h ALA 63 Cb 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1upc h ALA 63 CO -0.04 0.39 -0.46 0.00 0.00 0.00 0.00 179.25 179.13 1upc h ALA 64 N 1.58 0.47 -0.45 0.00 0.00 -1.05 -1.09 119.26 118.73 1upc h ALA 64 Ca 0.09 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1upc h ALA 64 Cb 0.31 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1upc h ALA 64 CO 0.01 0.63 0.27 0.22 0.00 0.00 0.00 179.25 180.38 1upc h ASP 65 N 0.64 0.53 -0.13 0.00 1.82 -0.12 0.80 116.42 119.96 1upc h ASP 65 Ca 0.03 -0.05 -0.09 0.00 -0.39 0.00 0.00 57.03 56.53 1upc h ASP 65 Cb 1.07 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.94 1upc h ASP 65 CO 0.11 0.43 -0.25 0.58 -1.61 0.00 0.00 179.24 178.50 1upc h VAL 66 N 0.59 1.37 -0.72 2.25 2.07 -1.05 -2.13 116.25 118.63 1upc h VAL 66 Ca 0.16 -1.51 0.10 0.00 0.82 0.00 0.00 66.70 66.27 1upc h VAL 66 Cb -0.01 2.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 1upc h VAL 66 CO -0.03 0.45 0.47 0.25 0.02 0.00 0.00 177.57 178.73 1upc h LEU 67 N 0.01 0.52 -0.23 2.57 5.85 -1.07 -2.38 115.31 120.57 1upc h LEU 67 Ca 0.01 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.57 1upc h LEU 67 Cb 0.84 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1upc h LEU 67 CO 0.06 0.31 -0.51 0.00 -0.34 0.00 0.00 178.44 177.95 1upc h ALA 68 N 1.64 0.38 -0.20 1.25 0.00 -0.65 -2.36 119.26 119.32 1upc h ALA 68 Ca 0.33 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1upc h ALA 68 Cb 0.53 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1upc h ALA 68 CO -0.12 0.56 0.06 -0.09 0.00 0.00 0.00 179.25 179.67 1upc h ARG 69 N 0.49 0.15 0.03 0.00 2.43 -0.94 0.31 114.38 116.86 1upc h ARG 69 Ca 0.00 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 1upc h ARG 69 Cb 1.12 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1upc h ARG 69 CO 0.11 0.10 -0.62 0.82 -1.51 0.00 0.00 179.97 178.87 1upc h ILE 70 N 0.16 1.45 0.00 1.20 2.04 -1.52 -3.19 117.51 117.65 1upc h ILE 70 Ca 0.09 -2.17 -0.07 0.00 1.00 0.00 0.00 64.86 63.71 1upc h ILE 70 Cb 0.06 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 1upc h ILE 70 CO -0.10 0.62 -0.33 0.71 0.00 0.00 0.00 178.15 179.06 1upc h THR 71 N -0.19 0.84 -0.55 -0.27 1.35 -1.49 -3.47 112.91 109.13 1upc h THR 71 Ca -0.09 -1.33 -0.23 0.00 -0.55 0.00 0.00 66.41 64.20 1upc h THR 71 Cb 1.36 1.82 -0.09 0.00 -1.73 0.00 0.00 68.15 69.51 1upc h THR 71 CO 0.12 0.32 -0.21 0.61 -0.25 0.00 0.00 175.52 176.11 1upc n GLY 72 N 0.06 1.24 3.36 5.82 0.00 0.09 -5.03 105.19 110.73 1upc n GLY 72 Ca -0.01 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.88 1.33 0.42 1.61 0.52 -1.19 -4.84 118.95 113.92 1upc s ARG 73 Ca 0.00 -1.41 -0.26 0.00 -0.52 0.00 0.00 55.73 53.54 1upc s ARG 73 Cb 0.00 -1.52 -0.09 0.00 0.52 0.00 0.00 34.95 33.87 1upc s ARG 73 CO 0.00 0.32 1.37 -2.14 0.02 0.00 0.00 175.30 174.88 1upc s PRO 74 N -2.62 3.86 0.40 3.54 0.02 -1.26 -4.36 135.00 134.58 1upc s PRO 74 Ca 0.16 2.31 0.03 0.00 0.02 0.00 0.00 61.00 63.53 1upc s PRO 74 Cb -0.07 -2.74 -0.04 0.00 0.02 0.00 0.00 34.50 31.67 1upc s PRO 74 CO 0.07 -0.64 0.07 -0.65 -0.33 0.00 0.00 177.00 175.53 1upc s GLN 75 N -2.31 1.90 -0.04 5.54 -1.52 -0.95 -4.58 119.66 117.70 1upc s GLN 75 Ca 0.58 -2.14 -0.03 0.00 -1.95 0.00 0.00 55.36 51.82 1upc s GLN 75 Cb -0.41 -0.95 0.01 0.00 -0.22 0.00 0.00 33.01 31.44 1upc s GLN 75 CO 0.54 -0.34 0.10 0.00 -0.25 0.00 0.00 175.29 175.34 1upc s ALA 76 N -3.13 -0.22 0.28 6.09 0.00 -1.26 -0.72 121.76 122.80 1upc s ALA 76 Ca 0.25 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.55 1upc s ALA 76 Cb 0.05 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 1upc s ALA 76 CO 0.13 -0.06 0.10 0.00 0.00 0.00 0.00 175.76 175.93 1upc s TRP 78 N -3.66 -0.68 0.20 0.00 -0.11 -0.17 -2.12 118.94 112.39 1upc s TRP 78 Ca 0.37 1.59 -0.12 0.00 1.22 0.00 0.00 56.10 59.16 1upc s TRP 78 Cb 0.07 0.27 -0.00 0.00 -1.50 0.00 0.00 33.47 32.31 1upc s TRP 78 CO 0.14 -0.33 0.39 0.00 -4.62 0.00 0.00 176.95 172.53 1upc s ALA 79 N 0.55 -0.22 0.84 5.86 0.00 -0.53 -1.95 121.76 126.32 1upc s ALA 79 Ca -0.02 -0.78 -0.07 0.00 0.00 0.00 0.00 51.96 51.09 1upc s ALA 79 Cb -0.05 0.95 0.17 0.00 0.00 0.00 0.00 23.12 24.20 1upc s ALA 79 CO -0.03 -0.74 1.15 -0.08 0.00 0.00 0.00 175.76 176.06 1upc s THR 80 N -3.97 2.03 0.98 0.00 -1.32 -1.24 -1.95 115.64 110.15 1upc s THR 80 Ca 0.18 -0.37 -0.11 0.00 -1.21 0.00 0.00 61.69 60.18 1upc s THR 80 Cb 0.01 -2.66 0.18 0.00 -1.51 0.00 0.00 72.50 68.52 1upc s THR 80 CO 0.03 0.00 1.09 -1.48 -2.21 0.00 0.00 174.62 172.05 1upc s LEU 81 N -5.49 2.04 0.00 9.08 2.34 -1.15 -1.52 118.68 123.98 1upc s LEU 81 Ca 0.71 1.72 0.00 0.00 0.06 0.00 0.00 54.13 56.62 1upc s LEU 81 Cb -0.04 -3.99 0.00 0.00 -0.56 0.00 0.00 46.19 41.61 1upc s LEU 81 CO 0.48 -3.22 0.00 0.61 -1.06 0.00 0.00 176.35 173.16 1upc n GLY 82 N -0.17 3.14 0.28 -3.48 0.00 -1.10 -2.16 105.19 101.71 1upc n GLY 82 Ca 0.07 0.20 0.16 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.01 1.61 0.13 -1.85 -1.61 132.00 130.28 1upc h PRO 83 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1upc h PRO 83 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1upc h PRO 83 CO 0.00 0.06 -0.03 0.78 -0.23 0.00 0.00 178.00 178.58 1upc h GLY 84 N 1.51 -0.02 0.94 1.56 0.00 -1.52 -0.86 103.07 104.68 1upc h GLY 84 Ca -0.00 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1upc h GLY 84 CO 0.01 -0.03 0.16 1.98 0.00 0.00 0.00 176.54 178.65 1upc h MET 85 N -0.05 0.60 -0.27 4.80 1.85 -0.33 -1.50 114.93 120.03 1upc h MET 85 Ca 0.01 -0.11 -0.07 0.00 -0.61 0.00 0.00 59.70 58.92 1upc h MET 85 Cb 0.07 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 31.99 1upc h MET 85 CO -0.04 0.57 -0.14 1.79 -0.40 0.00 0.00 176.91 178.69 1upc h THR 86 N 0.51 1.23 -0.52 -0.77 1.35 -1.31 0.82 112.91 114.21 1upc h THR 86 Ca 0.13 -1.02 -0.11 0.00 -0.55 0.00 0.00 66.41 64.87 1upc h THR 86 Cb 0.19 1.17 -0.02 0.00 -1.73 0.00 0.00 68.15 67.77 1upc h THR 86 CO -0.01 0.33 -0.12 0.78 -0.25 0.00 0.00 175.52 176.25 1upc h ASN 87 N 0.42 0.99 -0.27 5.36 4.21 -1.02 -2.74 115.58 122.53 1upc h ASN 87 Ca 0.08 -0.33 -0.07 0.00 1.21 0.00 0.00 56.30 57.19 1upc h ASN 87 Cb 0.50 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.41 1upc h ASN 87 CO 0.03 1.11 -0.05 0.25 -1.29 0.00 0.00 177.43 177.47 1upc h LEU 88 N 0.88 0.61 -1.69 1.61 6.46 -0.56 -3.22 115.31 119.40 1upc h LEU 88 Ca 0.13 -0.15 0.18 0.00 -0.12 0.00 0.00 57.88 57.93 1upc h LEU 88 Cb 0.68 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.40 1upc h LEU 88 CO 0.05 0.71 0.54 0.77 -0.62 0.00 0.00 178.44 179.89 1upc h SER 89 N 0.59 0.27 -0.14 1.25 4.64 -0.54 0.30 113.55 119.92 1upc h SER 89 Ca 0.11 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.38 1upc h SER 89 Cb 0.46 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1upc h SER 89 CO 0.02 0.13 -0.16 0.74 -0.87 0.00 0.00 176.83 176.69 1upc h THR 90 N 0.28 1.24 -0.26 2.95 2.02 -1.66 0.51 112.91 118.00 1upc h THR 90 Ca 0.39 -1.10 -0.10 0.00 0.77 0.00 0.00 66.41 66.37 1upc h THR 90 Cb 1.11 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 1upc h THR 90 CO -0.10 0.36 -0.27 1.23 0.37 0.00 0.00 175.52 177.10 1upc h GLY 91 N 0.96 0.55 0.99 2.16 0.00 -0.65 -1.47 103.07 105.60 1upc h GLY 91 Ca 0.08 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 1upc h GLY 91 CO 0.04 0.42 0.00 -2.22 0.00 0.00 0.00 176.54 174.78 1upc h ILE 92 N 0.44 1.26 -0.62 2.60 2.04 0.13 -2.62 117.51 120.74 1upc h ILE 92 Ca 0.06 -1.05 -0.05 0.00 1.00 0.00 0.00 64.86 64.82 1upc h ILE 92 Cb 0.71 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1upc h ILE 92 CO 0.05 0.36 0.19 0.00 0.00 0.00 0.00 178.15 178.75 1upc h ALA 93 N 0.92 1.15 -0.76 1.87 0.00 0.04 -0.28 119.26 122.20 1upc h ALA 93 Ca 0.13 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1upc h ALA 93 Cb 0.50 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1upc h ALA 93 CO 0.02 0.58 0.43 1.15 0.00 0.00 0.00 179.25 181.43 1upc h THR 94 N 0.92 0.92 0.01 0.00 2.02 -1.13 -2.17 112.91 113.48 1upc h THR 94 Ca 0.20 -0.25 -0.20 0.00 0.77 0.00 0.00 66.41 66.93 1upc h THR 94 Cb 0.28 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1upc h THR 94 CO -0.01 0.13 -0.90 -1.28 0.37 0.00 0.00 175.52 173.83 1upc h SER 95 N 0.74 0.27 0.02 4.18 0.87 -0.90 -1.28 113.55 117.45 1upc h SER 95 Ca 0.36 -0.22 -0.17 0.00 -1.23 0.00 0.00 61.79 60.53 1upc h SER 95 Cb 0.30 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1upc h SER 95 CO -0.23 1.04 -0.58 1.62 -0.53 0.00 0.00 176.83 178.15 1upc h VAL 96 N 0.11 1.32 0.12 2.23 3.04 -0.85 -1.37 116.25 120.86 1upc h VAL 96 Ca -0.05 -1.84 -0.34 0.00 -1.01 0.00 0.00 66.70 63.46 1upc h VAL 96 Cb 1.54 1.81 -0.01 0.00 -2.01 0.00 0.00 31.29 32.61 1upc h VAL 96 CO 0.14 0.57 -1.85 -0.07 -1.01 0.00 0.00 177.57 175.35 1upc h LEU 97 N 0.44 0.40 0.00 3.16 3.38 -1.42 -3.35 115.31 117.91 1upc h LEU 97 Ca 0.00 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.21 1upc h LEU 97 Cb 1.14 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1upc h LEU 97 CO 0.11 1.67 -0.29 0.44 0.09 0.00 0.00 178.44 180.46 1upc h ASP 98 N 0.07 0.00 -3.17 -0.43 5.19 -1.35 -3.39 116.42 113.34 1upc h ASP 98 Ca -0.36 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1upc h ASP 98 Cb 2.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.55 1upc h ASP 98 CO 0.12 0.03 -0.05 0.54 -3.12 0.00 0.00 179.24 176.76 1upc n ARG 99 N -2.47 -0.21 -3.87 3.56 5.12 -0.57 -4.92 116.66 113.30 1upc n ARG 99 Ca 0.04 0.64 -0.11 0.00 -1.93 0.00 0.00 57.85 56.48 1upc n ARG 99 Cb 0.47 -1.67 -0.12 0.00 -1.16 0.00 0.00 32.46 29.98 1upc n ARG 99 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1upc s SER 100 N -0.81 -0.01 -1.04 0.55 1.04 -0.88 -4.82 113.70 107.74 1upc s SER 100 Ca 0.01 -0.02 -0.23 0.00 0.48 0.00 0.00 55.95 56.20 1upc s SER 100 Cb -0.00 0.18 0.05 0.00 0.10 0.00 0.00 66.02 66.34 1upc s SER 100 CO 0.06 -0.15 1.49 -2.16 0.98 0.00 0.00 173.24 173.45 1upc s PRO 101 N -0.53 3.58 -0.10 4.02 0.04 -1.26 -2.89 135.00 137.86 1upc s PRO 101 Ca -0.06 -1.15 0.01 0.00 0.04 0.00 0.00 61.00 59.84 1upc s PRO 101 Cb -0.04 -5.36 -0.02 0.00 0.04 0.00 0.00 34.50 29.12 1upc s PRO 101 CO 0.00 -2.26 -0.13 0.08 0.04 0.00 0.00 177.00 174.73 1upc s VAL 102 N 5.11 3.06 -0.36 -0.36 1.01 -1.20 -2.25 120.40 125.41 1upc s VAL 102 Ca 0.47 -0.68 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 1upc s VAL 102 Cb 0.00 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.12 1upc s VAL 102 CO -0.08 0.55 0.37 -0.63 0.00 0.00 0.00 175.10 175.31 1upc s ILE 103 N -0.02 5.16 -0.16 2.22 -1.09 0.10 -0.21 121.20 127.20 1upc s ILE 103 Ca -0.03 -0.09 -0.05 0.00 -2.23 0.00 0.00 60.65 58.25 1upc s ILE 103 Cb -0.14 -3.87 -0.03 0.00 -1.58 0.00 0.00 42.46 36.83 1upc s ILE 103 CO 0.04 -0.18 -0.01 0.00 -1.23 0.00 0.00 174.94 173.57 1upc s ALA 104 N 2.02 3.13 -0.06 9.38 0.00 0.59 -1.62 121.76 135.20 1upc s ALA 104 Ca 0.11 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.31 1upc s ALA 104 Cb -0.17 -1.66 0.01 0.00 0.00 0.00 0.00 23.12 21.30 1upc s ALA 104 CO 0.12 0.23 -0.14 -0.51 0.00 0.00 0.00 175.76 175.45 1upc s LEU 105 N 0.30 1.76 -0.01 0.00 1.43 -0.90 -1.72 118.68 119.53 1upc s LEU 105 Ca -0.01 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1upc s LEU 105 Cb -0.13 -0.88 0.01 0.00 0.03 0.00 0.00 46.19 45.22 1upc s LEU 105 CO 0.02 0.08 -0.03 0.00 0.23 0.00 0.00 176.35 176.65 1upc s ALA 106 N 0.43 0.35 0.84 4.21 0.00 -1.00 -1.45 121.76 125.13 1upc s ALA 106 Ca -0.11 -0.05 -0.13 0.00 0.00 0.00 0.00 51.96 51.67 1upc s ALA 106 Cb -0.14 -0.18 0.07 0.00 0.00 0.00 0.00 23.12 22.87 1upc s ALA 106 CO 0.03 0.03 0.97 0.00 0.00 0.00 0.00 175.76 176.80 1upc n ALA 107 N 3.41 -0.78 -2.22 0.00 0.00 -0.82 -0.36 120.51 119.74 1upc n ALA 107 Ca -0.18 -0.40 -0.13 0.00 0.00 0.00 0.00 53.44 52.73 1upc n ALA 107 Cb 0.55 -2.11 -0.10 0.00 0.00 0.00 0.00 19.45 17.79 1upc n ALA 107 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1upc s GLN 108 N -3.94 0.99 0.83 0.00 2.00 0.29 -2.95 119.66 116.88 1upc s GLN 108 Ca 0.69 -1.44 -0.15 0.00 -2.00 0.00 0.00 55.36 52.46 1upc s GLN 108 Cb -0.28 -0.36 -0.03 0.00 0.80 0.00 0.00 33.01 33.14 1upc s GLN 108 CO 0.56 -0.02 0.31 0.43 -0.50 0.00 0.00 175.29 176.06 1upc n SER 109 N -0.16 -2.17 -4.63 6.67 7.64 -1.26 -1.93 113.62 117.79 1upc n SER 109 Ca -0.10 0.45 -0.44 0.00 1.01 0.00 0.00 58.87 59.80 1upc n SER 109 Cb 0.61 -1.15 -0.01 0.00 -1.01 0.00 0.00 64.21 62.66 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 -0.63 1.61 -0.26 1.43 4.71 -1.26 -3.93 120.64 122.29 1upc n GLU 110 Ca 0.07 0.56 0.03 0.00 -0.01 0.00 0.00 57.16 57.81 1upc n GLU 110 Cb 0.52 -2.01 0.16 0.00 -1.01 0.00 0.00 31.44 29.09 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 2.14 0.52 0.71 1.62 4.64 -1.90 0.40 113.55 121.67 1upc h SER 111 Ca -0.42 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1upc h SER 111 Cb 1.32 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1upc h SER 111 CO 0.61 0.28 0.00 0.00 -0.87 0.00 0.00 176.83 176.85 1upc n HIS 112 N -4.84 0.12 -1.06 4.77 1.44 -1.26 -3.20 115.22 111.19 1upc n HIS 112 Ca 0.13 0.04 0.07 0.00 -2.01 0.00 0.00 57.72 55.95 1upc n HIS 112 Cb 0.30 -0.57 0.25 0.00 0.12 0.00 0.00 29.99 30.09 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 -1.60 3.65 -4.51 4.39 2.03 0.12 -4.95 116.55 115.67 1upc n ASP 113 Ca 0.04 -3.13 -0.42 0.00 0.52 0.00 0.00 54.79 51.81 1upc n ASP 113 Cb 0.24 -0.56 -0.03 0.00 -0.72 0.00 0.00 41.12 40.05 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 -2.89 4.09 -0.50 5.18 1.01 -1.14 -4.77 121.20 122.18 1upc s ILE 114 Ca 0.42 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.76 1upc s ILE 114 Cb 0.35 -4.85 0.14 0.00 0.01 0.00 0.00 42.46 38.11 1upc s ILE 114 CO 0.07 -1.70 0.30 -0.36 0.00 0.00 0.00 174.94 173.25 1upc s PHE 115 N 4.64 2.39 0.22 3.97 0.08 -1.26 -5.05 117.98 122.96 1upc s PHE 115 Ca 0.33 -2.71 -0.32 0.00 0.12 0.00 0.00 56.93 54.35 1upc s PHE 115 Cb -0.09 -2.11 -0.14 0.00 -0.57 0.00 0.00 43.02 40.11 1upc s PHE 115 CO 0.05 -0.74 1.33 -2.30 -0.10 0.00 0.00 175.22 173.46 1upc n PRO 116 N 3.13 1.76 -1.06 0.24 -0.02 -1.26 -1.04 135.00 136.74 1upc n PRO 116 Ca 0.12 0.63 -0.02 0.00 -2.02 0.00 0.00 63.50 62.20 1upc n PRO 116 Cb 0.35 -2.23 -0.01 0.00 -0.02 0.00 0.00 33.50 31.59 1upc n PRO 116 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1upc n ASN 117 N 2.09 -4.90 0.03 2.55 3.02 0.06 -4.74 115.26 113.37 1upc n ASN 117 Ca 0.13 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1upc n ASN 117 Cb 0.29 -2.60 0.00 0.00 -0.61 0.00 0.00 39.78 36.87 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 -0.58 0.22 -4.77 6.41 8.00 -0.21 -5.05 116.55 120.57 1upc n ASP 118 Ca -0.02 0.10 -0.40 0.00 0.71 0.00 0.00 54.79 55.18 1upc n ASP 118 Cb 0.35 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 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 2.30 -0.16 -3.53 2.01 -0.26 -4.89 115.64 109.11 1upc s THR 119 Ca 0.00 0.29 -0.37 0.00 0.31 0.00 0.00 61.69 61.91 1upc s THR 119 Cb 0.00 -3.17 -0.14 0.00 0.01 0.00 0.00 72.50 69.20 1upc s THR 119 CO 0.00 0.05 1.78 1.57 -0.69 0.00 0.00 174.62 177.33 1upc n HIS 120 N 0.20 2.16 -1.09 4.92 -0.00 -1.26 -1.49 115.22 118.66 1upc n HIS 120 Ca 0.03 0.29 -0.03 0.00 0.46 0.00 0.00 57.72 58.47 1upc n HIS 120 Cb 0.42 -2.55 -0.01 0.00 -0.12 0.00 0.00 29.99 27.72 1upc n HIS 120 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1upc n GLN 121 N 5.72 -0.94 -3.52 1.57 6.02 -1.26 -4.95 117.38 120.02 1upc n GLN 121 Ca 0.24 0.44 -0.39 0.00 -0.01 0.00 0.00 57.00 57.28 1upc n GLN 121 Cb 0.21 -4.25 -0.10 0.00 1.02 0.00 0.00 30.24 27.12 1upc n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1upc s LEU 123 N 1.86 2.61 -1.23 0.00 1.43 -1.26 -0.76 118.68 121.33 1upc s LEU 123 Ca 0.09 -1.19 -0.12 0.00 -1.03 0.00 0.00 54.13 51.89 1upc s LEU 123 Cb -0.16 -0.83 0.18 0.00 0.03 0.00 0.00 46.19 45.41 1upc s LEU 123 CO 0.11 -0.27 1.60 -0.67 0.23 0.00 0.00 176.35 177.35 1upc n ASP 124 N -0.69 5.22 -0.22 2.29 -0.08 -1.26 -4.83 116.55 116.97 1upc n ASP 124 Ca -0.05 -3.04 -0.04 0.00 -1.51 0.00 0.00 54.79 50.15 1upc n ASP 124 Cb 0.63 -1.52 0.07 0.00 2.34 0.00 0.00 41.12 42.64 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 6.53 0.62 -0.68 1.67 0.02 -1.99 -1.47 113.55 118.26 1upc h SER 125 Ca 0.34 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.26 1upc h SER 125 Cb 0.77 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 1upc h SER 125 CO 1.39 0.43 0.26 0.58 -1.14 0.00 0.00 176.83 178.35 1upc h VAL 126 N 0.75 1.24 -0.33 2.27 2.07 -1.91 -1.28 116.25 119.06 1upc h VAL 126 Ca 0.26 -0.77 -0.08 0.00 0.82 0.00 0.00 66.70 66.94 1upc h VAL 126 Cb 0.04 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1upc h VAL 126 CO -0.11 0.30 -0.12 0.00 0.02 0.00 0.00 177.57 177.66 1upc h ALA 127 N 1.12 1.19 -0.13 1.67 0.00 -1.72 -0.71 119.26 120.67 1upc h ALA 127 Ca 0.22 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1upc h ALA 127 Cb 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1upc h ALA 127 CO -0.02 0.52 -0.70 0.82 0.00 0.00 0.00 179.25 179.87 1upc h ILE 128 N 0.52 1.33 0.00 0.00 2.04 -0.97 -3.36 117.51 117.07 1upc h ILE 128 Ca 0.09 -2.01 -0.12 0.00 1.00 0.00 0.00 64.86 63.82 1upc h ILE 128 Cb 0.51 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 1upc h ILE 128 CO 0.03 0.62 -2.13 0.52 0.00 0.00 0.00 178.15 177.19 1upc n VAL 129 N -3.90 0.46 -0.30 1.67 0.31 -0.51 -4.35 118.33 111.72 1upc n VAL 129 Ca -0.05 -0.62 0.07 0.00 -0.01 0.00 0.00 64.34 63.73 1upc n VAL 129 Cb 0.70 -0.15 0.22 0.00 -0.91 0.00 0.00 33.84 33.69 1upc n VAL 129 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1upc h ALA 130 N 1.67 1.27 0.00 3.52 0.00 -1.28 -2.14 119.26 122.30 1upc h ALA 130 Ca -0.18 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1upc h ALA 130 Cb 1.