#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upa s THR 13 N 0.00 2.02 0.50 0.52 2.01 -1.26 -4.54 115.64 114.89 1upa s THR 13 Ca 0.00 -2.03 0.22 0.00 0.31 0.00 0.00 61.69 60.19 1upa s THR 13 Cb 0.00 -2.95 0.38 0.00 0.01 0.00 0.00 72.50 69.94 1upa s THR 13 CO 0.00 -0.03 1.98 0.00 -0.69 0.00 0.00 174.62 175.88 1upa h ALA 14 N 1.81 2.37 -0.47 7.40 0.00 -1.10 -1.26 119.26 128.01 1upa h ALA 14 Ca -0.44 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.48 1upa h ALA 14 Cb 1.24 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1upa h ALA 14 CO 0.79 -0.53 0.29 0.00 0.00 0.00 0.00 179.25 179.80 1upa h ALA 15 N 1.71 0.59 -0.13 0.00 0.00 -1.59 0.19 119.26 120.04 1upa h ALA 15 Ca 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1upa h ALA 15 Cb 0.93 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1upa h ALA 15 CO -0.03 -0.02 0.07 1.25 0.00 0.00 0.00 179.25 180.52 1upa h HIS 16 N 0.57 0.17 -0.18 0.00 6.17 -1.59 -1.98 115.15 118.32 1upa h HIS 16 Ca 0.18 -0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.22 1upa h HIS 16 Cb -0.01 -0.06 -0.01 0.00 2.52 0.00 0.00 27.41 29.86 1upa h HIS 16 CO -0.06 0.18 -0.08 0.00 0.71 0.00 0.00 177.93 178.68 1upa h ALA 17 N 0.98 1.54 0.49 5.26 0.00 -0.98 -0.04 119.26 126.51 1upa h ALA 17 Ca 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1upa h ALA 17 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1upa h ALA 17 CO -0.01 0.33 -0.23 1.25 0.00 0.00 0.00 179.25 180.59 1upa h LEU 18 N 0.26 -0.55 -1.03 0.00 5.85 -0.56 -1.49 115.31 117.79 1upa h LEU 18 Ca 0.06 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1upa h LEU 18 Cb 0.31 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1upa h LEU 18 CO 0.02 -0.24 0.53 -0.07 -0.34 0.00 0.00 178.44 178.33 1upa h LEU 19 N -0.88 1.06 -0.93 2.25 3.38 -1.13 -1.35 115.31 117.71 1upa h LEU 19 Ca -0.07 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1upa h LEU 19 Cb 0.59 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1upa h LEU 19 CO 0.11 0.81 -0.09 -1.28 0.09 0.00 0.00 178.44 178.08 1upa h SER 20 N 1.21 0.66 0.39 -0.43 0.87 -1.01 -0.81 113.55 114.44 1upa h SER 20 Ca 0.32 -0.18 -0.24 0.00 -1.23 0.00 0.00 61.79 60.45 1upa h SER 20 Cb -0.05 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 61.74 1upa h SER 20 CO -0.06 0.80 -1.04 -0.09 -0.53 0.00 0.00 176.83 175.91 1upa h ARG 21 N 0.63 0.39 -0.20 2.24 9.65 -0.82 -0.92 114.38 125.36 1upa h ARG 21 Ca 0.11 -0.48 0.03 0.00 -1.10 0.00 0.00 59.98 58.54 1upa h ARG 21 Cb 0.53 0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 29.23 1upa h ARG 21 CO 0.03 1.15 0.01 -0.07 2.80 0.00 0.00 179.97 183.90 1upa h LEU 22 N 0.19 -0.05 -1.17 3.80 3.38 -1.02 -2.37 115.31 118.08 1upa h LEU 22 Ca -0.10 0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1upa h LEU 22 Cb 1.70 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.47 1upa h LEU 22 CO 0.18 0.00 0.56 -0.09 0.09 0.00 0.00 178.44 179.19 1upa h ARG 23 N 0.08 1.10 -0.63 1.13 2.43 -1.01 -1.18 114.38 116.30 1upa