#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 1.63 0.45 0.52 -1.32 -1.26 -4.49 115.64 111.16 1upc s THR 13 Ca 0.00 -2.00 0.25 0.00 -1.21 0.00 0.00 61.69 58.73 1upc s THR 13 Cb 0.00 -2.69 0.28 0.00 -1.51 0.00 0.00 72.50 68.57 1upc s THR 13 CO 0.00 0.00 2.08 0.00 -2.21 0.00 0.00 174.62 174.49 1upc h ALA 14 N 1.66 1.41 -0.15 11.08 0.00 -1.22 -1.77 119.26 130.27 1upc h ALA 14 Ca -0.44 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.38 1upc h ALA 14 Cb 1.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1upc h ALA 14 CO 0.77 0.15 0.07 0.00 0.00 0.00 0.00 179.25 180.24 1upc h ALA 15 N 1.88 0.18 -0.25 0.00 0.00 -1.39 -0.14 119.26 119.53 1upc h ALA 15 Ca -0.00 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1upc h ALA 15 Cb 0.29 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1upc h ALA 15 CO 0.02 -0.37 0.03 1.25 0.00 0.00 0.00 179.25 180.18 1upc h HIS 16 N 0.15 0.05 -0.58 0.00 6.17 -1.66 -2.50 115.15 116.79 1upc h HIS 16 Ca 0.06 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.16 1upc h HIS 16 Cb 0.02 0.01 -0.03 0.00 2.52 0.00 0.00 27.41 29.94 1upc h HIS 16 CO -0.10 0.00 0.35 0.00 0.71 0.00 0.00 177.93 178.89 1upc h ALA 17 N 1.20 1.52 0.40 5.26 0.00 -1.16 -1.22 119.26 125.27 1upc h ALA 17 Ca 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1upc h ALA 17 Cb 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1upc h ALA 17 CO -0.17 0.42 -0.19 1.25 0.00 0.00 0.00 179.25 180.55 1upc h LEU 18 N 0.80 -0.46 -1.24 0.00 5.85 -0.81 -1.37 115.31 118.07 1upc h LEU 18 Ca 0.21 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1upc h LEU 18 Cb -0.03 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1upc h LEU 18 CO -0.04 -0.14 0.09 -0.07 -0.34 0.00 0.00 178.44 177.94 1upc h LEU 19 N -0.81 0.56 -0.35 2.25 3.38 -1.38 -1.58 115.31 117.39 1upc h LEU 19 Ca -0.06 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1upc h LEU 19 Cb 0.54 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1upc h LEU 19 CO 0.09 0.57 0.04 -1.28 0.09 0.00 0.00 178.44 177.95 1upc h SER 20 N 0.59 0.58 0.17 -0.43 0.87 -1.17 -1.30 113.55 112.86 1upc h SER 20 Ca 0.14 -0.28 -0.17 0.00 -1.23 0.00 0.00 61.79 60.24 1upc h SER 20 Cb 0.24 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1upc h SER 20 CO -0.00 0.71 -0.66 -0.09 -0.53 0.00 0.00 176.83 176.26 1upc h ARG 21 N 0.43 0.45 -0.58 2.24 9.65 -0.89 -1.13 114.38 124.56 1upc h ARG 21 Ca 0.10 -0.34 0.05 0.00 -1.10 0.00 0.00 59.98 58.70 1upc h ARG 21 Cb 0.39 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.98 1upc h ARG 21 CO 0.01 0.96 0.31 -0.07 2.80 0.00 0.00 179.97 183.98 1upc h LEU 22 N 0.33 0.46 -1.03 3.80 3.38 -1.26 -2.26 115.31 118.72 1upc h LEU 22 Ca -0.02 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1upc h LEU 22 Cb 1.22 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 1upc h LEU 22 CO 0.12 0.31 0.65 -0.09 0.09 0.00 0.00 178.44 179.52 1upc h ARG 23 N 0.59 1.26 -0.04 1.13 1.12 -0.82 -1.71 114.38 115.91 1upc h ARG 23 Ca 0.26 -0.08 -0.01 0.00 -1.11 0.00 0.00 59.98 59.04 1upc h ARG 23 Cb 0.15 -0.28 -0.00 0.00 -0.01 0.00 0.00 29.97 29.82 1upc h ARG 23 CO -0.16 0.84 -0.03 -0.44 -3.11 0.00 0.00 179.97 177.06 1upc h ASP 24 N 1.30 0.05 -0.36 -3.80 3.32 -0.71 -1.26 116.42 114.96 1upc h ASP 24 Ca 0.38 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1upc h ASP 24 Cb -0.08 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1upc h ASP 24 CO -0.10 0.09 0.00 1.41 -1.72 0.00 0.00 179.24 178.92 1upc n HIS 25 N -4.47 0.76 -0.37 4.55 8.25 -0.71 -4.78 115.22 118.44 1upc n HIS 25 Ca -0.02 -0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 1upc n HIS 25 Cb 0.14 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.12 1upc n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1upc n GLY 26 N 0.81 0.74 3.69 -1.41 0.00 -0.47 -4.70 105.19 103.85 1upc n GLY 26 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1upc n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upc s VAL 27 N -2.77 3.53 -0.39 1.61 1.01 -0.79 -4.89 120.40 117.70 1upc s VAL 27 Ca 0.00 0.96 0.14 0.00 0.00 0.00 0.00 61.98 63.08 1upc s VAL 27 Cb 0.00 -3.62 -0.19 0.00 0.00 0.00 0.00 36.38 32.58 1upc s VAL 27 CO 0.00 0.01 0.49 0.61 0.00 0.00 0.00 175.10 176.20 1upc n GLY 28 N 3.69 -0.49 3.00 4.51 0.00 -1.26 -4.05 105.19 110.59 1upc n GLY 28 Ca 0.13 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 1upc n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upc s LYS 29 N -2.64 0.46 -0.22 1.61 -0.14 -1.26 -1.30 119.74 116.25 1upc s LYS 29 Ca 0.01 -0.41 0.02 0.00 -1.36 0.00 0.00 55.97 54.23 1upc s LYS 29 Cb 0.10 -0.36 0.04 0.00 -1.68 0.00 0.00 37.83 35.94 1upc s LYS 29 CO 0.60 0.09 -0.14 0.08 -0.76 0.00 0.00 175.35 175.22 1upc s VAL 30 N -0.61 2.03 0.23 3.17 1.01 -0.49 -4.29 120.40 121.46 1upc s VAL 30 Ca -0.03 -1.28 -0.16 0.00 0.00 0.00 0.00 61.98 60.51 1upc s VAL 30 Cb -0.05 -2.03 -0.08 0.00 0.00 0.00 0.00 36.38 34.22 1upc s VAL 30 CO 0.00 0.20 0.66 -0.36 0.00 0.00 0.00 175.10 175.60 1upc s PHE 31 N 1.22 3.53 -4.00 5.22 0.40 -0.96 -0.84 117.98 122.55 1upc s PHE 31 Ca -0.03 1.19 0.00 0.00 -0.60 0.00 0.00 56.93 57.49 1upc s PHE 31 Cb -0.17 -2.49 0.00 0.00 0.51 0.00 0.00 43.02 40.87 1upc s PHE 31 CO -0.08 0.28 0.00 0.41 0.70 0.00 0.00 175.22 176.53 1upc n GLY 32 N 0.32 -2.14 2.85 4.36 0.00 -0.77 -0.23 105.19 109.58 1upc n GLY 32 Ca -0.01 -1.22 -0.24 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.37 0.71 -0.05 1.61 1.01 -1.02 -0.91 120.40 119.39 1upc s VAL 33 Ca 0.00 -0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.71 1upc s VAL 33 Cb 0.00 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 1upc s VAL 33 CO 0.00 0.31 0.43 -0.69 0.00 0.00 0.00 175.10 175.15 1upc s VAL 34 N 1.68 5.08 0.00 2.92 1.01 -1.26 -3.65 120.40 126.18 1upc s VAL 34 Ca 0.02 0.88 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1upc s VAL 34 Cb -0.13 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1upc s VAL 34 CO -0.05 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1upc n GLY 35 N 2.42 3.26 0.20 4.51 0.00 -1.26 -4.94 105.19 109.38 1upc n GLY 35 Ca -0.11 -1.90 0.14 0.00 0.00 0.00 0.00 46.02 44.15 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 0.19 114.38 114.29 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 -2.48 0.00 0.27 0.08 0.00 -1.26 -2.36 120.64 114.89 1upc n GLU 37 Ca -0.01 0.32 0.18 0.00 0.00 0.00 0.00 57.16 57.66 1upc n GLU 37 Cb 0.11 -1.53 0.93 0.00 0.00 0.00 0.00 31.44 30.95 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 1.84 1.49 0.00 -1.84 0.00 -0.82 -0.18 119.26 119.75 1upc h ALA 38 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1upc h ALA 38 Cb 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1upc h ALA 38 CO 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 179.25 178.91 1upc h ALA 39 N 1.71 1.10 0.00 0.00 0.00 -1.74 -3.09 119.26 117.24 1upc h ALA 39 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1upc h ALA 39 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1upc h ALA 39 CO -0.00 0.13 -1.66 0.43 0.00 0.00 0.00 179.25 178.15 1upc n SER 40 N -3.36 1.30 -3.67 0.00 7.64 -0.15 -4.96 113.62 110.42 1upc n SER 40 Ca -0.01 -0.06 -0.15 0.00 1.01 0.00 0.00 58.87 59.66 1upc n SER 40 Cb 0.29 1.68 -0.14 0.00 -1.01 0.00 0.00 64.21 65.03 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 -3.07 -0.33 -0.01 0.44 2.07 -0.78 -4.45 121.20 115.07 1upc s ILE 41 Ca -0.05 0.31 -0.04 0.00 -1.41 0.00 0.00 60.65 59.46 1upc s ILE 41 Cb 0.10 -0.37 -0.28 0.00 0.13 0.00 0.00 42.46 42.04 1upc s ILE 41 CO 0.66 0.13 0.80 -0.07 -1.91 0.00 0.00 174.94 174.55 1upc h LEU 42 N 8.26 0.42 0.00 8.50 3.38 -1.89 -3.38 115.31 130.60 1upc h LEU 42 Ca -0.15 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1upc h LEU 42 Cb 1.12 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1upc h LEU 42 CO 0.15 1.50 0.00 0.49 0.09 0.00 0.00 178.44 180.68 1upc n PHE 43 N -3.46 0.00 0.05 1.13 3.72 -1.26 -4.93 117.46 112.70 1upc n PHE 43 Ca -0.18 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.30 1upc n PHE 43 Cb 1.05 -0.09 0.18 0.00 -0.94 0.00 0.00 39.48 39.68 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 0.34 3.05 0.25 4.37 5.75 -1.26 -4.62 116.55 124.43 1upc n ASP 44 Ca 0.00 -1.90 0.10 0.00 -0.01 0.00 0.00 54.79 52.99 1upc n ASP 44 Cb 0.00 -0.23 0.66 0.00 -1.03 0.00 0.00 41.12 40.52 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 3.08 0.00 -3.79 0.11 3.07 -1.92 -3.41 114.58 111.72 1upc h GLU 45 Ca 0.00 0.00 -0.46 0.00 -0.50 0.00 0.00 59.36 58.40 1upc h GLU 45 Cb 0.79 0.00 -0.38 0.00 -0.84 0.00 0.00 28.75 28.32 1upc h GLU 45 CO 0.00 0.14 -0.77 0.08 -1.40 0.00 0.00 179.01 177.05 1upc s VAL 46 N -4.35 0.52 0.29 3.13 1.01 -1.26 -5.01 120.40 114.72 1upc s VAL 46 Ca -0.03 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 1upc s VAL 46 Cb 0.14 -0.69 -0.11 0.00 0.00 0.00 0.00 36.38 35.72 1upc s VAL 46 CO 0.62 0.23 1.53 -0.70 0.00 0.00 0.00 175.10 176.78 1upc s GLU 47 N 1.91 4.17 0.00 2.72 2.12 -1.26 -2.98 118.70 125.38 1upc s GLU 47 Ca 0.04 2.49 0.00 0.00 0.36 0.00 0.00 54.97 57.86 1upc s GLU 47 Cb -0.13 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.22 1upc s GLU 47 CO -0.06 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 174.52 1upc n GLY 48 N 2.00 0.23 2.97 -1.50 0.00 -1.26 -5.05 105.19 102.58 1upc n GLY 48 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 1.50 0.08 -0.61 2.07 -1.16 -4.45 121.20 116.63 1upc s ILE 49 Ca 0.00 -0.85 0.04 0.00 -1.41 0.00 0.00 60.65 58.43 1upc s ILE 49 Cb 0.00 -1.57 -0.04 0.00 0.13 0.00 0.00 42.46 40.98 1upc s ILE 49 CO 0.00 0.21 0.03 -1.81 -1.91 0.00 0.00 174.94 171.47 1upc s ASP 50 N 1.47 5.25 -0.00 4.50 1.01 -0.42 -4.84 116.67 123.63 1upc s ASP 50 Ca 0.00 -0.09 -0.19 0.00 0.71 0.00 0.00 52.55 52.99 1upc s ASP 50 Cb -0.15 -1.33 -0.06 0.00 1.01 0.00 0.00 42.92 42.39 1upc s ASP 50 CO -0.09 0.18 0.53 0.12 0.21 0.00 0.00 175.17 176.13 1upc s PHE 51 N -1.32 3.69 -0.38 4.23 5.36 -1.26 -1.39 117.98 126.90 1upc s PHE 51 Ca 0.27 1.12 -0.02 0.00 -0.96 0.00 0.00 56.93 57.34 1upc s PHE 51 Cb -0.12 -2.51 0.10 0.00 -0.34 0.00 0.00 43.02 40.16 1upc s PHE 51 CO 0.19 0.44 0.15 0.08 -1.46 0.00 0.00 175.22 174.62 1upc s VAL 52 N -0.45 3.08 0.07 3.12 1.01 -0.02 -4.93 120.40 122.27 1upc s VAL 52 Ca 0.28 -2.02 -0.30 0.00 0.00 0.00 0.00 61.98 59.94 1upc s VAL 52 Cb -0.18 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 1upc s VAL 52 CO 0.16 -0.60 1.14 -0.22 0.00 0.00 0.00 175.10 175.57 1upc s LEU 53 N 1.11 4.39 0.46 3.92 2.96 -1.26 -1.85 118.68 128.41 1upc s LEU 53 Ca 0.07 1.96 0.07 0.00 -0.22 0.00 0.00 54.13 56.01 1upc s LEU 53 Cb -0.22 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.88 1upc s LEU 53 CO -0.04 -0.39 0.32 0.42 -1.32 0.00 0.00 176.35 175.34 1upc s THR 54 N 0.82 2.20 -0.37 3.68 -4.23 -0.08 -4.90 115.64 112.76 1upc s THR 54 Ca 0.56 -1.51 0.23 0.00 -1.18 0.00 0.00 61.69 59.79 1upc s THR 54 Cb -0.28 -2.71 0.13 0.00 1.34 0.00 0.00 72.50 70.97 1upc s THR 54 CO 0.30 0.00 1.29 0.03 -0.54 0.00 0.00 174.62 175.70 1upc h ARG 55 N 1.07 0.00 -3.01 3.99 2.47 -1.91 -3.44 114.38 113.55 1upc h ARG 55 Ca -0.40 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.18 1upc h ARG 55 Cb 1.27 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 29.37 1upc h ARG 55 CO 0.62 0.00 -0.32 -1.58 0.56 0.00 0.00 179.97 179.25 1upc s HIS 56 N -3.28 -0.26 0.44 3.04 2.46 -1.26 -5.02 115.29 111.41 1upc s HIS 56 Ca 0.03 0.57 0.25 0.00 0.47 0.00 0.00 55.06 56.38 1upc s HIS 56 Cb 0.09 0.10 1.42 0.00 -0.13 0.00 0.00 32.58 34.06 1upc s HIS 56 CO 0.74 -0.27 2.08 0.93 -2.47 0.00 0.00 174.74 175.75 1upc h GLU 57 N 4.84 0.00 -0.42 2.88 3.07 -1.89 -2.54 114.58 120.52 1upc h GLU 57 Ca -0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 1upc h GLU 57 Cb 1.18 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.07 1upc h GLU 57 CO 0.35 0.12 0.26 0.35 -1.40 0.00 0.00 179.01 178.69 1upc h PHE 58 N 0.00 0.54 -0.96 4.33 3.57 -1.88 -2.19 116.94 120.36 1upc h PHE 58 Ca -0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1upc h PHE 58 Cb 0.29 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.79 1upc h PHE 58 CO 0.00 0.37 0.63 1.15 -2.23 0.00 0.00 178.31 178.22 1upc h THR 59 N 0.56 1.13 -0.37 4.41 2.02 -1.82 -2.05 112.91 116.79 1upc h THR 59 Ca 0.15 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1upc h THR 59 Cb -0.03 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.23 1upc h THR 59 CO -0.03 0.21 0.19 0.00 0.37 0.00 0.00 175.52 176.26 1upc h ALA 60 N 1.46 0.48 -0.51 6.16 0.00 -1.40 -1.94 119.26 123.50 1upc h ALA 60 Ca 0.39 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 1upc h ALA 60 Cb 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1upc h ALA 60 CO -0.14 0.03 -0.13 0.78 0.00 0.00 0.00 179.25 179.79 1upc h GLY 61 N 0.46 1.06 1.16 0.00 0.00 -0.90 -2.52 103.07 102.33 1upc h GLY 61 Ca 0.13 -0.87 -0.21 0.00 0.00 0.00 0.00 47.33 46.38 1upc h GLY 61 CO -0.02 0.79 -0.68 -2.08 0.00 0.00 0.00 176.54 174.55 1upc h VAL 62 N 0.87 1.28 -0.93 4.60 2.07 -1.38 -0.38 116.25 122.38 1upc h VAL 62 Ca 0.13 -1.87 -0.01 0.00 0.82 0.00 0.00 66.70 65.77 1upc h VAL 62 Cb 0.69 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 1upc h VAL 62 CO 0.05 0.60 0.55 0.00 0.02 0.00 0.00 177.57 178.79 1upc h ALA 63 N 0.60 1.22 -0.48 1.67 0.00 -1.30 0.87 119.26 121.83 1upc h ALA 63 Ca -0.03 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1upc h ALA 63 Cb 1.31 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1upc h ALA 63 CO 0.14 0.66 -0.02 0.00 0.00 0.00 0.00 179.25 180.03 1upc h ALA 64 N 1.32 0.65 -0.11 0.00 0.00 -1.27 -1.01 119.26 118.85 1upc h ALA 64 Ca 0.33 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1upc h ALA 64 Cb -0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1upc h ALA 64 CO -0.06 0.48 -0.08 0.22 0.00 0.00 0.00 179.25 179.81 1upc h ASP 65 N 0.72 -0.26 -0.29 0.00 1.82 -0.14 -1.51 116.42 116.76 1upc h ASP 65 Ca 0.13 0.06 -0.15 0.00 -0.39 0.00 0.00 57.03 56.68 1upc h ASP 65 Cb 0.54 0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.68 1upc h ASP 65 CO 0.03 -0.11 -0.39 0.58 -1.61 0.00 0.00 179.24 177.74 1upc h VAL 66 N -0.09 1.28 -0.28 2.25 2.07 -0.76 -2.03 116.25 118.68 1upc h VAL 66 Ca 0.07 -1.56 -0.05 0.00 0.82 0.00 0.00 66.70 65.98 1upc h VAL 66 Cb 0.20 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1upc h VAL 66 CO -0.16 0.52 -0.03 0.25 0.02 0.00 0.00 177.57 178.16 1upc h LEU 67 N 0.69 0.40 -0.44 2.57 5.85 -1.10 -2.29 115.31 121.00 1upc h LEU 67 Ca 0.06 -0.07 -0.17 0.00 0.84 0.00 0.00 57.88 58.54 1upc h LEU 67 Cb 0.96 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 1upc h LEU 67 CO 0.09 0.49 -0.53 0.00 -0.34 0.00 0.00 178.44 178.15 1upc h ALA 68 N 1.56 0.61 0.04 1.25 0.00 -1.02 -2.39 119.26 119.32 1upc h ALA 68 Ca 0.09 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1upc h ALA 68 Cb 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1upc h ALA 68 CO 0.01 0.68 -0.02 -0.09 0.00 0.00 0.00 179.25 179.83 1upc h ARG 69 N 0.54 -0.06 -0.14 0.00 2.43 -0.83 -1.00 114.38 115.33 1upc h ARG 69 Ca 0.02 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 1upc h ARG 69 Cb 1.10 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1upc h ARG 69 CO 0.11 0.04 -0.20 0.82 -1.51 0.00 0.00 179.97 179.23 1upc h ILE 70 N -0.14 1.36 0.00 1.20 2.04 -1.52 -3.25 117.51 117.20 1upc h ILE 70 Ca -0.01 -1.42 -0.08 0.00 1.00 0.00 0.00 64.86 64.35 1upc h ILE 70 Cb 0.12 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1upc h ILE 70 CO 0.01 0.42 -0.40 0.71 0.00 0.00 0.00 178.15 178.89 1upc h THR 71 N -0.01 0.80 -0.28 -0.27 1.35 -1.49 -3.47 112.91 109.54 1upc h THR 71 Ca 0.01 -1.75 -0.12 0.00 -0.55 0.00 0.00 66.41 64.00 1upc h THR 71 Cb 0.76 2.12 -0.05 0.00 -1.73 0.00 0.00 68.15 69.25 1upc h THR 71 CO 0.05 0.39 -0.11 0.61 -0.25 0.00 0.00 175.52 176.21 1upc n GLY 72 N 0.67 0.84 3.21 5.82 0.00 -0.38 -5.04 105.19 110.30 1upc n GLY 72 Ca 0.01 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.43 1.13 0.34 1.61 0.52 -1.21 -4.80 118.95 114.11 1upc s ARG 73 Ca 0.00 -0.91 -0.28 0.00 -0.52 0.00 0.00 55.73 54.02 1upc s ARG 73 Cb 0.00 -1.22 -0.12 0.00 0.52 0.00 0.00 34.95 34.12 1upc s ARG 73 CO 0.00 0.30 1.32 -2.30 0.02 0.00 0.00 175.30 174.64 1upc n PRO 74 N 1.70 2.18 -4.45 3.54 -0.02 -1.26 -4.38 135.00 132.30 1upc n PRO 74 Ca -0.18 0.76 -0.27 0.00 -2.02 0.00 0.00 63.50 61.80 1upc n PRO 74 Cb 0.54 -2.36 -0.07 0.00 -0.02 0.00 0.00 33.50 31.59 1upc n PRO 74 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1upc n GLN 75 N 0.63 0.62 -3.81 -0.52 1.13 -0.92 -4.61 117.38 109.90 1upc n GLN 75 Ca 0.05 -3.49 -0.13 0.00 -1.94 0.00 0.00 57.00 51.49 1upc n GLN 75 Cb 0.36 1.70 -0.13 0.00 0.11 0.00 0.00 30.24 32.28 1upc n GLN 75 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1upc s ALA 76 N -3.06 -0.26 0.25 -1.58 0.00 -1.26 -0.51 121.76 115.34 1upc s ALA 76 Ca 0.17 0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.54 1upc s ALA 76 Cb 0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 1upc s ALA 76 CO 0.12 -0.08 0.06 0.00 0.00 0.00 0.00 175.76 175.86 1upc s TRP 78 N -3.64 -0.30 0.13 0.00 -0.11 0.67 -1.56 118.94 114.13 1upc s TRP 78 Ca 0.34 0.72 -0.11 0.00 1.22 0.00 0.00 56.10 58.27 1upc s TRP 78 Cb 0.07 0.09 0.01 0.00 -1.50 0.00 0.00 33.47 32.14 1upc s TRP 78 CO 0.11 -0.16 0.30 0.00 -4.62 0.00 0.00 176.95 172.58 1upc s ALA 79 N 0.44 -0.38 0.93 5.86 0.00 -0.54 -2.44 121.76 125.63 1upc s ALA 79 Ca -0.02 -0.54 -0.14 0.00 0.00 0.00 0.00 51.96 51.26 1upc s ALA 79 Cb -0.04 0.69 0.18 0.00 0.00 0.00 0.00 23.12 23.95 1upc s ALA 79 CO -0.02 -0.61 1.28 -0.08 0.00 0.00 0.00 175.76 176.32 1upc s THR 80 N -3.88 2.02 1.00 0.00 -1.32 -1.24 -1.19 115.64 111.02 1upc s THR 80 Ca 0.09 -0.07 -0.11 0.00 -1.21 0.00 0.00 61.69 60.39 1upc s THR 80 Cb 0.03 -2.95 0.19 0.00 -1.51 0.00 0.00 72.50 68.26 1upc s THR 80 CO -0.07 0.00 1.09 -1.48 -2.21 0.00 0.00 174.62 171.95 1upc s LEU 81 N -5.79 1.94 0.00 9.08 2.34 -1.13 -1.84 118.68 123.28 1upc s LEU 81 Ca 0.72 1.75 0.00 0.00 0.06 0.00 0.00 54.13 56.67 1upc s LEU 81 Cb -0.04 -3.97 0.00 0.00 -0.56 0.00 0.00 46.19 41.61 1upc s LEU 81 CO 0.52 -3.38 0.00 0.61 -1.06 0.00 0.00 176.35 173.04 1upc n GLY 82 N 0.06 2.89 0.31 -3.48 0.00 -1.07 -1.86 105.19 102.03 1upc n GLY 82 Ca 0.07 0.30 0.20 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.12 1.61 0.13 -1.85 -0.58 132.00 131.19 1upc h PRO 83 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1upc h PRO 83 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1upc h PRO 83 CO 0.00 0.00 0.06 0.78 -0.23 0.00 0.00 178.00 178.61 1upc h GLY 84 N 0.91 0.18 0.93 1.56 0.00 -1.44 -1.74 103.07 103.47 1upc h GLY 84 Ca 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 1upc h GLY 84 CO 0.00 0.08 0.01 1.98 0.00 0.00 0.00 176.54 178.62 1upc h MET 85 N 0.08 0.66 -0.26 4.80 1.85 -0.36 -0.50 114.93 121.19 1upc h MET 85 Ca 0.04 -0.20 -0.06 0.00 -0.61 0.00 0.00 59.70 58.87 1upc h MET 85 Cb 0.10 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.05 1upc h MET 85 CO -0.01 0.75 -0.10 1.79 -0.40 0.00 0.00 176.91 178.95 1upc h THR 86 N 0.48 1.21 -0.41 -0.77 1.35 -1.42 -0.51 112.91 112.84 1upc h THR 86 Ca 0.11 -0.90 -0.11 0.00 -0.55 0.00 0.00 66.41 64.97 1upc h THR 86 Cb 0.44 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1upc h THR 86 CO 0.02 0.29 -0.17 0.78 -0.25 0.00 0.00 175.52 176.19 1upc h ASN 87 N 0.40 0.85 -0.40 5.36 4.21 -1.06 -2.79 115.58 122.15 1upc h ASN 87 Ca 0.08 -0.39 0.04 0.00 1.21 0.00 0.00 56.30 57.24 1upc h ASN 87 Cb 0.42 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.36 1upc h ASN 87 CO 0.02 1.05 0.27 0.25 -1.29 0.00 0.00 177.43 177.73 1upc h LEU 88 N 0.65 0.33 -2.07 1.61 6.46 -0.64 -3.20 115.31 118.45 1upc h LEU 88 Ca 0.09 -0.00 0.10 0.00 -0.12 0.00 0.00 57.88 57.95 1upc h LEU 88 Cb 0.72 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 1upc h LEU 88 CO 0.05 0.23 0.28 0.77 -0.62 0.00 0.00 178.44 179.16 1upc h SER 89 N 0.39 0.00 0.69 1.25 4.64 -0.81 0.21 113.55 119.91 1upc h SER 89 Ca 0.17 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.36 1upc h SER 89 Cb 0.