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1upc h ALA 130 CO 0.01 -0.07 0.00 -1.35 0.00 0.00 0.00 179.25 177.84 1upc h PRO 131 N 0.64 0.00 -0.37 0.00 0.11 -1.79 -2.95 132.00 127.64 1upc h PRO 131 Ca 0.46 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.43 1upc h PRO 131 Cb 0.62 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.65 1upc h PRO 131 CO -0.35 0.00 0.01 0.00 -0.21 0.00 0.00 178.00 177.45 1upc n MET 132 N -3.02 2.31 -3.98 1.05 0.00 -0.83 -5.03 117.12 107.62 1upc n MET 132 Ca 0.00 -3.04 -0.09 0.00 0.00 0.00 0.00 57.70 54.57 1upc n MET 132 Cb 0.28 -1.86 -0.07 0.00 0.00 0.00 0.00 33.22 31.56 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 -2.20 0.08 0.38 3.17 1.04 -1.03 -4.63 113.70 110.52 1upc s SER 133 Ca 0.45 -0.90 0.24 0.00 0.48 0.00 0.00 55.95 56.22 1upc s SER 133 Cb 0.39 0.41 0.50 0.00 0.10 0.00 0.00 66.02 67.42 1upc s SER 133 CO 0.04 -0.86 1.67 0.11 0.98 0.00 0.00 173.24 175.18 1upc h LYS 134 N 2.60 0.00 -1.22 4.02 1.79 -1.31 -3.46 116.57 118.99 1upc h LYS 134 Ca -0.32 0.00 0.18 0.00 -2.18 0.00 0.00 60.65 58.32 1upc h LYS 134 Cb 1.22 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 31.56 1upc h LYS 134 CO 0.50 0.00 0.63 -0.47 -1.08 0.00 0.00 179.45 179.03 1upc s TYR 135 N -3.20 -0.24 -0.07 -1.35 5.04 -1.26 -4.91 117.35 111.36 1upc s TYR 135 Ca 0.08 0.47 -0.05 0.00 -2.44 0.00 0.00 57.07 55.13 1upc s TYR 135 Cb 0.07 0.15 0.03 0.00 0.35 0.00 0.00 41.96 42.56 1upc s TYR 135 CO 0.64 -0.12 0.18 0.00 -1.34 0.00 0.00 175.55 174.92 1upc s ALA 136 N 1.11 -0.41 0.06 3.97 0.00 -1.26 -0.39 121.76 124.85 1upc s ALA 136 Ca -0.08 0.66 -0.22 0.00 0.00 0.00 0.00 51.96 52.32 1upc s ALA 136 Cb -0.03 -0.42 0.05 0.00 0.00 0.00 0.00 23.12 22.73 1upc s ALA 136 CO -0.11 -0.13 0.52 0.54 0.00 0.00 0.00 175.76 176.57 1upc s VAL 137 N 0.69 0.03 -0.16 0.00 0.11 -0.55 -4.99 120.40 115.53 1upc s VAL 137 Ca -0.05 -0.25 -0.01 0.00 -2.93 0.00 0.00 61.98 58.75 1upc s VAL 137 Cb -0.06 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.78 1upc s VAL 137 CO -0.04 -0.14 -0.12 -0.70 -3.33 0.00 0.00 175.10 170.78 1upc s GLU 138 N -2.68 3.31 0.24 1.54 2.12 -1.26 -0.29 118.70 121.69 1upc s GLU 138 Ca -0.04 -0.70 -0.31 0.00 0.36 0.00 0.00 54.97 54.28 1upc s GLU 138 Cb -0.00 -2.71 -0.12 0.00 0.26 0.00 0.00 34.13 31.55 1upc s GLU 138 CO -0.04 0.04 1.59 -0.11 -0.54 0.00 0.00 175.26 176.21 1upc n LEU 139 N 4.02 3.86 0.00 2.70 7.94 -0.29 -4.92 117.00 130.31 1upc n LEU 139 Ca -0.19 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.83 1upc n LEU 139 Cb 0.52 -1.54 0.00 0.00 0.53 0.00 0.00 43.42 42.93 1upc n LEU 139 CO 0.29 -0.02 -0.48 0.00 -1.11 0.00 0.00 177.39 176.08 1upc n GLN 140 N 2.76 2.43 -3.96 1.96 6.02 -1.26 -4.64 117.38 120.69 1upc n GLN 140 Ca 0.12 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.82 1upc n GLN 140 Cb 0.34 -0.98 -0.16 0.00 1.02 0.00 0.00 30.24 30.46 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 -1.95 1.87 0.32 -1.09 0.52 -1.26 -5.05 118.95 112.31 1upc s ARG 141 Ca 0.00 -0.51 0.09 0.00 -0.52 0.00 0.00 55.73 54.78 1upc s ARG 141 Cb 0.00 -2.00 0.90 0.00 0.52 0.00 0.00 34.95 34.38 1upc s ARG 141 CO 0.00 -0.31 1.66 -1.35 0.02 0.00 0.00 175.30 175.32 1upc h PRO 142 N 8.09 0.30 0.00 3.54 0.11 -1.83 -1.77 132.00 140.43 1upc h PRO 142 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1upc h PRO 142 Cb 1.12 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1upc h PRO 142 CO 0.46 0.20 0.00 -2.39 -0.21 0.00 0.00 178.00 176.06 1upc n HIS 143 N -5.10 0.59 1.21 0.65 1.44 -1.25 -2.40 115.22 110.35 1upc n HIS 143 Ca 0.27 0.22 0.14 0.00 -2.01 0.00 0.00 57.72 56.33 1upc n HIS 143 Cb 0.83 -0.86 0.52 0.00 0.12 0.00 0.00 29.99 30.59 1upc n HIS 143 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1upc n GLU 144 N -2.03 0.37 -0.25 -1.40 1.02 -0.67 -3.96 120.64 113.74 1upc n GLU 144 Ca 0.03 -0.14 0.23 0.00 -0.02 0.00 0.00 57.16 57.27 1upc n GLU 144 Cb 0.24 -1.50 0.58 0.00 -0.02 0.00 0.00 31.44 30.75 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 0.34 0.60 -0.12 -3.67 6.09 -1.64 -0.19 117.51 118.91 1upc h ILE 145 Ca 0.00 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.40 1upc h ILE 145 Cb 0.43 0.30 -0.01 0.00 0.47 0.00 0.00 36.82 38.02 1upc h ILE 145 CO 0.00 0.05 0.08 0.74 -3.07 0.00 0.00 178.15 175.95 1upc h THR 146 N 0.27 1.04 -0.00 2.19 2.02 -1.84 -0.83 112.91 115.76 1upc h THR 146 Ca 0.49 -0.09 -0.12 0.00 0.77 0.00 0.00 66.41 67.46 1upc h THR 146 Cb 1.44 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1upc h THR 146 CO -0.15 0.04 -0.58 -2.24 0.37 0.00 0.00 175.52 172.96 1upc h ASP 147 N 0.16 0.01 -0.45 4.18 3.04 -1.37 -2.51 116.42 119.47 1upc h ASP 147 Ca 0.04 -0.01 -0.14 0.00 -3.24 0.00 0.00 57.03 53.69 1upc h ASP 147 Cb -0.01 -0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.27 1upc h ASP 147 CO -0.01 0.59 -0.24 -0.07 -2.04 0.00 0.00 179.24 177.47 1upc h LEU 148 N 0.01 1.00 -0.68 0.15 3.38 -1.01 -1.49 115.31 116.68 1upc h LEU 148 Ca -0.01 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.57 1upc h LEU 148 Cb 1.03 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1upc h LEU 148 CO 0.08 1.19 0.44 0.58 0.09 0.00 0.00 178.44 180.82 1upc h VAL 149 N 0.81 1.14 -0.54 1.22 2.07 -1.04 -0.65 116.25 119.27 1upc h VAL 149 Ca 0.10 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1upc h VAL 149 Cb 0.83 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1upc h VAL 149 CO 0.07 0.16 0.16 0.44 0.02 0.00 0.00 177.57 178.43 1upc h ASP 150 N 0.89 0.79 0.25 0.57 3.32 -1.26 -0.69 116.42 120.28 1upc h ASP 150 Ca 0.26 -0.21 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 1upc h ASP 150 Cb -0.06 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1upc h ASP 150 CO -0.07 0.79 -0.47 0.28 -1.72 0.00 0.00 179.24 178.04 1upc h SER 151 N 0.75 0.29 -0.47 6.45 0.02 -1.11 -1.25 113.55 118.23 1upc h SER 151 Ca 0.17 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1upc h SER 151 Cb 0.29 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1upc h SER 151 CO -0.00 0.72 0.18 0.00 -1.14 0.00 0.00 176.83 176.59 1upc h ALA 152 N 1.29 0.61 -0.27 3.77 0.00 -0.75 -2.07 119.26 121.84 1upc h ALA 152 Ca 0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1upc h ALA 152 Cb 0.92 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1upc h ALA 152 CO 0.08 0.23 -0.27 0.28 0.00 0.00 0.00 179.25 179.57 1upc h VAL 153 N 0.62 1.27 -0.58 0.00 2.07 -0.88 -0.72 116.25 118.03 1upc h VAL 153 Ca 0.16 -1.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 1upc h VAL 153 Cb 0.21 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1upc h VAL 153 CO -0.01 0.42 0.22 0.78 0.02 0.00 0.00 177.57 179.00 1upc h ASN 154 N 0.47 0.81 0.86 0.57 2.35 -0.98 -1.01 115.58 118.66 1upc h ASN 154 Ca 0.07 -0.18 -0.23 0.00 -0.55 0.00 0.00 56.30 55.40 1upc h ASN 154 Cb 0.71 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 1upc h ASN 154 CO 0.05 0.77 -1.16 0.00 -1.65 0.00 0.00 177.43 175.44 1upc h ALA 155 N 1.07 0.40 -0.58 -0.83 0.00 -1.20 -3.13 119.26 114.99 1upc h ALA 155 Ca 0.19 -1.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.03 1upc h ALA 155 Cb 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1upc h ALA 155 CO -0.01 1.28 0.16 0.00 0.00 0.00 0.00 179.25 180.67 1upc h ALA 156 N 0.94 0.77 -0.40 0.00 0.00 -0.99 -3.05 119.26 116.53 1upc h ALA 156 Ca -0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1upc h ALA 156 Cb 1.84 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1upc h ALA 156 CO 0.13 0.46 0.04 -1.33 0.00 0.00 0.00 179.25 178.55 1upc n MET 157 N -4.38 3.40 -4.30 0.00 2.00 -0.40 -2.21 117.12 111.23 1upc n MET 157 Ca 0.03 -2.05 -0.35 0.00 0.00 0.00 0.00 57.70 55.33 1upc n MET 157 Cb 0.23 -1.98 -0.09 0.00 0.00 0.00 0.00 33.22 31.37 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 -2.15 4.48 0.24 2.03 2.01 -1.15 -0.50 115.64 120.60 1upc s THR 158 Ca 0.36 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 1upc s THR 158 Cb 0.28 -2.90 -0.09 0.00 0.01 0.00 0.00 72.50 69.80 1upc s THR 158 CO 0.10 0.61 1.11 -1.61 -0.69 0.00 0.00 174.62 174.14 1upc s GLU 159 N -0.90 4.62 -0.11 4.92 0.41 0.01 -1.97 118.70 125.68 1upc s GLU 159 Ca 0.13 1.79 -0.30 0.00 -0.41 0.00 0.00 54.97 56.19 1upc s GLU 159 Cb -0.11 -3.22 -0.03 0.00 -1.78 0.00 0.00 34.13 28.99 1upc s GLU 159 CO 0.03 0.15 1.28 -1.25 -0.49 0.00 0.00 175.26 174.98 1upc s PRO 160 N -1.06 4.27 0.68 0.39 0.04 -1.26 -4.83 135.00 133.23 1upc s PRO 160 Ca 0.46 1.72 -0.17 0.00 0.04 0.00 0.00 61.00 63.06 1upc s PRO 160 Cb -0.31 -3.70 -0.01 0.00 0.04 0.00 0.00 34.50 30.51 1upc s PRO 160 CO 0.39 -0.63 1.06 1.33 0.04 0.00 0.00 177.00 179.18 1upc n VAL 161 N 5.11 3.57 -3.71 -0.36 0.24 -0.83 -4.97 118.33 117.38 1upc n VAL 161 Ca 0.13 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1upc n VAL 161 Cb 0.45 -1.21 0.00 0.00 -1.47 0.00 0.00 33.84 31.61 1upc n VAL 161 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1upc n GLY 162 N 1.08 0.85 3.83 7.63 0.00 -0.94 -3.50 105.19 114.14 1upc n GLY 162 Ca 0.14 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 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 4.12 -0.04 1.61 0.04 -1.19 -3.22 135.00 134.32 1upc s PRO 163 Ca 0.03 0.73 0.07 0.00 0.04 0.00 0.00 61.00 61.87 1upc s PRO 163 Cb -0.00 -2.74 -0.01 0.00 0.04 0.00 0.00 34.50 31.78 1upc s PRO 163 CO 0.00 0.33 -0.25 -1.12 0.04 0.00 0.00 177.00 176.01 1upc s SER 164 N -1.88 2.97 -0.10 6.66 0.01 0.71 -0.91 113.70 121.17 1upc s SER 164 Ca 0.46 -0.48 0.04 0.00 1.31 0.00 0.00 55.95 57.28 1upc s SER 164 Cb -0.14 -0.59 -0.00 0.00 0.21 0.00 0.00 66.02 65.50 1upc s SER 164 CO 0.20 0.27 -0.23 0.12 0.41 0.00 0.00 173.24 174.01 1upc s PHE 165 N -0.36 2.57 -0.15 2.43 5.36 0.47 -0.30 117.98 128.00 1upc s PHE 165 Ca 0.03 -0.96 0.00 0.00 -0.96 0.00 0.00 56.93 55.04 1upc s PHE 165 Cb -0.12 -1.71 0.03 0.00 -0.34 0.00 0.00 43.02 40.88 1upc s PHE 165 CO 0.01 -0.36 -0.13 0.42 -1.46 0.00 0.00 175.22 173.70 1upc s ILE 166 N 0.26 1.51 -0.14 3.12 1.01 -0.70 -1.49 121.20 124.77 1upc s ILE 166 Ca -0.16 -0.65 -0.16 0.00 0.00 0.00 0.00 60.65 59.68 1upc s ILE 166 Cb -0.17 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1upc s ILE 166 CO 0.08 0.40 0.40 -0.55 0.00 0.00 0.00 174.94 175.27 1upc s SER 167 N 1.50 6.58 -0.44 3.58 0.15 0.60 -2.38 113.70 123.29 1upc s SER 167 Ca 0.04 0.68 0.03 0.00 0.70 0.00 0.00 55.95 57.40 1upc s SER 167 Cb -0.13 -2.24 0.12 0.00 -1.71 0.00 0.00 66.02 62.06 1upc s SER 167 CO -0.10 0.05 0.19 -0.76 1.20 0.00 0.00 173.24 173.82 1upc s LEU 168 N 0.54 3.76 0.26 3.45 1.43 0.52 -1.13 118.68 127.50 1upc s LEU 168 Ca 0.22 -2.58 -0.31 0.00 -1.03 0.00 0.00 54.13 50.43 1upc s LEU 168 Cb -0.14 -1.40 -0.13 0.00 0.03 0.00 0.00 46.19 44.55 1upc s LEU 168 CO 0.07 -0.29 1.40 -2.65 0.23 0.00 0.00 176.35 175.11 1upc n PRO 169 N 3.66 2.09 -0.05 1.29 -0.02 -1.26 -0.55 135.00 140.15 1upc n PRO 169 Ca 0.05 0.74 0.01 0.00 -2.02 0.00 0.00 63.50 62.28 1upc n PRO 169 Cb 0.36 -2.39 0.33 0.00 -0.02 0.00 0.00 33.50 31.78 1upc n PRO 169 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1upc h VAL 170 N 2.97 1.16 -0.28 -1.45 2.07 -1.51 -1.23 116.25 117.99 1upc h VAL 170 Ca -0.45 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 1upc h VAL 170 Cb 1.27 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1upc h VAL 170 CO 0.73 0.19 -0.05 -2.24 0.02 0.00 0.00 177.57 176.22 1upc h ASP 171 N 0.65 0.53 -0.49 0.57 2.03 -1.88 -2.38 116.42 115.45 1upc h ASP 171 Ca 0.16 -0.35 -0.09 0.00 -0.73 0.00 0.00 57.03 56.02 1upc h ASP 171 Cb 0.08 -0.14 -0.02 0.00 -0.83 0.00 0.00 39.33 38.42 1upc h ASP 171 CO -0.02 0.75 -0.02 -0.07 -1.03 0.00 0.00 179.24 178.85 1upc h LEU 172 N 0.29 0.91 -1.21 0.15 3.38 -1.81 -2.29 115.31 114.73 1upc h LEU 172 Ca 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1upc h LEU 172 Cb 0.52 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1upc h LEU 172 CO 0.02 0.98 0.28 0.25 0.09 0.00 0.00 178.44 180.07 1upc h LEU 173 N 0.86 0.74 -1.45 1.67 5.85 -1.21 -2.70 115.31 119.06 1upc h LEU 173 Ca 0.15 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1upc h LEU 173 Cb 0.53 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1upc h LEU 173 CO 0.03 0.64 0.00 0.61 -0.34 0.00 0.00 178.44 179.37 1upc n GLY 174 N -1.16 0.80 3.93 3.75 0.00 -0.90 -1.70 105.19 109.90 1upc n GLY 174 Ca 0.05 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 1upc n GLY 174 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1upc s SER 175 N -1.21 6.36 0.00 1.61 0.15 -0.91 -4.82 113.70 114.88 1upc s SER 175 Ca 0.30 0.25 0.14 0.00 0.70 0.00 0.00 55.95 57.35 1upc s SER 175 Cb 0.16 -1.95 0.30 0.00 -1.71 0.00 0.00 66.02 62.82 1upc s SER 175 CO 0.22 0.14 1.20 -1.54 1.20 0.00 0.00 173.24 174.46 1upc n SER 176 N 0.07 2.87 -4.68 5.45 3.41 -1.26 -1.02 113.62 118.46 1upc n SER 176 Ca -0.05 -1.86 -0.43 0.00 -0.26 0.00 0.00 58.87 56.26 1upc n SER 176 Cb 0.52 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.85 2.69 -0.83 4.33 2.13 -1.26 -1.75 120.64 126.79 1upc n GLU 177 Ca 0.13 0.98 0.00 0.00 0.66 0.00 0.00 57.16 58.93 1upc n GLU 177 Cb 0.44 -2.88 0.00 0.00 0.27 0.00 0.00 31.44 29.27 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 4.32 0.87 3.41 8.31 0.00 -1.26 -3.88 105.19 116.97 1upc n GLY 178 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.46 4.70 0.00 -0.61 1.01 -0.72 -4.76 121.20 117.36 1upc s ILE 179 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1upc s ILE 179 Cb 0.00 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.92 1upc s ILE 179 CO 0.00 -0.15 0.00 0.47 0.00 0.00 0.00 174.94 175.26 1upc n ASP 180 N 5.02 0.00 -2.57 3.58 10.43 -1.26 -5.01 116.55 126.73 1upc n ASP 180 Ca -0.12 0.00 -0.05 0.00 2.57 0.00 0.00 54.79 57.19 1upc n ASP 180 Cb 0.47 0.00 0.01 0.00 1.84 0.00 0.00 41.12 43.44 1upc n ASP 180 CO 0.00 0.00 0.00 -0.81 -1.07 0.00 0.00 177.20 175.32 1upc n PRO 184 N -0.25 -1.67 -2.46 -0.24 -0.04 -1.26 -5.14 135.00 123.94 1upc n PRO 184 Ca 0.00 1.66 -0.42 0.00 -0.04 0.00 0.00 63.50 64.69 1upc n PRO 184 Cb 0.00 -4.74 -0.03 0.00 -0.04 0.00 0.00 33.50 28.70 1upc n PRO 184 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1upc s ASN 185 N -2.35 7.04 0.82 3.54 -0.87 -1.26 -5.03 114.94 116.84 1upc s ASN 185 Ca 0.15 1.78 -0.10 0.00 -1.57 0.00 0.00 52.86 53.12 1upc s ASN 185 Cb -0.04 -2.56 0.09 0.00 -0.02 0.00 0.00 41.25 38.72 1upc s ASN 185 CO 0.59 -0.60 1.11 -2.16 -2.57 0.00 0.00 177.10 173.47 1upc s PRO 186 N 2.38 1.84 0.51 -0.60 0.04 -1.26 -4.93 135.00 132.97 1upc s PRO 186 Ca 0.55 1.30 -0.22 0.00 0.04 0.00 0.00 61.00 62.67 1upc s PRO 186 Cb -0.24 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 1upc s PRO 186 CO 0.21 -1.98 1.25 -1.25 0.04 0.00 0.00 177.00 175.26 1upc s PRO 187 N -4.82 3.41 0.15 0.56 0.04 -1.26 -4.93 135.00 128.16 1upc s PRO 187 Ca 0.63 1.96 -0.05 0.00 0.04 0.00 0.00 61.00 63.59 1upc s PRO 187 Cb -0.19 -2.28 -0.00 0.00 0.04 0.00 0.00 34.50 32.06 1upc s PRO 187 CO 0.57 -0.89 1.40 0.00 0.04 0.00 0.00 177.00 178.11 1upc h ALA 188 N 1.66 0.51 -6.64 8.56 0.00 -1.92 -3.48 119.26 117.95 1upc h ALA 188 Ca -0.50 -0.61 -0.53 0.00 0.00 0.00 0.00 54.91 53.27 1upc h ALA 188 Cb 1.27 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1upc h ALA 188 CO 0.58 0.74 -0.93 0.09 0.00 0.00 0.00 179.25 179.74 1upc n ASN 189 N -3.86 -1.09 -4.69 0.00 3.02 -1.26 -4.90 115.26 102.48 1upc n ASN 189 Ca -0.05 -1.10 -0.42 0.00 -0.03 0.00 0.00 54.58 52.97 1upc n ASN 189 Cb 0.72 -2.62 -0.03 0.00 -0.61 0.00 0.00 39.78 37.24 1upc n ASN 189 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1upc s THR 190 N -3.95 3.18 0.20 3.41 2.01 -1.26 -4.94 115.64 114.29 1upc s THR 190 Ca 0.12 0.61 -0.33 0.00 0.31 0.00 0.00 61.69 62.40 1upc s THR 190 Cb -0.05 -3.39 -0.13 0.00 0.01 0.00 0.00 72.50 68.94 1upc s THR 190 CO 0.92 -0.00 1.59 -2.65 -0.69 0.00 0.00 174.62 173.79 1upc n PRO 191 N 5.60 2.35 0.06 4.92 -0.02 -1.26 -4.89 135.00 141.76 1upc n PRO 191 Ca 0.15 0.85 -0.07 0.00 -2.02 0.00 0.00 63.50 62.41 1upc n PRO 191 Cb 0.41 -2.62 0.09 0.00 -0.02 0.00 0.00 33.50 31.36 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 5.77 0.76 -2.44 3.55 0.00 -1.93 -3.45 119.26 121.52 1upc h ALA 192 Ca -0.45 -0.55 -0.13 0.00 0.00 0.00 0.00 54.91 53.79 1upc h ALA 192 Cb 1.24 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.79 1upc h ALA 192 CO 0.88 0.72 -0.64 -1.59 0.00 0.00 0.00 179.25 178.62 1upc s LYS 193 N -3.79 0.57 0.33 0.00 -2.85 -1.26 -4.94 119.74 107.80 1upc s LYS 193 Ca -0.05 -1.03 -0.26 0.00 -1.00 0.00 0.00 55.97 53.63 1upc s LYS 193 Cb 0.11 0.20 -0.13 0.00 -2.06 0.00 0.00 37.83 35.95 1upc s LYS 193 CO 0.82 -0.11 0.86 -2.30 0.10 0.00 0.00 175.35 174.71 1upc n PRO 194 N 0.46 1.05 -2.47 1.78 -0.02 -1.26 -4.94 135.00 129.59 1upc n PRO 194 Ca -0.17 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 1upc n PRO 194 Cb 0.60 -1.72 -0.03 0.00 -0.02 0.00 0.00 