h ARG 23 Ca 0.09 -0.07 0.10 0.00 -0.81 0.00 0.00 59.98 59.29 1upa h ARG 23 Cb 0.11 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 1upa h ARG 23 CO -0.14 0.73 0.42 -0.44 -1.51 0.00 0.00 179.97 179.02 1upa h ASP 24 N 1.13 0.41 -0.20 -3.80 3.32 -0.68 -1.03 116.42 115.57 1upa h ASP 24 Ca 0.32 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1upa h ASP 24 Cb -0.09 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.39 1upa h ASP 24 CO -0.08 0.25 0.00 1.41 -1.72 0.00 0.00 179.24 179.10 1upa n HIS 25 N -4.47 0.69 -0.78 4.55 8.25 -0.50 -4.76 115.22 118.20 1upa n HIS 25 Ca 0.10 -0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1upa n HIS 25 Cb 0.36 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.25 1upa n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1upa n GLY 26 N 0.26 0.78 3.69 -1.41 0.00 -0.39 -4.72 105.19 103.41 1upa n GLY 26 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1upa n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upa s VAL 27 N -2.96 4.71 -0.30 1.61 1.01 -0.90 -4.90 120.40 118.67 1upa s VAL 27 Ca 0.00 1.98 0.06 0.00 0.00 0.00 0.00 61.98 64.02 1upa s VAL 27 Cb 0.00 -4.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 1upa s VAL 27 CO 0.00 0.01 0.27 0.61 0.00 0.00 0.00 175.10 175.99 1upa n GLY 28 N 3.12 0.39 3.03 4.51 0.00 -1.26 -3.97 105.19 111.01 1upa n GLY 28 Ca 0.09 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 1upa n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upa s LYS 29 N -1.52 0.65 -0.22 1.61 -0.14 -1.26 -1.68 119.74 117.18 1upa s LYS 29 Ca 0.02 -0.44 0.01 0.00 -1.36 0.00 0.00 55.97 54.20 1upa s LYS 29 Cb 0.05 -0.59 0.03 0.00 -1.68 0.00 0.00 37.83 35.64 1upa s LYS 29 CO 0.24 0.15 -0.15 0.08 -0.76 0.00 0.00 175.35 174.91 1upa s VAL 30 N -0.52 2.25 0.00 3.17 1.01 -0.09 -4.25 120.40 121.97 1upa s VAL 30 Ca 0.00 -1.15 -0.19 0.00 0.00 0.00 0.00 61.98 60.64 1upa s VAL 30 Cb -0.05 -2.10 -0.06 0.00 0.00 0.00 0.00 36.38 34.18 1upa s VAL 30 CO 0.00 0.31 0.56 -0.36 0.00 0.00 0.00 175.10 175.61 1upa s PHE 31 N 1.24 3.70 -2.26 5.22 0.40 -0.80 -0.06 117.98 125.42 1upa s PHE 31 Ca 0.00 1.16 0.00 0.00 -0.60 0.00 0.00 56.93 57.49 1upa s PHE 31 Cb -0.16 -2.55 0.00 0.00 0.51 0.00 0.00 43.02 40.83 1upa s PHE 31 CO -0.09 0.41 0.00 0.41 0.70 0.00 0.00 175.22 176.65 1upa n GLY 32 N 2.32 -1.40 3.01 4.36 0.00 -0.77 -0.45 105.19 112.25 1upa n GLY 32 Ca -0.08 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 1upa n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upa s VAL 33 N -2.86 1.33 0.01 1.61 1.01 -1.04 -1.41 120.40 119.06 1upa s VAL 33 Ca 0.00 -0.53 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 1upa s VAL 33 Cb 0.00 -1.25 -0.06 0.00 0.00 0.00 0.00 36.38 35.07 1upa s VAL 33 CO 0.00 0.41 0.53 -0.69 0.00 0.00 0.00 175.10 175.35 1upa s VAL 34 N 1.19 4.92 0.00 2.92 1.01 -1.26 -3.63 120.40 125.55 1upa s VAL 34 Ca -0.03 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.05 1upa s VAL 34 Cb -0.14 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1upa