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1upc h SER 89 CO -0.04 0.00 -0.60 0.74 -0.87 0.00 0.00 176.83 176.06 1upc h THR 90 N 0.00 1.37 -0.22 2.95 2.02 -1.69 0.17 112.91 117.50 1upc h THR 90 Ca 0.16 -2.10 -0.20 0.00 0.77 0.00 0.00 66.41 65.04 1upc h THR 90 Cb 0.73 2.15 0.01 0.00 -1.74 0.00 0.00 68.15 69.30 1upc h THR 90 CO -0.00 0.59 -0.65 1.23 0.37 0.00 0.00 175.52 177.06 1upc h GLY 91 N 1.97 0.91 0.71 2.16 0.00 -0.84 -1.74 103.07 106.24 1upc h GLY 91 Ca -0.01 -1.17 0.06 0.00 0.00 0.00 0.00 47.33 46.21 1upc h GLY 91 CO 0.08 1.04 0.47 -2.22 0.00 0.00 0.00 176.54 175.91 1upc h ILE 92 N 0.59 1.02 -0.10 2.60 2.04 -0.84 -1.51 117.51 121.32 1upc h ILE 92 Ca -0.02 -0.29 -0.09 0.00 1.00 0.00 0.00 64.86 65.45 1upc h ILE 92 Cb 1.27 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1upc h ILE 92 CO 0.14 0.16 -0.36 0.00 0.00 0.00 0.00 178.15 178.08 1upc h ALA 93 N 1.38 1.21 -0.39 1.87 0.00 -0.66 -0.69 119.26 121.98 1upc h ALA 93 Ca 0.34 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1upc h ALA 93 Cb 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1upc h ALA 93 CO -0.17 0.54 0.14 1.15 0.00 0.00 0.00 179.25 180.90 1upc h THR 94 N 0.17 1.21 -0.60 0.00 2.02 -0.56 -2.50 112.91 112.65 1upc h THR 94 Ca 0.02 -0.66 -0.06 0.00 0.77 0.00 0.00 66.41 66.48 1upc h THR 94 Cb 0.73 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1upc h THR 94 CO 0.06 0.23 0.13 -1.28 0.37 0.00 0.00 175.52 175.03 1upc h SER 95 N 0.49 0.92 -0.14 4.18 0.87 -0.85 -0.87 113.55 118.15 1upc h SER 95 Ca 0.13 -0.24 -0.20 0.00 -1.23 0.00 0.00 61.79 60.25 1upc h SER 95 Cb 0.23 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1upc h SER 95 CO -0.01 0.92 -0.65 1.62 -0.53 0.00 0.00 176.83 178.18 1upc h VAL 96 N 0.87 1.29 0.07 2.23 3.04 -1.05 -0.53 116.25 122.17 1upc h VAL 96 Ca 0.19 -1.87 -0.25 0.00 -1.01 0.00 0.00 66.70 63.76 1upc h VAL 96 Cb 0.37 1.83 -0.01 0.00 -2.01 0.00 0.00 31.29 31.46 1upc h VAL 96 CO 0.00 0.60 -1.17 -0.07 -1.01 0.00 0.00 177.57 175.92 1upc h LEU 97 N 0.55 0.24 0.00 3.16 3.38 -1.50 -3.35 115.31 117.79 1upc h LEU 97 Ca -0.02 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1upc h LEU 97 Cb 1.26 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1upc h LEU 97 CO 0.13 1.21 -1.11 0.47 0.09 0.00 0.00 178.44 179.23 1upc n ASP 98 N -3.44 0.67 -1.84 -0.43 8.00 -0.33 -4.47 116.55 114.72 1upc n ASP 98 Ca -0.06 0.17 -0.00 0.00 0.71 0.00 0.00 54.79 55.61 1upc n ASP 98 Cb 0.99 0.69 -0.00 0.00 -0.02 0.00 0.00 41.12 42.78 1upc n ASP 98 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1upc n ARG 99 N -2.44 -1.00 -3.87 -1.24 5.12 -0.24 -4.94 116.66 108.05 1upc n ARG 99 Ca 0.00 1.16 -0.11 0.00 -1.93 0.00 0.00 57.85 56.96 1upc n ARG 99 Cb 0.52 -2.22 -0.11 0.00 -1.16 0.00 0.00 32.46 29.49 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 -0.44 -0.01 -0.91 0.55 1.04 -1.03 -4.85 113.70 108.06 1upc s SER 100 Ca -0.01 -0.05 -0.25 0.00 0.48 0.00 0.00 55.95 56.13 1upc s SER 100 Cb 0.00 0.21 0.04 0.00 0.10 0.00 0.00 66.02 66.37 1upc s SER 100 CO 0.22 -0.22 1.41 -2.16 0.98 0.00 0.00 173.24 173.48 1upc s PRO 101 N -0.75 3.40 -0.12 4.02 0.04 -1.26 -2.25 135.00 138.07 1upc s PRO 101 Ca -0.08 -0.75 0.01 0.00 0.04 0.00 0.00 61.00 60.22 1upc s PRO 101 Cb -0.05 -4.91 -0.01 0.00 0.04 0.00 0.00 34.50 29.57 1upc s PRO 101 CO 0.01 -2.23 -0.16 0.08 0.04 0.00 0.00 177.00 174.73 1upc s VAL 102 N 5.49 2.77 -0.43 -0.36 1.01 -1.18 -2.16 120.40 125.52 1upc s VAL 102 Ca 0.43 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.47 1upc s VAL 102 Cb -0.03 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.24 1upc s VAL 102 CO -0.00 0.53 0.50 -0.63 0.00 0.00 0.00 175.10 175.50 1upc s ILE 103 N 0.35 5.02 -0.21 2.22 -1.09 0.34 -0.43 121.20 127.40 1upc s ILE 103 Ca -0.13 -0.29 -0.08 0.00 -2.23 0.00 0.00 60.65 57.92 1upc s ILE 103 Cb -0.16 -4.10 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 1upc s ILE 103 CO 0.07 -0.50 0.08 0.00 -1.23 0.00 0.00 174.94 173.35 1upc s ALA 104 N 2.31 3.35 -0.05 9.38 0.00 0.55 -1.81 121.76 135.49 1upc s ALA 104 Ca 0.14 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.28 1upc s ALA 104 Cb -0.17 -2.02 -0.01 0.00 0.00 0.00 0.00 23.12 20.92 1upc s ALA 104 CO 0.14 -0.09 -0.25 -0.51 0.00 0.00 0.00 175.76 175.06 1upc s LEU 105 N 0.87 2.06 -0.03 0.00 1.43 -0.60 -1.47 118.68 120.94 1upc s LEU 105 Ca 0.04 -0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 52.59 1upc s LEU 105 Cb -0.14 -1.34 0.01 0.00 0.03 0.00 0.00 46.19 44.75 1upc s LEU 105 CO 0.03 0.26 0.14 0.00 0.23 0.00 0.00 176.35 177.01 1upc s ALA 106 N -0.28 -0.35 0.73 4.21 0.00 -0.90 -1.46 121.76 123.71 1upc s ALA 106 Ca 0.00 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 51.98 1upc s ALA 106 Cb -0.12 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 22.96 1upc s ALA 106 CO 0.02 -0.14 1.09 0.00 0.00 0.00 0.00 175.76 176.73 1upc s ALA 107 N -0.69 2.38 0.05 0.00 0.00 -0.33 -0.42 121.76 122.75 1upc s ALA 107 Ca -0.08 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1upc s ALA 107 Cb -0.05 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 1upc s ALA 107 CO 0.01 -1.54 -0.07 -1.14 0.00 0.00 0.00 175.76 173.02 1upc s GLN 108 N -4.71 0.56 0.69 0.00 2.00 -0.12 -2.86 119.66 115.22 1upc s GLN 108 Ca 0.62 -0.84 -0.17 0.00 -2.00 0.00 0.00 55.36 52.96 1upc s GLN 108 Cb -0.17 -0.23 -0.11 0.00 0.80 0.00 0.00 33.01 33.30 1upc s GLN 108 CO 0.52 0.03 -0.01 0.43 -0.50 0.00 0.00 175.29 175.75 1upc n SER 109 N 1.21 -3.20 -4.51 6.67 7.64 -1.26 -1.01 113.62 119.16 1upc n SER 109 Ca -0.21 0.54 -0.50 0.00 1.01 0.00 0.00 58.87 59.70 1upc n SER 109 Cb 0.56 -0.97 -0.04 0.00 -1.01 0.00 0.00 64.21 62.74 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 0.86 0.62 -0.25 1.43 4.71 -1.26 -4.00 120.64 122.75 1upc n GLU 110 Ca 0.07 0.22 0.03 0.00 -0.01 0.00 0.00 57.16 57.47 1upc n GLU 110 Cb 0.50 -1.56 0.16 0.00 -1.01 0.00 0.00 31.44 29.52 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 2.47 0.37 0.73 1.62 4.64 -1.89 0.16 113.55 121.66 1upc h SER 111 Ca -0.40 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1upc h SER 111 Cb 1.39 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1upc h SER 111 CO 0.64 0.19 0.00 0.00 -0.87 0.00 0.00 176.83 176.79 1upc n HIS 112 N -4.93 0.31 -1.19 4.77 1.44 -1.26 -3.16 115.22 111.19 1upc n HIS 112 Ca 0.12 0.11 0.05 0.00 -2.01 0.00 0.00 57.72 55.99 1upc n HIS 112 Cb 0.33 -0.68 0.22 0.00 0.12 0.00 0.00 29.99 29.98 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 -1.77 3.02 -4.50 4.39 2.03 0.54 -4.96 116.55 115.29 1upc n ASP 113 Ca 0.04 -3.33 -0.42 0.00 0.52 0.00 0.00 54.79 51.60 1upc n ASP 113 Cb 0.24 -0.55 -0.04 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 -3.00 4.12 -0.38 5.18 1.01 -1.10 -4.78 121.20 122.27 1upc s ILE 114 Ca 0.41 0.08 0.01 0.00 0.00 0.00 0.00 60.65 61.15 1upc s ILE 114 Cb 0.35 -4.74 0.12 0.00 0.01 0.00 0.00 42.46 38.21 1upc s ILE 114 CO 0.04 -1.51 0.17 -0.36 0.00 0.00 0.00 174.94 173.28 1upc s PHE 115 N 4.63 1.83 0.31 3.97 0.08 -1.26 -5.04 117.98 122.50 1upc s PHE 115 Ca 0.29 -2.10 -0.30 0.00 0.12 0.00 0.00 56.93 54.94 1upc s PHE 115 Cb -0.13 -1.78 -0.12 0.00 -0.57 0.00 0.00 43.02 40.43 1upc s PHE 115 CO 0.14 -0.83 1.58 -2.30 -0.10 0.00 0.00 175.22 173.72 1upc n PRO 116 N 4.13 2.71 -0.95 0.24 -0.02 -1.26 -1.50 135.00 138.35 1upc n PRO 116 Ca 0.04 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 1upc n PRO 116 Cb 0.38 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 1upc n PRO 116 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1upc n ASN 117 N 1.92 -3.60 0.06 2.55 3.02 0.90 -4.75 115.26 115.35 1upc n ASN 117 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1upc n ASN 117 Cb 0.37 -1.83 0.00 0.00 -0.61 0.00 0.00 39.78 37.71 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 -0.40 0.60 -4.70 6.41 8.00 -0.56 -5.02 116.55 120.88 1upc n ASP 118 Ca 0.00 0.19 -0.43 0.00 0.71 0.00 0.00 54.79 55.25 1upc n ASP 118 Cb 0.20 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.17 1upc n ASP 118 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1upc n THR 119 N -3.36 1.14 -1.66 -3.53 -1.04 -0.69 -4.92 114.28 100.22 1upc n THR 119 Ca 0.00 -0.29 -0.48 0.00 -2.04 0.00 0.00 64.05 61.25 1upc n THR 119 Cb 0.08 -1.67 -0.05 0.00 -1.82 0.00 0.00 70.33 66.87 1upc n THR 119 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1upc n HIS 120 N 1.74 2.12 -1.36 -1.42 -0.00 -1.26 -1.78 115.22 113.25 1upc n HIS 120 Ca 0.09 0.32 -0.13 0.00 0.46 0.00 0.00 57.72 58.47 1upc n HIS 120 Cb 0.34 -2.51 -0.05 0.00 -0.12 0.00 0.00 29.99 27.65 1upc n HIS 120 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1upc n GLN 121 N 3.60 -1.26 -3.54 1.57 6.02 -1.26 -4.97 117.38 117.53 1upc n GLN 121 Ca 0.18 0.92 -0.41 0.00 -0.01 0.00 0.00 57.00 57.67 1upc n GLN 121 Cb 0.26 -5.12 -0.11 0.00 1.02 0.00 0.00 30.24 26.30 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 1.63 3.21 -1.23 0.00 1.43 -1.26 -0.07 118.68 122.39 1upc s LEU 123 Ca 0.04 -0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 52.25 1upc s LEU 123 Cb -0.19 -1.68 0.18 0.00 0.03 0.00 0.00 46.19 44.53 1upc s LEU 123 CO 0.09 -0.22 1.58 -0.67 0.23 0.00 0.00 176.35 177.36 1upc n ASP 124 N -1.06 5.21 -0.14 2.29 -0.08 -1.26 -4.85 116.55 116.67 1upc n ASP 124 Ca -0.04 -3.03 -0.03 0.00 -1.51 0.00 0.00 54.79 50.17 1upc n ASP 124 Cb 0.61 -1.53 0.04 0.00 2.34 0.00 0.00 41.12 42.58 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 6.60 -0.17 -0.86 1.67 0.02 -1.98 -2.17 113.55 116.66 1upc h SER 125 Ca 0.34 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.37 1upc h SER 125 Cb 0.78 0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.46 1upc h SER 125 CO 1.37 -0.05 0.45 0.58 -1.14 0.00 0.00 176.83 178.04 1upc h VAL 126 N 0.12 1.26 -0.21 2.27 2.07 -1.93 -1.51 116.25 118.32 1upc h VAL 126 Ca 0.22 -0.68 -0.09 0.00 0.82 0.00 0.00 66.70 66.97 1upc h VAL 126 Cb 0.32 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1upc h VAL 126 CO -0.37 0.30 -0.27 0.00 0.02 0.00 0.00 177.57 177.25 1upc h ALA 127 N 1.27 1.15 -0.12 1.67 0.00 -1.83 -0.72 119.26 120.67 1upc h ALA 127 Ca 0.30 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1upc h ALA 127 Cb 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1upc h ALA 127 CO -0.04 0.54 -0.72 0.82 0.00 0.00 0.00 179.25 179.85 1upc h ILE 128 N 0.35 1.33 0.00 0.00 2.04 -1.05 -3.36 117.51 116.82 1upc h ILE 128 Ca 0.05 -2.03 -0.17 0.00 1.00 0.00 0.00 64.86 63.72 1upc h ILE 128 Cb 0.67 2.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.73 1upc h ILE 128 CO 0.05 0.62 -2.01 0.52 0.00 0.00 0.00 178.15 177.34 1upc n VAL 129 N -3.89 0.74 -0.25 1.67 0.31 -0.60 -4.45 118.33 111.85 1upc n VAL 129 Ca -0.05 -0.67 0.05 0.00 -0.01 0.00 0.00 64.34 63.66 1upc n VAL 129 Cb 0.70 -0.31 0.18 0.00 -0.91 0.00 0.00 33.84 33.51 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 1.53 1.05 0.00 3.52 0.00 -1.28 -0.95 119.26 123.13 1upc h ALA 130 Ca -0.23 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1upc h ALA 130 Cb 1.56 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1upc h ALA 130 CO 0.02 -0.19 0.00 -1.35 0.00 0.00 0.00 179.25 177.73 1upc h PRO 131 N 0.46 0.00 -0.37 0.00 0.11 -1.78 -2.98 132.00 127.44 1upc h PRO 131 Ca 0.41 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.47 1upc h PRO 131 Cb 0.60 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.68 1upc h PRO 131 CO -0.39 0.00 0.03 0.00 -0.21 0.00 0.00 178.00 177.43 1upc n MET 132 N -3.07 3.20 -3.99 1.05 0.00 -0.40 -5.04 117.12 108.87 1upc n MET 132 Ca 0.00 -2.96 -0.08 0.00 0.00 0.00 0.00 57.70 54.67 1upc n MET 132 Cb 0.28 -1.95 -0.09 0.00 0.00 0.00 0.00 33.22 31.46 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 -1.73 0.33 0.48 3.17 1.04 -0.93 -4.65 113.70 111.41 1upc s SER 133 Ca 0.46 -0.86 0.29 0.00 0.48 0.00 0.00 55.95 56.32 1upc s SER 133 Cb 0.37 0.26 0.95 0.00 0.10 0.00 0.00 66.02 67.71 1upc s SER 133 CO 0.09 -0.66 1.82 0.11 0.98 0.00 0.00 173.24 175.59 1upc h LYS 134 N 2.97 0.00 -1.28 4.02 1.79 -0.87 -3.46 116.57 119.74 1upc h LYS 134 Ca -0.34 0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.28 1upc h LYS 134 Cb 1.17 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 31.53 1upc h LYS 134 CO 0.62 0.00 0.49 -0.47 -1.08 0.00 0.00 179.45 179.00 1upc s TYR 135 N -3.46 -0.41 -0.04 -1.35 5.04 -1.26 -4.92 117.35 110.96 1upc s TYR 135 Ca 0.04 0.80 -0.01 0.00 -2.44 0.00 0.00 57.07 55.46 1upc s TYR 135 Cb 0.08 0.24 0.03 0.00 0.35 0.00 0.00 41.96 42.66 1upc s TYR 135 CO 0.58 -0.20 0.06 0.00 -1.34 0.00 0.00 175.55 174.65 1upc s ALA 136 N 1.39 0.09 0.03 3.97 0.00 -1.26 -0.22 121.76 125.76 1upc s ALA 136 Ca -0.08 0.32 -0.15 0.00 0.00 0.00 0.00 51.96 52.05 1upc s ALA 136 Cb -0.03 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1upc s ALA 136 CO -0.14 -0.29 0.32 0.54 0.00 0.00 0.00 175.76 176.19 1upc s VAL 137 N 1.59 0.07 -0.19 0.00 0.11 -0.41 -4.99 120.40 116.59 1upc s VAL 137 Ca -0.03 -0.61 -0.04 0.00 -2.93 0.00 0.00 61.98 58.38 1upc s VAL 137 Cb -0.12 -0.87 -0.02 0.00 -1.53 0.00 0.00 36.38 33.84 1upc s VAL 137 CO -0.03 -0.33 -0.04 -0.70 -3.33 0.00 0.00 175.10 170.66 1upc s GLU 138 N -2.25 3.51 0.25 1.54 2.12 -1.26 -0.24 118.70 122.37 1upc s GLU 138 Ca -0.07 -0.58 -0.31 0.00 0.36 0.00 0.00 54.97 54.37 1upc s GLU 138 Cb -0.02 -2.97 -0.13 0.00 0.26 0.00 0.00 34.13 31.27 1upc s GLU 138 CO -0.01 -0.01 1.47 -0.11 -0.54 0.00 0.00 175.26 176.06 1upc n LEU 139 N 4.25 3.44 0.00 2.70 7.94 -0.52 -4.92 117.00 129.90 1upc n LEU 139 Ca -0.18 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.86 1upc n LEU 139 Cb 0.52 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.99 1upc n LEU 139 CO 0.31 -0.30 -0.26 0.00 -1.11 0.00 0.00 177.39 176.03 1upc n GLN 140 N 2.17 1.28 -3.98 1.96 6.02 -1.26 -4.63 117.38 118.93 1upc n GLN 140 Ca 0.11 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.80 1upc n GLN 140 Cb 0.33 -0.76 -0.16 0.00 1.02 0.00 0.00 30.24 30.67 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 -1.51 2.02 0.36 -1.09 0.52 -1.26 -5.06 118.95 112.93 1upc s ARG 141 Ca 0.00 -0.65 0.16 0.00 -0.52 0.00 0.00 55.73 54.72 1upc s ARG 141 Cb 0.00 -2.19 1.07 0.00 0.52 0.00 0.00 34.95 34.35 1upc s ARG 141 CO 0.00 -0.35 1.71 -1.35 0.02 0.00 0.00 175.30 175.34 1upc h PRO 142 N 8.04 0.39 0.00 3.54 0.11 -1.85 -1.15 132.00 141.07 1upc h PRO 142 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1upc h PRO 142 Cb 1.12 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1upc h PRO 142 CO 0.48 0.25 0.00 1.12 -0.21 0.00 0.00 178.00 179.65 1upc h HIS 143 N 0.40 0.00 0.00 0.65 2.07 -1.86 -2.89 115.15 113.52 1upc h HIS 143 Ca 0.68 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.20 1upc h HIS 143 Cb 1.59 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.57 1upc h HIS 143 CO -0.01 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.24 1upc n GLU 144 N -2.94 0.04 -0.17 5.12 1.02 -0.43 -3.54 120.64 119.73 1upc n GLU 144 Ca 0.02 0.15 0.27 0.00 -0.02 0.00 0.00 57.16 57.58 1upc n GLU 144 Cb 0.38 -1.56 0.70 0.00 -0.02 0.00 0.00 31.44 30.93 1upc n GLU 144 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1upc h ILE 145 N 0.00 0.58 -0.12 -3.67 6.09 -1.66 -0.25 117.51 118.48 1upc h ILE 145 Ca 0.00 -0.01 -0.02 0.00 -1.37 0.00 0.00 64.86 63.46 1upc h ILE 145 Cb 0.42 0.53 -0.00 0.00 0.47 0.00 0.00 36.82 38.24 1upc h ILE 145 CO 0.00 0.01 0.01 0.74 -3.07 0.00 0.00 178.15 175.84 1upc h THR 146 N 0.04 1.23 0.00 2.19 2.02 -1.84 -1.10 112.91 115.45 1upc h THR 146 Ca 0.42 -0.74 -0.07 0.00 0.77 0.00 0.00 66.41 66.78 1upc h THR 146 Cb 1.59 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 1upc h THR 146 CO -0.02 0.22 -0.32 -2.24 0.37 0.00 0.00 175.52 173.52 1upc h ASP 147 N -0.04 0.00 -0.23 4.18 3.04 -1.36 -2.57 116.42 119.43 1upc h ASP 147 Ca 0.04 0.00 -0.20 0.00 -3.24 0.00 0.00 57.03 53.62 1upc h ASP 147 Cb 0.32 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.62 1upc h ASP 147 CO 0.00 0.32 -0.65 -0.07 -2.04 0.00 0.00 179.24 176.80 1upc h LEU 148 N 0.00 0.97 -0.59 0.15 3.38 -0.87 -0.81 115.31 117.55 1upc h LEU 148 Ca -0.00 -0.58 0.03 0.00 0.09 0.00 0.00 57.88 57.42 1upc h LEU 148 Cb 0.67 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1upc h LEU 148 CO 0.04 1.38 0.35 0.58 0.09 0.00 0.00 178.44 180.88 1upc h VAL 149 N 0.62 1.05 -0.59 1.22 2.07 -1.10 -0.86 116.25 118.66 1upc h VAL 149 Ca -0.02 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1upc h VAL 149 Cb 1.27 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1upc h VAL 149 CO 0.14 0.13 0.17 0.44 0.02 0.00 0.00 177.57 178.47 1upc h ASP 150 N 0.69 0.87 0.12 0.57 3.32 -1.24 0.63 116.42 121.38 1upc h ASP 150 Ca 0.24 -0.22 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 1upc h ASP 150 Cb 0.05 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1upc h ASP 150 CO -0.11 0.85 -0.36 0.28 -1.72 0.00 0.00 179.24 178.18 1upc h SER 151 N 0.84 0.34 -0.38 6.45 0.02 -1.03 -0.18 113.55 119.60 1upc h SER 151 Ca 0.19 -0.13 -0.13 0.00 -0.84 0.00 0.00 61.79 60.87 1upc h SER 151 Cb 0.31 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1upc h SER 151 CO -0.00 0.68 -0.26 0.00 -1.14 0.00 0.00 176.83 176.10 1upc h ALA 152 N 1.34 0.55 -0.58 3.77 0.00 -0.61 -2.24 119.26 121.49 1upc h ALA 152 Ca 0.03 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1upc h ALA 152 Cb 0.77 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1upc h ALA 152 CO 0.06 0.56 0.03 0.28 0.00 0.00 0.00 179.25 180.18 1upc h VAL 153 N 0.66 1.26 -0.11 0.00 2.07 -0.71 -1.94 116.25 117.49 1upc h VAL 153 Ca 0.08 -1.09 0.03 0.00 0.82 0.00 0.00 66.70 66.54 1upc h VAL 153 Cb 0.84 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1upc h VAL 153 CO 0.07 0.39 -0.06 0.78 0.02 0.00 0.00 177.57 178.77 1upc h ASN 154 N 0.90 -0.20 0.32 0.57 2.35 -0.84 -1.34 115.58 117.35 1upc h ASN 154 Ca 0.17 0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.82 1upc h ASN 154 Cb 0.51 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1upc h ASN 154 CO 0.02 -0.08 -0.60 0.00 -1.65 0.00 0.00 177.43 175.12 