33.50 32.32 1upc n PRO 194 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1upc s VAL 195 N -1.18 3.99 0.44 -1.45 1.01 0.35 -4.90 120.40 118.66 1upc s VAL 195 Ca 0.61 1.55 0.04 0.00 0.00 0.00 0.00 61.98 64.18 1upc s VAL 195 Cb -0.68 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 31.66 1upc s VAL 195 CO 0.59 0.19 0.02 -0.83 0.00 0.00 0.00 175.10 175.06 1upc s GLY 196 N 0.54 2.69 0.33 4.51 0.00 -1.26 -0.81 107.32 113.32 1upc s GLY 196 Ca 0.54 -1.48 -0.03 0.00 0.00 0.00 0.00 44.72 43.75 1upc s GLY 196 CO 0.32 -2.11 0.57 -1.34 0.00 0.00 0.00 173.10 170.55 1upc s VAL 197 N -2.84 5.04 -0.11 1.40 -7.23 -0.22 -4.98 120.40 111.48 1upc s VAL 197 Ca 0.23 -0.12 -0.04 0.00 -1.81 0.00 0.00 61.98 60.24 1upc s VAL 197 Cb 0.06 -3.79 0.05 0.00 0.56 0.00 0.00 36.38 33.27 1upc s VAL 197 CO 0.12 -0.46 0.21 -0.69 -0.31 0.00 0.00 175.10 173.97 1upc s VAL 198 N -2.23 -0.32 0.23 1.32 1.01 -1.26 -3.54 120.40 115.61 1upc s VAL 198 Ca 0.43 0.31 -0.25 0.00 0.00 0.00 0.00 61.98 62.47 1upc s VAL 198 Cb -0.10 -0.36 -0.09 0.00 0.00 0.00 0.00 36.38 35.83 1upc s VAL 198 CO 0.34 0.13 0.82 0.00 0.00 0.00 0.00 175.10 176.39 1upc s ALA 199 N 2.27 3.37 0.33 5.51 0.00 -0.13 -4.98 121.76 128.13 1upc s ALA 199 Ca 0.01 0.39 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 1upc s ALA 199 Cb -0.12 -3.01 -0.12 0.00 0.00 0.00 0.00 23.12 19.87 1upc s ALA 199 CO -0.07 0.26 1.46 -3.47 0.00 0.00 0.00 175.76 173.94 1upc n ASP 200 N 1.13 3.45 0.00 0.00 2.03 -1.26 -2.53 116.55 119.36 1upc n ASP 200 Ca -0.03 1.19 0.00 0.00 0.52 0.00 0.00 54.79 56.48 1upc n ASP 200 Cb 0.49 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.33 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 1.15 0.52 0.28 0.27 0.00 -1.26 -4.94 105.19 101.21 1upc n GLY 201 Ca 0.05 -0.35 0.01 0.00 0.00 0.00 0.00 46.02 45.73 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 0.53 -0.43 1.61 5.08 -1.83 -2.17 115.95 118.75 1upc h TRP 202 Ca 0.00 -0.04 0.00 0.00 1.08 0.00 0.00 58.89 59.93 1upc h TRP 202 Cb 0.00 -0.16 -0.02 0.00 -3.00 0.00 0.00 29.16 25.98 1upc h TRP 202 CO 0.00 0.48 0.28 1.96 -1.28 0.00 0.00 178.44 179.88 1upc h GLN 203 N 0.51 0.58 -0.61 0.12 7.50 -1.92 0.67 115.11 121.97 1upc h GLN 203 Ca 0.12 -0.04 0.07 0.00 0.50 0.00 0.00 58.65 59.29 1upc h GLN 203 Cb 0.24 -0.13 -0.06 0.00 0.05 0.00 0.00 27.48 27.58 1upc h GLN 203 CO 0.00 0.40 0.30 -0.22 -1.50 0.00 0.00 178.83 177.81 1upc h LYS 204 N 0.58 0.53 0.00 1.46 3.64 -1.89 -1.40 116.57 119.49 1upc h LYS 204 Ca 0.16 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1upc h LYS 204 Cb -0.04 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1upc h LYS 204 CO -0.03 0.35 -0.31 0.00 -2.27 0.00 0.00 179.45 177.19 1upc h ALA 205 N 1.35 1.14 0.00 5.00 0.00 -0.76 -1.82 119.26 124.17 1upc h ALA 205 Ca 0.29 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1upc h ALA 205 Cb 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1upc h ALA 205 CO -0.22 0.38 -0.71 0.00 0.00 0.00 0.00 179.25 178.71 1upc h ALA 206 N 1.69 0.75 -0.20 0.00 0.00 -0.47 -2.40 119.26 118.64 1upc h ALA 206 Ca -0.00 -0.64 -0.18 0.00 0.00 0.00 0.00 54.91 54.08 1upc h ALA 206 Cb 0.71 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1upc h ALA 206 CO 0.04 0.89 -0.60 -0.44 0.00 0.00 0.00 179.25 179.13 1upc h ASP 207 N 0.00 0.74 -0.25 0.00 3.32 -0.77 -1.71 116.42 117.75 1upc h ASP 207 Ca -0.01 -0.42 -0.06 0.00 0.02 0.00 0.00 57.03 56.56 1upc h ASP 207 Cb 1.32 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 1upc h ASP 207 CO 0.09 1.17 -0.04 1.56 -1.72 0.00 0.00 179.24 180.30 1upc h GLN 208 N 0.49 0.59 -0.14 3.56 4.20 -1.18 -0.88 115.11 121.76 1upc h GLN 208 Ca -0.00 -0.15 -0.19 0.00 0.06 0.00 0.00 58.65 58.37 1upc h GLN 208 Cb 1.18 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.88 1upc h GLN 208 CO 0.12 0.65 -0.68 0.00 -0.67 0.00 0.00 178.83 178.25 1upc h ALA 209 N 1.40 0.56 -0.79 3.87 0.00 -1.36 -2.23 119.26 120.71 1upc h ALA 209 Ca 0.11 -0.57 0.11 0.00 0.00 0.00 0.00 54.91 54.56 1upc h ALA 209 Cb 0.42 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 1upc h ALA 209 CO 0.02 0.72 0.42 0.00 0.00 0.00 0.00 179.25 180.41 1upc h ALA 210 N 0.86 1.14 -0.08 0.00 0.00 -0.76 -0.56 119.26 119.87 1upc h ALA 210 Ca -0.02 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1upc h ALA 210 Cb 1.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1upc h ALA 210 CO 0.13 -0.01 -0.51 0.00 0.00 0.00 0.00 179.25 178.86 1upc h ALA 211 N 1.48 1.00 -0.45 0.00 0.00 -0.94 -1.59 119.26 118.75 1upc h ALA 211 Ca 0.40 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1upc h ALA 211 Cb 0.46 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1upc h ALA 211 CO -0.29 0.66 -0.17 -0.07 0.00 0.00 0.00 179.25 179.38 1upc h LEU 212 N 0.16 0.88 -0.51 0.00 3.38 -1.10 -3.07 115.31 115.05 1upc h LEU 212 Ca 0.00 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 1upc h LEU 212 Cb 0.96 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1upc h LEU 212 CO 0.08 1.04 -0.08 0.25 0.09 0.00 0.00 178.44 179.82 1upc h LEU 213 N 0.77 0.96 -0.18 1.67 5.85 -0.72 -2.34 115.31 121.32 1upc h LEU 213 Ca 0.11 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.54 1upc h LEU 213 Cb 0.70 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 1upc h LEU 213 CO 0.05 1.08 -0.13 0.00 -0.34 0.00 0.00 178.44 179.10 1upc h ALA 214 N 0.92 0.01 0.00 1.25 0.00 -1.32 -2.14 119.26 117.98 1upc h ALA 214 Ca 0.14 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1upc h ALA 214 Cb 0.63 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1upc h ALA 214 CO 0.04 -0.56 -0.23 1.05 0.00 0.00 0.00 179.25 179.55 1upc h GLU 215 N -0.13 0.00 -6.87 0.00 -0.00 -1.52 -3.46 114.58 102.60 1upc h GLU 215 Ca 0.11 0.00 -0.50 0.00 -0.00 0.00 0.00 59.36 58.97 1upc h GLU 215 Cb 0.29 0.00 0.03 0.00 -0.00 0.00 0.00 28.75 29.07 1upc h GLU 215 CO -0.26 0.23 0.47 0.00 -0.00 0.00 0.00 179.01 179.45 1upc s ALA 216 N -4.02 3.29 -0.16 1.06 0.00 -0.81 -4.99 121.76 116.14 1upc s ALA 216 Ca -0.02 0.88 -0.08 0.00 0.00 0.00 0.00 51.96 52.74 1upc s ALA 216 Cb 0.13 -3.33 -0.24 0.00 0.00 0.00 0.00 23.12 19.68 1upc s ALA 216 CO 0.64 -0.25 0.25 1.63 0.00 0.00 0.00 175.76 178.02 1upc n LYS 217 N 0.68 0.71 -3.64 0.00 4.01 -1.26 -4.76 118.16 113.90 1upc n LYS 217 Ca 0.01 0.30 -0.28 0.00 -0.51 0.00 0.00 58.31 57.83 1upc n LYS 217 Cb 0.46 -1.68 -0.12 0.00 -0.51 0.00 0.00 35.03 33.18 1upc n LYS 217 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1upc s HIS 218 N -2.52 2.05 0.49 2.13 0.09 -1.26 -4.13 115.29 112.14 1upc s HIS 218 Ca -0.25 -2.60 -0.11 0.00 -0.00 0.00 0.00 55.06 52.09 1upc s HIS 218 Cb 0.07 -1.73 -0.06 0.00 -0.00 0.00 0.00 32.58 30.86 1upc s HIS 218 CO 0.71 -0.74 0.89 -1.25 -0.00 0.00 0.00 174.74 174.36 1upc s PRO 219 N -0.21 3.75 0.05 8.40 0.04 -1.26 -1.82 135.00 143.95 1upc s PRO 219 Ca 0.25 0.62 0.04 0.00 0.04 0.00 0.00 61.00 61.95 1upc s PRO 219 Cb -0.09 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 32.17 1upc s PRO 219 CO -0.11 -0.25 -0.13 0.14 0.04 0.00 0.00 177.00 176.70 1upc s VAL 220 N -2.68 0.98 -0.41 -0.36 -7.23 -0.09 -4.15 120.40 106.47 1upc s VAL 220 Ca 0.54 -1.13 -0.16 0.00 -1.81 0.00 0.00 61.98 59.42 1upc s VAL 220 Cb -0.10 -0.94 0.02 0.00 0.56 0.00 0.00 36.38 35.92 1upc s VAL 220 CO 0.38 -0.17 0.39 -0.76 -0.31 0.00 0.00 175.10 174.63 1upc s LEU 221 N -1.46 4.87 -0.53 1.32 1.43 0.56 -1.68 118.68 123.20 1upc s LEU 221 Ca -0.02 -0.68 -0.17 0.00 -1.03 0.00 0.00 54.13 52.23 1upc s LEU 221 Cb -0.09 -2.32 0.10 0.00 0.03 0.00 0.00 46.19 43.92 1upc s LEU 221 CO 0.02 -0.51 0.52 -0.69 0.23 0.00 0.00 176.35 175.91 1upc s VAL 222 N 2.00 5.11 -0.12 -1.59 1.01 0.63 -0.59 120.40 126.85 1upc s VAL 222 Ca 0.10 -1.19 -0.11 0.00 0.00 0.00 0.00 61.98 60.78 1upc s VAL 222 Cb -0.17 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 1upc s VAL 222 CO 0.12 -0.83 0.25 -0.69 0.00 0.00 0.00 175.10 173.95 1upc s VAL 223 N 1.91 5.32 0.39 2.92 1.01 -0.34 -0.20 120.40 131.41 1upc s VAL 223 Ca 0.06 0.46 0.08 0.00 0.00 0.00 0.00 61.98 62.57 1upc s VAL 223 Cb -0.26 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1upc s VAL 223 CO 0.05 0.50 0.20 -0.83 0.00 0.00 0.00 175.10 175.03 1upc s GLY 224 N -0.30 2.17 0.37 4.51 0.00 -0.70 -2.52 107.32 110.85 1upc s GLY 224 Ca 0.16 -1.98 0.18 0.00 0.00 0.00 0.00 44.72 43.08 1upc s GLY 224 CO 0.05 -1.82 1.68 0.00 0.00 0.00 0.00 173.10 173.00 1upc h ALA 225 N 1.40 2.14 -0.69 3.20 0.00 -1.90 -0.91 119.26 122.50 1upc h ALA 225 Ca -0.43 0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.76 1upc h ALA 225 Cb 1.25 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1upc h ALA 225 CO 0.65 -0.71 0.46 0.00 0.00 0.00 0.00 179.25 179.66 1upc h ALA 226 N 1.76 2.10 -0.33 0.00 0.00 -1.91 0.13 119.26 121.01 1upc h ALA 226 Ca 0.72 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.64 1upc h ALA 226 Cb 1.78 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 1upc h ALA 226 CO -0.51 -0.27 0.22 0.00 0.00 0.00 0.00 179.25 178.69 1upc h ALA 227 N 1.67 1.82 -0.03 0.00 0.00 -1.39 -2.45 119.26 118.88 1upc h ALA 227 Ca 0.33 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 1upc h ALA 227 Cb 0.74 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1upc h ALA 227 CO -0.10 0.15 -0.16 0.82 0.00 0.00 0.00 179.25 179.96 1upc h ILE 228 N 0.40 1.49 -0.79 0.00 2.04 -0.87 -2.57 117.51 117.21 1upc h ILE 228 Ca 0.13 -1.68 0.17 0.00 1.00 0.00 0.00 64.86 64.48 1upc h ILE 228 Cb 0.03 2.51 -0.05 0.00 -0.74 0.00 0.00 36.82 38.57 1upc h ILE 228 CO -0.03 0.46 0.53 0.03 0.00 0.00 0.00 178.15 179.14 1upc h ARG 229 N -0.44 0.37 0.00 2.37 3.08 -1.32 -0.96 114.38 117.47 1upc h ARG 229 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1upc h ARG 229 Cb 0.83 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1upc h ARG 229 CO 0.03 0.24 0.00 0.45 -1.07 0.00 0.00 179.97 179.62 1upc n SER 230 N -4.47 0.67 -0.02 7.04 2.88 -0.94 -4.64 113.62 114.14 1upc n SER 230 Ca 0.16 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.32 1upc n SER 230 Cb 0.60 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 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 0.56 0.61 0.79 0.46 0.00 -0.36 -4.64 105.19 102.61 1upc n GLY 231 Ca 0.04 -0.76 0.07 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.05 2.43 0.23 4.61 0.00 -0.97 -4.71 120.51 121.06 1upc n ALA 232 Ca 0.00 -1.44 -0.10 0.00 0.00 0.00 0.00 53.44 51.89 1upc n ALA 232 Cb 0.43 -0.56 -0.05 0.00 0.00 0.00 0.00 19.45 19.27 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 2.22 0.07 -1.01 0.00 2.07 -1.88 -1.95 116.25 115.77 1upc h VAL 233 Ca 0.00 -0.54 0.24 0.00 0.82 0.00 0.00 66.70 67.22 1upc h VAL 233 Cb 0.95 0.11 -0.11 0.00 -1.52 0.00 0.00 31.29 30.73 1upc h VAL 233 CO 0.07 0.02 0.62 -0.65 0.02 0.00 0.00 177.57 177.64 1upc h PRO 234 N -1.15 0.54 -0.08 1.57 0.11 -1.91 -1.68 132.00 129.40 1upc h PRO 234 Ca -0.07 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.81 1upc h PRO 234 Cb 0.51 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1upc h PRO 234 CO 0.11 0.36 -0.79 0.00 -0.21 0.00 0.00 178.00 177.46 1upc h ALA 235 N 1.68 0.47 -0.41 -0.75 0.00 -1.86 -2.30 119.26 116.09 1upc h ALA 235 Ca 0.61 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1upc h ALA 235 Cb 1.25 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1upc h ALA 235 CO -0.39 0.75 0.01 0.82 0.00 0.00 0.00 179.25 180.44 1upc h ILE 236 N 0.34 1.26 -0.65 0.00 2.04 -0.84 -2.16 117.51 117.50 1upc h ILE 236 Ca -0.05 -0.99 0.07 0.00 1.00 0.00 0.00 64.86 64.89 1upc h ILE 236 Cb 1.39 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 38.50 1upc h ILE 236 CO 0.14 0.34 0.34 -0.09 0.00 0.00 0.00 178.15 178.88 1upc h ARG 237 N 0.56 0.59 -0.12 2.37 2.43 -1.26 0.05 114.38 119.00 1upc h ARG 237 Ca 0.12 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 1upc h ARG 237 Cb 0.46 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1upc h ARG 237 CO 0.02 0.39 -0.45 0.00 -1.51 0.00 0.00 179.97 178.42 1upc h ALA 238 N 1.36 1.01 -0.40 2.80 0.00 -1.35 -1.37 119.26 121.32 1upc h ALA 238 Ca 0.30 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1upc h ALA 238 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1upc h ALA 238 CO -0.21 0.63 -0.14 1.25 0.00 0.00 0.00 179.25 180.77 1upc h LEU 239 N 0.24 0.81 -0.34 0.00 5.85 -0.75 -2.55 115.31 118.57 1upc h LEU 239 Ca 0.02 -0.38 -0.18 0.00 0.84 0.00 0.00 57.88 58.18 1upc h LEU 239 Cb 0.89 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 1upc h LEU 239 CO 0.07 1.01 -0.51 0.00 -0.34 0.00 0.00 178.44 178.67 1upc h ALA 240 N 0.83 0.52 0.24 1.25 0.00 -0.82 -2.70 119.26 118.57 1upc h ALA 240 Ca 0.09 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1upc h ALA 240 Cb 0.68 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1upc h ALA 240 CO 0.05 0.68 -0.11 0.93 0.00 0.00 0.00 179.25 180.80 1upc h GLU 241 N 0.67 -0.31 -0.42 0.00 5.08 -1.26 0.46 114.58 118.81 1upc h GLU 241 Ca 0.02 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1upc h GLU 241 Cb 1.11 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.36 1upc h GLU 241 CO 0.11 -0.01 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.02 1upc h ARG 242 N -0.61 0.09 -0.59 2.33 2.43 -1.49 -2.53 114.38 114.02 1upc h ARG 242 Ca -0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1upc h ARG 242 Cb 0.44 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1upc h ARG 242 CO 0.05 0.06 0.00 1.28 -1.51 0.00 0.00 179.97 179.86 1upc n LEU 243 N -5.21 3.38 -3.60 3.80 4.77 -1.02 -4.59 117.00 114.53 1upc n LEU 243 Ca 0.03 -1.64 -0.21 0.00 -0.03 0.00 0.00 56.01 54.16 1upc n LEU 243 Cb 0.22 -0.39 0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1upc n LEU 243 CO 0.18 0.82 -0.03 -3.20 -1.33 0.00 0.00 177.39 173.83 1upc n ASN 244 N 1.36 -2.49 -4.48 -1.43 5.15 0.03 -2.07 115.26 111.33 1upc n ASN 244 Ca 0.21 -0.80 -0.34 0.00 -0.60 0.00 0.00 54.58 53.05 1upc n ASN 244 Cb 0.54 -4.28 -0.12 0.00 -0.53 0.00 0.00 39.78 35.40 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 -3.57 3.96 0.49 -1.44 1.01 -0.50 -4.44 121.20 116.73 1upc s ILE 245 Ca 0.12 -0.32 -0.21 0.00 0.00 0.00 0.00 60.65 60.23 1upc s ILE 245 Cb -0.03 -2.76 -0.07 0.00 0.01 0.00 0.00 42.46 39.61 1upc s ILE 245 CO 0.80 0.46 1.13 -2.84 0.00 0.00 0.00 174.94 174.49 1upc s PRO 246 N 0.63 3.62 -0.26 2.79 0.02 -1.26 -4.72 135.00 135.83 1upc s PRO 246 Ca -0.01 1.64 -0.02 0.00 0.02 0.00 0.00 61.00 62.63 1upc s PRO 246 Cb -0.14 -2.22 0.02 0.00 0.02 0.00 0.00 34.50 32.19 1upc s PRO 246 CO 0.02 -0.63 -0.04 0.08 -0.33 0.00 0.00 177.00 176.10 1upc s VAL 247 N -1.69 3.06 -0.06 3.83 1.01 -0.34 -0.33 120.40 125.88 1upc s VAL 247 Ca 0.67 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1upc s VAL 247 Cb -0.25 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1upc s VAL 247 CO 0.29 0.17 -0.11 -0.63 0.00 0.00 0.00 175.10 174.83 1upc s ILE 248 N 1.35 3.37 0.34 2.22 1.01 0.25 -1.78 121.20 127.96 1upc s ILE 248 Ca 0.00 -0.61 0.10 0.00 0.00 0.00 0.00 60.65 60.14 1upc s ILE 248 Cb -0.17 -2.35 -0.06 0.00 0.01 0.00 0.00 42.46 39.89 1upc s ILE 248 CO -0.03 0.59 -0.07 0.42 0.00 0.00 0.00 174.94 175.85 1upc s THR 249 N -0.75 2.36 0.96 2.92 -4.23 -0.85 -1.20 115.64 114.86 1upc s THR 249 Ca 0.12 -2.16 -0.15 0.00 -1.18 0.00 0.00 61.69 58.32 1upc s THR 249 Cb -0.11 -2.67 0.18 0.00 1.34 0.00 0.00 72.50 71.24 1upc s THR 249 CO 0.01 -0.21 1.22 0.42 -0.54 0.00 0.00 174.62 175.52 1upc s THR 250 N -2.58 1.94 0.15 3.99 -4.23 -1.05 -1.85 115.64 112.01 1upc s THR 250 Ca 0.33 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.61 1upc s THR 250 Cb 0.01 -2.86 0.03 0.00 1.34 0.00 0.00 72.50 71.02 1upc s THR 250 CO 0.17 0.00 1.62 1.88 -0.54 0.00 0.00 174.62 177.75 1upc h TYR 251 N -1.65 -0.70 0.00 3.99 0.05 -1.84 -2.85 116.97 113.97 1upc h TYR 251 Ca -0.46 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.36 1upc h TYR 251 Cb 1.28 0.35 0.00 0.00 1.01 0.00 0.00 36.73 39.37 1upc h TYR 251 CO -0.72 -0.34 -0.58 0.44 -1.05 0.00 0.00 178.16 175.91 1upc n ILE 252 N -5.39 0.07 1.95 -2.88 -5.35 -1.26 -3.36 119.36 103.15 1upc n ILE 252 Ca -0.01 -0.07 0.01 0.00 -0.27 0.00 0.00 62.75 62.42 1upc n ILE 252 Cb 0.30 0.20 0.08 0.00 -1.74 0.00 0.00 39.64 38.49 1upc n ILE 252 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1upc n ALA 253 N -1.58 2.49 -1.78 -1.28 0.00 -1.08 -3.52 120.51 113.76 1upc n ALA 253 Ca 0.05 -0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 1upc n ALA 253 Cb 0.36 -1.04 -0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.00 4.09 0.00 0.00 1.02 -1.21 -3.14 119.74 118.49 1upc s LYS 254 Ca 0.04 2.48 0.00 0.00 0.02 0.00 0.00 55.97 58.51 1upc s LYS 254 Cb 0.02 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 1upc s LYS 254 CO 0.03 -0.51 0.00 0.41 -0.92 0.00 0.00 175.35 174.36 1upc n GLY 255 N 0.54 0.66 0.24 -3.33 0.00 -1.25 -3.67 105.19 98.38 1upc n GLY 255 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 0.78 -3.78 1.61 -1.51 -1.80 -3.00 116.25 108.56 1upc h VAL 256 Ca 0.00 -0.66 -0.68 0.00 -1.23 0.00 0.00 66.70 64.13 1upc h VAL 256 Cb 0.00 1.40 -0.20 0.00 -2.13 0.00 0.00 31.29 30.36 1upc h VAL 256 CO 0.00 0.16 -0.74 -0.76 -1.23 0.00 0.00 177.57 175.01 1upc s LEU 257 N -7.70 2.96 1.04 4.19 1.43 -1.26 -4.85 118.68 114.49 1upc s LEU 257 Ca -0.03 -0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 