s VAL 34 CO -0.04 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1upa n GLY 35 N 2.19 2.51 0.12 4.51 0.00 -1.26 -4.94 105.19 108.32 1upa n GLY 35 Ca -0.10 -1.92 0.10 0.00 0.00 0.00 0.00 46.02 44.10 1upa n GLY 35 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1upa n ARG 36 N 0.00 0.14 0.00 1.61 1.85 -1.26 -1.36 116.66 117.65 1upa n ARG 36 Ca 0.00 0.48 0.00 0.00 -1.00 0.00 0.00 57.85 57.33 1upa n ARG 36 Cb 0.00 -1.84 0.00 0.00 -1.05 0.00 0.00 32.46 29.57 1upa n ARG 36 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1upa n GLU 37 N -2.12 0.00 0.32 2.89 0.00 -1.26 -2.10 120.64 118.37 1upa n GLU 37 Ca 0.01 0.34 0.18 0.00 0.00 0.00 0.00 57.16 57.69 1upa n GLU 37 Cb 0.14 -1.51 1.05 0.00 0.00 0.00 0.00 31.44 31.12 1upa n GLU 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1upa h ALA 38 N 1.94 1.29 0.00 -1.84 0.00 -1.37 0.18 119.26 119.47 1upa h ALA 38 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1upa h ALA 38 Cb 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1upa h ALA 38 CO 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.22 1upa h ALA 39 N 2.00 1.73 0.00 0.00 0.00 -1.70 -3.13 119.26 118.16 1upa h ALA 39 Ca -0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1upa h ALA 39 Cb 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1upa h ALA 39 CO 0.00 0.04 -1.91 0.43 0.00 0.00 0.00 179.25 177.82 1upa n SER 40 N -4.19 0.62 -3.69 0.00 7.64 0.53 -4.96 113.62 109.58 1upa n SER 40 Ca -0.03 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.71 1upa n SER 40 Cb 0.12 1.79 -0.14 0.00 -1.01 0.00 0.00 64.21 64.96 1upa n SER 40 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1upa s ILE 41 N -3.25 -0.24 -0.07 0.44 2.07 -0.48 -4.48 121.20 115.19 1upa s ILE 41 Ca -0.07 0.27 -0.03 0.00 -1.41 0.00 0.00 60.65 59.40 1upa s ILE 41 Cb 0.12 -0.35 -0.27 0.00 0.13 0.00 0.00 42.46 42.09 1upa s ILE 41 CO 0.79 0.11 0.55 -0.07 -1.91 0.00 0.00 174.94 174.41 1upa h LEU 42 N 7.95 0.37 0.00 8.50 3.38 -1.88 -3.36 115.31 130.26 1upa h LEU 42 Ca -0.23 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.03 1upa h LEU 42 Cb 1.13 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1upa h LEU 42 CO 0.23 1.62 0.00 0.49 0.09 0.00 0.00 178.44 180.87 1upa n PHE 43 N -3.42 0.00 -0.01 1.13 3.72 -1.26 -4.94 117.46 112.69 1upa n PHE 43 Ca -0.25 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.19 1upa n PHE 43 Cb 1.05 -0.17 0.10 0.00 -0.94 0.00 0.00 39.48 39.52 1upa n PHE 43 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1upa n ASP 44 N 0.70 2.49 0.25 4.37 5.75 -1.26 -4.55 116.55 124.29 1upa n ASP 44 Ca 0.00 -1.84 0.11 0.00 -0.01 0.00 0.00 54.79 53.05 1upa n ASP 44 Cb 0.00 -0.14 0.64 0.00 -1.03 0.00 0.00 41.12 40.59 1upa n ASP 44 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1upa h GLU 45 N 1.68 0.00 -4.12 0.11 3.07 -1.92 -3.42 114.58 109.98 1upa h GLU 45 Ca 0.00 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.38 1upa h GLU 45 Cb 0.61 0.00 -0.36 0.00 -0.84 0.00 