1upc h ALA 155 N 1.04 0.83 -0.44 -0.83 0.00 -1.40 -3.06 119.26 115.40 1upc h ALA 155 Ca 0.07 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 1upc h ALA 155 Cb 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1upc h ALA 155 CO -0.15 0.72 -0.11 0.00 0.00 0.00 0.00 179.25 179.72 1upc h ALA 156 N 1.16 0.98 -0.48 0.00 0.00 -1.11 -3.11 119.26 116.70 1upc h ALA 156 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1upc h ALA 156 Cb 1.11 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1upc h ALA 156 CO 0.10 0.60 0.00 -1.33 0.00 0.00 0.00 179.25 178.62 1upc n MET 157 N -4.16 4.05 -4.33 0.00 2.00 -0.52 -2.25 117.12 111.90 1upc n MET 157 Ca 0.01 -2.55 -0.34 0.00 0.00 0.00 0.00 57.70 54.82 1upc n MET 157 Cb 0.37 -2.08 -0.11 0.00 0.00 0.00 0.00 33.22 31.40 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 -2.33 4.16 0.33 2.03 2.01 -1.16 -0.72 115.64 119.96 1upc s THR 158 Ca 0.44 -0.27 -0.29 0.00 0.31 0.00 0.00 61.69 61.88 1upc s THR 158 Cb 0.33 -2.81 -0.10 0.00 0.01 0.00 0.00 72.50 69.93 1upc s THR 158 CO 0.14 0.52 1.33 -1.61 -0.69 0.00 0.00 174.62 174.32 1upc s GLU 159 N -0.05 4.33 0.04 4.92 0.41 0.79 -2.86 118.70 126.27 1upc s GLU 159 Ca 0.03 2.26 -0.30 0.00 -0.41 0.00 0.00 54.97 56.54 1upc s GLU 159 Cb -0.13 -3.06 -0.05 0.00 -1.78 0.00 0.00 34.13 29.11 1upc s GLU 159 CO 0.02 -0.24 1.20 -1.25 -0.49 0.00 0.00 175.26 174.50 1upc s PRO 160 N -1.70 4.42 0.73 0.39 0.04 -1.26 -4.83 135.00 132.78 1upc s PRO 160 Ca 0.50 1.75 -0.15 0.00 0.04 0.00 0.00 61.00 63.14 1upc s PRO 160 Cb -0.41 -3.40 0.04 0.00 0.04 0.00 0.00 34.50 30.78 1upc s PRO 160 CO 0.53 -0.29 1.18 0.14 0.04 0.00 0.00 177.00 178.60 1upc s VAL 161 N 1.31 2.47 -0.02 -0.36 -7.23 -1.14 -4.97 120.40 110.47 1upc s VAL 161 Ca 0.58 0.22 -0.23 0.00 -1.81 0.00 0.00 61.98 60.74 1upc s VAL 161 Cb -0.28 -2.75 0.08 0.00 0.56 0.00 0.00 36.38 33.98 1upc s VAL 161 CO 0.28 -0.13 1.06 0.61 -0.31 0.00 0.00 175.10 176.60 1upc n GLY 162 N 0.19 0.29 3.82 2.32 0.00 -0.95 -3.55 105.19 107.31 1upc n GLY 162 Ca 0.13 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 1upc n GLY 162 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1upc s PRO 163 N -2.01 4.24 -0.02 1.61 0.04 -1.21 -3.10 135.00 134.56 1upc s PRO 163 Ca 0.25 0.87 0.08 0.00 0.04 0.00 0.00 61.00 62.24 1upc s PRO 163 Cb -0.01 -2.83 -0.02 0.00 0.04 0.00 0.00 34.50 31.68 1upc s PRO 163 CO -0.00 0.36 -0.25 -1.12 0.04 0.00 0.00 177.00 176.03 1upc s SER 164 N -1.71 2.88 -0.09 6.66 0.01 0.43 -0.19 113.70 121.69 1upc s SER 164 Ca 0.44 -0.45 0.04 0.00 1.31 0.00 0.00 55.95 57.30 1upc s SER 164 Cb -0.16 -0.32 -0.00 0.00 0.21 0.00 0.00 66.02 65.75 1upc s SER 164 CO 0.21 0.30 -0.23 0.12 0.41 0.00 0.00 173.24 174.04 1upc s PHE 165 N -0.59 2.54 -0.13 2.43 5.36 0.69 -0.33 117.98 127.95 1upc s PHE 165 Ca 0.10 -0.91 0.01 0.00 -0.96 0.00 0.00 56.93 55.17 1upc s PHE 165 Cb -0.09 -1.68 0.02 0.00 -0.34 0.00 0.00 43.02 40.92 1upc s PHE 165 CO -0.01 -0.33 -0.15 0.42 -1.46 0.00 0.00 175.22 173.69 1upc s ILE 166 N 0.17 1.53 -0.06 3.12 1.01 -0.54 -1.28 121.20 125.14 1upc s ILE 166 Ca -0.13 -0.63 -0.17 0.00 0.00 0.00 0.00 60.65 59.72 1upc s ILE 166 Cb -0.16 -1.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 1upc s ILE 166 CO 0.07 0.45 0.44 -0.55 0.00 0.00 0.00 174.94 175.35 1upc s SER 167 N 1.27 6.73 -0.46 3.58 0.15 0.67 -2.11 113.70 123.54 1upc s SER 167 Ca -0.00 0.87 0.03 0.00 0.70 0.00 0.00 55.95 57.55 1upc s SER 167 Cb -0.14 -2.27 0.13 0.00 -1.71 0.00 0.00 66.02 62.03 1upc s SER 167 CO -0.07 0.15 0.22 -0.76 1.20 0.00 0.00 173.24 173.98 1upc s LEU 168 N -0.14 3.63 0.25 3.45 1.43 0.44 -1.44 118.68 126.30 1upc s LEU 168 Ca 0.24 -2.69 -0.31 0.00 -1.03 0.00 0.00 54.13 50.35 1upc s LEU 168 Cb -0.16 -1.36 -0.13 0.00 0.03 0.00 0.00 46.19 44.57 1upc s LEU 168 CO 0.11 -0.27 1.46 -2.65 0.23 0.00 0.00 176.35 175.23 1upc n PRO 169 N 3.51 2.21 -0.32 1.29 -0.02 -1.26 -0.94 135.00 139.46 1upc n PRO 169 Ca 0.06 0.79 -0.01 0.00 -2.02 0.00 0.00 63.50 62.31 1upc n PRO 169 Cb 0.35 -2.48 0.15 0.00 -0.02 0.00 0.00 33.50 31.50 1upc n PRO 169 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1upc h VAL 170 N 3.13 1.24 -0.46 -1.45 2.07 -1.21 -1.36 116.25 118.20 1upc h VAL 170 Ca -0.45 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 1upc h VAL 170 Cb 1.26 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1upc h VAL 170 CO 0.77 0.23 0.09 -2.24 0.02 0.00 0.00 177.57 176.44 1upc h ASP 171 N 1.25 0.72 0.03 0.57 2.03 -1.88 -2.70 116.42 116.44 1upc h ASP 171 Ca 0.34 -0.25 -0.15 0.00 -0.73 0.00 0.00 57.03 56.23 1upc h ASP 171 Cb -0.13 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.17 1upc h ASP 171 CO -0.07 0.78 -0.51 -0.07 -1.03 0.00 0.00 179.24 178.34 1upc h LEU 172 N 0.62 0.58 -1.32 0.15 3.38 -1.74 -2.23 115.31 114.75 1upc h LEU 172 Ca 0.14 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1upc h LEU 172 Cb 0.36 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1upc h LEU 172 CO 0.01 0.99 0.44 0.25 0.09 0.00 0.00 178.44 180.22 1upc h LEU 173 N 0.42 0.78 -1.93 1.67 5.85 -1.21 -2.28 115.31 118.61 1upc h LEU 173 Ca 0.02 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1upc h LEU 173 Cb 1.04 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1upc h LEU 173 CO 0.10 0.57 0.00 0.61 -0.34 0.00 0.00 178.44 179.38 1upc n GLY 174 N -1.41 1.47 3.87 3.75 0.00 -1.03 -1.09 105.19 110.75 1upc n GLY 174 Ca 0.07 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 1upc n GLY 174 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1upc s SER 175 N -0.93 6.48 0.00 1.61 0.15 -0.86 -4.80 113.70 115.35 1upc s SER 175 Ca 0.33 0.57 0.21 0.00 0.70 0.00 0.00 55.95 57.77 1upc s SER 175 Cb 0.19 -2.11 0.53 0.00 -1.71 0.00 0.00 66.02 62.92 1upc s SER 175 CO 0.21 0.37 1.45 -1.54 1.20 0.00 0.00 173.24 174.93 1upc n SER 176 N 1.84 3.18 -4.70 5.45 3.41 -1.26 -1.46 113.62 120.08 1upc n SER 176 Ca -0.18 -1.96 -0.42 0.00 -0.26 0.00 0.00 58.87 56.05 1upc n SER 176 Cb 0.54 -0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 1upc n SER 176 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1upc s GLU 177 N -1.40 4.17 0.00 4.33 2.12 -1.26 -2.49 118.70 124.18 1upc s GLU 177 Ca 0.39 2.45 0.00 0.00 0.36 0.00 0.00 54.97 58.17 1upc s GLU 177 Cb 0.22 -3.43 0.00 0.00 0.26 0.00 0.00 34.13 31.18 1upc s GLU 177 CO 0.30 -0.74 0.00 0.41 -0.54 0.00 0.00 175.26 174.69 1upc n GLY 178 N 4.01 1.24 3.64 -1.50 0.00 -1.26 -4.00 105.19 107.31 1upc n GLY 178 Ca 0.16 0.00 -0.37 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 -3.75 5.33 -0.06 -0.61 1.01 -1.04 -4.75 121.20 117.33 1upc s ILE 179 Ca 0.00 0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.91 1upc s ILE 179 Cb 0.00 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 1upc s ILE 179 CO 0.00 0.31 -0.20 -1.81 0.00 0.00 0.00 174.94 173.24 1upc s ASP 180 N 1.27 3.54 -1.33 3.58 -0.00 -1.26 -5.04 116.67 117.43 1upc s ASP 180 Ca 0.08 -0.37 -0.11 0.00 -0.00 0.00 0.00 52.55 52.15 1upc s ASP 180 Cb -0.14 -0.93 0.13 0.00 -0.00 0.00 0.00 42.92 41.97 1upc s ASP 180 CO 0.07 0.27 1.96 0.41 -0.00 0.00 0.00 175.17 177.88 1upc n THR 181 N 2.80 4.06 -3.16 -1.27 -1.04 -1.26 -5.03 114.28 109.39 1upc n THR 181 Ca -0.17 -3.98 -0.21 0.00 -2.04 0.00 0.00 64.05 57.64 1upc n THR 181 Cb 0.52 -2.44 -0.06 0.00 -1.82 0.00 0.00 70.33 66.54 1upc n THR 181 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1upc n PRO 184 N 4.72 0.53 -2.33 -2.82 -0.04 -1.26 -5.28 135.00 128.51 1upc n PRO 184 Ca 0.44 -2.90 -0.42 0.00 -0.04 0.00 0.00 63.50 60.57 1upc n PRO 184 Cb 0.38 -1.42 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.65 6.92 0.60 3.54 -0.87 -1.26 -4.99 114.94 118.22 1upc s ASN 185 Ca 0.33 1.89 -0.19 0.00 -1.57 0.00 0.00 52.86 53.33 1upc s ASN 185 Cb 0.12 -2.55 -0.03 0.00 -0.02 0.00 0.00 41.25 38.77 1upc s ASN 185 CO -0.15 -0.72 1.22 -2.16 -2.57 0.00 0.00 177.10 172.71 1upc s PRO 186 N 2.96 2.92 0.58 -0.60 0.04 -1.26 -4.93 135.00 134.70 1upc s PRO 186 Ca 0.59 1.85 -0.19 0.00 0.04 0.00 0.00 61.00 63.30 1upc s PRO 186 Cb -0.26 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1upc s PRO 186 CO 0.21 -1.26 1.02 -0.35 0.04 0.00 0.00 177.00 176.66 1upc n PRO 187 N -1.64 1.03 0.01 0.56 -0.04 -1.26 -4.94 135.00 128.72 1upc n PRO 187 Ca 0.14 0.39 -0.18 0.00 -0.04 0.00 0.00 63.50 63.81 1upc n PRO 187 Cb 0.49 -2.20 -0.11 0.00 -0.04 0.00 0.00 33.50 31.64 1upc n PRO 187 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1upc h ALA 188 N 0.69 0.06 -6.35 0.55 0.00 -1.92 -3.48 119.26 108.81 1upc h ALA 188 Ca -0.48 -0.58 -0.47 0.00 0.00 0.00 0.00 54.91 53.38 1upc h ALA 188 Cb 1.35 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.20 1upc h ALA 188 CO 0.52 0.35 -0.90 0.09 0.00 0.00 0.00 179.25 179.32 1upc n ASN 189 N -4.21 -2.18 -4.68 0.00 3.02 -1.26 -4.91 115.26 101.05 1upc n ASN 189 Ca -0.11 -0.99 -0.42 0.00 -0.03 0.00 0.00 54.58 53.03 1upc n ASN 189 Cb 0.69 -3.28 -0.03 0.00 -0.61 0.00 0.00 39.78 36.55 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 -3.75 3.52 0.32 3.41 2.01 -1.26 -4.96 115.64 114.93 1upc s THR 190 Ca 0.17 0.82 -0.29 0.00 0.31 0.00 0.00 61.69 62.70 1upc s THR 190 Cb -0.06 -3.53 -0.12 0.00 0.01 0.00 0.00 72.50 68.80 1upc s THR 190 CO 0.87 -0.03 1.41 -2.65 -0.69 0.00 0.00 174.62 173.53 1upc n PRO 191 N 6.16 2.34 0.19 4.92 -0.02 -1.26 -4.87 135.00 142.45 1upc n PRO 191 Ca 0.15 0.82 0.11 0.00 -2.02 0.00 0.00 63.50 62.57 1upc n PRO 191 Cb 0.43 -2.49 0.12 0.00 -0.02 0.00 0.00 33.50 31.53 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 3.39 0.86 -2.60 3.55 0.00 -1.93 -3.46 119.26 119.08 1upc h ALA 192 Ca -0.47 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 1upc h ALA 192 Cb 1.26 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 1upc h ALA 192 CO 0.69 0.04 -0.33 -1.59 0.00 0.00 0.00 179.25 178.06 1upc s LYS 193 N -3.23 1.04 0.37 0.00 -2.85 -1.26 -4.96 119.74 108.85 1upc s LYS 193 Ca 0.05 -1.08 -0.28 0.00 -1.00 0.00 0.00 55.97 53.66 1upc s LYS 193 Cb 0.06 0.37 -0.11 0.00 -2.06 0.00 0.00 37.83 36.10 1upc s LYS 193 CO 0.70 -0.37 1.43 -2.14 0.10 0.00 0.00 175.35 175.08 1upc s PRO 194 N -3.92 4.13 0.10 1.78 0.02 -1.26 -4.98 135.00 130.87 1upc s PRO 194 Ca 0.12 2.47 -0.31 0.00 0.02 0.00 0.00 61.00 63.30 1upc s PRO 194 Cb 0.04 -2.96 -0.09 0.00 0.02 0.00 0.00 34.50 31.51 1upc s PRO 194 CO -0.04 -0.47 1.56 0.08 -0.33 0.00 0.00 177.00 177.80 1upc s VAL 195 N -1.14 3.00 0.35 3.83 1.01 0.10 -4.88 120.40 122.67 1upc s VAL 195 Ca 0.52 0.60 0.08 0.00 0.00 0.00 0.00 61.98 63.18 1upc s VAL 195 Cb -0.44 -3.38 -0.07 0.00 0.00 0.00 0.00 36.38 32.49 1upc s VAL 195 CO 0.60 0.02 -0.04 -0.83 0.00 0.00 0.00 175.10 174.85 1upc s GLY 196 N 1.76 2.19 0.12 4.51 0.00 -1.26 -0.15 107.32 114.48 1upc s GLY 196 Ca 0.70 -2.11 -0.11 0.00 0.00 0.00 0.00 44.72 43.21 1upc s GLY 196 CO 0.31 -1.99 0.46 -1.34 0.00 0.00 0.00 173.10 170.55 1upc s VAL 197 N -2.79 5.00 -0.07 1.40 -7.23 -0.59 -4.97 120.40 111.15 1upc s VAL 197 Ca 0.33 0.57 -0.01 0.00 -1.81 0.00 0.00 61.98 61.06 1upc s VAL 197 Cb 0.05 -3.67 0.03 0.00 0.56 0.00 0.00 36.38 33.35 1upc s VAL 197 CO 0.16 0.23 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.47 1upc s VAL 198 N -1.46 0.53 0.30 1.32 1.01 -1.26 -3.49 120.40 117.35 1upc s VAL 198 Ca 0.36 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 62.07 1upc s VAL 198 Cb -0.14 -0.63 -0.10 0.00 0.00 0.00 0.00 36.38 35.51 1upc s VAL 198 CO 0.19 0.28 0.94 0.00 0.00 0.00 0.00 175.10 176.51 1upc s ALA 199 N 1.74 3.24 0.30 5.51 0.00 0.02 -4.98 121.76 127.59 1upc s ALA 199 Ca 0.02 0.55 -0.30 0.00 0.00 0.00 0.00 51.96 52.23 1upc s ALA 199 Cb -0.13 -3.19 -0.12 0.00 0.00 0.00 0.00 23.12 19.68 1upc s ALA 199 CO -0.05 0.18 1.45 -3.47 0.00 0.00 0.00 175.76 173.87 1upc n ASP 200 N 0.77 3.21 -1.13 0.00 2.03 -1.26 -2.75 116.55 117.42 1upc n ASP 200 Ca 0.01 1.17 -0.11 0.00 0.52 0.00 0.00 54.79 56.38 1upc n ASP 200 Cb 0.49 -1.51 -0.02 0.00 -0.72 0.00 0.00 41.12 39.36 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 1.62 0.24 0.22 0.27 0.00 -1.26 -4.92 105.19 101.36 1upc n GLY 201 Ca 0.08 -0.46 0.03 0.00 0.00 0.00 0.00 46.02 45.67 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 0.11 -0.72 1.61 5.08 -1.83 -2.71 115.95 117.48 1upc h TRP 202 Ca -0.25 -0.01 -0.05 0.00 1.08 0.00 0.00 58.89 59.66 1upc h TRP 202 Cb 1.07 -0.03 -0.03 0.00 -3.00 0.00 0.00 29.16 27.17 1upc h TRP 202 CO 0.29 0.31 0.26 1.96 -1.28 0.00 0.00 178.44 179.98 1upc h GLN 203 N 0.10 1.09 -0.40 0.12 7.50 -1.91 0.15 115.11 121.75 1upc h GLN 203 Ca 0.02 -0.21 -0.04 0.00 0.50 0.00 0.00 58.65 58.92 1upc h GLN 203 Cb 0.42 -0.17 -0.02 0.00 0.05 0.00 0.00 27.48 27.76 1upc h GLN 203 CO 0.03 0.91 0.08 0.87 -1.50 0.00 0.00 178.83 179.21 1upc h LYS 204 N 1.06 0.66 -0.59 1.46 1.57 -1.90 -0.46 116.57 118.37 1upc h LYS 204 Ca 0.24 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1upc h LYS 204 Cb 0.25 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1upc h LYS 204 CO -0.01 0.69 0.23 0.00 -0.57 0.00 0.00 179.45 179.79 1upc h ALA 205 N 0.94 0.77 -0.95 3.86 0.00 -1.17 -1.78 119.26 120.92 1upc h ALA 205 Ca 0.12 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1upc h ALA 205 Cb 0.34 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1upc h ALA 205 CO 0.01 0.39 0.62 0.00 0.00 0.00 0.00 179.25 180.26 1upc h ALA 206 N 1.08 1.46 -0.79 0.00 0.00 -0.51 -1.47 119.26 119.02 1upc h ALA 206 Ca 0.20 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1upc h ALA 206 Cb 0.22 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1upc h ALA 206 CO -0.01 0.41 0.30 -0.44 0.00 0.00 0.00 179.25 179.51 1upc h ASP 207 N 1.11 1.11 -0.69 0.00 3.32 -0.68 -0.64 116.42 119.94 1upc h ASP 207 Ca 0.41 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 1upc h ASP 207 Cb 0.17 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1upc h ASP 207 CO -0.15 0.99 0.29 1.56 -1.72 0.00 0.00 179.24 180.21 1upc h GLN 208 N 1.16 1.05 -0.54 3.56 4.20 -0.75 -0.68 115.11 123.11 1upc h GLN 208 Ca 0.26 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 1upc h GLN 208 Cb 0.24 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1upc h GLN 208 CO -0.02 0.85 0.01 0.00 -0.67 0.00 0.00 178.83 178.99 1upc h ALA 209 N 1.29 0.99 -0.67 3.87 0.00 -0.95 -1.97 119.26 121.82 1upc h ALA 209 Ca 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1upc h ALA 209 Cb 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1upc h ALA 209 CO -0.02 0.62 0.37 0.00 0.00 0.00 0.00 179.25 180.21 1upc h ALA 210 N 1.15 1.39 -0.16 0.00 0.00 -0.29 -1.47 119.26 119.89 1upc h ALA 210 Ca 0.16 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1upc h ALA 210 Cb 0.49 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1upc h ALA 210 CO 0.02 0.50 -0.47 0.00 0.00 0.00 0.00 179.25 179.30 1upc h ALA 211 N 1.48 0.89 -0.36 0.00 0.00 -0.74 -1.79 119.26 118.73 1upc h ALA 211 Ca 0.24 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1upc h ALA 211 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1upc h ALA 211 CO -0.04 0.65 -0.05 -0.07 0.00 0.00 0.00 179.25 179.74 1upc h LEU 212 N 0.33 0.67 -1.28 0.00 3.38 -0.98 -2.97 115.31 114.46 1upc h LEU 212 Ca 0.02 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.66 1upc h LEU 212 Cb 0.96 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 1upc h LEU 212 CO 0.08 0.86 0.49 0.25 0.09 0.00 0.00 178.44 180.21 1upc h LEU 213 N 0.48 0.83 -0.68 1.67 5.85 -0.95 -0.88 115.31 121.63 1upc h LEU 213 Ca 0.10 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1upc h LEU 213 Cb 0.54 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1upc h LEU 213 CO 0.03 0.59 0.32 0.00 -0.34 0.00 0.00 178.44 179.04 1upc h ALA 214 N 1.55 0.87 0.00 1.25 0.00 -1.25 -2.61 119.26 119.07 1upc h ALA 214 Ca 0.28 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1upc h ALA 214 Cb -0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1upc h ALA 214 CO -0.07 0.45 -0.39 0.93 0.00 0.00 0.00 179.25 180.16 1upc h GLU 215 N 0.94 0.00 -6.78 0.00 4.39 -1.22 -3.46 114.58 108.45 1upc h GLU 215 Ca 0.23 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.43 1upc h GLU 215 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1upc h GLU 215 CO -0.03 0.39 0.43 0.00 -1.16 0.00 0.00 179.01 178.64 1upc s ALA 216 N -3.47 3.38 -0.06 3.43 0.00 -0.40 -4.96 121.76 119.68 1upc s ALA 216 Ca 0.01 0.79 0.10 0.00 0.00 0.00 0.00 51.96 52.86 1upc s ALA 216 Cb 0.10 -3.28 -0.24 0.00 0.00 0.00 0.00 23.12 19.70 1upc s ALA 216 CO 0.69 -0.02 0.61 1.63 0.00 0.00 0.00 175.76 178.67 1upc n LYS 217 N 1.32 0.65 -3.21 0.00 5.02 -1.26 -4.76 118.16 115.92 1upc n LYS 217 Ca -0.01 0.29 -0.23 0.00 -2.02 0.00 0.00 58.31 56.33 1upc n LYS 217 Cb 0.46 -1.78 -0.07 0.00 -0.02 0.00 0.00 35.03 33.62 1upc n LYS 217 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1upc n HIS 218 N -3.10 -0.84 -2.29 2.13 8.25 -1.26 -4.36 115.22 113.76 1upc n HIS 218 Ca -0.19 -3.30 -0.30 0.00 -0.26 0.00 0.00 57.72 53.66 1upc n HIS 218 Cb 1.05 0.02 -0.00 0.00 1.12 0.00 0.00 29.99 32.18 1upc n HIS 218 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1upc s PRO 219 N -0.62 3.66 0.06 -0.41 0.04 -1.26 -2.46 135.00 134.01 1upc s PRO 219 Ca 0.34 0.59 0.04 0.00 0.04 0.00 0.00 61.00 62.01 1upc s PRO 219 Cb 0.13 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1upc s PRO 219 CO -0.14 -0.36 -0.11 0.14 0.04 0.00 0.00 177.00 176.57 1upc s VAL 220 N -2.87 0.84 -0.30 -0.36 -7.23 -0.09 -4.19 120.40 106.20 1upc s VAL 220 Ca 0.53 -1.22 -0.15 0.00 -1.81 0.00 0.00 61.98 59.33 1upc s VAL 220 Cb -0.11 -0.87 -0.03 0.00 0.56 0.00 0.00 36.38 35.93 1upc s VAL 220 CO 0.45 -0.31 0.36 -0.76 -0.31 0.00 0.00 175.10 174.53 1upc s LEU 221 N -1.70 4.18 -0.44 1.32 1.43 -0.49 -1.44 118.68 121.54 1upc s LEU 221 Ca -0.05 0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 52.99 1upc s LEU 221 Cb -0.10 -2.38 0.06 0.00 0.03 0.00 0.00 46.19 43.80 1upc s LEU 221 CO 0.01 -0.24 0.34 -0.69 0.23 0.00 0.00 176.35 176.00 1upc s VAL 222 N 2.05 5.02 -0.23 -1.59 1.01 -0.26 -0.33 120.40 126.08 1upc s VAL 222 Ca 0.14 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 1upc s VAL 222 Cb -0.16 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1upc s VAL 222 CO 0.11 -0.49 0.16 -0.69 0.00 0.00 0.00 175.10 174.19 1upc s VAL 223 N 1.61 5.37 0.47 2.92 1.01 0.28 -1.07 120.40 130.98 1upc s VAL 223 Ca 0.04 0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.31 1upc s VAL 223 Cb -0.23 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.67 1upc s VAL 223 CO 0.07 0.37 0.52 -0.83 0.00 0.00 0.00 175.10 175.22 1upc s GLY 224 N 0.88 2.03 0.46 4.51 0.00 -0.78 -2.07 107.32 112.36 1upc s GLY 224 Ca 0.08 -1.79 0.24 0.00 0.00 0.00 0.00 44.72 43.25 1upc s GLY 224 CO 0.03 -1.67 1.90 0.00 0.00 0.00 0.00 173.10 173.36 1upc h ALA 225 N 0.70 1.11 0.00 3.20 0.00 -1.88 -1.96 119.26 120.42 1upc h ALA 225 Ca -0.38 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 1upc h ALA 225 Cb 1.28 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1upc h ALA 225 CO 0.50 0.26 -0.00 0.00 0.00 0.00 0.00 179.25 180.01 1upc h ALA 226 N 1.79 1.53 -0.07 0.00 0.00 -1.90 -0.17 119.26 120.44 1upc h ALA 226 Ca -0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1upc h ALA 226 Cb 0.63 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1upc h ALA 226 CO 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 179.25 178.84 1upc h ALA 227 N 2.00 1.14 -0.16 0.00 0.00 -1.59 -2.22 119.26 118.43 1upc h ALA 227 Ca -0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 1upc h ALA 227 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1upc h ALA 227 CO 0.00 0.59 -0.44 0.82 0.00 0.00 0.00 179.25 180.22 1upc h ILE 228 N 0.13 1.34 -0.60 0.00 2.04 -1.18 -2.38 117.51 116.85 1upc h ILE 228 Ca 0.01 -1.71 0.01 0.00 1.00 0.00 0.00 64.86 64.17 1upc h ILE 228 Cb 0.84 2.