1upc s LEU 257 Cb 0.14 -1.69 0.22 0.00 0.03 0.00 0.00 46.19 44.88 1upc s LEU 257 CO 0.63 0.29 1.08 -2.84 0.23 0.00 0.00 176.35 175.74 1upc s PRO 258 N -1.25 0.04 0.33 1.29 0.02 -1.26 -4.87 135.00 129.30 1upc s PRO 258 Ca 0.15 1.12 -0.29 0.00 0.02 0.00 0.00 61.00 62.00 1upc s PRO 258 Cb -0.11 -1.65 -0.10 0.00 0.02 0.00 0.00 34.50 32.66 1upc s PRO 258 CO 0.05 -3.16 1.28 0.08 -0.33 0.00 0.00 177.00 174.92 1upc s VAL 259 N -2.58 2.82 0.00 3.83 1.01 -1.26 -2.98 120.40 121.25 1upc s VAL 259 Ca 0.67 0.83 0.00 0.00 0.00 0.00 0.00 61.98 63.48 1upc s VAL 259 Cb -0.23 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1upc s VAL 259 CO 0.61 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.52 1upc n GLY 260 N 0.84 2.91 3.69 4.51 0.00 -1.26 -5.03 105.19 110.85 1upc n GLY 260 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1upc n GLY 260 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1upc n HIS 261 N -2.00 2.07 0.24 1.61 -0.00 -1.16 -4.87 115.22 111.11 1upc n HIS 261 Ca 0.00 0.54 0.09 0.00 -0.00 0.00 0.00 57.72 58.35 1upc n HIS 261 Cb 0.00 -2.37 0.58 0.00 -0.00 0.00 0.00 29.99 28.20 1upc n HIS 261 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 1upc h GLU 262 N 2.24 0.00 -0.00 1.57 5.08 -1.95 -2.54 114.58 118.97 1upc h GLU 262 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1upc h GLU 262 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1upc h GLU 262 CO 0.61 0.19 -0.50 1.28 -1.00 0.00 0.00 179.01 179.59 1upc n LEU 263 N -3.86 0.80 -4.57 1.33 4.77 -1.26 -4.74 117.00 109.46 1upc n LEU 263 Ca -0.02 -0.18 -0.26 0.00 -0.03 0.00 0.00 56.01 55.52 1upc n LEU 263 Cb 0.29 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1upc n LEU 263 CO 0.33 0.17 1.42 0.21 -1.33 0.00 0.00 177.39 178.20 1upc s ASN 264 N -2.84 4.86 0.00 -1.43 3.84 -0.96 -1.20 114.94 117.22 1upc s ASN 264 Ca 0.15 -1.32 0.18 0.00 0.21 0.00 0.00 52.86 52.08 1upc s ASN 264 Cb 0.18 -2.58 1.09 0.00 -0.55 0.00 0.00 41.25 39.38 1upc s ASN 264 CO 0.67 -3.20 1.70 -1.22 -2.79 0.00 0.00 177.10 172.26 1upc n TYR 265 N 14.95 0.00 0.00 0.43 4.02 -0.73 -4.93 117.16 130.90 1upc n TYR 265 Ca 0.43 -0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.32 1upc n TYR 265 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 1upc n TYR 265 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1upc n GLY 266 N 0.79 0.12 3.96 2.72 0.00 -1.26 -4.94 105.19 106.57 1upc n GLY 266 Ca 0.14 -1.96 -0.22 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.20 3.83 0.01 4.61 0.00 -1.26 -2.01 121.76 125.74 1upc s ALA 267 Ca 0.00 -1.11 0.07 0.00 0.00 0.00 0.00 51.96 50.92 1upc s ALA 267 Cb 0.00 -2.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 1upc s ALA 267 CO 0.00 -0.26 -0.19 0.08 0.00 0.00 0.00 175.76 175.39 1upc s VAL 268 N -2.45 2.65 -0.08 0.00 1.01 -0.77 -4.89 120.40 115.88 1upc s VAL 268 Ca 0.46 -1.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 1upc s VAL 268 Cb -0.10 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.25 1upc s VAL 268 CO 0.36 0.45 0.27 0.28 0.00 0.00 0.00 175.10 176.46 1upc s THR 269 N -0.81 0.02 -0.48 3.92 -1.32 -1.26 -4.52 115.64 111.19 1upc s THR 269 Ca 0.13 -0.16 0.17 0.00 -1.21 0.00 0.00 61.69 60.62 1upc s THR 269 Cb -0.10 -0.44 0.17 0.00 -1.51 0.00 0.00 72.50 70.62 1upc s THR 269 CO 0.03 -0.09 1.52 0.61 -2.21 0.00 0.00 174.62 174.48 1upc n GLY 270 N 2.48 -0.87 0.07 6.08 0.00 -1.26 -0.86 105.19 110.82 1upc n GLY 270 Ca -0.15 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.12 1upc n GLY 270 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1upc n TYR 271 N -2.04 0.00 -0.20 1.61 4.02 -1.26 -4.16 117.16 115.14 1upc n TYR 271 Ca -0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.84 1upc n TYR 271 Cb 0.07 -0.27 0.12 0.00 -0.02 0.00 0.00 39.34 39.24 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 0.33 0.99 0.30 -0.72 -0.00 -1.38 -2.21 114.93 112.24 1upc h MET 272 Ca 0.00 -0.22 -0.01 0.00 -0.00 0.00 0.00 59.70 59.47 1upc h MET 272 Cb 0.46 -0.14 -0.01 0.00 -0.00 0.00 0.00 31.60 31.91 1upc h MET 272 CO 0.00 0.88 -0.21 -0.44 -0.00 0.00 0.00 176.91 177.13 1upc h ASP 273 N 0.95 -0.55 0.46 -0.10 5.19 -1.81 -1.04 116.42 119.51 1upc h ASP 273 Ca 0.20 0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 56.58 1upc h ASP 273 Cb 0.33 0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 1upc h ASP 273 CO -0.00 -0.33 -0.34 1.23 -3.12 0.00 0.00 179.24 176.67 1upc h GLY 274 N -0.51 0.00 0.48 2.75 0.00 -1.20 0.73 103.07 105.31 1upc h GLY 274 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.12 1upc h GLY 274 CO 0.01 0.00 -0.87 -2.22 0.00 0.00 0.00 176.54 173.46 1upc h ILE 275 N 0.00 1.39 0.00 2.60 2.04 -1.38 -3.27 117.51 118.89 1upc h ILE 275 Ca -0.00 -2.44 0.00 0.00 1.00 0.00 0.00 64.86 63.42 1upc h ILE 275 Cb 0.66 3.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 1upc h ILE 275 CO 0.04 0.66 0.00 0.18 0.00 0.00 0.00 178.15 179.04 1upc n LEU 276 N -4.18 0.81 -3.40 1.44 4.77 -0.40 -4.97 117.00 111.07 1upc n LEU 276 Ca -0.18 0.61 -0.13 0.00 -0.03 0.00 0.00 56.01 56.29 1upc n LEU 276 Cb 0.77 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 41.47 1upc n LEU 276 CO 0.42 -0.32 0.08 -3.20 -1.33 0.00 0.00 177.39 173.04 1upc n ASN 277 N -2.30 -6.44 -3.64 -1.43 5.15 0.25 -4.98 115.26 101.88 1upc n ASN 277 Ca 0.04 -0.52 -0.03 0.00 -0.60 0.00 0.00 54.58 53.47 1upc n ASN 277 Cb 0.37 -3.82 -0.05 0.00 -0.53 0.00 0.00 39.78 35.75 1upc n ASN 277 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1upc s PHE 278 N -3.07 -0.08 -1.38 1.20 5.36 -1.02 -5.05 117.98 113.94 1upc s PHE 278 Ca 0.08 0.16 -0.15 0.00 -0.96 0.00 0.00 56.93 56.05 1upc s PHE 278 Cb -0.03 0.49 0.06 0.00 -0.34 0.00 0.00 43.02 43.20 1upc s PHE 278 CO 0.81 -0.07 1.98 -0.35 -1.46 0.00 0.00 175.22 176.14 1upc n PRO 279 N 0.79 3.05 0.03 10.12 -0.04 -1.26 -4.41 135.00 143.28 1upc n PRO 279 Ca -0.03 -2.97 -0.19 0.00 -0.04 0.00 0.00 63.50 60.26 1upc n PRO 279 Cb 0.58 -3.34 -0.13 0.00 -0.04 0.00 0.00 33.50 30.58 1upc n PRO 279 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1upc h ALA 280 N 6.65 0.00 -0.27 0.55 0.00 -1.90 -2.28 119.26 122.02 1upc h ALA 280 Ca 0.50 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1upc h ALA 280 Cb 0.74 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1upc h ALA 280 CO 1.68 0.42 0.09 -0.07 0.00 0.00 0.00 179.25 181.37 1upc h LEU 281 N -0.13 0.38 -0.35 0.00 3.38 -1.92 -0.79 115.31 115.87 1upc h LEU 281 Ca -0.12 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.72 1upc h LEU 281 Cb 1.53 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 42.13 1upc h LEU 281 CO 0.15 0.46 0.08 1.56 0.09 0.00 0.00 178.44 180.78 1upc h GLN 282 N 0.27 0.20 -0.92 1.13 1.08 -1.92 -0.75 115.11 114.19 1upc h GLN 282 Ca 0.09 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 1upc h GLN 282 Cb 0.21 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.55 1upc h GLN 282 CO -0.00 0.13 0.54 1.15 -0.95 0.00 0.00 178.83 179.70 1upc h THR 283 N 0.20 1.26 -0.42 -0.54 2.02 -1.25 0.23 112.91 114.41 1upc h THR 283 Ca 0.16 -0.58 -0.14 0.00 0.77 0.00 0.00 66.41 66.62 1upc h THR 283 Cb 0.18 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 1upc h THR 283 CO -0.21 0.28 -0.29 -0.03 0.37 0.00 0.00 175.52 175.64 1upc h MET 284 N 1.28 0.90 0.00 6.66 1.85 -0.53 -3.40 114.93 121.69 1upc h MET 284 Ca 0.33 -0.42 0.00 0.00 -0.61 0.00 0.00 59.70 59.00 1upc h MET 284 Cb -0.03 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 31.98 1upc h MET 284 CO -0.06 1.07 0.00 1.19 -0.40 0.00 0.00 176.91 178.71 1upc n PHE 285 N -4.09 0.00 -0.08 1.39 3.72 -0.34 -4.82 117.46 113.24 1upc n PHE 285 Ca -0.01 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.29 1upc n PHE 285 Cb 0.49 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.99 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 0.34 -0.00 4.37 0.00 -0.62 -2.73 119.26 120.61 1upc h ALA 286 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1upc h ALA 286 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1upc h ALA 286 CO 0.00 -0.05 -0.14 -0.35 0.00 0.00 0.00 179.25 178.71 1upc n PRO 287 N -4.75 0.30 -2.07 0.00 -0.04 -1.26 -1.49 135.00 125.69 1upc n PRO 287 Ca -0.03 -0.09 -0.41 0.00 -0.04 0.00 0.00 63.50 62.93 1upc n PRO 287 Cb 0.15 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.09 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 -2.76 2.82 -0.39 0.52 1.01 -1.03 -4.68 120.40 115.90 1upc s VAL 288 Ca 0.21 0.68 0.03 0.00 0.00 0.00 0.00 61.98 62.90 1upc s VAL 288 Cb 0.19 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 33.15 1upc s VAL 288 CO 0.54 0.10 0.53 -0.90 0.00 0.00 0.00 175.10 175.37 1upc n ASP 289 N 2.49 1.10 -3.66 3.32 5.75 -0.76 -4.64 116.55 120.15 1upc n ASP 289 Ca 0.07 -1.05 -0.09 0.00 -0.01 0.00 0.00 54.79 53.71 1upc n ASP 289 Cb 0.41 0.17 -0.10 0.00 -1.03 0.00 0.00 41.12 40.57 1upc n ASP 289 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1upc s LEU 290 N -0.61 -0.56 -0.21 -2.12 2.96 -1.24 -1.88 118.68 115.03 1upc s LEU 290 Ca 0.04 0.98 -0.02 0.00 -0.22 0.00 0.00 54.13 54.90 1upc s LEU 290 Cb 0.03 1.35 0.00 0.00 0.50 0.00 0.00 46.19 48.08 1upc s LEU 290 CO 0.06 -0.23 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.07 1upc s VAL 291 N 2.43 2.90 -0.39 1.68 1.01 -0.52 -0.91 120.40 126.59 1upc s VAL 291 Ca -0.03 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 1upc s VAL 291 Cb -0.11 -2.30 0.07 0.00 0.00 0.00 0.00 36.38 34.03 1upc s VAL 291 CO -0.13 0.45 0.21 -0.76 0.00 0.00 0.00 175.10 174.87 1upc s LEU 292 N 1.41 4.92 -0.75 3.92 1.02 -0.67 -0.50 118.68 128.02 1upc s LEU 292 Ca 0.05 -1.41 -0.21 0.00 0.02 0.00 0.00 54.13 52.58 1upc s LEU 292 Cb -0.14 -1.95 0.09 0.00 0.02 0.00 0.00 46.19 44.21 1upc s LEU 292 CO -0.07 -0.47 1.01 0.42 0.02 0.00 0.00 176.35 177.26 1upc s THR 293 N 1.41 4.48 -0.33 5.49 -4.23 0.10 -0.27 115.64 122.30 1upc s THR 293 Ca 0.02 -0.81 -0.25 0.00 -1.18 0.00 0.00 61.69 59.47 1upc s THR 293 Cb -0.22 -4.71 0.01 0.00 1.34 0.00 0.00 72.50 68.92 1upc s THR 293 CO 0.02 -1.46 0.87 -0.69 -0.54 0.00 0.00 174.62 172.83 1upc s VAL 294 N 3.54 4.69 -0.93 2.29 1.01 0.72 -1.89 120.40 129.83 1upc s VAL 294 Ca 0.25 1.28 -0.02 0.00 0.00 0.00 0.00 61.98 63.48 1upc s VAL 294 Cb -0.13 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1upc s VAL 294 CO 0.03 -0.37 0.79 0.61 0.00 0.00 0.00 175.10 176.17 1upc n GLY 295 N 4.19 -0.49 3.79 4.51 0.00 0.61 -1.72 105.19 116.08 1upc n GLY 295 Ca 0.06 0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 1upc n GLY 295 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1upc s TYR 296 N -3.31 3.56 -0.27 1.61 5.04 -0.88 -3.85 117.35 119.24 1upc s TYR 296 Ca 0.18 1.73 0.00 0.00 -2.44 0.00 0.00 57.07 56.54 1upc s TYR 296 Cb -0.02 -2.96 0.16 0.00 0.35 0.00 0.00 41.96 39.48 1upc s TYR 296 CO 0.61 -0.01 0.43 0.34 -1.34 0.00 0.00 175.55 175.57 1upc s ASP 297 N -1.66 -0.02 0.53 4.32 -1.08 -1.26 -4.85 116.67 112.65 1upc s ASP 297 Ca 0.53 0.03 0.40 0.00 -0.52 0.00 0.00 52.55 52.99 1upc s ASP 297 Cb -0.18 1.30 1.58 0.00 -1.46 0.00 0.00 42.92 44.15 1upc s ASP 297 CO 0.24 -0.32 1.69 0.22 0.52 0.00 0.00 175.17 177.52 1upc h TYR 298 N 8.14 0.11 0.00 -5.34 3.20 -1.97 -0.96 116.97 120.16 1upc h TYR 298 Ca -0.14 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.72 1upc h TYR 298 Cb 1.14 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 1upc h TYR 298 CO 0.19 -0.03 -0.06 0.00 -1.64 0.00 0.00 178.16 176.62 1upc h ALA 299 N 1.30 1.72 0.00 1.82 0.00 -1.94 -2.03 119.26 120.12 1upc h ALA 299 Ca 0.74 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.60 1upc h ALA 299 Cb 2.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.62 1upc h ALA 299 CO -0.08 0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.64 1upc n GLU 300 N -4.22 0.03 -1.16 0.00 1.02 -0.36 -3.43 120.64 112.53 1upc n GLU 300 Ca -0.03 0.26 -0.05 0.00 -0.02 0.00 0.00 57.16 57.32 1upc n GLU 300 Cb 0.15 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 1upc n GLU 300 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1upc n ASP 301 N -1.47 -4.19 -4.47 1.62 2.03 -0.76 -4.70 116.55 104.60 1upc n ASP 301 Ca 0.04 0.14 -0.43 0.00 0.52 0.00 0.00 54.79 55.05 1upc n ASP 301 Cb 0.14 -2.18 -0.03 0.00 -0.72 0.00 0.00 41.12 38.33 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 -1.24 4.31 0.23 -2.67 2.96 -1.26 -4.73 118.68 116.27 1upc s LEU 302 Ca 0.00 -1.16 0.01 0.00 -0.22 0.00 0.00 54.13 52.76 1upc s LEU 302 Cb 0.00 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 1upc s LEU 302 CO 0.00 -1.42 0.41 -0.13 -1.32 0.00 0.00 176.35 173.88 1upc s ARG 303 N 4.06 3.49 0.32 1.98 0.52 -1.26 -4.82 118.95 123.24 1upc s ARG 303 Ca 0.27 -0.44 0.08 0.00 -0.52 0.00 0.00 55.73 55.13 1upc s ARG 303 Cb -0.12 -2.83 0.82 0.00 0.52 0.00 0.00 34.95 33.34 1upc s ARG 303 CO 0.06 0.37 1.77 -1.35 0.02 0.00 0.00 175.30 176.16 1upc h PRO 304 N 1.63 0.66 0.00 3.54 0.11 -1.96 -1.51 132.00 134.46 1upc h PRO 304 Ca -0.49 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 1upc h PRO 304 Cb 1.20 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1upc h PRO 304 CO 0.65 0.44 -0.00 0.66 -0.21 0.00 0.00 178.00 179.54 1upc h SER 305 N 0.68 0.00 1.82 -2.05 4.64 -1.95 -1.70 113.55 114.99 1upc h SER 305 Ca 0.59 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.87 1upc h SER 305 Cb 1.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1upc h SER 305 CO -0.38 0.00 -0.17 0.24 -0.87 0.00 0.00 176.83 175.65 1upc h MET 306 N 0.00 0.00 -0.01 4.77 2.86 -1.63 -3.21 114.93 117.71 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 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1upc h MET 306 CO 0.00 0.17 -0.43 -2.67 1.06 0.00 0.00 176.91 175.03 1upc n TRP 307 N -3.14 0.00 -1.57 -0.22 2.14 -0.67 -4.75 117.44 109.23 1upc n TRP 307 Ca 0.03 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.19 1upc n TRP 307 Cb 0.59 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 31.08 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 -0.19 3.08 -4.31 -2.67 6.02 -1.02 -4.83 117.38 113.46 1upc n GLN 308 Ca 0.07 -2.44 -0.23 0.00 -0.01 0.00 0.00 57.00 54.40 1upc n GLN 308 Cb 0.39 -3.11 -0.17 0.00 1.02 0.00 0.00 30.24 28.37 1upc n GLN 308 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1upc s LYS 309 N 2.92 1.29 3.88 -1.09 -0.14 -1.26 -5.03 119.74 120.31 1upc s LYS 309 Ca 0.55 -0.25 0.00 0.00 -1.36 0.00 0.00 55.97 54.90 1upc s LYS 309 Cb 0.15 -1.19 0.00 0.00 -1.68 0.00 0.00 37.83 35.11 1upc s LYS 309 CO -0.07 -0.06 0.00 0.41 -0.76 0.00 0.00 175.35 174.86 1upc n GLY 310 N 4.09 0.45 3.75 -3.33 0.00 -1.26 -3.64 105.19 105.25 1upc n GLY 310 Ca -0.22 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 1upc n GLY 310 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1upc s ILE 311 N 0.00 3.02 0.23 -0.61 -4.36 -0.56 -4.95 121.20 113.99 1upc s ILE 311 Ca 0.00 0.40 -0.31 0.00 -0.26 0.00 0.00 60.65 60.48 1upc s ILE 311 Cb 0.00 -2.84 -0.14 0.00 1.25 0.00 0.00 42.46 40.73 1upc s ILE 311 CO 0.00 -0.37 1.32 -0.62 0.24 0.00 0.00 174.94 175.51 1upc n GLU 312 N -3.16 1.81 -4.78 0.37 -0.58 -1.26 -4.93 120.64 108.11 1upc n GLU 312 Ca 0.10 0.64 -0.32 0.00 -0.42 0.00 0.00 57.16 57.17 1upc n GLU 312 Cb 0.52 -2.24 -0.13 0.00 -0.57 0.00 0.00 31.44 29.02 1upc n GLU 312 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1upc s LYS 313 N -0.57 2.29 0.38 3.49 1.02 -1.26 -4.66 119.74 120.44 1upc s LYS 313 Ca 0.68 -0.84 -0.10 0.00 0.02 0.00 0.00 55.97 55.73 1upc s LYS 313 Cb -0.69 -2.28 -0.06 0.00 -0.52 0.00 0.00 37.83 34.27 1upc s LYS 313 CO 0.52 0.58 0.74 0.15 -0.92 0.00 0.00 175.35 176.42 1upc s LYS 314 N -1.09 3.77 0.04 1.68 -0.14 -0.79 -4.97 119.74 118.23 1upc s LYS 314 Ca 0.13 0.42 0.04 0.00 -1.36 0.00 0.00 55.97 55.21 1upc s LYS 314 Cb -0.11 -2.43 -0.02 0.00 -1.68 0.00 0.00 37.83 33.60 1upc s LYS 314 CO 0.03 0.01 -0.13 0.95 -0.76 0.00 0.00 175.35 175.45 1upc s THR 315 N -2.31 0.99 -0.11 2.17 -4.23 -1.26 -1.44 115.64 109.45 1upc s THR 315 Ca 0.50 -0.95 0.01 0.00 -1.18 0.00 0.00 61.69 60.08 1upc s THR 315 Cb -0.10 -0.91 0.02 0.00 1.34 0.00 0.00 72.50 72.85 1upc s THR 315 CO 0.30 -0.03 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.55 1upc s VAL 316 N -0.85 1.24 -0.20 2.29 1.01 0.34 -2.25 120.40 121.97 1upc s VAL 316 Ca 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 1upc s VAL 316 Cb -0.08 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 1upc s VAL 316 CO 0.01 0.40 0.23 -0.60 0.00 0.00 0.00 175.10 175.13 1upc s ARG 317 N 1.31 4.17 -0.11 2.72 3.52 -0.61 0.02 118.95 129.96 1upc s ARG 317 Ca -0.01 -0.08 0.02 0.00 -0.13 0.00 0.00 55.73 55.53 1upc s ARG 317 Cb -0.14 -3.47 0.01 0.00 -1.56 0.00 0.00 34.95 29.79 1upc s ARG 317 CO -0.05 0.16 -0.19 0.42 -0.81 0.00 0.00 175.30 174.83 1upc s ILE 318 N 0.74 1.75 -0.18 4.11 1.09 -0.79 -0.50 121.20 127.42 1upc s ILE 318 Ca 0.12 -0.81 -0.28 0.00 -1.10 0.00 0.00 60.65 58.59 1upc s ILE 318 Cb -0.13 -1.56 0.08 0.00 -1.06 0.00 0.00 42.46 39.79 1upc s ILE 318 CO 0.03 0.49 0.77 -0.55 -0.10 0.00 0.00 174.94 175.58 1upc s SER 319 N 0.79 -0.65 0.00 3.58 0.15 -0.95 -0.28 113.70 116.34 1upc s SER 319 Ca -0.10 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.58 1upc s SER 319 Cb -0.16 0.97 0.00 0.00 -1.71 0.00 0.00 66.02 65.12 1upc s SER 319 CO 0.01 -0.37 0.82 -0.81 1.20 0.00 0.00 