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.88 1upc h ILE 228 CO 0.06 0.52 0.40 0.03 0.00 0.00 0.00 178.15 179.17 1upc h ARG 229 N 0.23 0.80 0.00 2.37 3.08 -1.31 -1.61 114.38 117.93 1upc h ARG 229 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1upc h ARG 229 Cb 1.06 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.93 1upc h ARG 229 CO 0.10 0.53 0.00 1.03 -1.07 0.00 0.00 179.97 180.55 1upc h SER 230 N 0.82 0.00 0.00 7.04 0.87 -1.44 -3.43 113.55 117.41 1upc h SER 230 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1upc h SER 230 Cb -0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1upc h SER 230 CO -0.05 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.86 1upc n GLY 231 N 0.09 0.50 1.23 5.77 0.00 -0.61 -4.63 105.19 107.54 1upc n GLY 231 Ca 0.02 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.31 1upc n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upc n ALA 232 N -0.66 2.41 0.29 4.61 0.00 -0.90 -4.67 120.51 121.59 1upc n ALA 232 Ca 0.00 -1.09 -0.16 0.00 0.00 0.00 0.00 53.44 52.19 1upc n ALA 232 Cb 0.37 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 1upc n ALA 232 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1upc h VAL 233 N 4.46 0.44 -0.69 0.00 2.07 -1.89 -0.87 116.25 119.78 1upc h VAL 233 Ca 0.00 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.41 1upc h VAL 233 Cb 0.99 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1upc h VAL 233 CO 0.00 0.03 0.46 -0.65 0.02 0.00 0.00 177.57 177.42 1upc h PRO 234 N -0.83 0.71 -0.25 1.57 0.11 -1.91 -1.23 132.00 130.17 1upc h PRO 234 Ca -0.07 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.88 1upc h PRO 234 Cb 0.60 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 1upc h PRO 234 CO 0.12 0.47 -0.27 0.00 -0.21 0.00 0.00 178.00 178.11 1upc h ALA 235 N 1.62 0.37 -0.66 -0.75 0.00 -1.82 -1.45 119.26 116.57 1upc h ALA 235 Ca 0.29 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1upc h ALA 235 Cb 0.22 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1upc h ALA 235 CO -0.09 0.37 0.43 0.82 0.00 0.00 0.00 179.25 180.79 1upc h ILE 236 N 0.35 1.16 -0.19 0.00 2.04 -0.87 -1.90 117.51 118.09 1upc h ILE 236 Ca 0.04 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.60 1upc h ILE 236 Cb 0.84 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1upc h ILE 236 CO 0.07 0.16 0.10 -0.09 0.00 0.00 0.00 178.15 178.39 1upc h ARG 237 N 0.89 0.21 -0.82 2.37 2.43 -1.07 0.15 114.38 118.54 1upc h ARG 237 Ca 0.24 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 1upc h ARG 237 Cb -0.09 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 1upc h ARG 237 CO -0.06 0.14 0.44 0.00 -1.51 0.00 0.00 179.97 178.99 1upc h ALA 238 N 1.09 1.23 0.15 2.80 0.00 -1.15 -0.39 119.26 122.99 1upc h ALA 238 Ca 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1upc h ALA 238 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1upc h ALA 238 CO -0.04 0.62 -0.07 1.25 0.00 0.00 0.00 179.25 181.00 1upc h LEU 239 N 1.15 -0.17 -0.47 0.00 5.85 -1.08 -2.53 115.31 118.05 1upc h LEU 239 Ca 0.29 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.92 1upc h LEU 239 Cb 0.04 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1upc h LEU 239 CO -0.05 0.03 0.23 0.00 -0.34 0.00 0.00 178.44 178.32 1upc h ALA 240 N 0.45 0.60 -0.43 1.25 0.00 -0.71 -2.49 119.26 117.91 1upc h ALA 240 Ca -0.02 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1upc h ALA 240 Cb 0.30 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1upc h ALA 240 CO 0.03 -0.12 0.07 0.93 0.00 0.00 0.00 179.25 180.17 1upc h GLU 241 N 0.46 0.71 -0.45 0.00 5.08 -1.09 0.20 114.58 119.50 1upc h GLU 241 Ca 0.21 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1upc h GLU 241 Cb 0.12 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1upc h GLU 241 CO -0.15 0.74 0.15 -0.09 -1.00 0.00 0.00 179.01 178.66 1upc h ARG 242 N 0.57 0.70 -0.47 2.33 2.43 -1.32 -3.09 114.38 115.52 1upc h ARG 242 Ca 0.13 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1upc h ARG 242 Cb 0.37 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1upc h ARG 242 CO 0.01 0.67 0.00 1.28 -1.51 0.00 0.00 179.97 180.42 1upc n LEU 243 N -4.55 3.28 -3.81 3.80 4.77 -0.95 -4.54 117.00 114.99 1upc n LEU 243 Ca 0.01 -1.51 -0.24 0.00 -0.03 0.00 0.00 56.01 54.24 1upc n LEU 243 Cb 0.18 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1upc n LEU 243 CO 0.38 0.75 -0.12 -3.20 -1.33 0.00 0.00 177.39 173.88 1upc n ASN 244 N 1.33 -1.11 -4.51 -1.43 5.15 -0.07 -1.61 115.26 113.00 1upc n ASN 244 Ca 0.20 -0.89 -0.37 0.00 -0.60 0.00 0.00 54.58 52.93 1upc n ASN 244 Cb 0.55 -3.67 -0.12 0.00 -0.53 0.00 0.00 39.78 36.02 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 -3.74 4.70 0.44 -1.44 1.01 -0.44 -4.49 121.20 117.25 1upc s ILE 245 Ca 0.06 -0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.41 1upc s ILE 245 Cb -0.03 -3.20 -0.08 0.00 0.01 0.00 0.00 42.46 39.15 1upc s ILE 245 CO 0.84 0.32 1.38 -2.84 0.00 0.00 0.00 174.94 174.65 1upc s PRO 246 N 1.53 3.73 -0.22 2.79 0.02 -1.26 -4.72 135.00 136.86 1upc s PRO 246 Ca 0.06 2.32 -0.05 0.00 0.02 0.00 0.00 61.00 63.36 1upc s PRO 246 Cb -0.15 -2.65 -0.02 0.00 0.02 0.00 0.00 34.50 31.70 1upc s PRO 246 CO 0.06 -0.75 -0.01 0.08 -0.33 0.00 0.00 177.00 176.05 1upc s VAL 247 N -1.23 3.70 0.03 3.83 1.01 -0.02 -1.40 120.40 126.32 1upc s VAL 247 Ca 0.61 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 62.26 1upc s VAL 247 Cb -0.42 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1upc s VAL 247 CO 0.53 0.40 -0.16 -0.63 0.00 0.00 0.00 175.10 175.25 1upc s ILE 248 N 1.43 2.96 0.25 2.22 1.01 0.55 -1.67 121.20 127.95 1upc s ILE 248 Ca 0.05 -1.08 0.08 0.00 0.00 0.00 0.00 60.65 59.70 1upc s ILE 248 Cb -0.15 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 1upc s ILE 248 CO -0.01 0.37 -0.11 0.42 0.00 0.00 0.00 174.94 175.61 1upc s THR 249 N -0.92 1.76 1.07 2.92 -4.23 -0.86 -0.55 115.64 114.82 1upc s THR 249 Ca 0.15 -2.19 -0.18 0.00 -1.18 0.00 0.00 61.69 58.29 1upc s THR 249 Cb -0.11 -2.26 0.26 0.00 1.34 0.00 0.00 72.50 71.73 1upc s THR 249 CO 0.05 -0.44 1.11 0.35 -0.54 0.00 0.00 174.62 175.15 1upc n THR 250 N -0.50 0.00 -0.06 3.99 -2.24 -0.88 -2.49 114.28 112.10 1upc n THR 250 Ca -0.06 -0.62 -0.09 0.00 -2.27 0.00 0.00 64.05 61.01 1upc n THR 250 Cb 0.62 -1.34 -0.02 0.00 -2.10 0.00 0.00 70.33 67.49 1upc n THR 250 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1upc h TYR 251 N -2.31 0.19 -0.01 4.78 0.05 -1.84 -3.12 116.97 114.71 1upc h TYR 251 Ca -0.39 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.40 1upc h TYR 251 Cb 1.15 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.84 1upc h TYR 251 CO 0.00 0.10 -0.31 0.44 -1.05 0.00 0.00 178.16 177.34 1upc n ILE 252 N -5.01 0.00 1.48 -2.88 -5.35 -1.26 -3.23 119.36 103.11 1upc n ILE 252 Ca -0.02 -0.15 0.11 0.00 -0.27 0.00 0.00 62.75 62.42 1upc n ILE 252 Cb 0.07 0.58 0.47 0.00 -1.74 0.00 0.00 39.64 39.03 1upc n ILE 252 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1upc n ALA 253 N -0.53 2.56 -1.66 -1.28 0.00 -1.18 -3.58 120.51 114.83 1upc n ALA 253 Ca 0.11 -0.41 -0.45 0.00 0.00 0.00 0.00 53.44 52.70 1upc n ALA 253 Cb 0.37 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 1upc n ALA 253 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1upc n LYS 254 N -0.01 1.92 -0.03 0.00 5.02 -1.20 -2.69 118.16 121.17 1upc n LYS 254 Ca 0.17 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 1upc n LYS 254 Cb 0.26 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 32.95 1upc n LYS 254 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1upc n GLY 255 N 2.15 0.46 0.23 0.72 0.00 -1.26 -3.76 105.19 103.73 1upc n GLY 255 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.23 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 0.83 -3.93 1.61 -1.51 -1.76 -2.89 116.25 108.59 1upc h VAL 256 Ca 0.00 -0.80 -0.68 0.00 -1.23 0.00 0.00 66.70 63.99 1upc h VAL 256 Cb 0.00 1.48 -0.22 0.00 -2.13 0.00 0.00 31.29 30.42 1upc h VAL 256 CO 0.00 0.20 -0.81 -0.76 -1.23 0.00 0.00 177.57 174.97 1upc s LEU 257 N -7.66 2.59 0.80 4.19 1.43 -1.26 -4.87 118.68 113.90 1upc s LEU 257 Ca -0.03 -0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 52.47 1upc s LEU 257 Cb 0.14 -1.50 0.08 0.00 0.03 0.00 0.00 46.19 44.94 1upc s LEU 257 CO 0.64 0.24 1.15 -2.84 0.23 0.00 0.00 176.35 175.77 1upc s PRO 258 N -1.61 1.80 0.21 1.29 0.02 -1.26 -4.86 135.00 130.59 1upc s PRO 258 Ca 0.15 1.54 -0.32 0.00 0.02 0.00 0.00 61.00 62.39 1upc s PRO 258 Cb -0.10 -1.82 -0.13 0.00 0.02 0.00 0.00 34.50 32.47 1upc s PRO 258 CO 0.06 -2.05 1.60 0.28 -0.33 0.00 0.00 177.00 176.56 1upc n VAL 259 N -3.41 0.36 -0.00 3.83 0.31 -1.26 -2.47 118.33 115.69 1upc n VAL 259 Ca 0.12 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1upc n VAL 259 Cb 0.52 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 1upc n VAL 259 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1upc n GLY 260 N 3.11 1.08 3.72 2.92 0.00 -1.26 -5.04 105.19 109.73 1upc n GLY 260 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 2.61 0.30 1.61 -0.00 -1.03 -4.91 115.22 111.81 1upc n HIS 261 Ca 0.00 0.30 0.19 0.00 -0.00 0.00 0.00 57.72 58.21 1upc n HIS 261 Cb 0.00 -2.55 0.92 0.00 -0.00 0.00 0.00 29.99 28.35 1upc n HIS 261 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 1upc h GLU 262 N 4.71 0.00 -0.01 1.57 4.11 -1.96 -2.59 114.58 120.41 1upc h GLU 262 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1upc h GLU 262 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1upc h GLU 262 CO 0.79 0.02 -0.33 1.28 0.07 0.00 0.00 179.01 180.84 1upc n LEU 263 N -3.16 1.39 -4.56 3.06 4.77 -1.26 -4.78 117.00 112.46 1upc n LEU 263 Ca -0.01 -0.44 -0.37 0.00 -0.03 0.00 0.00 56.01 55.16 1upc n LEU 263 Cb 0.20 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 1upc n LEU 263 CO 0.25 0.26 1.44 0.21 -1.33 0.00 0.00 177.39 178.22 1upc s ASN 264 N -2.48 6.13 0.00 -1.43 3.84 -0.98 -0.84 114.94 119.19 1upc s ASN 264 Ca 0.23 -1.25 0.18 0.00 0.21 0.00 0.00 52.86 52.23 1upc s ASN 264 Cb 0.19 -2.57 0.80 0.00 -0.55 0.00 0.00 41.25 39.12 1upc s ASN 264 CO 0.53 -1.84 1.55 -1.22 -2.79 0.00 0.00 177.10 173.33 1upc n TYR 265 N 10.26 0.14 0.00 0.43 4.02 -0.67 -4.95 117.16 126.40 1upc n TYR 265 Ca 0.35 -0.07 0.00 0.00 -0.01 0.00 0.00 57.90 58.17 1upc n TYR 265 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 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 0.97 0.35 3.96 2.72 0.00 -1.26 -4.94 105.19 106.98 1upc n GLY 266 Ca 0.14 -1.94 -0.23 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.54 3.90 -0.15 4.61 0.00 -1.26 -2.02 121.76 125.29 1upc s ALA 267 Ca 0.00 -1.10 -0.05 0.00 0.00 0.00 0.00 51.96 50.81 1upc s ALA 267 Cb 0.00 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 1upc s ALA 267 CO 0.00 0.30 0.01 0.08 0.00 0.00 0.00 175.76 176.16 1upc s VAL 268 N -1.95 4.35 0.06 0.00 1.01 -1.04 -4.83 120.40 118.01 1upc s VAL 268 Ca 0.35 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.17 1upc s VAL 268 Cb -0.10 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1upc s VAL 268 CO 0.30 0.50 -0.11 0.28 0.00 0.00 0.00 175.10 176.07 1upc s THR 269 N 0.12 0.85 -0.34 3.92 -1.32 -1.26 -4.62 115.64 112.99 1upc s THR 269 Ca 0.02 -1.19 0.26 0.00 -1.21 0.00 0.00 61.69 59.57 1upc s THR 269 Cb -0.13 -0.86 0.29 0.00 -1.51 0.00 0.00 72.50 70.29 1upc s THR 269 CO 0.02 -0.29 1.78 1.23 -2.21 0.00 0.00 174.62 175.15 1upc h GLY 270 N 4.41 0.00 1.58 6.08 0.00 -1.90 -1.99 103.07 111.25 1upc h GLY 270 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1upc h GLY 270 CO 0.40 0.00 -0.08 -1.72 0.00 0.00 0.00 176.54 175.15 1upc n TYR 271 N -2.45 0.00 0.07 5.60 4.02 -1.26 -4.38 117.16 118.75 1upc n TYR 271 Ca 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.92 1upc n TYR 271 Cb 0.25 -0.36 0.33 0.00 -0.02 0.00 0.00 39.34 39.55 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 0.09 0.35 0.06 -0.72 -0.00 -1.73 -1.68 114.93 111.30 1upc h MET 272 Ca 0.00 -0.09 -0.00 0.00 -0.00 0.00 0.00 59.70 59.61 1upc h MET 272 Cb 0.42 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 31.97 1upc h MET 272 CO 0.00 0.48 -0.03 -0.44 -0.00 0.00 0.00 176.91 176.92 1upc h ASP 273 N 0.33 -0.06 -0.96 -0.10 5.19 -1.79 -1.86 116.42 117.17 1upc h ASP 273 Ca 0.06 -0.31 0.04 0.00 -0.62 0.00 0.00 57.03 56.20 1upc h ASP 273 Cb 0.43 0.02 -0.06 0.00 0.18 0.00 0.00 39.33 39.89 1upc h ASP 273 CO 0.02 0.28 0.63 1.23 -3.12 0.00 0.00 179.24 178.29 1upc h GLY 274 N -0.42 1.40 0.87 2.75 0.00 -1.35 -1.24 103.07 105.08 1upc h GLY 274 Ca -0.01 -0.47 -0.16 0.00 0.00 0.00 0.00 47.33 46.70 1upc h GLY 274 CO 0.01 0.39 -0.57 -2.22 0.00 0.00 0.00 176.54 174.15 1upc h ILE 275 N 1.18 1.38 -0.01 2.60 2.04 -1.26 -3.25 117.51 120.20 1upc h ILE 275 Ca 0.39 -1.93 0.00 0.00 1.00 0.00 0.00 64.86 64.32 1upc h ILE 275 Cb 0.05 2.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1upc h ILE 275 CO -0.13 0.58 -0.11 0.18 0.00 0.00 0.00 178.15 178.67 1upc n LEU 276 N -4.20 0.70 -3.95 1.44 4.77 -0.71 -4.96 117.00 110.09 1upc n LEU 276 Ca -0.09 -0.13 -0.37 0.00 -0.03 0.00 0.00 56.01 55.39 1upc n LEU 276 Cb 0.64 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.62 1upc n LEU 276 CO 0.47 0.13 -0.17 0.59 -1.33 0.00 0.00 177.39 177.07 1upc n ASN 277 N -0.71 -3.79 -3.59 -1.43 3.02 -0.48 -4.95 115.26 103.33 1upc n ASN 277 Ca 0.16 -1.09 -0.12 0.00 -0.03 0.00 0.00 54.58 53.49 1upc n ASN 277 Cb 0.29 -1.40 -0.06 0.00 -0.61 0.00 0.00 39.78 37.99 1upc n ASN 277 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1upc s PHE 278 N -3.48 -0.52 -1.35 3.10 5.36 -1.14 -5.07 117.98 114.88 1upc s PHE 278 Ca 0.32 1.08 -0.16 0.00 -0.96 0.00 0.00 56.93 57.22 1upc s PHE 278 Cb -0.18 0.39 0.07 0.00 -0.34 0.00 0.00 43.02 42.96 1upc s PHE 278 CO 0.85 -0.37 1.89 -0.35 -1.46 0.00 0.00 175.22 175.78 1upc n PRO 279 N 1.50 3.11 -0.03 10.12 -0.04 -1.26 -4.44 135.00 143.95 1upc n PRO 279 Ca -0.13 -3.10 -0.15 0.00 -0.04 0.00 0.00 63.50 60.08 1upc n PRO 279 Cb 0.57 -3.38 -0.12 0.00 -0.04 0.00 0.00 33.50 30.52 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 6.96 0.00 -0.80 0.55 0.00 -1.90 -2.24 119.26 121.82 1upc h ALA 280 Ca 0.48 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1upc h ALA 280 Cb 0.78 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1upc h ALA 280 CO 1.60 0.06 0.37 -0.07 0.00 0.00 0.00 179.25 181.21 1upc h LEU 281 N -0.69 1.06 -0.66 0.00 3.38 -1.94 -0.33 115.31 116.14 1upc h LEU 281 Ca -0.03 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 1upc h LEU 281 Cb 1.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1upc h LEU 281 CO 0.04 0.90 -0.30 1.56 0.09 0.00 0.00 178.44 180.73 1upc h GLN 282 N 1.15 0.71 -0.62 1.13 1.08 -1.93 -1.37 115.11 115.26 1upc h GLN 282 Ca 0.27 -0.32 -0.06 0.00 -1.45 0.00 0.00 58.65 57.09 1upc h GLN 282 Cb 0.14 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 1upc h GLN 282 CO -0.03 0.92 0.14 1.15 -0.95 0.00 0.00 178.83 180.06 1upc h THR 283 N 0.60 1.25 -0.18 -0.54 2.02 -0.75 0.16 112.91 115.46 1upc h THR 283 Ca 0.07 -0.92 -0.17 0.00 0.77 0.00 0.00 66.41 66.16 1upc h THR 283 Cb 0.81 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1upc h THR 283 CO 0.07 0.35 -0.58 -0.03 0.37 0.00 0.00 175.52 175.70 1upc h MET 284 N 0.94 0.58 0.00 6.66 1.85 -0.84 -3.41 114.93 120.71 1upc h MET 284 Ca 0.20 -0.38 0.00 0.00 -0.61 0.00 0.00 59.70 58.90 1upc h MET 284 Cb 0.36 0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.44 1upc h MET 284 CO 0.00 1.00 -0.72 1.19 -0.40 0.00 0.00 176.91 177.98 1upc n PHE 285 N -3.95 0.00 -0.15 1.39 3.72 -0.54 -4.80 117.46 113.14 1upc n PHE 285 Ca -0.04 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.32 1upc n PHE 285 Cb 0.63 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.21 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 0.58 -0.00 4.37 0.00 -0.77 -2.13 119.26 121.30 1upc h ALA 286 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1upc h ALA 286 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1upc h ALA 286 CO 0.00 -0.15 -0.11 -0.35 0.00 0.00 0.00 179.25 178.64 1upc n PRO 287 N -4.93 0.62 -2.06 0.00 -0.04 -1.26 -2.28 135.00 125.05 1upc n PRO 287 Ca 0.03 -0.20 -0.41 0.00 -0.04 0.00 0.00 63.50 62.88 1upc n PRO 287 Cb 0.13 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 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 -2.52 2.79 -0.45 0.52 1.01 -0.80 -4.72 120.40 116.23 1upc s VAL 288 Ca 0.28 0.65 0.06 0.00 0.00 0.00 0.00 61.98 62.97 1upc s VAL 288 Cb 0.20 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 1upc s VAL 288 CO 0.48 0.10 0.39 -0.90 0.00 0.00 0.00 175.10 175.17 1upc n ASP 289 N 2.54 0.66 -3.70 3.32 5.75 -1.03 -4.67 116.55 119.42 1upc n ASP 289 Ca 0.07 -0.83 -0.13 0.00 -0.01 0.00 0.00 54.79 53.89 1upc n ASP 289 Cb 0.41 0.70 -0.13 0.00 -1.03 0.00 0.00 41.12 41.07 1upc n ASP 289 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1upc s LEU 290 N -1.77 0.09 -0.27 -2.12 2.96 -1.26 -1.66 118.68 114.66 1upc s LEU 290 Ca 0.04 0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 54.46 1upc s LEU 290 Cb 0.05 0.67 0.03 0.00 0.50 0.00 0.00 46.19 47.44 1upc s LEU 290 CO 0.20 -0.20 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.30 1upc s VAL 291 N 1.82 2.91 -0.47 1.68 1.01 -0.73 -0.91 120.40 125.71 1upc s VAL 291 Ca -0.04 -1.15 -0.16 0.00 0.00 0.00 0.00 61.98 60.62 1upc s VAL 291 Cb -0.11 -2.55 0.06 0.00 0.00 0.00 0.00 36.38 33.78 1upc s VAL 291 CO -0.08 0.09 0.45 -0.76 0.00 0.00 0.00 175.10 174.80 1upc s LEU 292 N 1.30 5.37 -0.83 3.92 1.02 -0.52 -1.71 118.68 127.22 1upc s LEU 292 Ca -0.02 -1.15 -0.22 0.00 0.02 0.00 0.00 54.13 52.76 1upc s LEU 292 Cb -0.18 -2.26 0.08 0.00 0.02 0.00 0.00 46.19 43.85 1upc s LEU 292 CO -0.03 -0.69 1.15 0.42 0.02 0.00 0.00 176.35 177.22 1upc s THR 293 N 1.93 4.32 -0.45 5.49 -4.23 0.54 -1.10 115.64 122.13 1upc s THR 293 Ca 0.07 -0.77 -0.25 0.00 -1.18 0.00 0.00 61.69 59.56 1upc s THR 293 Cb -0.22 -4.82 0.03 0.00 1.34 0.00 0.00 72.50 68.83 1upc s THR 293 CO 0.09 -1.61 0.92 -0.69 -0.54 0.00 0.00 174.62 172.78 1upc s VAL 294 N 3.95 4.49 -0.43 2.29 1.01 -0.23 -1.79 120.40 129.69 1upc s VAL 294 Ca 0.32 0.77 -0.02 0.00 0.00 0.00 0.00 61.98 63.04 1upc s VAL 294 Cb -0.08 -4.42 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1upc s VAL 294 CO 0.00 -0.80 0.37 0.61 0.00 0.00 0.00 175.10 175.27 1upc n GLY 295 N 4.89 0.36 3.77 4.51 0.00 0.89 -1.86 