173.24 174.08 1upc n PRO 320 N 1.83 0.92 -4.07 5.44 -0.04 -0.99 -1.89 135.00 136.21 1upc n PRO 320 Ca -0.15 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.21 1upc n PRO 320 Cb 0.56 -1.14 -0.11 0.00 -0.04 0.00 0.00 33.50 32.78 1upc n PRO 320 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1upc s THR 321 N -0.17 0.33 0.39 0.52 -4.23 -1.26 -1.05 115.64 110.16 1upc s THR 321 Ca 0.00 -1.43 -0.25 0.00 -1.18 0.00 0.00 61.69 58.83 1upc s THR 321 Cb 0.00 -1.01 -0.09 0.00 1.34 0.00 0.00 72.50 72.75 1upc s THR 321 CO 0.00 -0.72 1.11 -0.69 -0.54 0.00 0.00 174.62 173.79 1upc s VAL 322 N -2.67 3.41 -0.24 2.29 1.01 -1.26 -4.82 120.40 118.11 1upc s VAL 322 Ca -0.02 1.17 -0.28 0.00 0.00 0.00 0.00 61.98 62.84 1upc s VAL 322 Cb -0.01 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1upc s VAL 322 CO -0.04 0.09 1.97 0.21 0.00 0.00 0.00 175.10 177.33 1upc s ASN 323 N -1.27 5.79 0.05 3.32 2.47 -1.26 -4.87 114.94 119.18 1upc s ASN 323 Ca 0.56 1.69 0.27 0.00 0.42 0.00 0.00 52.86 55.80 1upc s ASN 323 Cb -0.27 -2.52 0.95 0.00 -1.45 0.00 0.00 41.25 37.96 1upc s ASN 323 CO 0.35 -1.72 1.76 -0.81 -3.72 0.00 0.00 177.10 172.95 1upc n PRO 324 N 8.43 0.08 -2.90 0.43 -0.04 -1.26 -4.38 135.00 135.36 1upc n PRO 324 Ca 0.25 0.05 -0.18 0.00 -0.04 0.00 0.00 63.50 63.58 1upc n PRO 324 Cb 0.45 -1.58 -0.01 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 -1.71 1.08 0.30 0.52 -5.35 -1.26 -4.91 119.36 108.02 1upc n ILE 325 Ca 0.06 -4.35 0.19 0.00 -0.27 0.00 0.00 62.75 58.38 1upc n ILE 325 Cb 0.37 -0.31 0.94 0.00 -1.74 0.00 0.00 39.64 38.89 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 2.94 0.00 0.00 6.28 0.13 -1.76 -1.45 132.00 138.13 1upc h PRO 326 Ca 0.07 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.17 1upc h PRO 326 Cb 0.94 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 1upc h PRO 326 CO 0.60 0.00 -0.15 -0.09 -0.23 0.00 0.00 178.00 178.13 1upc h ARG 327 N 0.00 0.00 0.00 0.86 2.43 -1.97 -3.35 114.38 112.34 1upc h ARG 327 Ca 0.00 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 1upc h ARG 327 Cb 0.13 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1upc h ARG 327 CO 0.00 0.15 -1.60 0.28 -1.51 0.00 0.00 179.97 177.29 1upc n VAL 328 N -4.10 0.61 -3.72 0.20 0.31 -0.71 -4.95 118.33 105.96 1upc n VAL 328 Ca -0.02 -0.33 -0.28 0.00 -0.01 0.00 0.00 64.34 63.70 1upc n VAL 328 Cb 0.23 -0.80 -0.16 0.00 -0.91 0.00 0.00 33.84 32.19 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 -2.21 0.98 -0.85 3.52 5.04 -0.63 -4.83 117.35 118.38 1upc s TYR 329 Ca -0.07 -0.86 0.00 0.00 -2.44 0.00 0.00 57.07 53.70 1upc s TYR 329 Cb 0.03 -1.03 0.21 0.00 0.35 0.00 0.00 41.96 41.52 1upc s TYR 329 CO 0.33 -0.62 0.73 0.54 -1.34 0.00 0.00 175.55 175.19 1upc n ARG 330 N 5.06 2.48 -1.19 4.97 5.12 -1.26 -4.24 116.66 127.60 1upc n ARG 330 Ca -0.08 -4.50 -0.35 0.00 -1.93 0.00 0.00 57.85 50.99 1upc n ARG 330 Cb 0.47 -2.38 0.10 0.00 -1.16 0.00 0.00 32.46 29.50 1upc n ARG 330 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1upc n PRO 331 N 2.11 0.28 0.08 5.56 -0.04 -1.26 -4.88 135.00 136.85 1upc n PRO 331 Ca 0.22 0.16 -0.08 0.00 -0.04 0.00 0.00 63.50 63.76 1upc n PRO 331 Cb 0.36 -2.23 0.03 0.00 -0.04 0.00 0.00 33.50 31.62 1upc n PRO 331 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1upc h ASP 332 N -0.66 0.26 -3.43 3.54 3.32 -1.84 -3.42 116.42 114.20 1upc h ASP 332 Ca -0.46 -0.20 -0.44 0.00 0.02 0.00 0.00 57.03 55.95 1upc h ASP 332 Cb 1.32 -0.08 -0.34 0.00 0.22 0.00 0.00 39.33 40.44 1upc h ASP 332 CO 0.45 0.96 -0.78 -0.69 -1.72 0.00 0.00 179.24 177.45 1upc s VAL 333 N -3.37 0.69 -0.30 -1.35 1.01 -1.05 -5.03 120.40 111.00 1upc s VAL 333 Ca -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 1upc s VAL 333 Cb 0.11 -0.69 0.05 0.00 0.00 0.00 0.00 36.38 35.84 1upc s VAL 333 CO 0.82 0.26 0.01 -0.62 0.00 0.00 0.00 175.10 175.57 1upc s ASP 334 N 0.95 4.92 -0.50 3.32 -1.08 -1.26 -1.58 116.67 121.44 1upc s ASP 334 Ca -0.10 -1.23 -0.06 0.00 -0.52 0.00 0.00 52.55 50.64 1upc s ASP 334 Cb -0.14 -1.73 0.13 0.00 -1.46 0.00 0.00 42.92 39.72 1upc s ASP 334 CO 0.00 -0.26 0.33 -0.69 0.52 0.00 0.00 175.17 175.07 1upc s VAL 335 N 1.27 3.84 -0.61 1.11 1.01 0.35 -4.93 120.40 122.44 1upc s VAL 335 Ca -0.05 -2.15 -0.20 0.00 0.00 0.00 0.00 61.98 59.58 1upc s VAL 335 Cb -0.20 -3.55 0.09 0.00 0.00 0.00 0.00 36.38 32.73 1upc s VAL 335 CO -0.01 -0.78 0.77 -0.69 0.00 0.00 0.00 175.10 174.39 1upc s VAL 336 N 0.94 4.70 0.20 2.92 1.01 -1.26 -2.24 120.40 126.66 1upc s VAL 336 Ca 0.09 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 61.04 1upc s VAL 336 Cb -0.23 -4.53 0.08 0.00 0.00 0.00 0.00 36.38 31.69 1upc s VAL 336 CO -0.03 -1.20 1.03 0.28 0.00 0.00 0.00 175.10 175.18 1upc s THR 337 N 3.02 0.00 0.15 3.92 -1.32 -0.79 -0.96 115.64 119.66 1upc s THR 337 Ca 0.14 -0.60 -0.30 0.00 -1.21 0.00 0.00 61.69 59.72 1upc s THR 337 Cb -0.22 -2.97 -0.07 0.00 -1.51 0.00 0.00 72.50 67.73 1upc s THR 337 CO 0.07 0.00 1.12 -0.62 -2.21 0.00 0.00 174.62 172.99 1upc s ASP 338 N -3.43 7.21 0.18 8.08 2.15 -1.26 -2.33 116.67 127.26 1upc s ASP 338 Ca 0.22 2.07 -0.12 0.00 0.43 0.00 0.00 52.55 55.15 1upc s ASP 338 Cb -0.03 -2.60 0.09 0.00 -0.30 0.00 0.00 42.92 40.08 1upc s ASP 338 CO 0.06 -0.29 1.79 0.58 -0.17 0.00 0.00 175.17 177.14 1upc h VAL 339 N 3.94 1.19 -0.38 1.11 2.07 -1.92 -0.72 116.25 121.54 1upc h VAL 339 Ca -0.44 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1upc h VAL 339 Cb 1.21 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1upc h VAL 339 CO 0.74 0.21 0.20 0.25 0.02 0.00 0.00 177.57 178.99 1upc h LEU 340 N 0.81 0.48 -1.57 2.57 5.85 -1.90 -1.21 115.31 120.33 1upc h LEU 340 Ca 0.21 -0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.94 1upc h LEU 340 Cb 0.04 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1upc h LEU 340 CO -0.03 0.44 0.45 0.00 -0.34 0.00 0.00 178.44 178.95 1upc h ALA 341 N 1.06 2.00 0.06 1.25 0.00 -1.79 -1.40 119.26 120.44 1upc h ALA 341 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1upc h ALA 341 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1upc h ALA 341 CO -0.02 -0.15 -0.03 0.35 0.00 0.00 0.00 179.25 179.40 1upc h PHE 342 N 0.46 -0.07 -0.64 0.00 3.57 -0.19 -2.44 116.94 117.64 1upc h PHE 342 Ca 0.31 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.90 1upc h PHE 342 Cb 0.60 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 1upc h PHE 342 CO -0.00 0.38 0.29 0.28 -2.23 0.00 0.00 178.31 177.03 1upc h VAL 343 N -0.56 0.83 -0.66 1.41 2.07 -1.00 0.26 116.25 118.60 1upc h VAL 343 Ca -0.01 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 1upc h VAL 343 Cb 0.49 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1upc h VAL 343 CO 0.01 0.09 0.14 -0.33 0.02 0.00 0.00 177.57 177.51 1upc h GLU 344 N 0.51 1.08 -0.22 1.57 5.08 -1.28 -0.75 114.58 120.56 1upc h GLU 344 Ca 0.31 -0.27 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 1upc h GLU 344 Cb 0.33 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1upc h GLU 344 CO -0.27 0.97 -0.43 1.25 -1.00 0.00 0.00 179.01 179.53 1upc h HIS 345 N 1.00 0.65 -0.58 4.33 2.76 -0.95 -2.99 115.15 119.37 1upc h HIS 345 Ca 0.21 -0.19 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 1upc h HIS 345 Cb 0.39 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.19 1upc h HIS 345 CO 0.03 0.88 0.12 0.35 -1.30 0.00 0.00 177.93 178.01 1upc h PHE 346 N 0.44 0.94 0.42 5.26 3.57 -0.17 -2.16 116.94 125.24 1upc h PHE 346 Ca 0.03 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 1upc h PHE 346 Cb 0.94 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.41 1upc h PHE 346 CO 0.04 0.79 -0.21 0.93 -2.23 0.00 0.00 178.31 177.63 1upc h GLU 347 N 0.86 -0.55 -0.31 1.11 4.39 -1.03 -1.24 114.58 117.81 1upc h GLU 347 Ca 0.18 0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.99 1upc h GLU 347 Cb 0.34 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 29.04 1upc h GLU 347 CO 0.00 -0.37 -0.16 1.15 -1.16 0.00 0.00 179.01 178.47 1upc h THR 348 N -0.57 0.51 0.00 1.13 2.02 -1.40 -0.32 112.91 114.28 1upc h THR 348 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1upc h THR 348 Cb 0.44 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1upc h THR 348 CO 0.09 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.98 1upc h ALA 349 N 1.11 1.00 -0.07 6.16 0.00 -1.21 -2.71 119.26 123.54 1upc h ALA 349 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1upc h ALA 349 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1upc h ALA 349 CO -0.39 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.11 1upc n THR 350 N -2.44 1.87 -0.12 0.00 -2.24 -0.48 -4.85 114.28 106.02 1upc n THR 350 Ca 0.02 -2.03 -0.01 0.00 -2.27 0.00 0.00 64.05 59.76 1upc n THR 350 Cb 0.26 -0.15 0.25 0.00 -2.10 0.00 0.00 70.33 68.58 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 0.47 1.36 -1.07 6.98 0.00 -0.74 -2.80 119.26 123.46 1upc h ALA 351 Ca 0.00 -0.14 -0.66 0.00 0.00 0.00 0.00 54.91 54.11 1upc h ALA 351 Cb 1.05 -0.23 -0.34 0.00 0.00 0.00 0.00 17.79 18.27 1upc h ALA 351 CO 0.05 0.49 0.22 -1.13 0.00 0.00 0.00 179.25 178.87 1upc n SER 352 N -4.34 6.39 -4.74 0.00 3.41 -1.26 -4.98 113.62 108.10 1upc n SER 352 Ca 0.05 -3.78 -0.31 0.00 -0.26 0.00 0.00 58.87 54.57 1upc n SER 352 Cb 0.15 -0.76 -0.07 0.00 -0.26 0.00 0.00 64.21 63.28 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 -3.79 3.13 0.15 7.33 0.40 -1.06 -5.10 117.98 119.04 1upc s PHE 353 Ca 0.54 0.06 -0.27 0.00 -0.60 0.00 0.00 56.93 56.67 1upc s PHE 353 Cb 0.44 -1.62 -0.07 0.00 0.51 0.00 0.00 43.02 42.28 1upc s PHE 353 CO -0.17 0.51 0.83 0.20 0.70 0.00 0.00 175.22 177.29 1upc s GLY 354 N -2.20 2.95 0.56 4.36 0.00 -1.26 -5.01 107.32 106.72 1upc s GLY 354 Ca 0.27 0.43 -0.19 0.00 0.00 0.00 0.00 44.72 45.22 1upc s GLY 354 CO 0.19 1.07 0.75 0.00 0.00 0.00 0.00 173.10 175.11 1upc n ALA 355 N 2.00 -0.49 -2.47 3.20 0.00 -1.26 -4.99 120.51 116.49 1upc n ALA 355 Ca -0.03 0.02 -0.21 0.00 0.00 0.00 0.00 53.44 53.22 1upc n ALA 355 Cb 0.49 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 17.94 1upc n ALA 355 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1upc s LYS 356 N -2.33 2.73 -0.26 0.00 -0.14 -0.88 -5.00 119.74 113.86 1upc s LYS 356 Ca 0.71 -1.30 -0.22 0.00 -1.36 0.00 0.00 55.97 53.79 1upc s LYS 356 Cb -0.45 -2.48 -0.01 0.00 -1.68 0.00 0.00 37.83 33.20 1upc s LYS 356 CO 0.52 0.07 0.72 -0.65 -0.76 0.00 0.00 175.35 175.25 1upc s GLN 357 N -4.02 4.09 0.08 1.68 -1.52 -1.26 -4.73 119.66 113.99 1upc s GLN 357 Ca 0.42 0.67 -0.26 0.00 -1.95 0.00 0.00 55.36 54.24 1upc s GLN 357 Cb -0.06 -3.67 -0.06 0.00 -0.22 0.00 0.00 33.01 29.00 1upc s GLN 357 CO 0.27 -0.51 0.79 -0.98 -0.25 0.00 0.00 175.29 174.61 1upc s ARG 358 N 2.70 4.53 0.92 2.91 1.70 -1.26 -4.61 118.95 125.84 1upc s ARG 358 Ca 0.30 1.13 -0.11 0.00 -0.47 0.00 0.00 55.73 56.57 1upc s ARG 358 Cb -0.15 -3.34 0.14 0.00 -0.57 0.00 0.00 34.95 31.03 1upc s ARG 358 CO 0.09 0.35 1.09 -3.38 -1.08 0.00 0.00 175.30 172.37 1upc s HIS 359 N -0.34 2.12 -0.24 5.89 -3.43 -1.26 -4.99 115.29 113.05 1upc s HIS 359 Ca 0.39 1.37 -0.09 0.00 -0.80 0.00 0.00 55.06 55.93 1upc s HIS 359 Cb -0.21 -3.17 -0.04 0.00 -1.43 0.00 0.00 32.58 27.73 1upc s HIS 359 CO 0.24 -2.57 0.11 0.34 -2.00 0.00 0.00 174.74 170.87 1upc s ASP 360 N -3.19 5.69 -0.08 7.38 2.15 -1.26 -4.96 116.67 122.39 1upc s ASP 360 Ca 0.64 -0.01 0.12 0.00 0.43 0.00 0.00 52.55 53.73 1upc s ASP 360 Cb -0.19 -2.02 0.19 0.00 -0.30 0.00 0.00 42.92 40.59 1upc s ASP 360 CO 0.58 0.04 1.08 2.30 -0.17 0.00 0.00 175.17 179.01 1upc n ILE 361 N 4.42 1.27 -0.08 4.11 -5.35 -1.26 -4.84 119.36 117.63 1upc n ILE 361 Ca -0.16 -1.51 0.06 0.00 -0.27 0.00 0.00 62.75 60.87 1upc n ILE 361 Cb 0.52 0.04 0.41 0.00 -1.74 0.00 0.00 39.64 38.87 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 0.00 0.59 -0.95 6.28 4.39 -1.97 0.10 114.58 123.02 1upc h GLU 362 Ca 0.00 -0.04 0.13 0.00 0.34 0.00 0.00 59.36 59.79 1upc h GLU 362 Cb 1.08 -0.13 -0.09 0.00 -0.10 0.00 0.00 28.75 29.51 1upc h GLU 362 CO 0.00 0.39 0.57 -1.35 -1.16 0.00 0.00 179.01 177.46 1upc h PRO 363 N 0.61 0.85 -0.03 2.33 0.11 -2.00 0.16 132.00 134.02 1upc h PRO 363 Ca 0.22 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 1upc h PRO 363 Cb 0.13 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1upc h PRO 363 CO -0.06 0.56 -0.12 1.25 -0.21 0.00 0.00 178.00 179.42 1upc h LEU 364 N 0.87 0.16 -1.25 2.35 5.85 -1.53 -2.54 115.31 119.22 1upc h LEU 364 Ca 0.49 -0.62 0.12 0.00 0.84 0.00 0.00 57.88 58.71 1upc h LEU 364 Cb 0.55 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.47 1upc h LEU 364 CO -0.29 0.76 0.57 0.03 -0.34 0.00 0.00 178.44 179.16 1upc h ARG 365 N -0.42 0.76 0.14 1.25 3.08 -0.58 -1.53 114.38 117.07 1upc h ARG 365 Ca -0.00 -0.05 -0.28 0.00 0.07 0.00 0.00 59.98 59.72 1upc h ARG 365 Cb 0.74 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.63 1upc h ARG 365 CO 0.02 0.50 -1.27 0.00 -1.07 0.00 0.00 179.97 178.16 1upc h ALA 366 N 1.58 0.07 -0.67 0.04 0.00 -1.03 -2.42 119.26 116.83 1upc h ALA 366 Ca 0.43 -0.87 0.03 0.00 0.00 0.00 0.00 54.91 54.49 1upc h ALA 366 Cb 0.57 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1upc h ALA 366 CO -0.19 0.92 0.44 -0.09 0.00 0.00 0.00 179.25 180.33 1upc h ARG 367 N 0.09 0.80 0.06 0.00 9.65 -1.09 -1.11 114.38 122.79 1upc h ARG 367 Ca -0.15 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.68 1upc h ARG 367 Cb 1.99 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 30.39 1upc h ARG 367 CO 0.21 0.53 -0.03 0.82 2.80 0.00 0.00 179.97 184.30 1upc h ILE 368 N 0.83 1.24 -0.28 1.20 2.04 -1.09 -2.88 117.51 118.56 1upc h ILE 368 Ca 0.26 -1.19 0.03 0.00 1.00 0.00 0.00 64.86 64.96 1upc h ILE 368 Cb 0.02 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1upc h ILE 368 CO -0.07 0.29 0.19 0.00 0.00 0.00 0.00 178.15 178.56 1upc h ALA 369 N 0.23 1.94 0.21 1.87 0.00 -1.39 -1.89 119.26 120.22 1upc h ALA 369 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1upc h ALA 369 Cb 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1upc h ALA 369 CO 0.01 0.02 -0.10 1.49 0.00 0.00 0.00 179.25 180.67 1upc h GLU 370 N 0.26 -0.27 -0.48 0.00 4.81 -1.20 -1.62 114.58 116.08 1upc h GLU 370 Ca 0.12 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.46 1upc h GLU 370 Cb 0.15 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.51 1upc h GLU 370 CO -0.02 -0.03 -0.03 0.74 -0.73 0.00 0.00 179.01 178.94 1upc h PHE 371 N -0.49 -0.08 -0.15 0.92 -1.00 -1.27 -1.59 116.94 113.27 1upc h PHE 371 Ca -0.03 0.04 0.02 0.00 2.81 0.00 0.00 57.97 60.81 1upc h PHE 371 Cb 0.37 0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 1upc h PHE 371 CO -0.00 -0.13 0.11 -0.07 -1.61 0.00 0.00 178.31 176.60 1upc h LEU 372 N 0.08 0.10 -1.93 1.54 3.38 -1.14 -2.63 115.31 114.70 1upc h LEU 372 Ca 0.24 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1upc h LEU 372 Cb 0.37 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1upc h LEU 372 CO -0.43 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.17 1upc n ALA 373 N -2.54 2.45 -1.23 1.53 0.00 -0.63 -4.76 120.51 115.33 1upc n ALA 373 Ca -0.00 -0.75 -0.36 0.00 0.00 0.00 0.00 53.44 52.33 1upc n ALA 373 Cb 0.15 -0.71 -0.12 0.00 0.00 0.00 0.00 19.45 18.77 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 1.19 0.29 -0.10 0.00 -0.08 -0.63 -4.79 116.55 112.44 1upc n ASP 374 Ca 0.13 0.20 0.13 0.00 -1.51 0.00 0.00 54.79 53.74 1upc n ASP 374 Cb 0.53 -0.77 0.33 0.00 2.34 0.00 0.00 41.12 43.55 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 7.02 0.36 -1.63 -0.67 -0.04 -1.26 -4.92 135.00 133.85 1upc n PRO 375 Ca 0.54 -0.20 -0.44 0.00 -0.04 0.00 0.00 63.50 63.36 1upc n PRO 375 Cb 0.02 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.97 1upc n PRO 375 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1upc n GLU 376 N -1.15 1.67 -3.69 0.54 2.13 -1.26 -5.01 120.64 113.86 1upc n GLU 376 Ca 0.09 0.59 -0.35 0.00 0.66 0.00 0.00 57.16 58.14 1upc n GLU 376 Cb 0.34 -2.06 -0.08 0.00 0.27 0.00 0.00 31.44 29.91 1upc n GLU 376 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1upc s THR 377 N -0.90 5.39 0.18 6.31 2.01 -1.26 -5.03 115.64 122.34 1upc s THR 377 Ca 0.60 0.27 0.06 0.00 0.31 0.00 0.00 61.69 62.92 1upc s THR 377 Cb -0.66 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1upc s THR 377 CO 0.59 0.44 0.11 -0.31 -0.69 0.00 0.00 174.62 174.76 1upc s TYR 378 N 0.33 3.07 0.00 4.92 1.51 -1.26 -5.08 117.35 120.84 1upc s TYR 378 Ca 0.10 -0.06 0.00 0.00 -1.01 0.00 0.00 57.07 56.10 1upc s TYR 378 Cb -0.11 -1.46 0.00 0.00 -0.11 0.00 0.00 41.96 40.28 1upc s TYR 378 CO -0.01 0.52 0.38 -0.85 -1.11 0.00 0.00 175.55 174.49 1upc n GLU 379 N -0.44 0.00 0.00 -0.62 0.00 -1.26 -4.40 120.64 113.92 1upc n GLU 379 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.08 1upc n GLU 379 Cb 0.55 -0.88 0.00 0.00 0.00 0.00 0.00 31.44 31.12 1upc n GLU 379 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1upc n ASP 380 N -0.47 0.00 -0.60 -1.84 5.68 -1.26 -4.95 116.55 113.12 1upc n ASP 380 Ca 0.00 0.80 0.00 0.00 -0.50 0.00 0.00 54.79 55.09 1upc n ASP 380 Cb 0.00 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 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 -0.99 3.48 3.61 6.12 0.00 -1.26 -4.91 105.19 111.23 1upc n GLY 381 Ca 0.00 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.79 -0.77 0.11 1.61 -1.94 -0.87 -4.41 119.30 112.25 1upc s MET 382 Ca 0.00 0.11 0.10 0.00 -1.71 0.00 0.00 55.69 54.19 1upc s MET 382 Cb 0.00 -1.63 -0.04 0.00 2.01 0.00 0.00 34.83 35.17 1upc s MET 382 CO 0.00 -3.45 -0.22 1.03 -0.01 0.00 0.00 175.02 172.37 1upc s ARG 383 N -5.26 1.65 0.37 2.03 1.81 -1.26 -2.79 118.95 115.49 1upc s ARG 383 Ca 0.69 -1.23 0.15 0.00 -1.72 0.00 0.00 55.73 53.62 1upc s ARG 383 Cb -0.13 -2.03 0.71 0.00 -0.45 0.00 0.00 34.95 33.06 1upc s ARG 383 CO 0.57 0.47 1.79 0.28 -0.68 0.00 0.00 175.30 177.73 1upc h VAL 384 N 3.73 1.15 -0.41 3.52 2.07 -1.98 0.12 116.25 124.45 1upc h VAL 384 Ca -0.50 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 65.56 1upc h VAL 384 Cb 1.17 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 1upc h VAL 384 CO 0.43 0.39 0.11 1.12 0.02 0.00 0.00 177.57 179.64 1upc h HIS 385 N 0.00 0.60 -0.52 1.57 2.07 -1.95 0.60 115.15 117.52 1upc h HIS 385 Ca -0.00 -0.04 -0.08 0.00 -2.85 0.00 0.00 60.37 57.40 1upc h HIS 385 Cb 0.77 -0.18 -0.02 0.00 2.57 0.00 0.00 27.41 30.54 1upc h HIS 385 CO 0.00 0.51 0.01 1.96 -3.07 0.00 0.00 177.93 177.34 1upc h GLN 386 N 0.58 0.88 -0.06 5.12 4.20 -1.22 -1.50 115.11 123.12 1upc h GLN 386 Ca 0.14 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 1upc h GLN 386 Cb 0.21 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1upc h GLN 386 CO -0.01 0.87 -0.04 0.28 -0.67 0.00 0.00 178.83 179.27 1upc h VAL 387 N 0.82 1.34 -0.59 -0.54 2.07 -0.89 -2.57 116.25 115.89 1upc h VAL 387 Ca 0.16 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.53 1upc h VAL 387 Cb 0.48 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 1upc h VAL 387 CO 0.02 0.30 0.19 0.40 0.02 0.00 0.00 177.57 178.50 1upc h ILE 388 N -0.27 1.22 -0.55 4.57 2.04 -0.88 -1.20 117.51 122.44 1upc h ILE 388 Ca 0.01 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 1upc h ILE 388 Cb 0.50 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1upc h ILE 388 CO 0.01 0.29 0.34 -0.78 0.00 0.00 0.00 178.15 178.01 1upc h ASP 389 N 0.86 0.66 -0.44 1.72 3.58 -1.26 0.66 116.42 122.20 1upc h ASP 389 Ca 0.20 -0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.63 1upc h ASP 389 Cb 0.24 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.09 1upc h ASP 389 CO -0.01 0.52 0.22 0.28 -2.88 0.00 0.00 179.24 177.37 1upc h SER 390 N 0.74 0.33 -0.60 2.28 0.02 -1.12 -1.90 113.55 113.30 1upc h SER 390 Ca 0.20 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1upc h SER 390 Cb -0.02 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 1upc h SER 390 CO -0.04 0.23 0.30 0.24 -1.14 0.00 0.00 176.83 176.43 1upc h MET 391 N 0.45 0.86 -0.76 3.45 2.86 -0.63 -2.39 114.93 118.77 1upc h MET 391 Ca 0.19 -0.12 0.09 0.00 -2.06 0.00 0.00 59.70 57.80 1upc h MET 391 Cb 0.09 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 31.52 1upc h MET 391 CO -0.13 0.68 0.41 -0.91 1.06 0.00 0.00 176.91 178.02 1upc h ASN 392 N 0.82 0.56 -0.38 1.22 2.35 -0.74 0.09 115.58 119.50 1upc h ASN 392 Ca 0.21 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 1upc h ASN 392 Cb 0.10 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1upc h ASN 392 CO -0.03 0.32 0.21 0.74 -1.65 0.00 0.00 177.43 177.02 1upc h THR 393 N 0.69 1.14 0.01 2.81 2.02 -0.86 -0.85 112.91 117.86 1upc h THR 393 Ca 0.37 -0.35 -0.20 0.00 0.77 0.00 0.00 66.41 67.00 1upc h THR 393 Cb 0.37 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1upc h THR 393 CO -0.26 0.14 -0.95 0.58 0.37 0.00 0.00 175.52 175.41 1upc h VAL 394 N 0.49 1.62 0.10 3.16 2.07 -1.26 -2.73 116.25 119.70 1upc h VAL 394 Ca 0.13 -3.07 -0.00 0.00 0.82 0.00 0.00 66.70 64.58 1upc h VAL 394 Cb 0.04 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1upc h VAL 394 CO -0.02 0.88 -0.05 -0.03 0.02 0.00 0.00 177.57 178.37 1upc h MET 395 N 0.02 -0.13 -0.77 1.57 -1.53 -0.84 -1.07 114.93 112.19 1upc h MET 395 Ca -0.03 0.01 0.14 0.00 -3.44 0.00 0.00 59.70 56.38 1upc h MET 395 Cb 1.65 0.03 -0.09 0.00 -0.55 0.00 0.00 31.60 32.63 1upc h MET 395 CO 0.13 0.14 0.34 1.49 0.14 0.00 0.00 176.91 179.15 1upc h GLU 396 N -0.39 0.48 0.04 0.39 4.81 -1.16 -0.62 114.58 118.13 1upc h GLU 396 Ca -0.01 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1upc h GLU 396 Cb 0.33 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1upc h GLU 396 CO 0.02 0.32 -0.02 0.93 -0.73 0.00 0.00 179.01 179.53 1upc h GLU 397 N 0.49 -0.05 0.00 1.92 5.08 -1.40 -3.29 114.58 117.33 1upc h GLU 397 Ca 0.42 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.71 1upc h GLU 397 Cb 0.62 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1upc h GLU 397 CO -0.38 0.16 -0.38 0.00 -1.00 0.00 0.00 179.01 177.40 1upc h ALA 398 N 0.69 0.91 -2.74 3.43 0.00 -0.71 -3.45 119.26 117.39 1upc h ALA 398 Ca -0.01 -0.35 -0.64 0.00 0.00 0.00 0.00 54.91 53.92 1upc h ALA 398 Cb 0.24 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 1upc h ALA 398 CO 0.01 0.48 -0.40 0.00 0.00 0.00 0.00 179.25 179.33 1upc s ALA 399 N -3.44 3.80 0.70 0.00 0.00 -0.28 -4.82 121.76 117.71 1upc s ALA 399 Ca 0.01 -0.53 -0.16 0.00 0.00 0.00 0.00 51.96 51.28 1upc s ALA 399 Cb 0.10 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1upc s ALA 399 CO 0.69 0.50 1.05 0.39 0.00 0.00 0.00 175.76 178.40 1upc n GLU 400 N 2.21 0.65 -1.67 0.00 -0.58 -1.26 -4.86 120.64 115.12 1upc n GLU 400 Ca -0.18 0.28 -0.41 0.00 -0.42 0.00 0.00 57.16 56.43 1upc n GLU 400 Cb 0.54 -2.30 0.01 0.00 -0.57 0.00 0.00 31.44 29.12 1upc n GLU 400 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1upc n PRO 401 N -1.88 1.79 -1.27 3.49 -0.04 -1.26 -1.94 135.00 133.89 1upc n PRO 401 Ca 0.14 0.64 -0.09 0.00 -0.04 0.00 0.00 63.50 64.14 1upc n PRO 401 Cb 0.49 -2.26 -0.04 0.00 -0.04 0.00 0.00 33.50 31.65 1upc n PRO 401 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1upc n GLY 402 N 0.92 1.03 3.03 0.55 0.00 -1.26 -5.00 105.19 104.46 1upc n GLY 402 Ca 0.07 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 1upc n GLY 402 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1upc n GLU 403 N -1.89 0.83 0.00 1.61 1.02 -0.82 -4.47 120.64 116.93 1upc n GLU 403 Ca -0.09 -3.10 0.00 0.00 -0.02 0.00 0.00 57.16 53.95 1upc n GLU 403 Cb 0.41 1.13 0.00 0.00 -0.02 0.00 0.00 31.44 32.96 1upc n GLU 403 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1upc n GLY 404 N -0.26 0.69 2.79 0.62 0.00 -1.26 -4.66 105.19 103.10 1upc n GLY 404 Ca -0.13 -1.65 -0.17 0.00 0.00 0.00 0.00 46.02 44.06 1upc n GLY 404 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1upc s THR 405 N -2.73 -0.16 -0.23 2.61 2.01 -0.86 -4.64 115.64 111.64 1upc s THR 405 Ca 0.00 0.34 -0.08 0.00 0.31 0.00 0.00 61.69 62.26 1upc s THR 405 Cb 0.00 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 1upc s THR 405 CO 0.00 0.14 0.10 -0.63 -0.69 0.00 0.00 174.62 173.54 1upc s ILE 406 N 1.98 4.80 -0.06 1.82 1.01 -0.14 -1.42 121.20 129.20 1upc s ILE 406 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.63 1upc s ILE 406 Cb -0.12 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 1upc s ILE 406 CO -0.05 0.37 0.01 -0.69 0.00 0.00 0.00 174.94 174.59 1upc s VAL 407 N 1.10 4.35 -0.07 2.92 1.01 0.40 -0.98 120.40 129.13 1upc s VAL 407 Ca 0.05 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1upc s VAL 407 Cb -0.14 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.37 1upc s VAL 407 CO 0.04 0.53 -0.17 -0.55 0.00 0.00 0.00 175.10 174.94 1upc s SER 408 N -1.14 2.30 0.37 3.32 0.15 -0.10 -0.91 113.70 117.70 1upc s SER 408 Ca 0.16 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.41 1upc s SER 408 Cb -0.11 -0.96 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 1upc s SER 408 CO 0.05 0.10 0.00 -0.67 1.20 0.00 0.00 173.24 173.93 1upc n ASP 409 N 3.56 -0.58 -4.36 5.45 -0.08 -0.52 -4.46 116.55 115.58 1upc n ASP 409 Ca -0.21 -0.08 -0.31 0.00 -1.51 0.00 0.00 54.79 52.69 1upc n ASP 409 Cb 0.52 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.84 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 -0.37 2.24 -5.00 5.18 -1.09 -1.26 -4.65 121.20 116.24 1upc s ILE 410 Ca 0.00 -1.28 0.00 0.00 -2.23 0.00 0.00 60.65 57.14 1upc s ILE 410 Cb 0.00 -1.86 0.00 0.00 -1.58 0.00 0.00 42.46 39.02 1upc s ILE 410 CO 0.00 0.42 0.00 0.61 -1.23 0.00 0.00 174.94 174.74 1upc n GLY 411 N 1.91 -1.94 0.33 6.18 0.00 -1.26 -4.64 105.19 105.77 1upc n GLY 411 Ca -0.17 -1.42 0.06 0.00 0.00 0.00 0.00 46.02 44.49 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 0.95 0.00 1.61 3.57 -1.92 -1.70 116.94 119.45 1upc h PHE 412 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1upc h PHE 412 Cb 0.00 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.45 1upc h PHE 412 CO 0.00 0.34 -0.03 0.27 -2.23 0.00 0.00 178.31 176.66 1upc h PHE 413 N 0.83 0.00 -0.65 0.41 -0.00 -1.97 -2.93 116.94 112.62 1upc h PHE 413 Ca 0.46 0.00 -0.07 0.00 -0.00 0.00 0.00 57.97 58.35 1upc h PHE 413 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 36.42 1upc h PHE 413 CO -0.04 0.03 0.11 -0.09 -0.00 0.00 0.00 178.31 178.32 1upc h ARG 414 N 0.00 1.06 0.00 6.09 1.12 -1.57 -2.00 114.38 119.08 1upc h ARG 414 Ca -0.00 -0.27 -0.03 0.00 -1.11 0.00 0.00 59.98 58.56 1upc h ARG 414 Cb 0.24 -0.13 -0.00 0.00 -0.01 0.00 0.00 29.97 30.06 1upc h ARG 414 CO 0.00 0.97 -0.16 0.45 -3.11 0.00 0.00 179.97 178.12 1upc h HIS 415 N 1.00 0.00 -0.35 2.20 3.86 -1.63 -0.81 115.15 119.43 1upc h HIS 415 Ca 0.20 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.31 1upc h HIS 415 Cb 0.42 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 1upc h HIS 415 CO 0.03 0.16 -0.18 1.88 0.86 0.00 0.00 177.93 180.68 1upc h TYR 416 N 0.00 0.85 -0.91 2.45 -1.99 -1.55 -2.76 116.97 113.05 1upc h TYR 416 Ca -0.00 -0.22 0.12 0.00 2.00 0.00 0.00 58.73 60.63 1upc h TYR 416 Cb 0.53 -0.19 -0.08 0.00 2.00 0.00 0.00 36.73 38.98 1upc h TYR 416 CO 0.00 0.94 0.54 0.78 -0.00 0.00 0.00 178.16 180.42 1upc h GLY 417 N 0.52 1.48 0.95 3.88 0.00 -0.46 -0.58 103.07 108.87 1upc h GLY 417 Ca 0.08 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.07 1upc h GLY 417 CO 0.05 0.09 0.23 -2.08 0.00 0.00 0.00 176.54 174.84 1upc h VAL 418 N 0.83 1.06 -0.19 4.60 2.07 -1.16 -1.22 116.25 122.25 1upc h VAL 418 Ca 0.46 -0.16 -0.17 0.00 0.82 0.00 0.00 66.70 67.65 1upc h VAL 418 Cb 0.51 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1upc h VAL 418 CO -0.29 0.09 -0.54 -0.07 0.02 0.00 0.00 177.57 176.78 1upc h LEU 419 N 0.47 0.80 0.00 2.57 3.38 -1.12 -3.40 115.31 118.01 1upc h LEU 419 Ca 0.14 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1upc h LEU 419 Cb -0.02 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1upc h LEU 419 CO -0.05 1.25 -0.57 0.49 0.09 0.00 0.00 178.44 179.64 1upc n PHE 420 N -4.12 0.00 -2.63 1.13 3.72 -0.28 -4.90 117.46 110.38 1upc n PHE 420 Ca -0.06 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.95 1upc n PHE 420 Cb 0.62 -0.04 -0.05 0.00 -0.94 0.00 0.00 39.48 39.07 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 -1.72 3.25 0.02 4.37 0.00 -0.46 -4.80 121.76 122.42 1upc s ALA 421 Ca 0.00 0.69 -0.26 0.00 0.00 0.00 0.00 51.96 52.39 1upc s ALA 421 Cb 0.03 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 1upc s ALA 421 CO 0.16 -0.02 0.81 0.50 0.00 0.00 0.00 175.76 177.21 1upc s ARG 422 N -1.85 4.52 -0.26 0.00 3.52 -1.26 -4.96 118.95 118.65 1upc s ARG 422 Ca 0.49 1.13 -0.04 0.00 -0.13 0.00 0.00 55.73 57.19 1upc s ARG 422 Cb -0.25 -3.40 0.09 0.00 -1.56 0.00 0.00 34.95 29.83 1upc s ARG 422 CO 0.31 0.16 0.11 0.00 -0.81 0.00 0.00 175.30 175.07 1upc s ALA 423 N 0.36 0.76 -1.48 6.12 0.00 -1.26 -4.62 121.76 121.64 1upc s ALA 423 Ca 0.42 -0.96 0.17 0.00 0.00 0.00 0.00 51.96 51.58 1upc s ALA 423 Cb -0.20 -1.32 0.47 0.00 0.00 0.00 0.00 23.12 22.06 1upc s ALA 423 CO 0.24 -1.50 1.39 -3.47 0.00 0.00 0.00 175.76 172.42 1upc n ASP 424 N 5.17 3.42 -3.85 0.00 2.03 -1.26 -3.93 116.55 118.13 1upc n ASP 424 Ca -0.06 -1.99 -0.10 0.00 0.52 0.00 0.00 54.79 53.17 1upc n ASP 424 Cb 0.44 -0.35 -0.06 0.00 -0.72 0.00 0.00 41.12 40.43 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 -1.02 1.16 0.16 -0.67 -2.07 -1.26 -4.19 119.66 111.77 1upc s GLN 425 Ca 0.36 -1.01 -0.33 0.00 -1.82 0.00 0.00 55.36 52.56 1upc s GLN 425 Cb 0.19 0.42 -0.16 0.00 -1.09 0.00 0.00 33.01 32.37 1upc s GLN 425 CO 0.25 -0.44 1.17 -2.30 -1.32 0.00 0.00 175.29 172.65 1upc n PRO 426 N -0.23 1.12 -2.07 9.60 -0.02 -1.13 -0.67 135.00 141.59 1upc n PRO 426 Ca -0.10 0.40 -0.20 0.00 -2.02 0.00 0.00 63.50 61.58 1upc n PRO 426 Cb 0.63 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 32.16 1upc n PRO 426 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1upc n PHE 427 N 1.60 -0.65 0.16 6.00 3.72 -1.23 -4.84 117.46 122.22 1upc n PHE 427 Ca 0.16 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.59 1upc n PHE 427 Cb 0.23 -3.64 0.15 0.00 -0.94 0.00 0.00 39.48 35.28 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 -6.23 1.37 0.00 -1.07 -3.39 103.07 93.75 1upc h GLY 428 Ca -0.45 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.22 1upc h GLY 428 CO 0.57 0.00 -0.81 -0.12 0.00 0.00 0.00 176.54 176.19 1upc s PHE 429 N -3.19 2.83 -0.15 5.60 5.36 -1.26 -0.97 117.98 126.20 1upc s PHE 429 Ca 0.03 -1.29 0.02 0.00 -0.96 0.00 0.00 56.93 54.72 1upc s PHE 429 Cb 0.09 -1.96 0.01 0.00 -0.34 0.00 0.00 43.02 40.81 1upc s PHE 429 CO 0.72 -0.65 -0.20 -0.51 -1.46 0.00 0.00 175.22 173.12 1upc s LEU 430 N 1.22 2.20 0.31 6.12 1.02 -0.15 -4.51 118.68 124.90 1upc s LEU 430 Ca 0.02 -0.58 -0.04 0.00 0.02 0.00 0.00 54.13 53.55 1upc s LEU 430 Cb -0.14 -1.48 -0.00 0.00 0.02 0.00 0.00 46.19 44.58 1upc s LEU 430 CO -0.07 0.06 0.44 0.28 0.02 0.00 0.00 176.35 177.08 1upc s THR 431 N 0.93 0.00 -0.46 5.49 -1.32 -1.26 -0.92 115.64 118.10 1upc s THR 431 Ca -0.04 -1.62 -0.17 0.00 -1.21 0.00 0.00 61.69 58.66 1upc s THR 431 Cb -0.15 -2.55 0.05 0.00 -1.51 0.00 0.00 72.50 68.34 1upc s THR 431 CO -0.04 0.00 0.45 -0.55 -2.21 0.00 0.00 174.62 172.27 1upc s SER 432 N -3.20 6.17 -0.06 8.08 0.15 -1.26 -4.88 113.70 118.71 1upc s SER 432 Ca 0.30 -1.01 -0.10 0.00 0.70 0.00 0.00 55.95 55.85 1upc s SER 432 Cb 0.00 -2.22 -0.30 0.00 -1.71 0.00 0.00 66.02 61.80 1upc s SER 432 CO 0.18 -0.66 0.63 0.00 1.20 0.00 0.00 173.24 174.59 1upc h ALA 433 N 8.79 0.21 0.03 5.45 0.00 -1.91 -3.25 119.26 128.58 1upc h ALA 433 Ca -0.27 -1.18 -0.10 0.00 0.00 0.00 0.00 54.91 53.36 1upc h ALA 433 Cb 1.11 0.49 0.01 0.00 0.00 0.00 0.00 17.79 19.39 1upc h ALA 433 CO 0.86 1.08 -0.40 0.78 0.00 0.00 0.00 179.25 181.57 1upc h GLY 434 N 0.82 0.25 0.00 0.00 0.00 -1.75 -3.42 103.07 98.96 1upc h GLY 434 Ca -0.35 -0.49 -0.39 0.00 0.00 0.00 0.00 47.33 46.10 1upc h GLY 434 CO 0.16 0.43 -2.37 0.00 0.00 0.00 0.00 176.54 174.76 1upc n SER 436 N -3.60 -1.05 -4.73 0.00 7.64 -1.23 -4.95 113.62 105.70 1upc n SER 436 Ca -0.45 -0.89 -0.41 0.00 1.01 0.00 0.00 58.87 58.13 1upc n SER 436 Cb 0.91 -3.72 -0.03 0.00 -1.01 0.00 0.00 64.21 60.35 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 -4.33 7.16 0.63 6.43 0.15 -1.26 -4.97 113.70 117.50 1upc s SER 437 Ca 0.02 2.08 -0.18 0.00 0.70 0.00 0.00 55.95 58.57 1upc s SER 437 Cb -0.01 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.69 1upc s SER 437 CO 0.84 -0.35 1.20 0.72 1.20 0.00 0.00 173.24 176.85 1upc s PHE 438 N 0.35 2.33 0.00 3.44 -0.71 -1.26 -3.10 117.98 119.02 1upc s PHE 438 Ca 0.54 1.53 0.00 0.00 -1.04 0.00 0.00 56.93 57.96 1upc s PHE 438 Cb -0.30 -3.46 0.00 0.00 -1.21 0.00 0.00 43.02 38.05 1upc s PHE 438 CO 0.33 -2.28 0.00 0.41 -1.34 0.00 0.00 175.22 172.34 1upc n GLY 439 N 0.41 0.75 0.27 1.99 0.00 -1.11 -4.90 105.19 102.59 1upc n GLY 439 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 0.39 1.61 3.20 -1.85 -3.35 116.97 116.97 1upc h TYR 440 Ca 0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1upc h TYR 440 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1upc h TYR 440 CO 0.00 0.11 -0.19 0.78 -1.64 0.00 0.00 178.16 177.23 1upc h GLY 441 N 0.91 -0.54 0.49 1.82 0.00 -1.88 -1.94 103.07 101.93 1upc h GLY 441 Ca -0.00 0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 1upc h GLY 441 CO 0.01 -0.20 -0.44 -2.22 0.00 0.00 0.00 176.54 173.69 1upc h ILE 442 N -0.77 0.12 -0.62 2.60 2.04 -1.92 0.14 117.51 119.09 1upc h ILE 442 Ca -0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.86 1upc h ILE 442 Cb 0.52 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1upc h ILE 442 CO 0.09 0.00 0.41 1.55 0.00 0.00 0.00 178.15 180.20 1upc h PRO 443 N -0.85 0.63 -0.25 2.37 0.13 -1.76 0.16 132.00 132.42 1upc h PRO 443 Ca -0.03 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.94 1upc h PRO 443 Cb 0.77 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 1upc h PRO 443 CO -0.10 0.42 -0.34 0.00 -0.23 0.00 0.00 178.00 177.74 1upc h ALA 444 N 1.66 0.93 -0.20 -0.56 0.00 -0.98 -0.20 119.26 119.91 1upc h ALA 444 Ca 0.26 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1upc h ALA 444 Cb 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1upc h ALA 444 CO -0.08 0.62 -0.44 0.00 0.00 0.00 0.00 179.25 179.35 1upc h ALA 445 N 1.17 0.87 -0.24 0.00 0.00 0.27 -0.66 119.26 120.65 1upc h ALA 445 Ca 0.05 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1upc h ALA 445 Cb 0.81 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1upc h ALA 445 CO 0.07 0.65 0.03 0.82 0.00 0.00 0.00 179.25 180.82 1upc h ILE 446 N 0.39 1.23 -0.80 0.00 2.04 -0.33 -1.27 117.51 118.78 