105.19 117.74 1upc n GLY 295 Ca 0.06 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.11 3.07 -0.27 1.61 5.04 -0.93 -4.06 117.35 118.70 1upc s TYR 296 Ca 0.12 1.53 -0.03 0.00 -2.44 0.00 0.00 57.07 56.25 1upc s TYR 296 Cb -0.05 -3.46 0.15 0.00 0.35 0.00 0.00 41.96 38.95 1upc s TYR 296 CO 0.24 -1.44 0.50 0.34 -1.34 0.00 0.00 175.55 173.85 1upc s ASP 297 N -0.97 -0.61 0.56 4.32 -1.08 -1.26 -4.84 116.67 112.79 1upc s ASP 297 Ca 0.55 0.67 0.26 0.00 -0.52 0.00 0.00 52.55 53.51 1upc s ASP 297 Cb -0.33 1.68 1.48 0.00 -1.46 0.00 0.00 42.92 44.29 1upc s ASP 297 CO 0.42 -0.27 2.04 0.22 0.52 0.00 0.00 175.17 178.10 1upc h TYR 298 N 8.09 0.00 0.00 -5.34 3.20 -1.96 -1.27 116.97 119.70 1upc h TYR 298 Ca -0.21 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.66 1upc h TYR 298 Cb 1.15 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.42 1upc h TYR 298 CO 0.13 0.00 0.00 0.00 -1.64 0.00 0.00 178.16 176.65 1upc h ALA 299 N 1.75 1.00 0.00 1.82 0.00 -1.95 -1.87 119.26 120.01 1upc h ALA 299 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1upc h ALA 299 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1upc h ALA 299 CO -0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 1upc n GLU 300 N -3.03 0.02 -1.07 0.00 1.02 -0.48 -3.23 120.64 113.87 1upc n GLU 300 Ca -0.01 0.07 -0.02 0.00 -0.02 0.00 0.00 57.16 57.18 1upc n GLU 300 Cb 0.19 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 30.08 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 -1.55 -3.39 -4.39 1.62 2.03 -0.70 -4.69 116.55 105.47 1upc n ASP 301 Ca 0.06 0.06 -0.45 0.00 0.52 0.00 0.00 54.79 54.98 1upc n ASP 301 Cb 0.31 -1.10 -0.04 0.00 -0.72 0.00 0.00 41.12 39.58 1upc n ASP 301 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1upc s LEU 302 N -0.54 5.40 0.28 -2.67 2.96 -1.26 -4.83 118.68 118.02 1upc s LEU 302 Ca 0.00 -1.66 0.01 0.00 -0.22 0.00 0.00 54.13 52.25 1upc s LEU 302 Cb 0.00 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 1upc s LEU 302 CO 0.00 -1.07 0.47 -0.13 -1.32 0.00 0.00 176.35 174.30 1upc s ARG 303 N 2.51 3.50 0.27 1.98 0.52 -1.26 -4.84 118.95 121.62 1upc s ARG 303 Ca 0.17 -0.40 -0.01 0.00 -0.52 0.00 0.00 55.73 54.98 1upc s ARG 303 Cb -0.18 -2.76 0.52 0.00 0.52 0.00 0.00 34.95 33.05 1upc s ARG 303 CO 0.02 0.28 1.80 -1.35 0.02 0.00 0.00 175.30 176.06 1upc h PRO 304 N 1.25 0.75 -0.52 3.54 0.11 -1.96 -2.22 132.00 132.95 1upc h PRO 304 Ca -0.50 -0.05 0.15 0.00 0.11 0.00 0.00 66.00 65.72 1upc h PRO 304 Cb 1.21 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1upc h PRO 304 CO 0.63 0.50 0.39 0.66 -0.21 0.00 0.00 178.00 179.97 1upc h SER 305 N 0.78 0.00 0.90 -2.05 4.64 -1.93 -0.97 113.55 114.92 1upc h SER 305 Ca 0.46 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.71 1upc h SER 305 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1upc h SER 305 CO -0.31 0.00 -0.37 0.24 -0.87 0.00 0.00 176.83 175.52 1upc h MET 306 N 0.00 0.00 -0.02 4.77 2.86 -1.75 -3.11 114.93 117.69 1upc h MET 306 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1upc h MET 306 Cb 1.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.67 1upc h MET 306 CO -0.00 0.37 -0.44 -2.67 1.06 0.00 0.00 176.91 175.22 1upc n TRP 307 N -3.50 0.00 -2.74 -0.22 2.14 -0.43 -4.76 117.44 107.93 1upc n TRP 307 Ca -0.00 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.14 1upc n TRP 307 Cb 0.52 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 31.01 1upc n TRP 307 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1upc s GLN 308 N -2.42 3.90 -0.06 -2.67 -0.21 -0.82 -4.88 119.66 112.50 1upc s GLN 308 Ca 0.19 -2.00 -0.03 0.00 0.02 0.00 0.00 55.36 53.54 1upc s GLN 308 Cb 0.18 -5.27 0.04 0.00 1.00 0.00 0.00 33.01 28.95 1upc s GLN 308 CO 0.55 -2.03 0.13 0.15 -2.12 0.00 0.00 175.29 171.97 1upc s LYS 309 N 3.32 0.06 7.23 2.91 -0.14 -1.26 -4.97 119.74 126.89 1upc s LYS 309 Ca 0.46 0.39 0.00 0.00 -1.36 0.00 0.00 55.97 55.46 1upc s LYS 309 Cb -0.00 -0.22 0.00 0.00 -1.68 0.00 0.00 37.83 35.93 1upc s LYS 309 CO -0.00 -0.20 0.00 0.41 -0.76 0.00 0.00 175.35 174.80 1upc n GLY 310 N 4.47 1.71 3.80 -3.33 0.00 -1.26 -3.72 105.19 106.85 1upc n GLY 310 Ca -0.21 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 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 3.68 0.42 -0.61 -4.36 -0.97 -5.00 121.20 114.36 1upc s ILE 311 Ca 0.00 0.55 -0.26 0.00 -0.26 0.00 0.00 60.65 60.67 1upc s ILE 311 Cb 0.00 -3.20 -0.09 0.00 1.25 0.00 0.00 42.46 40.42 1upc s ILE 311 CO 0.00 -0.71 1.40 -1.61 0.24 0.00 0.00 174.94 174.25 1upc s GLU 312 N -5.01 3.87 0.10 0.37 0.41 -1.26 -4.97 118.70 112.20 1upc s GLU 312 Ca 0.59 2.36 0.10 0.00 -0.41 0.00 0.00 54.97 57.61 1upc s GLU 312 Cb -0.15 -2.76 -0.03 0.00 -1.78 0.00 0.00 34.13 29.41 1upc s GLU 312 CO 0.55 -0.65 -0.25 0.15 -0.49 0.00 0.00 175.26 174.58 1upc s LYS 313 N -2.30 1.41 0.27 1.61 1.02 -1.26 -4.72 119.74 115.78 1upc s LYS 313 Ca 0.58 -1.21 -0.09 0.00 0.02 0.00 0.00 55.97 55.27 1upc s LYS 313 Cb -0.42 -1.74 -0.07 0.00 -0.52 0.00 0.00 37.83 35.07 1upc s LYS 313 CO 0.55 0.42 0.59 0.15 -0.92 0.00 0.00 175.35 176.15 1upc s LYS 314 N -1.75 3.77 0.09 1.68 -0.14 -0.66 -4.97 119.74 117.76 1upc s LYS 314 Ca 0.11 0.25 0.08 0.00 -1.36 0.00 0.00 55.97 55.05 1upc s LYS 314 Cb -0.10 -2.60 -0.03 0.00 -1.68 0.00 0.00 37.83 33.42 1upc s LYS 314 CO 0.04 0.24 -0.20 0.95 -0.76 0.00 0.00 175.35 175.62 1upc s THR 315 N -1.97 1.61 -0.12 2.17 -4.23 -1.26 -1.77 115.64 110.07 1upc s THR 315 Ca 0.47 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1upc s THR 315 Cb -0.11 -1.47 0.02 0.00 1.34 0.00 0.00 72.50 72.28 1upc s THR 315 CO 0.24 -0.07 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.45 1upc s VAL 316 N -1.16 1.27 -0.15 2.29 1.01 -0.70 -1.97 120.40 121.00 1upc s VAL 316 Ca 0.05 -0.46 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 1upc s VAL 316 Cb -0.10 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 1upc s VAL 316 CO 0.04 0.41 0.30 -0.60 0.00 0.00 0.00 175.10 175.25 1upc s ARG 317 N 1.43 4.21 -0.14 2.72 3.52 -0.43 -0.34 118.95 129.91 1upc s ARG 317 Ca 0.01 0.12 0.00 0.00 -0.13 0.00 0.00 55.73 55.74 1upc s ARG 317 Cb -0.13 -3.41 0.02 0.00 -1.56 0.00 0.00 34.95 29.87 1upc s ARG 317 CO -0.07 0.28 -0.13 0.42 -0.81 0.00 0.00 175.30 174.99 1upc s ILE 318 N 0.34 1.46 -0.20 4.11 1.09 -0.74 -0.18 121.20 127.09 1upc s ILE 318 Ca 0.17 -0.57 -0.27 0.00 -1.10 0.00 0.00 60.65 58.88 1upc s ILE 318 Cb -0.13 -1.40 0.07 0.00 -1.06 0.00 0.00 42.46 39.94 1upc s ILE 318 CO 0.05 0.43 0.70 -0.55 -0.10 0.00 0.00 174.94 175.47 1upc s SER 319 N 1.53 -0.72 -0.07 3.58 0.15 -0.91 -0.08 113.70 117.18 1upc s SER 319 Ca 0.05 1.21 0.00 0.00 0.70 0.00 0.00 55.95 57.91 1upc s SER 319 Cb -0.13 1.17 0.07 0.00 -1.71 0.00 0.00 66.02 65.42 1upc s SER 319 CO -0.10 -0.36 1.57 -0.81 1.20 0.00 0.00 173.24 174.74 1upc n PRO 320 N 2.13 1.19 -3.95 5.44 -0.04 -1.00 -2.20 135.00 136.56 1upc n PRO 320 Ca -0.16 -0.40 -0.10 0.00 -0.04 0.00 0.00 63.50 62.81 1upc n PRO 320 Cb 0.56 -1.16 -0.10 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.52 0.11 0.39 0.52 -4.23 -1.26 -1.54 115.64 109.12 1upc s THR 321 Ca 0.08 -0.92 -0.27 0.00 -1.18 0.00 0.00 61.69 59.40 1upc s THR 321 Cb 0.06 -0.44 -0.10 0.00 1.34 0.00 0.00 72.50 73.37 1upc s THR 321 CO 0.01 -0.51 1.40 -0.69 -0.54 0.00 0.00 174.62 174.29 1upc s VAL 322 N -1.69 2.30 -0.19 2.29 1.01 -1.26 -4.83 120.40 118.03 1upc s VAL 322 Ca -0.13 0.28 -0.28 0.00 0.00 0.00 0.00 61.98 61.85 1upc s VAL 322 Cb -0.07 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1upc s VAL 322 CO -0.01 0.06 2.10 0.21 0.00 0.00 0.00 175.10 177.45 1upc s ASN 323 N -0.43 5.72 0.00 3.32 2.47 -1.26 -4.88 114.94 119.87 1upc s ASN 323 Ca 0.55 1.94 0.27 0.00 0.42 0.00 0.00 52.86 56.05 1upc s ASN 323 Cb -0.43 -2.52 0.96 0.00 -1.45 0.00 0.00 41.25 37.82 1upc s ASN 323 CO 0.56 -1.74 1.73 -0.81 -3.72 0.00 0.00 177.10 173.12 1upc n PRO 324 N 8.46 0.03 -2.60 0.43 -0.04 -1.26 -4.43 135.00 135.59 1upc n PRO 324 Ca 0.27 -0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.50 1upc n PRO 324 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.47 1.97 0.28 0.52 -5.35 -1.26 -4.89 119.36 109.16 1upc n ILE 325 Ca 0.07 -4.49 0.17 0.00 -0.27 0.00 0.00 62.75 58.23 1upc n ILE 325 Cb 0.33 -0.73 0.88 0.00 -1.74 0.00 0.00 39.64 38.38 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 2.74 0.00 -0.17 6.28 0.13 -1.78 0.23 132.00 139.44 1upc h PRO 326 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 1upc h PRO 326 Cb 0.95 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1upc h PRO 326 CO 0.74 0.00 0.01 -0.09 -0.23 0.00 0.00 178.00 178.43 1upc h ARG 327 N 0.00 0.24 0.00 0.86 2.43 -1.98 -3.34 114.38 112.59 1upc h ARG 327 Ca 0.00 -0.03 -0.30 0.00 -0.81 0.00 0.00 59.98 58.84 1upc h ARG 327 Cb 0.10 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 1upc h ARG 327 CO 0.00 0.25 -2.13 0.28 -1.51 0.00 0.00 179.97 176.86 1upc n VAL 328 N -4.41 1.14 -3.75 0.20 0.31 -0.08 -4.92 118.33 106.83 1upc n VAL 328 Ca -0.00 -0.47 -0.29 0.00 -0.01 0.00 0.00 64.34 63.57 1upc n VAL 328 Cb 0.16 -1.13 -0.16 0.00 -0.91 0.00 0.00 33.84 31.81 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 -2.40 1.47 -0.78 3.52 5.04 -0.34 -4.86 117.35 119.01 1upc s TYR 329 Ca -0.24 -1.38 -0.06 0.00 -2.44 0.00 0.00 57.07 52.95 1upc s TYR 329 Cb 0.07 -1.42 0.20 0.00 0.35 0.00 0.00 41.96 41.16 1upc s TYR 329 CO 0.49 -0.77 0.65 1.03 -1.34 0.00 0.00 175.55 175.61 1upc s ARG 330 N 1.70 3.11 0.50 4.97 1.81 -1.26 -4.15 118.95 125.64 1upc s ARG 330 Ca 0.04 -2.76 -0.23 0.00 -1.72 0.00 0.00 55.73 51.07 1upc s ARG 330 Cb -0.17 -4.01 -0.06 0.00 -0.45 0.00 0.00 34.95 30.25 1upc s ARG 330 CO -0.17 -1.23 1.31 -1.25 -0.68 0.00 0.00 175.30 173.28 1upc s PRO 331 N -0.42 3.42 0.32 3.54 0.04 -1.26 -4.91 135.00 135.73 1upc s PRO 331 Ca 0.21 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1upc s PRO 331 Cb -0.14 -2.38 0.55 0.00 0.04 0.00 0.00 34.50 32.57 1upc s PRO 331 CO -0.07 -0.93 1.98 -0.44 0.04 0.00 0.00 177.00 177.58 1upc h ASP 332 N 1.80 0.84 -3.29 6.66 3.32 -1.78 -3.41 116.42 120.56 1upc h ASP 332 Ca -0.50 -0.02 -0.49 0.00 0.02 0.00 0.00 57.03 56.04 1upc h ASP 332 Cb 1.28 -0.21 -0.36 0.00 0.22 0.00 0.00 39.33 40.26 1upc h ASP 332 CO 0.59 0.60 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.22 1upc s VAL 333 N -5.83 0.83 -0.28 -1.35 1.01 -0.96 -5.04 120.40 108.78 1upc s VAL 333 Ca -0.11 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 1upc s VAL 333 Cb 0.18 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 1upc s VAL 333 CO 0.78 0.32 0.10 -0.62 0.00 0.00 0.00 175.10 175.68 1upc s ASP 334 N 1.43 5.29 -0.42 3.32 -1.08 -1.26 -1.32 116.67 122.63 1upc s ASP 334 Ca -0.01 -0.44 -0.04 0.00 -0.52 0.00 0.00 52.55 51.54 1upc s ASP 334 Cb -0.13 -1.94 0.11 0.00 -1.46 0.00 0.00 42.92 39.49 1upc s ASP 334 CO -0.04 -0.13 0.22 -0.69 0.52 0.00 0.00 175.17 175.06 1upc s VAL 335 N 1.59 3.50 -0.56 1.11 1.01 0.75 -4.90 120.40 122.90 1upc s VAL 335 Ca 0.05 -1.93 -0.17 0.00 0.00 0.00 0.00 61.98 59.92 1upc s VAL 335 Cb -0.16 -3.35 0.11 0.00 0.00 0.00 0.00 36.38 32.98 1upc s VAL 335 CO 0.04 -0.67 0.60 -0.69 0.00 0.00 0.00 175.10 174.38 1upc s VAL 336 N 1.21 5.02 0.12 2.92 1.01 -1.26 -2.14 120.40 127.27 1upc s VAL 336 Ca 0.07 -1.23 -0.25 0.00 0.00 0.00 0.00 61.98 60.56 1upc s VAL 336 Cb -0.23 -4.41 0.08 0.00 0.00 0.00 0.00 36.38 31.82 1upc s VAL 336 CO -0.03 -0.99 1.08 0.28 0.00 0.00 0.00 175.10 175.44 1upc s THR 337 N 2.14 0.00 0.33 3.92 -1.32 -0.94 -0.80 115.64 118.97 1upc s THR 337 Ca 0.07 -0.52 -0.29 0.00 -1.21 0.00 0.00 61.69 59.75 1upc s THR 337 Cb -0.27 -2.42 -0.11 0.00 -1.51 0.00 0.00 72.50 68.20 1upc s THR 337 CO 0.05 0.00 1.45 -0.62 -2.21 0.00 0.00 174.62 173.29 1upc s ASP 338 N -3.20 6.52 0.12 8.08 2.15 -1.26 -2.39 116.67 126.69 1upc s ASP 338 Ca 0.18 2.87 -0.17 0.00 0.43 0.00 0.00 52.55 55.85 1upc s ASP 338 Cb -0.01 -2.65 -0.03 0.00 -0.30 0.00 0.00 42.92 39.93 1upc s ASP 338 CO 0.02 -0.76 1.66 0.58 -0.17 0.00 0.00 175.17 176.51 1upc h VAL 339 N 3.17 1.18 -0.36 1.11 2.07 -1.92 -1.31 116.25 120.19 1upc h VAL 339 Ca -0.49 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1upc h VAL 339 Cb 1.23 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1upc h VAL 339 CO 0.70 0.20 0.14 0.25 0.02 0.00 0.00 177.57 178.88 1upc h LEU 340 N 0.39 0.50 -0.98 2.57 5.85 -1.91 -1.50 115.31 120.22 1upc h LEU 340 Ca 0.11 -0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.77 1upc h LEU 340 Cb 0.18 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 1upc h LEU 340 CO -0.01 0.53 0.61 0.00 -0.34 0.00 0.00 178.44 179.24 1upc h ALA 341 N 0.99 1.44 0.08 1.25 0.00 -1.89 -1.01 119.26 120.11 1upc h ALA 341 Ca 0.12 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1upc h ALA 341 Cb 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1upc h ALA 341 CO -0.01 0.26 -0.04 0.35 0.00 0.00 0.00 179.25 179.81 1upc h PHE 342 N 1.01 -0.09 -0.85 0.00 3.57 -0.49 -1.64 116.94 118.44 1upc h PHE 342 Ca 0.47 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.96 1upc h PHE 342 Cb 0.40 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 1upc h PHE 342 CO -0.01 -0.04 0.51 0.28 -2.23 0.00 0.00 178.31 176.82 1upc h VAL 343 N -0.12 1.24 -0.54 1.41 2.07 -0.52 0.11 116.25 119.89 1upc h VAL 343 Ca -0.01 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 1upc h VAL 343 Cb 0.09 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1upc h VAL 343 CO 0.02 0.25 0.16 -0.33 0.02 0.00 0.00 177.57 177.68 1upc h GLU 344 N 1.17 0.85 -0.53 1.57 5.08 -1.15 -0.18 114.58 121.39 1upc h GLU 344 Ca 0.31 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1upc h GLU 344 Cb -0.04 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1upc h GLU 344 CO -0.06 0.79 -0.04 1.25 -1.00 0.00 0.00 179.01 179.95 1upc h HIS 345 N 0.76 1.07 -0.42 4.33 2.76 -0.70 -3.07 115.15 119.87 1upc h HIS 345 Ca 0.17 -0.20 -0.10 0.00 -2.20 0.00 0.00 60.37 58.05 1upc h HIS 345 Cb 0.30 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 1upc h HIS 345 CO 0.02 0.99 -0.14 0.35 -1.30 0.00 0.00 177.93 177.85 1upc h PHE 346 N 0.84 0.85 -0.50 5.26 3.57 -0.59 -2.40 116.94 123.96 1upc h PHE 346 Ca 0.15 -0.16 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1upc h PHE 346 Cb 0.59 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1upc h PHE 346 CO 0.04 0.86 0.30 0.93 -2.23 0.00 0.00 178.31 178.21 1upc h GLU 347 N 0.69 0.57 -0.40 1.11 4.39 -0.94 -1.36 114.58 118.65 1upc h GLU 347 Ca 0.11 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 1upc h GLU 347 Cb 0.62 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1upc h GLU 347 CO 0.04 0.38 0.07 1.15 -1.16 0.00 0.00 179.01 179.50 1upc h THR 348 N 0.59 1.24 0.00 1.13 2.02 -1.44 -0.95 112.91 115.50 1upc h THR 348 Ca 0.20 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 1upc h THR 348 Cb 0.02 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1upc h THR 348 CO -0.09 0.29 -0.12 0.00 0.37 0.00 0.00 175.52 175.97 1upc h ALA 349 N 0.93 1.12 -0.23 6.16 0.00 -1.19 -3.12 119.26 122.92 1upc h ALA 349 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1upc h ALA 349 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1upc h ALA 349 CO 0.01 0.15 0.00 0.25 0.00 0.00 0.00 179.25 179.66 1upc n THR 350 N -3.41 0.88 -0.32 0.00 -2.24 -0.53 -4.70 114.28 103.95 1upc n THR 350 Ca -0.01 -0.94 0.11 0.00 -2.27 0.00 0.00 64.05 60.94 1upc n THR 350 Cb 0.30 0.58 0.33 0.00 -2.10 0.00 0.00 70.33 69.44 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 1.55 1.73 0.00 6.98 0.00 -1.11 -1.85 119.26 126.56 1upc h ALA 351 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1upc h ALA 351 Cb 0.64 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1upc h ALA 351 CO 0.00 -0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.11 1upc n SER 352 N -4.63 0.00 -4.76 0.00 3.41 -1.26 -4.93 113.62 101.46 1upc n SER 352 Ca 0.20 -0.18 -0.40 0.00 -0.26 0.00 0.00 58.87 58.22 1upc n SER 352 Cb 0.48 -0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.12 1upc n SER 352 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1upc s PHE 353 N -2.53 3.76 0.23 7.33 0.40 -0.70 -5.01 117.98 121.46 1upc s PHE 353 Ca 0.28 1.80 -0.30 0.00 -0.60 0.00 0.00 56.93 58.11 1upc s PHE 353 Cb 0.19 -3.15 -0.09 0.00 0.51 0.00 0.00 43.02 40.49 1upc s PHE 353 CO 0.43 -0.11 1.07 0.20 0.70 0.00 0.00 175.22 177.51 1upc s GLY 354 N -1.02 2.99 0.40 4.36 0.00 -1.26 -5.00 107.32 107.79 1upc s GLY 354 Ca 0.43 0.81 -0.25 0.00 0.00 0.00 0.00 44.72 45.71 1upc s GLY 354 CO 0.37 1.50 0.92 0.00 0.00 0.00 0.00 173.10 175.89 1upc n ALA 355 N 1.72 -0.25 -2.33 3.20 0.00 -1.26 -4.99 120.51 116.60 1upc n ALA 355 Ca 0.00 0.25 -0.27 0.00 0.00 0.00 0.00 53.44 53.41 1upc n ALA 355 Cb 0.46 -2.01 -0.01 0.00 0.00 0.00 0.00 19.45 17.89 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 -1.85 3.58 -0.22 0.00 -0.14 -0.63 -4.98 119.74 115.50 1upc s LYS 356 Ca 0.63 0.15 -0.22 0.00 -1.36 0.00 0.00 55.97 55.17 1upc s LYS 356 Cb -0.59 -2.44 -0.02 0.00 -1.68 0.00 0.00 37.83 33.10 1upc s LYS 356 CO 0.57 -0.10 0.70 -0.65 -0.76 0.00 0.00 175.35 175.12 1upc s GLN 357 N -4.44 4.18 0.17 1.68 -1.52 -1.26 -4.69 119.66 113.78 1upc s GLN 357 Ca 0.47 0.72 -0.11 0.00 -1.95 0.00 0.00 55.36 54.49 1upc s GLN 357 Cb -0.10 -3.62 -0.07 0.00 -0.22 0.00 0.00 33.01 29.00 1upc s GLN 357 CO 0.40 -0.38 0.51 -0.98 -0.25 0.00 0.00 175.29 174.60 1upc s ARG 358 N 2.37 3.83 0.57 2.91 1.70 -1.26 -4.68 118.95 124.39 1upc s ARG 358 Ca 0.31 0.30 -0.16 0.00 -0.47 0.00 0.00 55.73 55.70 1upc s ARG 358 Cb -0.16 -2.81 -0.05 0.00 -0.57 0.00 0.00 34.95 31.37 1upc s ARG 358 CO 0.09 0.42 1.04 -3.38 -1.08 0.00 0.00 175.30 172.40 1upc s HIS 359 N -1.62 3.07 -0.24 5.89 -3.43 -1.26 -5.01 115.29 112.69 1upc s HIS 359 Ca 0.41 1.51 -0.23 0.00 -0.80 0.00 0.00 55.06 55.96 1upc s HIS 359 Cb -0.13 -2.97 -0.01 0.00 -1.43 0.00 0.00 32.58 28.03 1upc s HIS 359 CO 0.20 -0.97 0.73 0.34 -2.00 0.00 0.00 174.74 173.05 1upc s ASP 360 N -2.78 6.72 -0.07 7.38 2.15 -1.26 -4.92 116.67 123.88 1upc s ASP 360 Ca 0.63 0.88 0.11 0.00 0.43 0.00 0.00 52.55 54.60 1upc s ASP 360 Cb -0.15 -2.39 0.16 0.00 -0.30 0.00 0.00 42.92 40.25 1upc s ASP 360 CO 0.35 -0.44 1.06 2.30 -0.17 0.00 0.00 175.17 178.27 1upc n ILE 361 N 5.19 1.35 -0.32 4.11 -5.35 -1.26 -4.86 119.36 118.22 1upc n ILE 361 Ca 0.02 -1.56 0.12 0.00 -0.27 0.00 0.00 62.75 61.06 1upc n ILE 361 Cb 0.48 0.11 0.30 0.00 -1.74 0.00 0.00 39.64 38.79 1upc n ILE 361 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1upc h GLU 362 N 0.00 0.54 -0.74 6.28 4.39 -1.98 -0.28 114.58 122.80 1upc h GLU 362 Ca 0.00 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.73 1upc h GLU 362 Cb 0.90 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.38 1upc h GLU 362 CO 0.00 0.36 0.49 -1.35 -1.16 0.00 0.00 179.01 177.35 1upc h PRO 363 N 0.56 0.74 -0.26 2.33 0.11 -1.99 0.50 132.00 134.00 1upc h PRO 363 Ca 0.55 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.45 1upc h PRO 363 Cb 0.94 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1upc h PRO 363 CO -0.44 0.49 -0.49 1.25 -0.21 0.00 0.00 178.00 