1upc h ILE 446 Ca 0.03 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 1upc h ILE 446 Cb 0.94 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 1upc h ILE 446 CO 0.08 0.25 0.38 1.23 0.00 0.00 0.00 178.15 180.10 1upc h GLY 447 N 0.21 1.23 1.07 5.37 0.00 -0.95 -2.26 103.07 107.74 1upc h GLY 447 Ca 0.07 -0.61 -0.16 0.00 0.00 0.00 0.00 47.33 46.63 1upc h GLY 447 CO 0.01 0.58 -0.43 0.00 0.00 0.00 0.00 176.54 176.70 1upc h ALA 448 N 1.20 0.45 -0.26 3.60 0.00 -1.03 -1.52 119.26 121.69 1upc h ALA 448 Ca 0.27 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1upc h ALA 448 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1upc h ALA 448 CO -0.03 0.58 -0.23 0.37 0.00 0.00 0.00 179.25 179.94 1upc h GLN 449 N 0.59 0.50 -0.00 0.00 5.75 -1.18 -1.68 115.11 119.08 1upc h GLN 449 Ca 0.03 -0.18 -0.18 0.00 -0.15 0.00 0.00 58.65 58.17 1upc h GLN 449 Cb 1.03 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.53 1upc h GLN 449 CO 0.10 0.70 -0.82 0.52 -2.65 0.00 0.00 178.83 176.68 1upc h MET 450 N 0.44 0.12 0.00 1.69 2.86 -1.27 -2.46 114.93 116.31 1upc h MET 450 Ca 0.07 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1upc h MET 450 Cb 0.64 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 1upc h MET 450 CO 0.05 0.87 -0.15 0.00 1.06 0.00 0.00 176.91 178.74 1upc h ALA 451 N 1.09 0.95 -2.04 6.32 0.00 -1.01 -3.36 119.26 121.21 1upc h ALA 451 Ca -0.03 -0.14 -0.57 0.00 0.00 0.00 0.00 54.91 54.18 1upc h ALA 451 Cb 1.42 -0.02 -0.39 0.00 0.00 0.00 0.00 17.79 18.80 1upc h ALA 451 CO 0.12 0.19 -1.05 0.54 0.00 0.00 0.00 179.25 179.05 1upc n ARG 452 N -3.19 0.89 0.22 0.00 1.74 -0.66 -4.96 116.66 110.69 1upc n ARG 452 Ca 0.02 -3.38 0.06 0.00 -0.77 0.00 0.00 57.85 53.78 1upc n ARG 452 Cb 0.49 -1.35 0.49 0.00 -1.02 0.00 0.00 32.46 31.07 1upc n ARG 452 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1upc h PRO 453 N 4.10 0.00 -0.70 5.56 0.13 -1.60 -2.68 132.00 136.80 1upc h PRO 453 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1upc h PRO 453 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1upc h PRO 453 CO 0.50 0.24 0.00 -0.25 -0.23 0.00 0.00 178.00 178.26 1upc n ASP 454 N -4.08 4.14 -4.59 1.44 8.00 -1.26 -4.91 116.55 115.29 1upc n ASP 454 Ca -0.02 -2.14 -0.32 0.00 0.71 0.00 0.00 54.79 53.02 1upc n ASP 454 Cb 0.31 -0.51 -0.10 0.00 -0.02 0.00 0.00 41.12 40.79 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 -1.30 2.49 0.58 -1.24 -0.21 -1.01 -4.99 119.66 113.97 1upc s GLN 455 Ca 0.49 -0.77 -0.19 0.00 0.02 0.00 0.00 55.36 54.91 1upc s GLN 455 Cb 0.28 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.78 1upc s GLN 455 CO 0.30 0.59 1.19 -2.14 -2.12 0.00 0.00 175.29 173.10 1upc s PRO 456 N -1.53 3.07 -0.20 2.91 0.02 -1.26 -4.94 135.00 133.06 1upc s PRO 456 Ca 0.18 1.77 -0.04 0.00 0.02 0.00 0.00 61.00 62.93 1upc s PRO 456 Cb -0.11 -1.95 0.08 0.00 0.02 0.00 0.00 34.50 32.54 1upc s PRO 456 CO 0.08 -1.11 0.15 0.99 -0.33 0.00 0.00 177.00 176.79 1upc s THR 457 N -1.64 -0.19 0.18 0.99 2.01 -1.26 -2.04 115.64 113.70 1upc s THR 457 Ca 0.76 -0.24 0.07 0.00 0.31 0.00 0.00 61.69 62.60 1upc s THR 457 Cb -0.29 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 1upc s THR 457 CO 0.31 -0.32 0.04 -0.36 -0.69 0.00 0.00 174.62 173.61 1upc s PHE 458 N 2.22 2.92 -0.03 4.92 0.08 -0.50 -2.16 117.98 125.42 1upc s PHE 458 Ca 0.05 -0.11 0.01 0.00 0.12 0.00 0.00 56.93 57.00 1upc s PHE 458 Cb -0.16 -1.39 0.02 0.00 -0.57 0.00 0.00 43.02 40.92 1upc s PHE 458 CO -0.15 0.53 -0.03 -1.17 -0.10 0.00 0.00 175.22 174.30 1upc s LEU 459 N -3.09 1.43 -0.06 -0.37 2.96 -0.01 -0.45 118.68 119.08 1upc s LEU 459 Ca 0.29 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.14 1upc s LEU 459 Cb -0.09 -0.34 -0.03 0.00 0.50 0.00 0.00 46.19 46.24 1upc s LEU 459 CO 0.20 -0.04 -0.14 -0.51 -1.32 0.00 0.00 176.35 174.54 1upc s ILE 460 N 0.72 3.10 0.03 6.68 2.07 -0.09 -0.35 121.20 133.37 1upc s ILE 460 Ca -0.08 -0.70 -0.07 0.00 -1.41 0.00 0.00 60.65 58.39 1upc s ILE 460 Cb -0.12 -2.22 -0.01 0.00 0.13 0.00 0.00 42.46 40.24 1upc s ILE 460 CO -0.00 0.59 0.12 0.00 -1.91 0.00 0.00 174.94 173.73 1upc s ALA 461 N -0.63 -0.16 0.64 1.50 0.00 -0.79 -1.43 121.76 120.89 1upc s ALA 461 Ca 0.09 -0.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.59 1upc s ALA 461 Cb -0.11 0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.31 1upc s ALA 461 CO 0.01 -0.32 0.91 0.20 0.00 0.00 0.00 175.76 176.56 1upc s GLY 462 N -2.04 1.77 0.27 0.00 0.00 -1.26 -1.42 107.32 104.63 1upc s GLY 462 Ca -0.06 -1.24 -0.02 0.00 0.00 0.00 0.00 44.72 43.40 1upc s GLY 462 CO -0.04 -0.86 1.78 1.29 0.00 0.00 0.00 173.10 175.27 1upc h ASP 463 N -0.30 0.75 0.61 1.64 2.03 -1.78 -0.92 116.42 118.46 1upc h ASP 463 Ca -0.42 -0.17 -0.02 0.00 -0.73 0.00 0.00 57.03 55.68 1upc h ASP 463 Cb 1.30 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 39.59 1upc h ASP 463 CO 0.53 0.80 -0.43 1.23 -1.03 0.00 0.00 179.24 180.34 1upc h GLY 464 N 0.97 -1.21 1.41 7.15 0.00 -1.90 -2.59 103.07 106.89 1upc h GLY 464 Ca 0.15 0.51 -0.21 0.00 0.00 0.00 0.00 47.33 47.78 1upc h GLY 464 CO 0.01 -0.39 -0.82 -1.33 0.00 0.00 0.00 176.54 174.01 1upc h GLY 465 N -1.00 0.63 0.95 4.60 0.00 -1.82 -2.89 103.07 103.54 1upc h GLY 465 Ca -0.08 -0.95 0.01 0.00 0.00 0.00 0.00 47.33 46.31 1upc h GLY 465 CO 0.05 0.84 0.19 -2.75 0.00 0.00 0.00 176.54 174.87 1upc h PHE 466 N 0.37 0.37 0.00 5.60 3.57 -1.24 -2.46 116.94 123.15 1upc h PHE 466 Ca -0.06 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1upc h PHE 466 Cb 1.44 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.06 1upc h PHE 466 CO 0.07 0.22 0.00 1.25 -2.23 0.00 0.00 178.31 177.62 1upc h HIS 467 N 0.40 0.00 0.00 0.41 2.76 -1.46 -1.13 115.15 116.13 1upc h HIS 467 Ca 0.12 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.27 1upc h HIS 467 Cb -0.02 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.94 1upc h HIS 467 CO -0.07 0.00 -0.09 0.66 -1.30 0.00 0.00 177.93 177.13 1upc h SER 468 N 0.00 0.00 -0.10 3.26 4.64 -1.22 -3.25 113.55 116.88 1upc h SER 468 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 1upc h SER 468 Cb 0.58 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.30 1upc h SER 468 CO 0.00 0.09 -1.00 -3.20 -0.87 0.00 0.00 176.83 171.85 1upc n ASN 469 N -3.60 0.96 0.20 4.97 5.15 -1.03 -4.95 115.26 116.96 1upc n ASN 469 Ca -0.02 -2.01 0.08 0.00 -0.60 0.00 0.00 54.58 52.03 1upc n ASN 469 Cb 0.21 -0.28 0.38 0.00 -0.53 0.00 0.00 39.78 39.55 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 1.30 0.00 -0.05 1.20 4.64 -1.25 -3.28 113.55 116.11 1upc h SER 470 Ca -0.24 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.10 1upc h SER 470 Cb 1.72 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.80 1upc h SER 470 CO 0.09 0.30 0.06 0.28 -0.87 0.00 0.00 176.83 176.68 1upc h SER 471 N 0.00 0.00 0.00 4.97 0.02 -1.87 -0.70 113.55 115.97 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 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1upc h SER 471 CO 0.04 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.20 1upc n ASP 472 N -3.86 0.08 -0.31 3.07 8.00 -1.24 -2.16 116.55 120.13 1upc n ASP 472 Ca -0.02 -1.65 0.01 0.00 0.71 0.00 0.00 54.79 53.84 1upc n ASP 472 Cb 0.15 -0.04 0.19 0.00 -0.02 0.00 0.00 41.12 41.40 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 0.02 0.99 -1.33 0.64 3.38 -1.40 -2.42 115.31 115.19 1upc h LEU 473 Ca 0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1upc h LEU 473 Cb 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1upc h LEU 473 CO 0.00 0.70 -0.15 -0.08 0.09 0.00 0.00 178.44 179.00 1upc h GLU 474 N 1.16 0.26 -0.66 1.13 4.22 -1.61 -1.89 114.58 117.20 1upc h GLU 474 Ca 0.35 -0.07 -0.03 0.00 0.08 0.00 0.00 59.36 59.69 1upc h GLU 474 Cb -0.04 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1upc h GLU 474 CO -0.09 0.42 0.28 1.15 -2.18 0.00 0.00 179.01 178.58 1upc h THR 475 N 0.25 1.23 -0.57 0.32 2.02 -1.64 -1.30 112.91 113.22 1upc h THR 475 Ca 0.05 -0.71 -0.05 0.00 0.77 0.00 0.00 66.41 66.47 1upc h THR 475 Cb 0.42 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1upc h THR 475 CO 0.03 0.29 0.17 0.40 0.37 0.00 0.00 175.52 176.77 1upc h ILE 476 N 0.93 1.24 -0.32 3.11 2.04 -1.14 -1.09 117.51 122.27 1upc h ILE 476 Ca 0.22 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 1upc h ILE 476 Cb 0.18 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1upc h ILE 476 CO -0.02 0.31 0.20 0.00 0.00 0.00 0.00 178.15 178.64 1upc h ALA 477 N 1.04 0.41 -0.77 1.87 0.00 -1.20 -0.62 119.26 120.00 1upc h ALA 477 Ca 0.18 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1upc h ALA 477 Cb 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1upc h ALA 477 CO -0.00 -0.09 0.33 -0.09 0.00 0.00 0.00 179.25 179.39 1upc h ARG 478 N 0.42 1.13 -0.00 0.00 2.43 -0.96 -0.49 114.38 116.91 1upc h ARG 478 Ca 0.12 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1upc h ARG 478 Cb 0.00 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1upc h ARG 478 CO -0.02 0.91 -0.19 1.28 -1.51 0.00 0.00 179.97 180.44 1upc n LEU 479 N -4.33 0.29 -3.76 3.80 4.77 -0.44 -4.96 117.00 112.37 1upc n LEU 479 Ca 0.07 0.20 -0.34 0.00 -0.03 0.00 0.00 56.01 55.91 1upc n LEU 479 Cb 0.17 -0.33 0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1upc n LEU 479 CO 0.40 0.06 -0.09 -3.20 -1.33 0.00 0.00 177.39 173.23 1upc n ASN 480 N -1.34 -5.12 -4.40 -1.43 5.15 -0.20 -4.95 115.26 102.98 1upc n ASN 480 Ca 0.09 -1.05 -0.38 0.00 -0.60 0.00 0.00 54.58 52.64 1upc n ASN 480 Cb 0.32 -2.89 -0.12 0.00 -0.53 0.00 0.00 39.78 36.56 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 -6.50 3.94 -1.02 1.20 1.43 -1.01 -4.89 118.68 111.81 1upc s LEU 481 Ca 0.43 -0.59 -0.08 0.00 -1.03 0.00 0.00 54.13 52.86 1upc s LEU 481 Cb -0.18 -1.94 -0.13 0.00 0.03 0.00 0.00 46.19 43.97 1upc s LEU 481 CO 0.89 -0.18 2.94 -0.81 0.23 0.00 0.00 176.35 179.42 1upc n PRO 482 N 4.92 2.87 -2.89 1.29 -0.04 -1.26 -3.83 135.00 136.06 1upc n PRO 482 Ca -0.14 -1.69 -0.38 0.00 -0.04 0.00 0.00 63.50 61.25 1upc n PRO 482 Cb 0.49 -2.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.40 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 2.07 4.29 -0.17 0.52 1.01 -1.26 -4.65 121.20 123.02 1upc s ILE 483 Ca 0.62 1.74 -0.03 0.00 0.00 0.00 0.00 60.65 62.99 1upc s ILE 483 Cb 0.20 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 1upc s ILE 483 CO -0.04 0.34 -0.07 -0.69 0.00 0.00 0.00 174.94 174.48 1upc s VAL 484 N -1.37 3.42 -0.07 2.92 1.01 -0.92 -2.10 120.40 123.29 1upc s VAL 484 Ca 0.43 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1upc s VAL 484 Cb -0.21 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 1upc s VAL 484 CO 0.26 0.48 -0.18 -0.89 0.00 0.00 0.00 175.10 174.77 1upc s THR 485 N 0.76 2.70 -0.17 3.92 2.01 -0.60 -0.83 115.64 123.42 1upc s THR 485 Ca -0.03 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.14 1upc s THR 485 Cb -0.15 -2.05 0.01 0.00 0.01 0.00 0.00 72.50 70.32 1upc s THR 485 CO 0.02 0.57 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.66 1upc s VAL 486 N -0.34 2.43 -0.37 3.82 1.01 0.53 0.03 120.40 127.51 1upc s VAL 486 Ca 0.02 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 1upc s VAL 486 Cb -0.13 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.24 1upc s VAL 486 CO 0.02 0.52 0.21 -0.69 0.00 0.00 0.00 175.10 175.16 1upc s VAL 487 N 1.14 4.64 -0.52 2.92 1.01 0.44 -1.88 120.40 128.15 1upc s VAL 487 Ca 0.01 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 60.95 1upc s VAL 487 Cb -0.14 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.71 1upc s VAL 487 CO -0.07 -0.21 0.94 0.68 0.00 0.00 0.00 175.10 176.45 1upc s VAL 488 N 1.57 4.41 -0.18 2.92 -7.23 -0.51 -1.23 120.40 120.15 1upc s VAL 488 Ca 0.03 0.48 -0.05 0.00 -1.81 0.00 0.00 61.98 60.63 1upc s VAL 488 Cb -0.19 -4.50 -0.03 0.00 0.56 0.00 0.00 36.38 32.22 1upc s VAL 488 CO 0.07 -1.01 0.01 0.21 -0.31 0.00 0.00 175.10 174.07 1upc s ASN 489 N 2.61 5.09 -0.04 4.85 3.84 -0.70 -2.42 114.94 128.17 1upc s ASN 489 Ca 0.33 -0.09 0.06 0.00 0.21 0.00 0.00 52.86 53.37 1upc s ASN 489 Cb -0.11 -1.86 0.09 0.00 -0.55 0.00 0.00 41.25 38.81 1upc s ASN 489 CO 0.22 0.13 1.01 -0.46 -2.79 0.00 0.00 177.10 175.21 1upc n ASN 490 N 3.81 0.78 -3.13 -4.21 6.94 -1.26 -1.06 115.26 117.13 1upc n ASN 490 Ca -0.17 -2.25 -0.22 0.00 -0.02 0.00 0.00 54.58 51.92 1upc n ASN 490 Cb 0.52 -0.24 0.02 0.00 -2.36 0.00 0.00 39.78 37.71 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 -0.45 -5.05 -3.61 0.53 8.00 -1.26 -4.94 116.55 109.77 1upc n ASP 491 Ca 0.05 -0.31 -0.16 0.00 0.71 0.00 0.00 54.79 55.08 1upc n ASP 491 Cb 0.65 -4.12 -0.07 0.00 -0.02 0.00 0.00 41.12 37.56 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 -3.05 0.01 -1.27 -3.53 2.01 -1.26 -1.63 115.64 106.92 1upc s THR 492 Ca 0.33 -0.11 -0.19 0.00 0.31 0.00 0.00 61.69 62.03 1upc s THR 492 Cb -0.16 -0.88 0.02 0.00 0.01 0.00 0.00 72.50 71.50 1upc s THR 492 CO 0.40 -0.06 1.81 0.59 -0.69 0.00 0.00 174.62 176.68 1upc n ASN 493 N 1.42 4.37 0.18 3.53 3.02 -0.14 -4.30 115.26 123.34 1upc n ASN 493 Ca -0.18 -2.86 -0.14 0.00 -0.03 0.00 0.00 54.58 51.37 1upc n ASN 493 Cb 0.56 -1.74 -0.08 0.00 -0.61 0.00 0.00 39.78 37.92 1upc n ASN 493 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1upc h GLY 494 N 13.87 -0.42 -1.10 7.41 0.00 -1.96 -2.01 103.07 118.87 1upc h GLY 494 Ca 0.39 0.15 0.43 0.00 0.00 0.00 0.00 47.33 48.31 1upc h GLY 494 CO 1.42 -0.15 0.80 -2.00 0.00 0.00 0.00 176.54 176.61 1upc h LEU 495 N -0.46 0.26 0.06 3.11 6.46 -1.92 0.11 115.31 122.93 1upc h LEU 495 Ca -0.04 0.16 -0.28 0.00 -0.12 0.00 0.00 57.88 57.60 1upc h LEU 495 Cb 0.35 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 1upc h LEU 495 CO 0.07 -0.23 -1.43 0.40 -0.62 0.00 0.00 178.44 176.63 1upc h ILE 496 N 0.08 1.23 -0.74 4.05 1.08 -1.80 -2.69 117.51 118.72 1upc h ILE 496 Ca 0.83 -2.94 -0.01 0.00 -0.39 0.00 0.00 64.86 62.34 1upc h ILE 496 Cb 2.52 2.70 -0.04 0.00 -3.07 0.00 0.00 36.82 38.93 1upc h ILE 496 CO -0.49 0.78 0.41 -0.08 -0.69 0.00 0.00 178.15 178.09 1upc h GLU 497 N 0.03 1.03 -0.22 2.37 4.81 -0.53 -0.42 114.58 121.66 1upc h GLU 497 Ca -0.19 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 58.98 1upc h GLU 497 Cb 1.95 -0.20 -0.07 0.00 0.63 0.00 0.00 28.75 31.05 1upc h GLU 497 CO 0.13 0.76 -0.39 1.25 -0.73 0.00 0.00 179.01 180.04 1upc h LEU 498 N 1.02 -1.23 -1.29 1.64 6.46 -1.11 -1.37 115.31 119.42 1upc h LEU 498 Ca 0.26 0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 58.17 1upc h LEU 498 Cb 0.03 0.52 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 1upc h LEU 498 CO -0.04 -0.39 0.13 1.88 -0.62 0.00 0.00 178.44 179.39 1upc h TYR 499 N -0.41 0.61 -0.82 1.25 0.05 -1.28 0.12 116.97 116.50 1upc h TYR 499 Ca 0.10 -0.04 0.03 0.00 0.05 0.00 0.00 58.73 58.88 1upc h TYR 499 Cb 0.59 -0.19 -0.05 0.00 1.01 0.00 0.00 36.73 38.09 1upc h TYR 499 CO -0.50 0.52 0.52 1.96 -1.05 0.00 0.00 178.16 179.61 1upc h GLN 500 N 0.60 0.99 -0.01 4.88 4.20 -0.53 -1.92 115.11 123.33 1upc h GLN 500 Ca 0.14 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.63 1upc h GLN 500 Cb 0.19 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1upc h GLN 500 CO -0.01 0.66 -0.74 -0.91 -0.67 0.00 0.00 178.83 177.16 1upc h ASN 501 N 1.02 0.06 -0.36 1.46 2.35 -0.09 0.25 115.58 120.27 1upc h ASN 501 Ca 0.32 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.99 1upc h ASN 501 Cb 0.00 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1upc h ASN 501 CO -0.11 0.78 0.06 0.40 -1.65 0.00 0.00 177.43 176.91 1upc h ILE 502 N 0.03 1.24 0.00 2.81 2.04 -0.54 -1.72 117.51 121.37 1upc h ILE 502 Ca -0.01 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 64.98 1upc h ILE 502 Cb 1.31 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1upc h ILE 502 CO 0.10 0.28 -0.95 1.23 0.00 0.00 0.00 178.15 178.81 1upc h GLY 503 N 0.44 0.00 0.00 5.37 0.00 -1.27 -3.40 103.07 104.21 1upc h GLY 503 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1upc h GLY 503 CO 0.01 0.00 -0.20 1.42 0.00 0.00 0.00 176.54 177.77 1upc n HIS 504 N -2.79 0.00 -3.86 5.60 8.25 0.07 -5.05 115.22 117.44 1upc n HIS 504 Ca -0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.16 1upc n HIS 504 Cb 0.61 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.76 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 -0.48 -2.34 -3.75 4.41 -0.00 -0.65 -4.97 115.22 107.44 1upc n HIS 505 Ca 0.00 0.91 -0.02 0.00 -0.00 0.00 0.00 57.72 58.61 1upc n HIS 505 Cb 0.00 -4.14 -0.01 0.00 -0.00 0.00 0.00 29.99 25.84 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 -6.53 1.05 0.17 -0.41 1.70 -1.26 -5.00 118.95 108.68 1upc s ARG 506 Ca 0.59 -0.60 0.04 0.00 -0.47 0.00 0.00 55.73 55.30 1upc s ARG 506 Cb -0.29 0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 34.40 1upc s ARG 506 CO 0.82 -0.48 0.24 -1.12 -1.08 0.00 0.00 175.30 173.67 1upc s SER 507 N -3.03 5.99 -0.28 -2.89 0.01 -1.26 -3.64 113.70 108.60 1upc s SER 507 Ca 0.14 0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.42 1upc s SER 507 Cb -0.00 -1.70 0.09 0.00 0.21 0.00 0.00 66.02 64.61 1upc s SER 507 CO 0.02 0.03 0.06 -2.28 0.41 0.00 0.00 173.24 171.48 1upc s HIS 508 N -1.81 1.81 0.29 2.43 2.46 -1.26 -5.06 115.29 114.16 1upc s HIS 508 Ca 0.33 -1.66 0.00 0.00 0.47 0.00 0.00 55.06 54.20 1upc s HIS 508 Cb -0.10 -1.65 0.44 0.00 -0.13 0.00 0.00 32.58 31.14 1upc s HIS 508 CO 0.27 -0.82 1.83 -0.44 -2.47 0.00 0.00 174.74 173.10 1upc h ASP 509 N 8.07 0.70 -0.26 9.88 3.32 -1.98 -2.59 116.42 133.56 1upc h ASP 509 Ca -0.14 -0.13 0.07 0.00 0.02 0.00 0.00 57.03 56.85 1upc h ASP 509 Cb 1.04 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 1upc h ASP 509 CO 0.44 0.72 0.24 -0.65 -1.72 0.00 0.00 179.24 178.27 1upc h PRO 510 N 0.72 0.00 -0.01 3.56 0.11 -1.97 0.16 132.00 134.57 1upc h PRO 510 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1upc h PRO 510 Cb 0.