178.60 1upc h LEU 364 N 0.77 0.88 -0.97 2.35 5.85 -1.47 -2.23 115.31 120.49 1upc h LEU 364 Ca 0.32 -0.54 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 1upc h LEU 364 Cb 0.27 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1upc h LEU 364 CO -0.11 1.25 0.16 0.03 -0.34 0.00 0.00 178.44 179.43 1upc h ARG 365 N 0.54 0.92 -0.44 1.25 3.08 -0.95 -1.07 114.38 117.70 1upc h ARG 365 Ca 0.01 -0.19 -0.12 0.00 0.07 0.00 0.00 59.98 59.76 1upc h ARG 365 Cb 1.09 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 1upc h ARG 365 CO 0.11 0.80 -0.20 0.00 -1.07 0.00 0.00 179.97 179.62 1upc h ALA 366 N 1.30 0.82 -0.38 0.04 0.00 -0.91 -1.52 119.26 118.61 1upc h ALA 366 Ca 0.19 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1upc h ALA 366 Cb 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1upc h ALA 366 CO -0.00 0.65 0.02 -0.09 0.00 0.00 0.00 179.25 179.82 1upc h ARG 367 N 0.76 0.66 -0.22 0.00 9.65 -1.00 -1.95 114.38 122.27 1upc h ARG 367 Ca 0.11 -0.20 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 1upc h ARG 367 Cb 0.73 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.23 1upc h ARG 367 CO 0.06 0.74 0.10 0.82 2.80 0.00 0.00 179.97 184.49 1upc h ILE 368 N 0.49 1.15 -0.13 1.20 2.04 -1.12 -1.79 117.51 119.34 1upc h ILE 368 Ca 0.11 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1upc h ILE 368 Cb 0.43 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1upc h ILE 368 CO 0.02 0.15 0.03 0.00 0.00 0.00 0.00 178.15 178.35 1upc h ALA 369 N 0.95 1.81 0.15 1.87 0.00 -1.22 -1.76 119.26 121.07 1upc h ALA 369 Ca 0.07 -0.06 -0.29 0.00 0.00 0.00 0.00 54.91 54.64 1upc h ALA 369 Cb 0.15 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1upc h ALA 369 CO -0.01 0.16 -1.30 1.49 0.00 0.00 0.00 179.25 179.59 1upc h GLU 370 N 0.19 0.32 -0.09 0.00 4.81 -1.20 -1.52 114.58 117.08 1upc h GLU 370 Ca 0.05 -0.54 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1upc h GLU 370 Cb 0.08 0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 1upc h GLU 370 CO -0.00 1.26 0.04 0.74 -0.73 0.00 0.00 179.01 180.31 1upc h PHE 371 N 0.09 0.14 -0.01 0.92 -1.00 -0.79 -2.37 116.94 113.91 1upc h PHE 371 Ca -0.16 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.60 1upc h PHE 371 Cb 2.01 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 41.53 1upc h PHE 371 CO 0.08 0.24 -0.04 -0.07 -1.61 0.00 0.00 178.31 176.90 1upc h LEU 372 N -0.00 0.01 -0.99 1.54 3.38 -1.36 -2.77 115.31 115.13 1upc h LEU 372 Ca 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1upc h LEU 372 Cb 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1upc h LEU 372 CO -0.00 0.06 -0.15 0.00 0.09 0.00 0.00 178.44 178.43 1upc n ALA 373 N -2.53 2.87 -1.37 1.53 0.00 -0.57 -4.78 120.51 115.65 1upc n ALA 373 Ca -0.03 -0.51 -0.51 0.00 0.00 0.00 0.00 53.44 52.40 1upc n ALA 373 Cb 0.13 -1.04 -0.13 0.00 0.00 0.00 0.00 19.45 18.41 1upc n ALA 373 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1upc n ASP 374 N 0.09 0.56 -0.27 0.00 -0.08 -0.90 -4.81 116.55 111.14 1upc n ASP 374 Ca 0.14 0.44 0.13 0.00 -1.51 0.00 0.00 54.79 54.00 1upc n ASP 374 Cb 0.41 -0.92 0.43 0.00 2.34 0.00 0.00 41.12 43.38 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 7.98 0.95 -1.89 -0.67 -0.04 -1.26 -4.93 135.00 135.13 1upc n PRO 375 Ca 0.60 -0.54 -0.36 0.00 -0.04 0.00 0.00 63.50 63.16 1upc n PRO 375 Cb -0.00 -1.49 0.05 0.00 -0.04 0.00 0.00 33.50 32.02 1upc n PRO 375 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1upc s GLU 376 N -2.42 2.80 -0.16 0.54 2.12 -1.26 -5.03 118.70 115.29 1upc s GLU 376 Ca 0.27 1.86 -0.05 0.00 0.36 0.00 0.00 54.97 57.41 1upc s GLU 376 Cb 0.20 -1.90 -0.03 0.00 0.26 0.00 0.00 34.13 32.65 1upc s GLU 376 CO 0.49 -1.35 -0.01 0.99 -0.54 0.00 0.00 175.26 174.84 1upc s THR 377 N -1.61 4.13 0.26 -1.70 2.01 -1.26 -5.03 115.64 112.45 1upc s THR 377 Ca 0.78 -0.27 0.07 0.00 0.31 0.00 0.00 61.69 62.57 1upc s THR 377 Cb -0.32 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.34 1upc s THR 377 CO 0.36 0.49 0.26 -0.31 -0.69 0.00 0.00 174.62 174.73 1upc s TYR 378 N 0.30 3.17 0.05 4.92 1.51 -1.26 -5.04 117.35 121.01 1upc s TYR 378 Ca -0.02 -0.11 -0.20 0.00 -1.01 0.00 0.00 57.07 55.73 1upc s TYR 378 Cb -0.14 -1.51 -0.13 0.00 -0.11 0.00 0.00 41.96 40.08 1upc s TYR 378 CO 0.02 0.44 1.38 1.05 -1.11 0.00 0.00 175.55 177.33 1upc h GLU 379 N 1.36 0.39 0.00 -0.62 9.09 -2.00 -3.41 114.58 119.39 1upc h GLU 379 Ca -0.49 -0.19 -0.01 0.00 0.05 0.00 0.00 59.36 58.73 1upc h GLU 379 Cb 1.24 -0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.34 1upc h GLU 379 CO 0.60 0.73 -0.38 0.38 0.05 0.00 0.00 179.01 180.39 1upc h ASP 380 N 0.05 0.00 -0.57 3.06 2.03 -1.98 -3.50 116.42 115.51 1upc h ASP 380 Ca 0.03 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 1upc h ASP 380 Cb 0.64 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 1upc h ASP 380 CO 0.03 0.70 0.00 0.61 -1.03 0.00 0.00 179.24 179.56 1upc n GLY 381 N 1.66 3.63 3.83 7.15 0.00 -1.26 -4.80 105.19 115.40 1upc n GLY 381 Ca -0.06 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.16 2.40 0.04 1.61 -1.94 -0.86 -4.20 119.30 116.19 1upc s MET 382 Ca 0.00 0.58 -0.03 0.00 -1.71 0.00 0.00 55.69 54.53 1upc s MET 382 Cb 0.00 -1.96 -0.04 0.00 2.01 0.00 0.00 34.83 34.84 1upc s MET 382 CO 0.00 -1.39 0.25 1.03 -0.01 0.00 0.00 175.02 174.90 1upc s ARG 383 N -5.23 3.51 0.39 2.03 1.81 -1.26 -2.77 118.95 117.43 1upc s ARG 383 Ca 0.60 -0.26 0.07 0.00 -1.72 0.00 0.00 55.73 54.42 1upc s ARG 383 Cb -0.13 -3.03 0.82 0.00 -0.45 0.00 0.00 34.95 32.15 1upc s ARG 383 CO 0.53 0.61 2.03 0.28 -0.68 0.00 0.00 175.30 178.07 1upc h VAL 384 N 2.51 1.08 0.00 3.52 2.07 -1.97 -0.16 116.25 123.30 1upc h VAL 384 Ca -0.47 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 1upc h VAL 384 Cb 1.18 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1upc h VAL 384 CO 0.71 0.11 -0.13 1.12 0.02 0.00 0.00 177.57 179.41 1upc h HIS 385 N 0.63 0.00 -0.13 1.57 2.07 -1.95 -0.74 115.15 116.60 1upc h HIS 385 Ca 0.20 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.53 1upc h HIS 385 Cb 0.04 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.03 1upc h HIS 385 CO -0.00 0.13 -0.72 1.96 -3.07 0.00 0.00 177.93 176.23 1upc h GLN 386 N 0.00 0.60 -0.28 5.12 4.20 -1.29 -2.69 115.11 120.78 1upc h GLN 386 Ca -0.00 -0.47 -0.02 0.00 0.06 0.00 0.00 58.65 58.22 1upc h GLN 386 Cb 0.23 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1upc h GLN 386 CO 0.02 1.09 0.09 0.28 -0.67 0.00 0.00 178.83 179.64 1upc h VAL 387 N 0.42 1.20 -0.41 -0.54 2.07 -1.11 -1.99 116.25 115.90 1upc h VAL 387 Ca -0.03 -0.63 -0.12 0.00 0.82 0.00 0.00 66.70 66.74 1upc h VAL 387 Cb 1.31 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 1upc h VAL 387 CO 0.14 0.21 -0.24 0.40 0.02 0.00 0.00 177.57 178.10 1upc h ILE 388 N 0.29 1.27 -0.59 4.57 2.04 -1.21 -0.79 117.51 123.08 1upc h ILE 388 Ca 0.09 -1.37 -0.03 0.00 1.00 0.00 0.00 64.86 64.55 1upc h ILE 388 Cb 0.23 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1upc h ILE 388 CO -0.00 0.46 0.27 -0.78 0.00 0.00 0.00 178.15 178.09 1upc h ASP 389 N 0.72 0.79 -0.61 1.72 3.58 -1.39 0.23 116.42 121.47 1upc h ASP 389 Ca 0.09 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 1upc h ASP 389 Cb 0.77 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.59 1upc h ASP 389 CO 0.06 0.72 0.35 0.28 -2.88 0.00 0.00 179.24 177.78 1upc h SER 390 N 0.82 0.74 -0.95 2.28 0.02 -1.21 -2.04 113.55 113.20 1upc h SER 390 Ca 0.20 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1upc h SER 390 Cb 0.15 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.46 1upc h SER 390 CO -0.02 0.60 0.63 0.24 -1.14 0.00 0.00 176.83 177.13 1upc h MET 391 N 0.82 1.26 -0.47 3.45 2.86 -0.46 -2.72 114.93 119.67 1upc h MET 391 Ca 0.22 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1upc h MET 391 Cb 0.01 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.36 1upc h MET 391 CO -0.04 0.84 0.23 -0.91 1.06 0.00 0.00 176.91 178.08 1upc h ASN 392 N 1.29 0.62 -0.47 1.22 2.35 -0.25 -1.88 115.58 118.47 1upc h ASN 392 Ca 0.35 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1upc h ASN 392 Cb -0.14 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.05 1upc h ASN 392 CO -0.07 0.58 0.29 0.74 -1.65 0.00 0.00 177.43 177.32 1upc h THR 393 N 0.62 1.13 0.03 2.81 2.02 -1.09 -1.23 112.91 117.20 1upc h THR 393 Ca 0.16 -0.28 -0.22 0.00 0.77 0.00 0.00 66.41 66.84 1upc h THR 393 Cb 0.12 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1upc h THR 393 CO -0.02 0.13 -0.99 0.58 0.37 0.00 0.00 175.52 175.60 1upc h VAL 394 N 0.62 1.54 -0.37 3.16 2.07 -1.46 -2.44 116.25 119.37 1upc h VAL 394 Ca 0.17 -2.87 0.00 0.00 0.82 0.00 0.00 66.70 64.82 1upc h VAL 394 Cb -0.03 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 1upc h VAL 394 CO -0.03 0.83 0.24 -0.03 0.02 0.00 0.00 177.57 178.60 1upc h MET 395 N 0.08 0.49 -0.57 1.57 -1.53 -1.12 0.12 114.93 113.97 1upc h MET 395 Ca -0.06 -0.03 -0.07 0.00 -3.44 0.00 0.00 59.70 56.10 1upc h MET 395 Cb 1.66 -0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 32.58 1upc h MET 395 CO 0.15 0.33 0.08 1.49 0.14 0.00 0.00 176.91 179.11 1upc h GLU 396 N 0.50 0.93 -0.15 0.39 4.81 -1.17 -0.35 114.58 119.54 1upc h GLU 396 Ca 0.14 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1upc h GLU 396 Cb -0.05 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1upc h GLU 396 CO -0.03 0.87 0.06 0.93 -0.73 0.00 0.00 179.01 180.11 1upc h GLU 397 N 0.88 0.22 -0.04 1.92 5.08 -1.32 -3.34 114.58 117.97 1upc h GLU 397 Ca 0.18 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.33 1upc h GLU 397 Cb 0.40 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1upc h GLU 397 CO 0.01 0.29 -0.73 0.00 -1.00 0.00 0.00 179.01 177.58 1upc h ALA 398 N 0.91 0.68 -2.68 3.43 0.00 -0.29 -3.46 119.26 117.85 1upc h ALA 398 Ca 0.05 -0.62 -0.66 0.00 0.00 0.00 0.00 54.91 53.68 1upc h ALA 398 Cb 0.16 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1upc h ALA 398 CO -0.00 0.81 -0.45 0.00 0.00 0.00 0.00 179.25 179.60 1upc s ALA 399 N -3.52 3.87 0.83 0.00 0.00 -0.18 -4.85 121.76 117.92 1upc s ALA 399 Ca -0.04 -0.62 -0.14 0.00 0.00 0.00 0.00 51.96 51.16 1upc s ALA 399 Cb 0.11 -2.00 0.03 0.00 0.00 0.00 0.00 23.12 21.26 1upc s ALA 399 CO 0.82 0.63 0.69 0.39 0.00 0.00 0.00 175.76 178.29 1upc n GLU 400 N 1.72 0.03 -1.97 0.00 -0.58 -1.26 -4.86 120.64 113.73 1upc n GLU 400 Ca -0.17 0.07 -0.40 0.00 -0.42 0.00 0.00 57.16 56.23 1upc n GLU 400 Cb 0.54 -2.03 -0.01 0.00 -0.57 0.00 0.00 31.44 29.38 1upc n GLU 400 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 1upc s PRO 401 N -3.50 4.08 -0.09 3.49 0.02 -1.26 -2.15 135.00 135.59 1upc s PRO 401 Ca 0.65 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.99 1upc s PRO 401 Cb -0.28 -2.89 0.00 0.00 0.02 0.00 0.00 34.50 31.35 1upc s PRO 401 CO 0.59 -0.46 0.00 0.41 -0.33 0.00 0.00 177.00 177.21 1upc n GLY 402 N 0.64 0.39 3.54 0.52 0.00 -1.26 -5.02 105.19 104.00 1upc n GLY 402 Ca 0.02 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 1upc n GLY 402 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upc s GLU 403 N -0.93 1.89 0.00 1.61 2.02 -0.91 -4.43 118.70 117.95 1upc s GLU 403 Ca 0.00 -2.13 0.00 0.00 0.02 0.00 0.00 54.97 52.86 1upc s GLU 403 Cb 0.00 -0.88 0.00 0.00 0.10 0.00 0.00 34.13 33.35 1upc s GLU 403 CO 0.00 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 175.34 1upc n GLY 404 N -0.90 0.93 2.98 -1.39 0.00 -1.26 -4.76 105.19 100.78 1upc n GLY 404 Ca -0.07 -1.57 -0.24 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.01 0.97 -0.15 2.61 2.01 -0.61 -4.64 115.64 113.82 1upc s THR 405 Ca 0.00 -0.37 -0.05 0.00 0.31 0.00 0.00 61.69 61.58 1upc s THR 405 Cb 0.00 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1upc s THR 405 CO 0.00 0.32 0.03 -0.63 -0.69 0.00 0.00 174.62 173.65 1upc s ILE 406 N 0.82 4.53 -0.01 1.82 1.01 -0.35 -1.17 121.20 127.85 1upc s ILE 406 Ca -0.12 -0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.47 1upc s ILE 406 Cb -0.15 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 1upc s ILE 406 CO 0.02 0.51 -0.24 -0.69 0.00 0.00 0.00 174.94 174.54 1upc s VAL 407 N -0.03 2.26 -0.07 2.92 1.01 -0.20 -0.50 120.40 125.79 1upc s VAL 407 Ca 0.05 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 60.96 1upc s VAL 407 Cb -0.12 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1upc s VAL 407 CO 0.01 0.54 -0.14 -0.55 0.00 0.00 0.00 175.10 174.97 1upc s SER 408 N -0.75 1.96 0.45 3.32 0.15 0.21 -0.88 113.70 118.15 1upc s SER 408 Ca 0.11 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1upc s SER 408 Cb -0.10 -0.89 0.00 0.00 -1.71 0.00 0.00 66.02 63.32 1upc s SER 408 CO -0.00 0.05 0.00 -0.67 1.20 0.00 0.00 173.24 173.82 1upc n ASP 409 N 3.74 -0.41 -4.49 5.45 -0.08 -0.79 -4.42 116.55 115.55 1upc n ASP 409 Ca -0.22 -0.24 -0.31 0.00 -1.51 0.00 0.00 54.79 52.50 1upc n ASP 409 Cb 0.52 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.86 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 -0.45 3.04 -5.00 5.18 -1.09 -1.26 -4.64 121.20 116.98 1upc s ILE 410 Ca 0.00 -1.04 0.00 0.00 -2.23 0.00 0.00 60.65 57.38 1upc s ILE 410 Cb 0.00 -2.28 0.00 0.00 -1.58 0.00 0.00 42.46 38.60 1upc s ILE 410 CO 0.00 0.37 0.00 0.61 -1.23 0.00 0.00 174.94 174.69 1upc n GLY 411 N 1.61 -1.19 0.33 6.18 0.00 -1.26 -4.65 105.19 106.20 1upc n GLY 411 Ca -0.16 -1.56 -0.05 0.00 0.00 0.00 0.00 46.02 44.25 1upc n GLY 411 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1upc h PHE 412 N 0.00 1.11 -0.30 1.61 3.57 -1.93 -2.07 116.94 118.93 1upc h PHE 412 Ca 0.00 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.56 1upc h PHE 412 Cb 0.00 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.37 1upc h PHE 412 CO 0.00 0.78 0.24 0.27 -2.23 0.00 0.00 178.31 177.36 1upc h PHE 413 N 1.12 0.00 -0.90 0.41 -0.00 -1.97 -2.67 116.94 112.93 1upc h PHE 413 Ca 0.28 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 58.24 1upc h PHE 413 Cb 0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 35.94 1upc h PHE 413 CO 0.00 0.00 0.50 -0.09 -0.00 0.00 0.00 178.31 178.73 1upc h ARG 414 N 0.00 1.25 0.00 6.09 1.12 -1.63 -1.53 114.38 119.68 1upc h ARG 414 Ca 0.14 -0.14 -0.03 0.00 -1.11 0.00 0.00 59.98 58.84 1upc h ARG 414 Cb 0.61 -0.25 -0.00 0.00 -0.01 0.00 0.00 29.97 30.32 1upc h ARG 414 CO -0.00 0.91 -0.14 0.45 -3.11 0.00 0.00 179.97 178.08 1upc h HIS 415 N 1.26 0.00 -0.41 2.20 3.86 -1.58 -0.35 115.15 120.13 1upc h HIS 415 Ca 0.32 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.44 1upc h HIS 415 Cb 0.01 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 1upc h HIS 415 CO 0.01 0.14 -0.09 1.88 0.86 0.00 0.00 177.93 180.72 1upc h TYR 416 N 0.00 0.88 -0.89 2.45 -1.99 -1.37 -2.77 116.97 113.28 1upc h TYR 416 Ca -0.00 -0.19 0.11 0.00 2.00 0.00 0.00 58.73 60.65 1upc h TYR 416 Cb 0.38 -0.22 -0.07 0.00 2.00 0.00 0.00 36.73 38.82 1upc h TYR 416 CO 0.00 0.91 0.57 0.78 -0.00 0.00 0.00 178.16 180.42 1upc h GLY 417 N 0.60 1.27 0.96 3.88 0.00 -0.42 0.85 103.07 110.22 1upc h GLY 417 Ca 0.10 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 1upc h GLY 417 CO 0.04 0.17 0.13 -2.08 0.00 0.00 0.00 176.54 174.80 1upc h VAL 418 N 0.83 1.23 0.19 4.60 2.07 -0.99 -1.67 116.25 122.51 1upc h VAL 418 Ca 0.42 -0.78 -0.30 0.00 0.82 0.00 0.00 66.70 66.86 1upc h VAL 418 Cb 0.49 0.85 0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1upc h VAL 418 CO -0.19 0.28 -1.36 -0.07 0.02 0.00 0.00 177.57 176.26 1upc h LEU 419 N 0.62 0.62 0.00 2.57 3.38 -1.25 -3.42 115.31 117.83 1upc h LEU 419 Ca 0.15 -0.66 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 1upc h LEU 419 Cb 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1upc h LEU 419 CO -0.00 1.52 -1.54 0.49 0.09 0.00 0.00 178.44 179.00 1upc n PHE 420 N -3.61 0.00 -2.59 1.13 3.72 0.27 -4.94 117.46 111.44 1upc n PHE 420 Ca -0.12 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.89 1upc n PHE 420 Cb 1.06 -0.29 -0.05 0.00 -0.94 0.00 0.00 39.48 39.26 1upc n PHE 420 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1upc s ALA 421 N -2.69 3.26 0.11 4.37 0.00 -0.63 -4.84 121.76 121.34 1upc s ALA 421 Ca -0.04 0.73 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 1upc s ALA 421 Cb 0.07 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.85 1upc s ALA 421 CO 0.46 -0.07 1.10 0.50 0.00 0.00 0.00 175.76 177.75 1upc s ARG 422 N -1.85 4.55 -0.18 0.00 3.52 -1.26 -4.97 118.95 118.76 1upc s ARG 422 Ca 0.49 1.67 -0.04 0.00 -0.13 0.00 0.00 55.73 57.72 1upc s ARG 422 Cb -0.26 -3.33 0.06 0.00 -1.56 0.00 0.00 34.95 29.86 1upc s ARG 422 CO 0.33 -0.02 0.07 0.00 -0.81 0.00 0.00 175.30 174.87 1upc s ALA 423 N 0.32 0.63 -1.29 6.12 0.00 -1.26 -4.59 121.76 121.69 1upc s ALA 423 Ca 0.52 -0.47 0.15 0.00 0.00 0.00 0.00 51.96 52.16 1upc s ALA 423 Cb -0.28 -1.10 0.41 0.00 0.00 0.00 0.00 23.12 22.16 1upc s ALA 423 CO 0.32 -1.19 1.34 -3.47 0.00 0.00 0.00 175.76 172.76 1upc n ASP 424 N 5.20 3.25 -3.69 0.00 2.03 -1.26 -4.05 116.55 118.03 1upc n ASP 424 Ca -0.08 -1.99 -0.10 0.00 0.52 0.00 0.00 54.79 53.14 1upc n ASP 424 Cb 0.48 -0.31 -0.05 0.00 -0.72 0.00 0.00 41.12 40.52 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 -1.01 1.16 0.24 -0.67 -2.07 -1.26 -4.25 119.66 111.80 1upc s GLN 425 Ca 0.32 -0.80 -0.31 0.00 -1.82 0.00 0.00 55.36 52.75 1upc s GLN 425 Cb 0.17 0.47 -0.14 0.00 -1.09 0.00 0.00 33.01 32.42 1upc s GLN 425 CO 0.22 -0.46 1.29 -2.30 -1.32 0.00 0.00 175.29 172.71 1upc n PRO 426 N -0.25 1.74 -1.93 9.60 -0.02 -1.09 -1.01 135.00 142.03 1upc n PRO 426 Ca -0.14 0.62 -0.20 0.00 -2.02 0.00 0.00 63.50 61.76 1upc n PRO 426 Cb 0.63 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.87 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 1.47 -0.42 0.25 6.00 3.72 -1.24 -4.86 117.46 122.39 1upc n PHE 427 Ca 0.12 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.65 1upc n PHE 427 Cb 0.30 -3.54 0.32 0.00 -0.94 0.00 0.00 39.48 35.63 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 -1.24 -3.40 103.07 93.57 1upc h GLY 428 Ca -0.43 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.26 1upc h GLY 428 CO 0.58 0.00 -0.85 -0.12 0.00 0.00 0.00 176.54 176.15 1upc s PHE 429 N -3.33 2.52 -0.14 5.60 5.36 -1.26 -1.21 117.98 125.52 1upc s PHE 429 Ca 0.05 -1.47 0.01 0.00 -0.96 0.00 0.00 56.93 54.56 1upc s PHE 429 Cb 0.06 -1.77 0.00 0.00 -0.34 0.00 0.00 43.02 40.97 1upc s PHE 429 CO 0.63 -0.75 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.95 1upc s LEU 430 N 1.37 2.35 0.33 6.12 1.02 0.35 -4.57 118.68 125.64 1upc s LEU 430 Ca 0.05 -0.50 -0.08 0.00 0.02 0.00 0.00 54.13 53.62 1upc s LEU 430 Cb -0.13 -1.51 0.01 0.00 0.02 0.00 0.00 46.19 44.58 1upc s LEU 430 CO -0.12 0.10 0.53 0.28 0.02 0.00 0.00 176.35 177.17 1upc s THR 431 N 0.70 0.00 -0.50 5.49 -1.32 -1.26 -0.62 115.64 118.13 1upc s THR 431 Ca -0.08 -1.44 -0.17 0.00 -1.21 0.00 0.00 61.69 58.79 1upc s THR 431 Cb -0.16 -2.58 0.08 0.00 -1.51 0.00 0.00 72.50 68.34 1upc s THR 431 CO 0.01 0.00 0.49 -0.55 -2.21 0.00 0.00 174.62 172.37 1upc s SER 432 N -3.15 6.18 0.09 8.08 0.15 -1.26 -4.92 113.70 118.86 1upc s SER 432 Ca 0.26 -1.33 0.05 0.00 0.70 0.00 0.00 55.95 55.62 1upc s SER 432 Cb -0.01 -2.22 -0.23 0.00 -1.71 0.00 0.00 66.02 61.84 1upc s SER 432 CO 0.16 -0.78 1.16 0.00 1.20 0.00 0.00 173.24 174.97 1upc h ALA 433 N 8.87 0.34 0.00 5.45 0.00 -1.91 -3.21 119.26 128.80 1upc h ALA 433 Ca -0.29 -0.98 -0.31 0.00 0.00 0.00 0.00 54.91 53.34 1upc h ALA 433 Cb 1.10 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1upc h ALA 433 CO 0.95 1.22 -1.68 0.41 0.00 0.00 0.00 179.25 180.15 1upc n GLY 434 N 1.43 -0.72 0.13 0.00 0.00 -1.20 -4.54 105.19 100.29 1upc n GLY 434 Ca -0.05 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 1upc n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upc n SER 436 N -3.84 -2.68 -4.71 0.00 7.64 -1.21 -4.95 113.62 103.87 1upc n SER 436 Ca -0.36 -0.80 -0.42 0.00 1.01 0.00 0.00 58.87 58.30 1upc n SER 436 Cb 0.91 -4.00 -0.03 0.00 -1.01 0.00 0.00 64.21 60.08 1upc n SER 436 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1upc s SER 437 N -3.93 7.03 0.73 6.43 0.15 -1.26 -4.96 113.70 117.89 1upc s SER 437 Ca 0.27 2.08 -0.15 0.00 0.70 0.00 0.00 55.95 58.86 1upc s SER 437 Cb -0.14 -2.58 0.04 0.00 -1.71 0.00 0.00 66.02 61.63 1upc s SER 437 CO 0.82 -0.50 1.19 0.72 1.20 0.00 0.00 173.24 176.66 1upc s PHE 438 N 1.03 2.13 0.00 3.44 -0.71 -1.26 -2.84 117.98 119.76 1upc s PHE 438 Ca 0.60 1.60 0.00 0.00 -1.04 0.00 0.00 56.93 58.09 1upc s PHE 438 Cb -0.31 -3.41 0.00 0.00 -1.21 0.00 0.00 43.02 38.09 1upc s PHE 438 CO 0.30 -2.46 0.00 0.41 -1.34 0.00 0.00 175.22 172.13 1upc n GLY 439 N 0.21 0.87 0.30 1.99 0.00 -0.98 -4.89 105.19 102.69 1upc n GLY 439 Ca 0.13 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.00 1.61 3.20 -1.83 -3.34 116.97 116.61 1upc h TYR 440 Ca 0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1upc h TYR 440 Cb 0.01 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 1upc h TYR 440 CO 0.01 0.00 0.00 0.78 -1.64 0.00 0.00 178.16 177.31 1upc h GLY 441 N 0.00 0.00 0.77 1.82 0.00 -1.87 -1.87 103.07 101.92 1upc h GLY 441 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1upc h GLY 441 CO -0.00 0.00 -0.33 -2.22 0.00 0.00 0.00 176.54 173.99 1upc h ILE 442 N -0.07 0.31 -0.64 2.60 2.04 -1.92 0.66 117.51 120.48 1upc h ILE 442 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1upc h ILE 442 Cb 0.07 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 1upc h ILE 442 CO -0.00 0.00 0.34 1.55 0.00 0.00 0.00 178.15 180.04 1upc h PRO 443 N -0.78 0.89 -0.70 2.37 0.13 -1.77 0.07 132.00 132.21 1upc h PRO 443 Ca -0.05 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 64.95 1upc h PRO 443 Cb 0.66 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 31.58 1upc h PRO 443 CO 0.01 0.66 0.28 0.00 -0.23 0.00 0.00 178.00 178.72 1upc h ALA 444 N 1.48 0.91 -0.52 -0.56 0.00 -1.20 0.15 119.26 119.52 1upc h ALA 444 Ca 0.23 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1upc h ALA 444 Cb 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1upc h ALA 444 CO -0.04 0.54 -0.02 0.00 0.00 0.00 0.00 179.25 179.73 1upc h ALA 445 N 1.13 0.97 0.55 0.00 0.00 -0.10 -0.07 119.26 121.74 1upc h ALA 445 Ca 0.23 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1upc h ALA 445 Cb 0.21 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1upc h ALA 445 CO -0.02 0.62 -0.26 0.82 0.00 0.00 0.00 179.25 180.41 1upc h ILE 446 N 0.83 0.46 -0.77 0.00 2.04 -0.70 0.56 117.51 119.93 1upc h ILE 446 Ca 0.15 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 66.07 1upc h ILE 446 Cb 0.53 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 1upc h ILE 446 CO 0.03 0.00 0.46 1.23 0.00 0.00 0.00 178.15 179.87 1upc h GLY 447 N -0.74 1.16 0.85 5.37 0.00 -0.85 -1.80 103.07 107.06 1upc h GLY 447 Ca -0.08 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 46.88 1upc h GLY 447 CO 0.12 0.20 -0.03 0.00 0.00 0.00 0.00 176.54 176.84 1upc h ALA 448 N 1.39 0.35 -0.43 3.60 0.00 -0.89 -2.26 119.26 121.01 1upc h ALA 448 Ca 0.35 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1upc h ALA 448 Cb 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1upc h ALA 448 CO -0.19 0.11 0.01 0.37 0.00 0.00 0.00 179.25 179.56 1upc h GLN 449 N 0.23 0.70 0.00 0.00 5.75 -0.62 -1.44 115.11 119.72 1upc h GLN 449 Ca 0.07 -0.17 -0.07 0.00 -0.15 0.00 0.00 58.65 58.32 1upc h GLN 449 Cb 0.47 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 1upc h GLN 449 CO 0.02 0.71 -0.35 0.52 -2.65 0.00 0.00 178.83 177.07 1upc h MET 450 N 0.66 0.00 0.10 1.69 2.86 -1.23 -2.47 114.93 116.54 1upc h MET 450 Ca 0.13 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.51 1upc h MET 450 Cb 0.40 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1upc h MET 450 CO 0.01 0.35 -1.21 0.00 1.06 0.00 0.00 176.91 177.13 1upc h ALA 451 N 1.65 0.15 -2.18 6.32 0.00 -0.96 -3.37 119.26 120.87 1upc h ALA 451 Ca -0.00 -0.90 -0.59 0.00 0.00 0.00 0.00 54.91 53.41 1upc h ALA 451 Cb 0.74 -0.01 -0.42 0.00 0.00 0.00 0.00 17.79 18.11 1upc h ALA 451 CO 0.05 1.04 -0.68 0.54 0.00 0.00 0.00 179.25 180.19 1upc n ARG 452 N -3.49 2.40 -0.10 0.00 1.74 -0.58 -4.98 116.66 111.64 1upc n ARG 452 Ca -0.07 -4.50 0.12 0.00 -0.77 0.00 0.00 57.85 52.63 1upc n ARG 452 Cb 1.01 -2.12 0.49 0.00 -1.02 0.00 0.00 32.46 30.82 1upc n ARG 452 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1upc h PRO 453 N 3.90 0.43 -0.72 5.56 0.13 -1.62 -1.97 132.00 137.71 1upc h PRO 453 Ca 0.17 -0.03 -0.31 0.00 -0.87 0.00 0.00 66.00 64.96 1upc h PRO 453 Cb 0.67 -0.10 -0.18 0.00 0.13 0.00 0.00 31.00 31.52 1upc h PRO 453 CO 0.78 0.28 0.32 -0.25 -0.23 0.00 0.00 178.00 178.91 1upc n ASP 454 N -4.47 3.83 -4.26 1.44 8.00 -1.26 -4.94 116.55 114.88 1upc n ASP 454 Ca 0.11 -3.48 -0.26 0.00 0.71 0.00 0.00 54.79 51.86 1upc n ASP 454 Cb 0.38 -0.74 -0.14 0.00 -0.02 0.00 0.00 41.12 40.59 1upc n ASP 454 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1upc s GLN 455 N -3.16 1.49 0.37 -1.24 -0.21 -0.74 -4.98 119.66 111.19 1upc s GLN 455 Ca 0.53 -0.94 -0.28 0.00 0.02 0.00 0.00 55.36 54.68 1upc s GLN 455 Cb 0.44 -1.59 -0.11 0.00 1.00 0.00 0.00 33.01 32.75 1upc s GLN 455 CO 0.09 0.41 1.51 -2.30 -2.12 0.00 0.00 175.29 172.88 1upc n PRO 456 N 1.93 2.70 -3.84 2.91 -0.02 -1.26 -4.90 135.00 132.52 1upc n PRO 456 Ca -0.17 0.95 -0.27 0.00 -2.02 0.00 0.00 63.50 61.98 1upc n PRO 456 Cb 0.53 -2.69 -0.17 0.00 -0.02 0.00 0.00 33.50 31.16 1upc n PRO 456 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1upc s THR 457 N -0.99 0.89 0.10 3.45 2.01 -1.26 -1.58 115.64 118.26 1upc s THR 457 Ca 0.54 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 62.06 1upc s THR 457 Cb -0.47 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 1upc s THR 457 CO 0.62 0.06 0.05 -0.36 -0.69 0.00 0.00 174.62 174.31 1upc s PHE 458 N 1.72 3.08 -0.05 4.92 0.08 -0.32 -1.68 117.98 125.74 1upc s PHE 458 Ca 0.01 0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.09 1upc s PHE 458 Cb -0.15 -1.56 0.01 0.00 -0.57 0.00 0.00 43.02 40.75 1upc s PHE 458 CO -0.07 0.50 -0.12 -1.17 -0.10 0.00 0.00 175.22 174.26 1upc s LEU 459 N -2.49 1.72 -0.11 -0.37 2.96 0.48 -1.03 118.68 119.84 1upc s LEU 459 Ca 0.28 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 1upc s LEU 459 Cb -0.12 -0.77 -0.02 0.00 0.50 0.00 0.00 46.19 45.78 1upc s LEU 459 CO 0.21 0.06 -0.11 -0.51 -1.32 0.00 0.00 176.35 174.68 1upc s ILE 460 N 0.44 3.27 0.05 6.68 2.07 -0.06 -0.56 121.20 133.09 1upc s ILE 460 Ca -0.10 -0.61 -0.04 0.00 -1.41 0.00 0.00 60.65 58.49 1upc s ILE 460 Cb -0.13 -2.36 -0.02 0.00 0.13 0.00 0.00 42.46 40.08 1upc s ILE 460 CO 0.02 0.55 0.07 0.00 -1.91 0.00 0.00 174.94 173.67 1upc s ALA 461 N -0.06 0.08 0.49 1.50 0.00 -0.23 -1.88 121.76 121.66 1upc s ALA 461 Ca -0.02 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.22 1upc s ALA 461 Cb -0.14 0.29 0.02 0.00 0.00 0.00 0.00 23.12 23.29 1upc s ALA 461 CO 0.03 -0.36 0.70 0.20 0.00 0.00 0.00 175.76 176.33 1upc s GLY 462 N -2.44 1.80 0.30 0.00 0.00 -1.26 -0.12 107.32 105.60 1upc s GLY 462 Ca -0.01 -1.37 0.02 0.00 0.00 0.00 0.00 44.72 43.37 1upc s GLY 462 CO -0.07 -1.14 1.79 1.29 0.00 0.00 0.00 173.10 174.97 1upc h ASP 463 N 0.29 0.55 0.27 1.64 2.03 -1.80 -0.97 116.42 118.44 1upc h ASP 463 Ca -0.42 -0.14 -0.01 0.00 -0.73 0.00 0.00 57.03 55.72 1upc h ASP 463 Cb 1.28 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 1upc h ASP 463 CO 0.51 0.69 -0.13 1.23 -1.03 0.00 0.00 179.24 180.51 1upc h GLY 464 N 0.93 -0.38 1.05 7.15 0.00 -1.90 -2.55 103.07 107.38 1upc h GLY 464 Ca 0.10 0.14 -0.24 0.00 0.00 0.00 0.00 47.33 47.33 1upc h GLY 464 CO 0.03 -0.14 -0.98 -1.33 0.00 0.00 0.00 176.54 174.12 1upc h GLY 465 N -0.63 0.63 0.55 4.60 0.00 -1.82 -2.80 103.07 103.61 1upc h GLY 465 Ca -0.04 -1.22 0.03 0.00 0.00 0.00 0.00 47.33 46.11 1upc h GLY 465 CO 0.06 1.07 -0.14 -2.75 0.00 0.00 0.00 176.54 174.79 1upc h PHE 466 N 0.15 -0.34 0.00 5.60 3.57 -1.28 -1.80 116.94 122.83 1upc h PHE 466 Ca -0.14 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 1upc h PHE 466 Cb 1.67 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 40.57 1upc h PHE 466 CO 0.13 -0.20 -0.08 1.25 -2.23 0.00 0.00 178.31 177.18 1upc h HIS 467 N -0.18 0.00 -0.14 0.41 2.76 -1.52 0.57 115.15 117.04 1upc h HIS 467 Ca 0.08 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.29 1upc h HIS 467 Cb 0.29 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 1upc h HIS 467 CO -0.23 0.08 0.12 0.66 -1.30 0.00 0.00 177.93 177.25 1upc h SER 468 N 0.00 0.00 0.00 3.26 4.64 -1.05 -3.26 113.55 117.14 1upc h SER 468 Ca -0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1upc h SER 468 Cb 0.39 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.22 1upc h SER 468 CO 0.01 0.00 -0.85 -3.20 -0.87 0.00 0.00 176.83 171.92 1upc n ASN 469 N -4.24 0.79 0.24 4.97 5.15 -0.70 -4.92 115.26 116.55 1upc n ASN 469 Ca 0.00 -2.11 0.16 0.00 -0.60 0.00 0.00 54.58 52.03 1upc n ASN 469 Cb 0.24 -0.29 0.65 0.00 -0.53 0.00 0.00 39.78 39.85 1upc n ASN 469 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1upc h SER 470 N 0.71 0.00 0.04 1.20 4.64 -0.96 -3.20 113.55 115.98 1upc h SER 470 Ca -0.15 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 1upc h SER 470 Cb 1.70 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.79 1upc h SER 470 CO 0.07 0.00 -0.03 0.28 -0.87 0.00 0.00 176.83 176.28 1upc h SER 471 N 0.00 0.00 0.00 4.97 0.02 -1.87 -1.09 113.55 115.58 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 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1upc h SER 471 CO 0.00 0.03 0.00 0.47 -1.14 0.00 0.00 176.83 176.19 1upc n ASP 472 N -4.18 0.00 -0.28 3.07 8.00 -1.21 -2.39 116.55 119.55 1upc n ASP 472 Ca -0.03 -1.75 0.15 0.00 0.71 0.00 0.00 54.79 53.86 1upc n ASP 472 Cb 0.11 0.00 0.41 0.00 -0.02 0.00 0.00 41.12 41.62 1upc n ASP 472 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1upc h LEU 473 N 0.00 0.61 -0.91 0.64 3.38 -1.45 -2.38 115.31 115.20 1upc h LEU 473 Ca 0.00 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1upc h LEU 473 Cb 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1upc h LEU 473 CO 0.00 0.26 0.01 -0.08 0.09 0.00 0.00 178.44 178.72 1upc h GLU 474 N 0.62 0.81 -0.74 1.13 4.22 -1.68 -1.95 114.58 117.00 1upc h GLU 474 Ca 0.49 -0.22 -0.02 0.00 0.08 0.00 0.00 59.36 59.70 1upc h GLU 474 Cb 0.92 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 1upc h GLU 474 CO -0.24 0.81 0.40 1.15 -2.18 0.00 0.00 179.01 178.95 1upc h THR 475 N 0.76 1.22 -0.53 0.32 2.02 -1.67 0.42 112.91 115.46 1upc h THR 475 Ca 0.15 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 1upc h THR 475 Cb 0.45 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1upc h THR 475 CO 0.02 0.25 0.18 0.40 0.37 0.00 0.00 175.52 176.73 1upc h ILE 476 N 1.03 1.23 -0.29 3.11 2.04 -0.89 -1.24 117.51 122.50 1upc h ILE 476 Ca 0.26 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 1upc h ILE 476 Cb 0.03 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1upc h ILE 476 CO -0.04 0.28 0.06 0.00 0.00 0.00 0.00 178.15 178.45 1upc h ALA 477 N 1.03 0.38 -0.66 1.87 0.00 -1.21 -1.82 119.26 118.86 1upc h ALA 477 Ca 0.17 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1upc h ALA 477 Cb 0.26 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1upc h ALA 477 CO -0.01 0.05 0.41 -0.09 0.00 0.00 0.00 179.25 179.62 1upc h ARG 478 N 0.30 0.88 -0.00 0.00 2.43 -0.78 -2.08 114.38 115.14 1upc h ARG 478 Ca 0.09 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1upc h ARG 478 Cb 0.31 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1upc h ARG 478 CO 0.00 0.62 -0.14 1.28 -1.51 0.00 0.00 179.97 180.22 1upc n LEU 479 N -4.59 0.21 -3.82 3.80 4.77 -0.48 -4.95 117.00 111.94 1upc n LEU 479 Ca 0.05 0.26 -0.24 0.00 -0.03 0.00 0.00 56.01 56.05 1upc n LEU 479 Cb 0.04 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 40.79 1upc n LEU 479 CO 0.36 0.05 -0.09 -3.20 -1.33 0.00 0.00 177.39 173.18 1upc n ASN 480 N -1.38 -1.52 -4.60 -1.43 5.15 -0.72 -4.97 115.26 105.79 1upc n ASN 480 Ca 0.09 -0.87 -0.42 0.00 -0.60 0.00 0.00 54.58 52.78 1upc n ASN 480 Cb 0.32 -3.72 -0.05 0.00 -0.53 0.00 0.00 39.78 35.80 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 -6.86 4.11 -0.19 1.20 1.43 -0.99 -4.86 118.68 112.52 1upc s LEU 481 Ca 0.12 0.55 -0.05 0.00 -1.03 0.00 0.00 54.13 53.73 1upc s LEU 481 Cb -0.06 -3.00 -0.17 0.00 0.03 0.00 0.00 46.19 42.98 1upc s LEU 481 CO 0.84 -0.60 2.70 -0.81 0.23 0.00 0.00 176.35 178.71 1upc n PRO 482 N 6.16 1.64 -2.58 1.29 -0.04 -1.26 -3.68 135.00 136.53 1upc n PRO 482 Ca 0.02 -0.88 -0.42 0.00 -0.04 0.00 0.00 63.50 62.19 1upc n PRO 482 Cb 0.48 -1.98 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1upc n PRO 482 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1upc s ILE 483 N 1.79 4.32 -0.31 0.52 1.01 -1.26 -4.62 121.20 122.65 1upc s ILE 483 Ca 0.49 1.78 -0.13 0.00 0.00 0.00 0.00 60.65 62.79 1upc s ILE 483 Cb 0.21 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 1upc s ILE 483 CO -0.01 0.20 0.25 -0.69 0.00 0.00 0.00 174.94 174.69 1upc s VAL 484 N 0.57 5.27 -0.06 2.92 1.01 -0.67 -2.13 120.40 127.31 1upc s VAL 484 Ca 0.53 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.59 1upc s VAL 484 Cb -0.26 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1upc s VAL 484 CO 0.30 0.11 0.00 -0.89 0.00 0.00 0.00 175.10 174.63 1upc s THR 485 N 1.82 4.27 -0.23 3.92 2.01 -0.56 -0.39 115.64 126.48 1upc s THR 485 Ca 0.08 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.72 1upc s THR 485 Cb -0.16 -2.83 0.06 0.00 0.01 0.00 0.00 72.50 69.57 1upc s THR 485 CO 0.11 0.52 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.81 1upc s VAL 486 N -0.96 1.57 -0.41 3.82 1.01 0.27 -0.54 120.40 125.16 1upc s VAL 486 Ca 0.16 -1.22 -0.20 0.00 0.00 0.00 0.00 61.98 60.72 1upc s VAL 486 Cb -0.11 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.48 1upc s VAL 486 CO 0.05 -0.07 0.58 -0.69 0.00 0.00 0.00 175.10 174.97 1upc s VAL 487 N 1.38 4.91 -0.45 2.92 1.01 -0.49 -1.06 120.40 128.62 1upc s VAL 487 Ca -0.06 0.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.75 1upc s VAL 487 Cb -0.19 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.10 1upc s VAL 487 CO -0.06 -0.48 1.01 0.68 0.00 0.00 0.00 175.10 176.25 1upc s VAL 488 N 2.60 4.38 -0.22 2.92 -7.23 0.82 -1.65 120.40 122.03 1upc s VAL 488 Ca 0.20 1.01 -0.07 0.00 -1.81 0.00 0.00 61.98 61.31 1upc s VAL 488 Cb -0.15 -4.49 -0.03 0.00 0.56 0.00 0.00 36.38 32.27 1upc s VAL 488 CO 0.17 -0.86 0.06 0.21 -0.31 0.00 0.00 175.10 174.36 1upc s ASN 489 N 2.28 5.28 -0.05 4.85 3.84 0.12 -2.62 114.94 128.64 1upc s ASN 489 Ca 0.42 -0.10 0.08 0.00 0.21 0.00 0.00 52.86 53.47 1upc s ASN 489 Cb -0.09 -1.93 0.12 0.00 -0.55 0.00 0.00 41.25 38.80 1upc s ASN 489 CO 0.27 0.06 1.05 -0.46 -2.79 0.00 0.00 177.10 175.23 1upc n ASN 490 N 4.31 1.05 -3.13 -4.21 6.94 -1.26 -0.72 115.26 118.23 1upc n ASN 490 Ca -0.16 -2.42 -0.21 0.00 -0.02 0.00 0.00 54.58 51.76 1upc n ASN 490 Cb 0.52 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 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 -0.62 -4.31 -3.74 0.53 8.00 -1.26 -4.93 116.55 110.22 1upc n ASP 491 Ca 0.07 -0.27 -0.14 0.00 0.71 0.00 0.00 54.79 55.16 1upc n ASP 491 Cb 0.66 -3.55 -0.09 0.00 -0.02 0.00 0.00 41.12 38.12 1upc n ASP 491 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1upc s THR 492 N -2.94 0.04 -1.28 -3.53 2.01 -1.26 -1.25 115.64 107.45 1upc s THR 492 Ca 0.31 -0.37 -0.19 0.00 0.31 0.00 0.00 61.69 61.75 1upc s THR 492 Cb -0.16 -0.63 0.05 0.00 0.01 0.00 0.00 72.50 71.77 1upc s THR 492 CO 0.38 -0.20 1.76 0.20 -0.69 0.00 0.00 174.62 176.07 1upc s ASN 493 N -1.10 6.56 0.19 3.53 0.01 0.06 -4.35 114.94 119.84 1upc s ASN 493 Ca -0.11 -2.31 -0.11 0.00 -0.71 0.00 0.00 52.86 49.62 1upc s ASN 493 Cb -0.04 -2.58 0.11 0.00 0.41 0.00 0.00 41.25 39.14 1upc s ASN 493 CO 0.04 -1.47 1.80 1.23 -1.51 0.00 0.00 177.10 177.19 1upc h GLY 494 N 13.36 0.98 0.87 0.66 0.00 -1.96 -1.69 103.07 115.30 1upc h GLY 494 Ca 0.41 -0.45 0.07 0.00 0.00 0.00 0.00 47.33 47.36 1upc h GLY 494 CO 1.42 0.43 0.56 -2.00 0.00 0.00 0.00 176.54 176.96 1upc h LEU 495 N 0.89 0.83 -0.32 3.11 6.46 -1.93 -1.21 115.31 123.15 1upc h LEU 495 Ca 0.23 0.01 -0.17 0.00 -0.12 0.00 0.00 57.88 57.82 1upc h LEU 495 Cb 0.06 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.79 1upc h LEU 495 CO -0.04 0.53 -0.82 0.40 -0.62 0.00 0.00 178.44 177.89 1upc h ILE 496 N 0.94 1.57 -0.39 4.05 1.08 -1.73 -2.39 117.51 120.63 1upc h ILE 496 Ca 0.38 -2.84 -0.13 0.00 -0.39 0.00 0.00 64.86 61.87 1upc h ILE 496 Cb 0.25 2.54 -0.01 0.00 -3.07 0.00 0.00 36.82 36.53 1upc h ILE 496 CO -0.14 0.81 -0.27 -0.08 -0.69 0.00 0.00 178.15 177.78 1upc h GLU 497 N 0.00 0.82 -0.32 2.37 4.81 -0.90 -1.06 114.58 120.29 1upc h GLU 497 Ca -0.01 -0.36 0.06 0.00 -0.13 0.00 0.00 59.36 58.93 1upc h GLU 497 Cb 1.48 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.78 1upc h GLU 497 CO 0.11 0.99 -0.05 1.25 -0.73 0.00 0.00 179.01 180.58 1upc h LEU 498 N 0.70 -0.23 -1.10 1.64 6.46 -1.00 -1.53 115.31 120.25 1upc h LEU 498 Ca 0.09 0.09 -0.09 0.00 -0.12 0.00 0.00 57.88 57.84 1upc h LEU 498 Cb 0.80 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.89 1upc h LEU 498 CO 0.07 -0.08 -0.43 1.88 -0.62 0.00 0.00 178.44 179.26 1upc h TYR 499 N 0.04 0.05 -0.11 1.25 0.05 -1.18 0.19 116.97 117.25 1upc h TYR 499 Ca 0.16 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.93 1upc h TYR 499 Cb 0.23 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 1upc h TYR 499 CO -0.27 0.47 0.04 1.96 -1.05 0.00 0.00 178.16 179.30 1upc h GLN 500 N 0.03 0.09 -0.20 4.88 4.20 -0.73 -2.15 115.11 121.23 1upc h GLN 500 Ca -0.00 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1upc h GLN 500 Cb 0.78 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 1upc h GLN 500 CO 0.06 0.06 -0.17 -0.91 -0.67 0.00 0.00 178.83 177.20 1upc h ASN 501 N 0.09 0.33 -0.34 1.46 2.35 -0.58 -0.14 115.58 118.75 1upc h ASN 501 Ca 0.05 -0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 55.59 1upc h ASN 501 Cb 0.03 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1upc h ASN 501 CO -0.05 0.52 -0.25 0.40 -1.65 0.00 0.00 177.43 176.40 