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1upc h PRO 510 CO 0.00 0.00 -0.23 0.00 -0.21 0.00 0.00 178.00 177.57 1upc n ALA 511 N -2.41 3.02 -0.16 -0.75 0.00 -0.98 -4.60 120.51 114.63 1upc n ALA 511 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1upc n ALA 511 Cb 0.39 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.67 0.00 -3.82 0.00 0.24 -0.76 -4.97 118.33 108.34 1upc n VAL 512 Ca 0.13 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.08 1upc n VAL 512 Cb 0.34 0.50 -0.09 0.00 -1.47 0.00 0.00 33.84 33.13 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 0.00 4.11 0.33 7.34 -0.14 0.48 -0.97 119.74 130.89 1upc s LYS 513 Ca 0.00 -0.26 0.07 0.00 -1.36 0.00 0.00 55.97 54.42 1upc s LYS 513 Cb 0.00 -3.35 -0.02 0.00 -1.68 0.00 0.00 37.83 32.78 1upc s LYS 513 CO 0.00 0.30 0.35 -0.06 -0.76 0.00 0.00 175.35 175.17 1upc s PHE 514 N 0.35 3.01 0.10 3.18 0.08 -0.65 -4.87 117.98 119.18 1upc s PHE 514 Ca 0.06 -0.25 -0.01 0.00 0.12 0.00 0.00 56.93 56.85 1upc s PHE 514 Cb -0.11 -1.82 0.02 0.00 -0.57 0.00 0.00 43.02 40.53 1upc s PHE 514 CO -0.01 0.16 0.13 0.41 -0.10 0.00 0.00 175.22 175.81 1upc n GLY 515 N -1.45 -0.54 3.73 4.36 0.00 -1.26 -4.77 105.19 105.26 1upc n GLY 515 Ca -0.02 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 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 -3.11 2.94 -0.08 -0.02 0.00 -1.26 -4.90 107.32 100.88 1upc s GLY 516 Ca 0.08 0.66 0.03 0.00 0.00 0.00 0.00 44.72 45.48 1upc s GLY 516 CO 0.05 1.54 -0.16 0.14 0.00 0.00 0.00 173.10 174.68 1upc s VAL 517 N -0.04 1.44 -0.69 1.40 1.01 -1.26 -5.08 120.40 117.17 1upc s VAL 517 Ca 0.48 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.66 1upc s VAL 517 Cb -0.25 -1.29 0.16 0.00 0.00 0.00 0.00 36.38 34.99 1upc s VAL 517 CO 0.31 0.42 0.70 -0.62 0.00 0.00 0.00 175.10 175.92 1upc s ASP 518 N 0.67 6.43 0.45 3.32 2.15 -1.26 -4.87 116.67 123.56 1upc s ASP 518 Ca -0.14 -2.05 0.29 0.00 0.43 0.00 0.00 52.55 51.09 1upc s ASP 518 Cb -0.16 -2.25 1.06 0.00 -0.30 0.00 0.00 42.92 41.27 1upc s ASP 518 CO 0.04 -0.84 1.85 -0.26 -0.17 0.00 0.00 175.17 175.78 1upc h PHE 519 N 8.57 0.00 0.10 -5.34 0.04 -1.98 -0.77 116.94 117.56 1upc h PHE 519 Ca -0.11 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.65 1upc h PHE 519 Cb 1.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.22 1upc h PHE 519 CO 0.90 0.00 -0.05 0.28 -0.60 0.00 0.00 178.31 178.85 1upc h VAL 520 N 0.00 1.07 -0.19 -0.55 2.07 -1.91 -0.57 116.25 116.17 1upc h VAL 520 Ca 0.00 -0.64 -0.11 0.00 0.82 0.00 0.00 66.70 66.76 1upc h VAL 520 Cb 0.60 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1upc h VAL 520 CO 0.00 0.16 -0.37 0.00 0.02 0.00 0.00 177.57 177.38 1upc h ALA 521 N 0.44 1.01 -0.39 1.67 0.00 -1.88 -2.45 119.26 117.67 1upc h ALA 521 Ca -0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1upc h ALA 521 Cb 0.36 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1upc h ALA 521 CO 0.02 0.60 0.21 1.25 0.00 0.00 0.00 179.25 181.34 1upc h LEU 522 N 0.35 0.49 -0.51 0.00 5.85 -1.11 0.28 115.31 120.67 1upc h LEU 522 Ca 0.04 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1upc h LEU 522 Cb 0.81 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1upc h LEU 522 CO 0.07 0.44 0.33 0.00 -0.34 0.00 0.00 178.44 178.94 1upc h ALA 523 N 1.07 0.64 -0.33 1.25 0.00 -0.97 -2.92 119.26 118.01 1upc h ALA 523 Ca 0.14 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1upc h ALA 523 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1upc h ALA 523 CO -0.02 0.09 -0.32 0.93 0.00 0.00 0.00 179.25 179.93 1upc h GLU 524 N 0.68 0.71 -0.06 0.00 5.08 -0.98 -0.74 114.58 119.26 1upc h GLU 524 Ca 0.18 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1upc h GLU 524 Cb -0.07 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1upc h GLU 524 CO -0.04 0.93 0.19 0.00 -1.00 0.00 0.00 179.01 179.09 1upc h ALA 525 N 1.04 1.39 -0.11 3.43 0.00 -0.77 -1.97 119.26 122.28 1upc h ALA 525 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1upc h ALA 525 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1upc h ALA 525 CO 0.07 -0.22 0.00 0.09 0.00 0.00 0.00 179.25 179.19 1upc n ASN 526 N -3.25 3.05 0.00 0.00 3.02 -0.69 -4.96 115.26 112.44 1upc n ASN 526 Ca -0.01 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 1upc n ASN 526 Cb 0.27 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 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 1.34 0.67 3.07 7.41 0.00 -0.74 -4.24 105.19 112.70 1upc n GLY 527 Ca 0.15 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 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 1.82 0.60 1.61 1.01 -0.37 -4.85 120.40 118.22 1upc s VAL 528 Ca 0.00 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 60.97 1upc s VAL 528 Cb 0.00 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1upc s VAL 528 CO 0.00 0.47 1.21 -1.81 0.00 0.00 0.00 175.10 174.97 1upc s ASP 529 N 1.38 5.12 0.11 3.32 1.01 -1.26 -2.25 116.67 124.10 1upc s ASP 529 Ca 0.04 2.39 -0.19 0.00 0.71 0.00 0.00 52.55 55.50 1upc s ASP 529 Cb -0.13 -2.60 0.05 0.00 1.01 0.00 0.00 42.92 41.25 1upc s ASP 529 CO -0.11 -1.64 0.47 0.00 0.21 0.00 0.00 175.17 174.09 1upc s ALA 530 N -1.62 -1.15 0.14 5.23 0.00 -1.26 -1.56 121.76 121.53 1upc s ALA 530 Ca 0.77 0.23 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 1upc s ALA 530 Cb -0.30 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.46 1upc s ALA 530 CO 0.34 -0.62 0.31 -0.08 0.00 0.00 0.00 175.76 175.71 1upc s THR 531 N -3.38 0.09 -0.05 0.00 -1.32 -0.28 -4.96 115.64 105.74 1upc s THR 531 Ca 0.00 -1.08 -0.03 0.00 -1.21 0.00 0.00 61.69 59.37 1upc s THR 531 Cb 0.01 -1.51 -0.04 0.00 -1.51 0.00 0.00 72.50 69.44 1upc s THR 531 CO -0.09 -0.39 0.11 -0.60 -2.21 0.00 0.00 174.62 171.44 1upc s ARG 532 N -3.89 3.24 -0.07 7.08 3.52 -1.26 -1.83 118.95 125.75 1upc s ARG 532 Ca 0.09 -0.33 -0.03 0.00 -0.13 0.00 0.00 55.73 55.33 1upc s ARG 532 Cb 0.03 -2.99 0.04 0.00 -1.56 0.00 0.00 34.95 30.47 1upc s ARG 532 CO -0.06 0.70 0.14 0.00 -0.81 0.00 0.00 175.30 175.27 1upc s ALA 533 N -1.12 -0.19 -0.26 6.12 0.00 -0.58 -4.94 121.76 120.79 1upc s ALA 533 Ca 0.20 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.78 1upc s ALA 533 Cb -0.12 -0.56 0.03 0.00 0.00 0.00 0.00 23.12 22.47 1upc s ALA 533 CO 0.10 -0.29 0.70 0.25 0.00 0.00 0.00 175.76 176.52 1upc n THR 534 N 4.59 0.26 -3.87 0.00 -2.24 -1.26 -4.15 114.28 107.62 1upc n THR 534 Ca -0.19 -0.63 -0.08 0.00 -2.27 0.00 0.00 64.05 60.88 1upc n THR 534 Cb 0.51 0.90 -0.02 0.00 -2.10 0.00 0.00 70.33 69.63 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 -0.40 -0.18 0.30 3.42 2.20 -1.26 -4.36 114.94 114.65 1upc s ASN 535 Ca 0.03 -0.74 0.05 0.00 -0.94 0.00 0.00 52.86 51.26 1upc s ASN 535 Cb 0.02 0.74 0.75 0.00 -2.00 0.00 0.00 41.25 40.76 1upc s ASN 535 CO 0.03 -1.39 1.74 0.03 -2.94 0.00 0.00 177.10 174.56 1upc h ARG 536 N 2.02 0.57 0.10 3.55 3.08 -1.96 -1.14 114.38 120.61 1upc h ARG 536 Ca -0.22 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 1upc h ARG 536 Cb 1.25 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1upc h ARG 536 CO 0.27 0.38 -0.05 1.49 -1.07 0.00 0.00 179.97 180.99 1upc h GLU 537 N 0.59 -0.13 -0.72 0.04 4.81 -1.99 -1.83 114.58 115.34 1upc h GLU 537 Ca 0.58 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.77 1upc h GLU 537 Cb 1.00 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 1upc h GLU 537 CO -0.45 0.32 0.26 0.93 -0.73 0.00 0.00 179.01 179.35 1upc h GLU 538 N -0.66 1.10 -0.62 1.92 5.08 -1.91 -2.28 114.58 117.21 1upc h GLU 538 Ca -0.01 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1upc h GLU 538 Cb 0.52 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1upc h GLU 538 CO 0.02 0.92 0.29 1.25 -1.00 0.00 0.00 179.01 180.50 1upc h LEU 539 N 1.05 0.78 -0.21 1.33 5.85 -1.26 -0.29 115.31 122.56 1upc h LEU 539 Ca 0.24 -0.08 -0.22 0.00 0.84 0.00 0.00 57.88 58.66 1upc h LEU 539 Cb 0.25 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.09 1upc h LEU 539 CO -0.01 0.67 -0.79 -0.07 -0.34 0.00 0.00 178.44 177.89 1upc h LEU 540 N 0.87 0.82 -0.85 2.25 3.38 -1.03 -1.43 115.31 119.32 1upc h LEU 540 Ca 0.21 -0.55 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 1upc h LEU 540 Cb 0.09 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1upc h LEU 540 CO -0.03 1.34 0.18 0.00 0.09 0.00 0.00 178.44 180.02 1upc h ALA 541 N 0.64 1.06 -0.21 1.53 0.00 -1.26 -2.03 119.26 119.00 1upc h ALA 541 Ca -0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1upc h ALA 541 Cb 1.41 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1upc h ALA 541 CO 0.16 0.63 0.06 0.00 0.00 0.00 0.00 179.25 180.09 1upc h ALA 542 N 1.20 0.27 -0.19 0.00 0.00 -0.90 -1.10 119.26 118.53 1upc h ALA 542 Ca 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1upc h ALA 542 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1upc h ALA 542 CO -0.00 -0.09 0.06 -0.07 0.00 0.00 0.00 179.25 179.15 1upc h LEU 543 N 0.15 0.27 -1.29 0.00 3.38 -1.26 -1.08 115.31 115.48 1upc h LEU 543 Ca 0.07 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1upc h LEU 543 Cb 0.26 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1upc h LEU 543 CO -0.00 0.39 0.12 0.03 0.09 0.00 0.00 178.44 179.07 1upc h ARG 544 N 0.14 0.61 0.38 1.13 3.08 -1.36 -0.17 114.38 118.18 1upc h ARG 544 Ca 0.06 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1upc h ARG 544 Cb 0.21 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1upc h ARG 544 CO -0.00 0.54 -0.18 -0.22 -1.07 0.00 0.00 179.97 179.04 1upc h LYS 545 N 0.60 -0.49 -0.79 0.04 3.64 -1.05 -3.10 116.57 115.43 1upc h LYS 545 Ca 0.14 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.74 1upc h LYS 545 Cb 0.19 0.11 -0.13 0.00 -0.41 0.00 0.00 32.23 31.99 1upc h LYS 545 CO -0.01 -0.20 0.08 0.78 -2.27 0.00 0.00 179.45 177.83 1upc h GLY 546 N -0.74 1.00 2.00 5.01 0.00 -0.91 -1.40 103.07 108.03 1upc h GLY 546 Ca -0.05 0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 1upc h GLY 546 CO 0.09 -0.30 -0.31 0.00 0.00 0.00 0.00 176.54 176.01 1upc h ALA 547 N 1.72 1.48 -0.00 3.60 0.00 -1.01 -2.85 119.26 122.20 1upc h ALA 547 Ca 0.45 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1upc h ALA 547 Cb 0.83 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1upc h ALA 547 CO -0.65 0.39 -0.89 0.39 0.00 0.00 0.00 179.25 178.49 1upc n GLU 548 N -4.17 0.07 0.24 0.00 1.02 -0.86 -4.50 120.64 112.45 1upc n GLU 548 Ca -0.02 -0.05 0.10 0.00 -0.02 0.00 0.00 57.16 57.17 1upc n GLU 548 Cb 0.36 -1.50 0.62 0.00 -0.02 0.00 0.00 31.44 30.90 1upc n GLU 548 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1upc h LEU 549 N 0.13 0.00 2.18 -4.62 5.85 -1.02 -3.46 115.31 114.37 1upc h LEU 549 Ca 0.00 0.00 -0.42 0.00 0.84 0.00 0.00 57.88 58.30 1upc h LEU 549 Cb 0.51 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.46 1upc h LEU 549 CO 0.00 0.17 -0.48 0.61 -0.34 0.00 0.00 178.44 178.40 1upc n GLY 550 N -0.60 0.52 3.29 3.75 0.00 -1.26 -4.96 105.19 105.94 1upc n GLY 550 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1upc n GLY 550 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upc s ARG 551 N -4.53 0.90 0.73 1.61 0.52 -1.26 -4.85 118.95 112.06 1upc s ARG 551 Ca 0.00 -0.48 -0.14 0.00 -0.52 0.00 0.00 55.73 54.59 1upc s ARG 551 Cb 0.00 0.40 0.04 0.00 0.52 0.00 0.00 34.95 35.90 1upc s ARG 551 CO 0.00 -0.31 1.15 -1.25 0.02 0.00 0.00 175.30 174.92 1upc s PRO 552 N -2.72 2.26 -0.08 3.54 0.04 -1.25 -4.57 135.00 132.22 1upc s PRO 552 Ca -0.04 1.55 -0.20 0.00 0.04 0.00 0.00 61.00 62.35 1upc s PRO 552 Cb -0.00 -1.87 0.04 0.00 0.04 0.00 0.00 34.50 32.71 1upc s PRO 552 CO -0.04 -1.70 0.47 0.12 0.04 0.00 0.00 177.00 175.89 1upc s PHE 553 N -2.28 -0.43 0.03 0.56 5.36 -0.89 -4.15 117.98 116.18 1upc s PHE 553 Ca 0.69 0.86 0.06 0.00 -0.96 0.00 0.00 56.93 57.59 1upc s PHE 553 Cb -0.24 0.21 -0.02 0.00 -0.34 0.00 0.00 43.02 42.63 1upc s PHE 553 CO 0.46 -0.41 -0.17 -1.17 -1.46 0.00 0.00 175.22 172.48 1upc s LEU 554 N -0.74 2.14 -0.12 6.12 0.20 -0.60 -1.56 118.68 124.12 1upc s LEU 554 Ca -0.08 -0.45 0.00 0.00 0.69 0.00 0.00 54.13 54.28 1upc s LEU 554 Cb -0.03 -0.79 0.02 0.00 -0.43 0.00 0.00 46.19 44.96 1upc s LEU 554 CO 0.05 0.11 -0.10 -0.63 -0.29 0.00 0.00 176.35 175.49 1upc s ILE 555 N -0.74 1.21 -0.17 6.68 1.01 0.10 -1.12 121.20 128.17 1upc s ILE 555 Ca 0.05 -0.41 -0.17 0.00 0.00 0.00 0.00 60.65 60.12 1upc s ILE 555 Cb -0.08 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 1upc s ILE 555 CO 0.01 0.40 0.44 -0.70 0.00 0.00 0.00 174.94 175.08 1upc s GLU 556 N 1.55 4.25 -0.17 2.79 2.12 -0.76 -0.42 118.70 128.06 1upc s GLU 556 Ca 0.03 0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.69 1upc s GLU 556 Cb -0.13 -3.49 0.03 0.00 0.26 0.00 0.00 34.13 30.79 1upc s GLU 556 CO -0.08 0.04 -0.16 0.08 -0.54 0.00 0.00 175.26 174.60 1upc s VAL 557 N 1.04 1.78 0.46 3.70 1.01 -0.37 -1.53 120.40 126.49 1upc s VAL 557 Ca 0.22 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 1upc s VAL 557 Cb -0.15 -1.67 -0.08 0.00 0.00 0.00 0.00 36.38 34.49 1upc s VAL 557 CO 0.09 0.43 1.12 -2.16 0.00 0.00 0.00 175.10 174.58 1upc s PRO 558 N 1.39 3.79 0.16 2.72 0.04 -1.26 -1.71 135.00 140.13 1upc s PRO 558 Ca 0.04 1.65 -0.06 0.00 0.04 0.00 0.00 61.00 62.66 1upc s PRO 558 Cb -0.14 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 32.05 1upc s PRO 558 CO -0.11 -0.50 0.22 0.14 0.04 0.00 0.00 177.00 176.79 1upc s VAL 559 N -1.65 0.07 0.26 -0.36 -7.23 -0.22 -2.05 120.40 109.22 1upc s VAL 559 Ca 0.64 -1.58 -0.01 0.00 -1.81 0.00 0.00 61.98 59.22 1upc s VAL 559 Cb -0.25 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.70 1upc s VAL 559 CO 0.30 -0.31 0.28 0.20 -0.31 0.00 0.00 175.10 175.26 1upc s ASN 560 N -3.01 0.56 0.00 4.85 -0.87 -1.12 -4.39 114.94 110.97 1upc s ASN 560 Ca 0.21 -1.41 0.00 0.00 -1.57 0.00 0.00 52.86 50.09 1upc s ASN 560 Cb 0.05 0.50 0.00 0.00 -0.02 0.00 0.00 41.25 41.77 1upc s ASN 560 CO 0.02 -1.01 0.00 -1.22 -2.57 0.00 0.00 177.10 172.31 1upc n TYR 561 N -0.41 -0.00 -3.20 2.20 4.01 -1.26 -4.59 117.16 113.91 1upc n TYR 561 Ca 0.02 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.72 1upc n TYR 561 Cb 0.64 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 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 -3.00 -7.24 -4.83 7.72 8.00 -1.26 -5.00 116.55 110.94 1upc n ASP 562 Ca 0.00 -0.24 -0.34 0.00 0.71 0.00 0.00 54.79 54.92 1upc n ASP 562 Cb 0.47 -4.62 -0.06 0.00 -0.02 0.00 0.00 41.12 36.89 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 -2.99 3.40 -0.16 1.24 -0.12 -1.26 -5.09 117.98 113.01 1upc s PHE 563 Ca 0.00 0.29 0.00 0.00 -0.05 0.00 0.00 56.93 57.18 1upc s PHE 563 Cb -0.00 -1.79 -0.00 0.00 -0.63 0.00 0.00 43.02 40.59 1upc s PHE 563 CO 0.78 0.60 -0.15 -0.65 -0.05 0.00 0.00 175.22 175.75 1upc s GLN 564 N -1.68 3.23 0.00 1.99 -1.52 -1.26 -5.03 119.66 115.39 1upc s GLN 564 Ca 0.23 -0.74 0.10 0.00 -1.95 0.00 0.00 55.36 53.00 1upc s GLN 564 Cb -0.12 -2.64 0.60 0.00 -0.22 0.00 0.00 33.01 30.63 1upc s GLN 564 CO 0.14 0.01 1.04 -0.35 -0.25 0.00 0.00 175.29 175.88 1upc n PRO 565 N 4.07 0.32 0.12 2.91 -0.04 -1.26 -3.30 135.00 137.83 1upc n PRO 565 Ca -0.19 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.35 1upc n PRO 565 Cb 0.52 -1.48 0.03 0.00 -0.04 0.00 0.00 33.50 32.52 1upc n PRO 565 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1upc h GLY 566 N 1.63 0.00 -2.01 0.55 0.00 -1.96 -3.36 103.07 97.92 1upc h GLY 566 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1upc h GLY 566 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1upc n GLY 567 N 1.21 1.56 1.50 4.60 0.00 -1.21 -4.44 105.19 108.42 1upc n GLY 567 Ca -0.01 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 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 0.88 1.73 0.18 1.61 3.72 -1.26 -2.17 117.46 122.15 1upc n PHE 568 Ca 0.17 -1.97 0.03 0.00 -0.05 0.00 0.00 57.45 55.62 1upc n PHE 568 Cb 0.51 -0.50 0.37 0.00 -0.94 0.00 0.00 39.48 38.92 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 1.54 0.04 2.00 1.37 0.00 -1.87 -3.07 103.07 103.08 1upc h GLY 569 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1upc h GLY 569 CO 0.59 0.03 0.00 0.00 0.00 0.00 0.00 176.54 177.16 1upc h ALA 570 N 1.64 1.00 0.00 3.60 0.00 -1.85 -2.82 119.26 120.84 1upc h ALA 570 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1upc h ALA 570 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1upc h ALA 570 CO 0.04 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.57 1upc n LEU 571 N -2.81 0.00 0.00 0.00 4.77 -1.16 -4.94 117.00 112.86 1upc n LEU 571 Ca -0.02 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1upc n LEU 571 Cb 0.09 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1upc n LEU 571 CO 0.18 -0.13 0.21 -1.54 -1.33 0.00 0.00 177.39 174.78