1upc h ILE 502 N 0.32 1.29 0.01 2.81 2.04 -0.71 -1.07 117.51 122.20 1upc h ILE 502 Ca 0.06 -1.40 -0.25 0.00 1.00 0.00 0.00 64.86 64.27 1upc h ILE 502 Cb 0.48 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 1upc h ILE 502 CO 0.03 0.46 -1.32 1.23 0.00 0.00 0.00 178.15 178.55 1upc h GLY 503 N 0.55 0.03 0.00 5.37 0.00 -1.22 -3.41 103.07 104.39 1upc h GLY 503 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1upc h GLY 503 CO 0.07 0.07 0.00 1.42 0.00 0.00 0.00 176.54 178.10 1upc n HIS 504 N -3.25 0.00 -1.49 5.60 8.25 -0.08 -5.03 115.22 119.23 1upc n HIS 504 Ca -0.08 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.21 1upc n HIS 504 Cb 0.99 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 32.03 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 -0.25 0.00 -3.98 4.41 -0.00 -0.41 -4.95 115.22 110.05 1upc n HIS 505 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 1upc n HIS 505 Cb 0.06 -3.17 -0.04 0.00 -0.00 0.00 0.00 29.99 26.84 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 -3.42 1.62 0.53 -0.41 1.70 -1.26 -4.95 118.95 112.77 1upc s ARG 506 Ca 0.00 -1.25 0.01 0.00 -0.47 0.00 0.00 55.73 54.02 1upc s ARG 506 Cb 0.00 0.49 0.03 0.00 -0.57 0.00 0.00 34.95 34.90 1upc s ARG 506 CO 0.00 -0.69 0.76 -1.12 -1.08 0.00 0.00 175.30 173.17 1upc s SER 507 N -3.02 5.40 -0.30 -2.89 0.01 -1.26 -3.55 113.70 108.09 1upc s SER 507 Ca 0.21 0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.57 1upc s SER 507 Cb -0.02 -1.06 0.15 0.00 0.21 0.00 0.00 66.02 65.30 1upc s SER 507 CO 0.09 -1.05 0.34 -2.28 0.41 0.00 0.00 173.24 170.75 1upc s HIS 508 N -2.74 -0.60 0.27 2.43 2.46 -1.26 -5.07 115.29 110.79 1upc s HIS 508 Ca 0.55 -0.14 -0.00 0.00 0.47 0.00 0.00 55.06 55.94 1upc s HIS 508 Cb -0.10 -0.36 0.50 0.00 -0.13 0.00 0.00 32.58 32.49 1upc s HIS 508 CO 0.39 -0.95 1.84 -0.44 -2.47 0.00 0.00 174.74 173.11 1upc h ASP 509 N 8.04 0.93 -0.19 9.88 3.32 -1.98 -2.66 116.42 133.76 1upc h ASP 509 Ca -0.09 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.06 1upc h ASP 509 Cb 1.08 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 1upc h ASP 509 CO 0.29 0.52 0.30 -0.65 -1.72 0.00 0.00 179.24 177.99 1upc h PRO 510 N 1.02 0.00 0.00 3.56 0.11 -1.98 0.14 132.00 134.86 1upc h PRO 510 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1upc h PRO 510 Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.51 1upc h PRO 510 CO -0.24 0.00 -0.72 0.00 -0.21 0.00 0.00 178.00 176.82 1upc n ALA 511 N -2.20 3.17 -0.01 -0.75 0.00 -1.00 -4.62 120.51 115.10 1upc n ALA 511 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1upc n ALA 511 Cb 0.42 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1upc n ALA 511 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1upc n VAL 512 N -1.97 0.00 -3.96 0.00 0.24 -0.68 -5.00 118.33 106.96 1upc n VAL 512 Ca 0.03 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.98 1upc n VAL 512 Cb 0.42 0.82 -0.08 0.00 -1.47 0.00 0.00 33.84 33.53 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 3.70 0.30 7.34 -0.14 0.40 -0.76 119.74 130.58 1upc s LYS 513 Ca 0.00 -0.26 0.08 0.00 -1.36 0.00 0.00 55.97 54.43 1upc s LYS 513 Cb 0.00 -3.19 -0.04 0.00 -1.68 0.00 0.00 37.83 32.93 1upc s LYS 513 CO 0.00 0.50 0.15 -0.06 -0.76 0.00 0.00 175.35 175.18 1upc s PHE 514 N -0.26 2.85 0.53 3.18 0.08 -0.38 -4.87 117.98 119.12 1upc s PHE 514 Ca 0.09 -0.25 -0.09 0.00 0.12 0.00 0.00 56.93 56.80 1upc s PHE 514 Cb -0.12 -1.49 0.12 0.00 -0.57 0.00 0.00 43.02 40.96 1upc s PHE 514 CO 0.01 0.43 0.70 0.41 -0.10 0.00 0.00 175.22 176.67 1upc n GLY 515 N -1.14 -1.45 3.76 4.36 0.00 -1.26 -4.81 105.19 104.65 1upc n GLY 515 Ca -0.05 -1.67 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 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 -4.45 3.06 -0.07 -0.02 0.00 -1.26 -4.90 107.32 99.69 1upc s GLY 516 Ca 0.40 0.67 0.04 0.00 0.00 0.00 0.00 44.72 45.82 1upc s GLY 516 CO 0.28 1.22 -0.17 0.14 0.00 0.00 0.00 173.10 174.57 1upc s VAL 517 N -1.24 1.51 -0.90 1.40 1.01 -1.26 -5.09 120.40 115.83 1upc s VAL 517 Ca 0.43 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 61.51 1upc s VAL 517 Cb -0.26 -1.32 0.14 0.00 0.00 0.00 0.00 36.38 34.94 1upc s VAL 517 CO 0.33 0.44 1.07 -0.62 0.00 0.00 0.00 175.10 176.31 1upc s ASP 518 N 0.33 6.61 0.44 3.32 -1.08 -1.26 -4.89 116.67 120.14 1upc s ASP 518 Ca -0.11 -2.04 0.22 0.00 -0.52 0.00 0.00 52.55 50.09 1upc s ASP 518 Cb -0.15 -2.38 1.02 0.00 -1.46 0.00 0.00 42.92 39.95 1upc s ASP 518 CO 0.04 -1.03 1.90 -0.26 0.52 0.00 0.00 175.17 176.34 1upc h PHE 519 N 8.77 0.00 0.12 -5.34 0.04 -1.98 0.11 116.94 118.66 1upc h PHE 519 Ca 0.12 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 1upc h PHE 519 Cb 1.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.18 1upc h PHE 519 CO 1.14 0.25 -0.06 0.28 -0.60 0.00 0.00 178.31 179.32 1upc h VAL 520 N 0.00 0.91 -0.61 -0.55 2.07 -1.90 0.98 116.25 117.16 1upc h VAL 520 Ca -0.00 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1upc h VAL 520 Cb 0.61 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1upc h VAL 520 CO 0.03 0.03 0.18 0.00 0.02 0.00 0.00 177.57 177.83 1upc h ALA 521 N 0.66 0.81 -0.18 1.67 0.00 -1.81 -1.82 119.26 118.58 1upc h ALA 521 Ca -0.02 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1upc h ALA 521 Cb 0.17 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1upc h ALA 521 CO 0.03 0.49 -0.09 1.25 0.00 0.00 0.00 179.25 180.93 1upc h LEU 522 N 0.89 -0.30 -0.42 0.00 5.85 -0.72 -1.41 115.31 119.19 1upc h LEU 522 Ca 0.20 0.07 0.05 0.00 0.84 0.00 0.00 57.88 59.04 1upc h LEU 522 Cb 0.32 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 1upc h LEU 522 CO -0.00 -0.12 0.15 0.00 -0.34 0.00 0.00 178.44 178.12 1upc h ALA 523 N 1.09 0.50 -0.46 1.25 0.00 -0.68 -2.88 119.26 118.07 1upc h ALA 523 Ca 0.10 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1upc h ALA 523 Cb 0.22 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1upc h ALA 523 CO -0.23 -0.24 0.10 0.93 0.00 0.00 0.00 179.25 179.81 1upc h GLU 524 N 0.31 0.70 0.00 0.00 5.08 -0.94 0.36 114.58 120.09 1upc h GLU 524 Ca 0.20 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1upc h GLU 524 Cb 0.19 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1upc h GLU 524 CO -0.20 0.64 -0.13 0.00 -1.00 0.00 0.00 179.01 178.32 1upc h ALA 525 N 1.44 1.59 -0.08 3.43 0.00 -1.11 -0.84 119.26 123.69 1upc h ALA 525 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1upc h ALA 525 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1upc h ALA 525 CO -0.00 0.16 0.00 0.09 0.00 0.00 0.00 179.25 179.50 1upc n ASN 526 N -4.11 1.36 0.00 0.00 3.02 -0.53 -4.91 115.26 110.09 1upc n ASN 526 Ca -0.02 -1.55 0.00 0.00 -0.03 0.00 0.00 54.58 52.97 1upc n ASN 526 Cb 0.21 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 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 1.11 0.44 3.37 7.41 0.00 -0.32 -4.38 105.19 112.82 1upc n GLY 527 Ca 0.18 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 1upc n GLY 527 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upc s VAL 528 N -2.00 3.78 0.35 1.61 1.01 0.00 -4.88 120.40 120.28 1upc s VAL 528 Ca 0.00 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 1upc s VAL 528 Cb 0.00 -2.74 -0.11 0.00 0.00 0.00 0.00 36.38 33.53 1upc s VAL 528 CO 0.00 0.39 1.51 -1.81 0.00 0.00 0.00 175.10 175.19 1upc s ASP 529 N 1.51 6.35 0.20 3.32 1.11 -1.26 -2.35 116.67 125.55 1upc s ASP 529 Ca 0.06 3.02 -0.10 0.00 0.18 0.00 0.00 52.55 55.71 1upc s ASP 529 Cb -0.15 -2.66 -0.01 0.00 1.07 0.00 0.00 42.92 41.18 1upc s ASP 529 CO -0.00 -0.88 0.36 0.00 1.18 0.00 0.00 175.17 175.82 1upc s ALA 530 N -0.82 -0.05 0.12 5.23 0.00 -1.26 -1.24 121.76 123.73 1upc s ALA 530 Ca 0.56 -0.90 -0.25 0.00 0.00 0.00 0.00 51.96 51.37 1upc s ALA 530 Cb -0.47 0.98 0.08 0.00 0.00 0.00 0.00 23.12 23.71 1upc s ALA 530 CO 0.59 -0.73 0.71 -0.08 0.00 0.00 0.00 175.76 176.25 1upc s THR 531 N -3.99 0.00 -0.05 0.00 -1.32 -0.57 -4.94 115.64 104.77 1upc s THR 531 Ca 0.20 -0.10 -0.03 0.00 -1.21 0.00 0.00 61.69 60.55 1upc s THR 531 Cb 0.02 -1.11 -0.04 0.00 -1.51 0.00 0.00 72.50 69.86 1upc s THR 531 CO 0.04 0.00 0.13 -0.60 -2.21 0.00 0.00 174.62 171.98 1upc s ARG 532 N -3.56 3.32 -0.02 7.08 3.52 -1.26 -1.54 118.95 126.48 1upc s ARG 532 Ca 0.03 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.33 1upc s ARG 532 Cb -0.01 -3.05 0.02 0.00 -1.56 0.00 0.00 34.95 30.35 1upc s ARG 532 CO -0.10 0.70 0.02 0.00 -0.81 0.00 0.00 175.30 175.11 1upc s ALA 533 N -1.17 0.14 0.00 6.12 0.00 -0.52 -4.91 121.76 121.42 1upc s ALA 533 Ca 0.21 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1upc s ALA 533 Cb -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.77 1upc s ALA 533 CO 0.12 -0.08 0.05 0.25 0.00 0.00 0.00 175.76 176.10 1upc n THR 534 N 3.99 0.00 -4.14 0.00 -2.24 -1.26 -4.21 114.28 106.42 1upc n THR 534 Ca -0.25 -0.48 -0.16 0.00 -2.27 0.00 0.00 64.05 60.89 1upc n THR 534 Cb 0.52 1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.85 1.13 0.23 3.42 2.20 -1.26 -4.33 114.94 115.48 1upc s ASN 535 Ca 0.00 -1.57 -0.07 0.00 -0.94 0.00 0.00 52.86 50.28 1upc s ASN 535 Cb 0.00 0.64 0.32 0.00 -2.00 0.00 0.00 41.25 40.21 1upc s ASN 535 CO 0.00 -1.25 1.80 0.03 -2.94 0.00 0.00 177.10 174.74 1upc h ARG 536 N 2.11 0.67 -0.05 3.55 3.08 -1.95 0.08 114.38 121.86 1upc h ARG 536 Ca -0.27 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.73 1upc h ARG 536 Cb 1.24 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 1upc h ARG 536 CO 0.38 0.44 0.02 1.49 -1.07 0.00 0.00 179.97 181.23 1upc h GLU 537 N 0.69 0.08 -0.53 0.04 4.81 -1.99 0.12 114.58 117.80 1upc h GLU 537 Ca 0.35 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 1upc h GLU 537 Cb 0.30 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1upc h GLU 537 CO -0.23 0.26 0.24 0.93 -0.73 0.00 0.00 179.01 179.47 1upc h GLU 538 N -0.11 0.78 -0.10 1.92 5.08 -1.94 -2.49 114.58 117.72 1upc h GLU 538 Ca 0.02 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1upc h GLU 538 Cb 0.21 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1upc h GLU 538 CO -0.00 0.66 0.04 1.25 -1.00 0.00 0.00 179.01 179.96 1upc h LEU 539 N 0.72 0.14 -0.64 1.33 5.85 -0.72 -1.13 115.31 120.86 1upc h LEU 539 Ca 0.18 -0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.82 1upc h LEU 539 Cb 0.16 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 1upc h LEU 539 CO -0.02 0.28 0.26 -0.07 -0.34 0.00 0.00 178.44 178.55 1upc h LEU 540 N -0.00 0.27 -0.66 2.25 3.38 -0.75 -0.16 115.31 119.63 1upc h LEU 540 Ca 0.03 0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1upc h LEU 540 Cb 0.19 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1upc h LEU 540 CO -0.00 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.68 1upc h ALA 541 N 1.44 0.87 -0.33 1.53 0.00 -1.24 -1.94 119.26 119.60 1upc h ALA 541 Ca 0.33 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1upc h ALA 541 Cb 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1upc h ALA 541 CO -0.31 0.66 -0.30 0.00 0.00 0.00 0.00 179.25 179.30 1upc h ALA 542 N 1.04 0.48 -0.37 0.00 0.00 -0.70 -1.52 119.26 118.18 1upc h ALA 542 Ca 0.17 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1upc h ALA 542 Cb 0.54 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1upc h ALA 542 CO 0.03 0.51 0.22 -0.07 0.00 0.00 0.00 179.25 179.93 1upc h LEU 543 N 0.55 0.45 -0.88 0.00 3.38 -0.98 -0.86 115.31 116.97 1upc h LEU 543 Ca 0.06 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1upc h LEU 543 Cb 0.87 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1upc h LEU 543 CO 0.08 0.38 -0.37 0.03 0.09 0.00 0.00 178.44 178.65 1upc h ARG 544 N 0.48 0.38 0.16 1.13 3.08 -1.29 0.60 114.38 118.92 1upc h ARG 544 Ca 0.13 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1upc h ARG 544 Cb 0.02 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1upc h ARG 544 CO -0.02 0.69 -0.08 -0.22 -1.07 0.00 0.00 179.97 179.27 1upc h LYS 545 N 0.32 -0.21 -0.92 0.04 3.64 -1.16 -2.93 116.57 115.36 1upc h LYS 545 Ca 0.03 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.51 1upc h LYS 545 Cb 0.79 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.59 1upc h LYS 545 CO 0.06 0.05 0.57 0.78 -2.27 0.00 0.00 179.45 178.65 1upc h GLY 546 N -0.45 1.42 1.77 5.01 0.00 -0.76 -0.84 103.07 109.21 1upc h GLY 546 Ca -0.02 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 1upc h GLY 546 CO 0.04 0.24 -0.33 0.00 0.00 0.00 0.00 176.54 176.49 1upc h ALA 547 N 1.45 1.19 -0.02 3.60 0.00 -0.92 -2.88 119.26 121.67 1upc h ALA 547 Ca 0.42 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1upc h ALA 547 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1upc h ALA 547 CO -0.20 0.54 -0.06 0.39 0.00 0.00 0.00 179.25 179.92 1upc n GLU 548 N -4.09 2.00 0.06 0.00 1.02 -0.95 -4.51 120.64 114.17 1upc n GLU 548 Ca -0.01 -1.54 -0.05 0.00 -0.02 0.00 0.00 57.16 55.54 1upc n GLU 548 Cb 0.43 -1.47 0.15 0.00 -0.02 0.00 0.00 31.44 30.53 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 3.76 0.36 0.00 -4.62 5.85 -0.93 -3.47 115.31 116.25 1upc h LEU 549 Ca 0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1upc h LEU 549 Cb 0.83 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1upc h LEU 549 CO 0.00 0.78 0.00 0.61 -0.34 0.00 0.00 178.44 179.49 1upc n GLY 550 N 0.02 0.46 3.17 3.75 0.00 -1.26 -4.99 105.19 106.35 1upc n GLY 550 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.50 0.91 0.80 1.61 0.52 -1.26 -4.79 118.95 116.24 1upc s ARG 551 Ca 0.00 -1.41 -0.12 0.00 -0.52 0.00 0.00 55.73 53.68 1upc s ARG 551 Cb 0.00 -0.03 0.08 0.00 0.52 0.00 0.00 34.95 35.51 1upc s ARG 551 CO 0.00 -0.14 1.15 -1.25 0.02 0.00 0.00 175.30 175.09 1upc s PRO 552 N -3.93 1.84 -0.08 3.54 0.04 -1.24 -4.59 135.00 130.57 1upc s PRO 552 Ca 0.18 1.53 -0.16 0.00 0.04 0.00 0.00 61.00 62.59 1upc s PRO 552 Cb 0.07 -1.82 0.04 0.00 0.04 0.00 0.00 34.50 32.82 1upc s PRO 552 CO -0.01 -2.02 0.40 0.12 0.04 0.00 0.00 177.00 175.53 1upc s PHE 553 N -2.44 -0.36 -0.01 0.56 5.36 -0.91 -4.17 117.98 116.02 1upc s PHE 553 Ca 0.68 0.75 0.03 0.00 -0.96 0.00 0.00 56.93 57.43 1upc s PHE 553 Cb -0.24 0.16 -0.01 0.00 -0.34 0.00 0.00 43.02 42.60 1upc s PHE 553 CO 0.51 -0.34 -0.10 -1.17 -1.46 0.00 0.00 175.22 172.67 1upc s LEU 554 N -0.61 1.99 -0.13 6.12 0.20 -0.37 -1.49 118.68 124.38 1upc s LEU 554 Ca -0.07 -0.18 0.00 0.00 0.69 0.00 0.00 54.13 54.57 1upc s LEU 554 Cb -0.04 -0.52 0.02 0.00 -0.43 0.00 0.00 46.19 45.23 1upc s LEU 554 CO 0.03 0.11 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.45 1upc s ILE 555 N -0.17 1.39 -0.13 6.68 1.01 0.30 -1.51 121.20 128.78 1upc s ILE 555 Ca 0.03 -0.53 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 1upc s ILE 555 Cb -0.05 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 1upc s ILE 555 CO -0.00 0.43 0.27 -0.70 0.00 0.00 0.00 174.94 174.94 1upc s GLU 556 N 1.44 4.04 -0.12 2.79 2.12 -0.59 -1.39 118.70 126.99 1upc s GLU 556 Ca 0.02 0.09 -0.01 0.00 0.36 0.00 0.00 54.97 55.44 1upc s GLU 556 Cb -0.13 -3.34 0.03 0.00 0.26 0.00 0.00 34.13 30.94 1upc s GLU 556 CO -0.08 0.42 -0.05 0.08 -0.54 0.00 0.00 175.26 175.09 1upc s VAL 557 N -0.09 0.90 0.35 3.70 1.01 -0.66 -1.44 120.40 124.17 1upc s VAL 557 Ca 0.17 -0.29 -0.27 0.00 0.00 0.00 0.00 61.98 61.58 1upc s VAL 557 Cb -0.13 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.16 1upc s VAL 557 CO 0.05 0.27 1.19 -2.16 0.00 0.00 0.00 175.10 174.45 1upc s PRO 558 N 1.75 4.29 0.16 2.72 0.04 -1.26 -0.70 135.00 141.99 1upc s PRO 558 Ca 0.04 1.94 -0.01 0.00 0.04 0.00 0.00 61.00 63.01 1upc s PRO 558 Cb -0.13 -2.91 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 1upc s PRO 558 CO -0.08 -0.15 0.08 0.14 0.04 0.00 0.00 177.00 177.04 1upc s VAL 559 N -1.27 0.08 0.11 -0.36 -7.23 0.10 -2.03 120.40 109.79 1upc s VAL 559 Ca 0.52 -1.94 -0.04 0.00 -1.81 0.00 0.00 61.98 58.70 1upc s VAL 559 Cb -0.34 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 1upc s VAL 559 CO 0.43 -0.30 0.10 0.20 -0.31 0.00 0.00 175.10 175.22 1upc s ASN 560 N -3.09 0.28 -0.15 4.85 -0.87 -1.11 -4.36 114.94 110.48 1upc s ASN 560 Ca 0.29 -0.98 0.06 0.00 -1.57 0.00 0.00 52.86 50.66 1upc s ASN 560 Cb 0.07 0.30 -0.13 0.00 -0.02 0.00 0.00 41.25 41.47 1upc s ASN 560 CO 0.05 -0.72 -0.05 -1.22 -2.57 0.00 0.00 177.10 172.59 1upc n TYR 561 N -0.05 0.00 -3.10 2.20 4.01 -1.26 -4.54 117.16 114.43 1upc n TYR 561 Ca -0.10 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.50 1upc n TYR 561 Cb 0.63 -0.65 0.06 0.00 -0.31 0.00 0.00 39.34 39.07 1upc n TYR 561 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1upc n ASP 562 N -2.75 -2.86 -4.88 7.72 -0.08 -1.26 -4.96 116.55 107.49 1upc n ASP 562 Ca -0.26 -0.43 -0.30 0.00 -1.51 0.00 0.00 54.79 52.30 1upc n ASP 562 Cb 0.87 -3.81 -0.03 0.00 2.34 0.00 0.00 41.12 40.49 1upc n ASP 562 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1upc s PHE 563 N -3.25 3.48 -0.42 -0.67 -0.12 -1.26 -5.05 117.98 110.69 1upc s PHE 563 Ca 0.11 0.98 0.02 0.00 -0.05 0.00 0.00 56.93 57.99 1upc s PHE 563 Cb -0.05 -2.39 0.13 0.00 -0.63 0.00 0.00 43.02 40.08 1upc s PHE 563 CO 0.52 -0.08 0.22 -0.65 -0.05 0.00 0.00 175.22 175.18 1upc s GLN 564 N -3.86 1.23 0.00 1.99 1.11 -1.26 -5.03 119.66 113.84 1upc s GLN 564 Ca 0.50 -1.90 0.00 0.00 0.01 0.00 0.00 55.36 53.97 1upc s GLN 564 Cb -0.10 -2.32 0.00 0.00 -1.01 0.00 0.00 33.01 29.57 1upc s GLN 564 CO 0.32 -1.14 0.00 -2.30 0.01 0.00 0.00 175.29 172.18 1upc n PRO 565 N 3.70 0.00 0.05 2.91 -0.01 -1.26 -3.91 135.00 136.48 1upc n PRO 565 Ca 0.07 0.00 -0.04 0.00 -0.01 0.00 0.00 63.50 63.53 1upc n PRO 565 Cb 0.35 -0.87 -0.02 0.00 -0.01 0.00 0.00 33.50 32.95 1upc n PRO 565 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 175.50 176.27 1upc h GLY 566 N 0.00 -0.96 -3.05 -1.23 0.00 -1.97 -3.40 103.07 92.45 1upc h GLY 566 Ca 0.00 0.43 -0.27 0.00 0.00 0.00 0.00 47.33 47.49 1upc h GLY 566 CO 0.00 -0.34 0.34 0.61 0.00 0.00 0.00 176.54 177.15 1upc n GLY 567 N -1.11 3.36 1.03 4.60 0.00 -1.25 -4.52 105.19 107.29 1upc n GLY 567 Ca -0.02 -0.62 0.08 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.22 1.08 0.31 1.61 3.72 -1.26 -2.75 117.46 119.95 1upc n PHE 568 Ca 0.30 -0.82 0.19 0.00 -0.05 0.00 0.00 57.45 57.07 1upc n PHE 568 Cb 1.01 -0.32 1.03 0.00 -0.94 0.00 0.00 39.48 40.26 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 2.19 0.00 2.00 1.37 0.00 -1.90 -2.52 103.07 104.21 1upc h GLY 569 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1upc h GLY 569 CO 0.24 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.78 1upc n ALA 570 N -2.16 1.48 1.26 3.60 0.00 -1.26 -2.37 120.51 121.06 1upc n ALA 570 Ca -0.02 0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.57 1upc n ALA 570 Cb 0.13 -1.24 0.70 0.00 0.00 0.00 0.00 19.45 19.03 1upc n ALA 570 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1upc n LEU 571 N -1.76 0.00 0.00 0.00 4.77 -0.95 -4.89 117.00 114.17 1upc n LEU 571 Ca 0.02 0.34 0.16 0.00 -0.03 0.00 0.00 56.01 56.50 1upc n LEU 571 Cb 0.14 -0.34 0.93 0.00 -2.33 0.00 0.00 43.42 41.82 1upc n LEU 571 CO 0.12 -0.01 1.09 -1.20 -1.33 0.00 0.00 177.39 176.06