0.00 28.75 28.16 1upa h GLU 45 CO 0.00 0.16 -0.79 0.08 -1.40 0.00 0.00 179.01 177.06 1upa s VAL 46 N -4.12 0.80 0.23 3.13 1.01 -1.26 -5.00 120.40 115.19 1upa s VAL 46 Ca -0.02 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 1upa s VAL 46 Cb 0.13 -0.83 -0.10 0.00 0.00 0.00 0.00 36.38 35.58 1upa s VAL 46 CO 0.61 0.31 1.41 -0.70 0.00 0.00 0.00 175.10 176.74 1upa s GLU 47 N 1.44 4.29 0.00 2.72 2.12 -1.26 -3.14 118.70 124.88 1upa s GLU 47 Ca -0.01 2.24 0.00 0.00 0.36 0.00 0.00 54.97 57.56 1upa s GLU 47 Cb -0.13 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.12 1upa s GLU 47 CO -0.04 -0.39 0.00 0.41 -0.54 0.00 0.00 175.26 174.70 1upa n GLY 48 N 2.31 0.66 3.01 -1.50 0.00 -1.26 -5.05 105.19 103.36 1upa n GLY 48 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1upa n GLY 48 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1upa s ILE 49 N -2.45 1.36 0.11 -0.61 2.07 -1.19 -4.42 121.20 116.07 1upa s ILE 49 Ca 0.00 -0.54 0.10 0.00 -1.41 0.00 0.00 60.65 58.81 1upa s ILE 49 Cb 0.00 -1.28 -0.04 0.00 0.13 0.00 0.00 42.46 41.27 1upa s ILE 49 CO 0.00 0.42 -0.26 -1.81 -1.91 0.00 0.00 174.94 171.38 1upa s ASP 50 N 1.24 3.33 0.00 4.50 1.01 -0.68 -4.81 116.67 121.27 1upa s ASP 50 Ca -0.02 -0.70 -0.21 0.00 0.71 0.00 0.00 52.55 52.33 1upa s ASP 50 Cb -0.14 -0.26 -0.05 0.00 1.01 0.00 0.00 42.92 43.48 1upa s ASP 50 CO -0.05 0.20 0.62 0.12 0.21 0.00 0.00 175.17 176.27 1upa s PHE 51 N -1.00 3.69 -0.37 4.23 5.36 -1.26 -0.91 117.98 127.71 1upa s PHE 51 Ca 0.14 1.23 -0.02 0.00 -0.96 0.00 0.00 56.93 57.32 1upa s PHE 51 Cb -0.10 -2.63 0.09 0.00 -0.34 0.00 0.00 43.02 40.04 1upa s PHE 51 CO 0.05 0.34 0.14 0.08 -1.46 0.00 0.00 175.22 174.37 1upa s VAL 52 N -0.16 3.13 0.05 3.12 1.01 0.91 -4.92 120.40 123.54 1upa s VAL 52 Ca 0.32 -1.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.09 1upa s VAL 52 Cb -0.18 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1upa s VAL 52 CO 0.18 -0.54 1.03 -0.22 0.00 0.00 0.00 175.10 175.55 1upa s LEU 53 N 1.15 4.41 0.50 3.92 2.96 -1.26 -1.84 118.68 128.52 1upa s LEU 53 Ca 0.05 1.80 0.04 0.00 -0.22 0.00 0.00 54.13 55.80 1upa s LEU 53 Cb -0.22 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.89 1upa s LEU 53 CO -0.04 -0.25 0.20 0.42 -1.32 0.00 0.00 176.35 175.37 1upa s THR 54 N 0.66 1.61 -0.22 3.68 -4.23 -0.50 -4.91 115.64 111.72 1upa s THR 54 Ca 0.52 -1.73 0.20 0.00 -1.18 0.00 0.00 61.69 59.50 1upa s THR 54 Cb -0.24 -2.34 0.01 0.00 1.34 0.00 0.00 72.50 71.28 1upa s THR 54 CO 0.29 0.00 1.10 0.03 -0.54 0.00 0.00 174.62 175.50 1upa h ARG 55 N 1.13 0.00 -3.13 3.99 2.47 -1.90 -3.44 114.38 113.50 1upa h ARG 55 Ca -0.41 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.18 1upa h ARG 55 Cb 1.30 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 29.40 1upa h ARG 55 CO 0.66 0.13 -0.35 -1.58 0.56 0.00 0.00 179.97 179.39 1upa s HIS 56 N -3.19 -0.18 0.39 3.04 2.46 -1.26 -5.04 115.29 111.52 1upa s HIS 56 Ca 0.00 0.34 0.11 0.00 0.47 0.00 0.00 55.06 55.99 1upa s HIS 56 Cb 0.08 0.07 0.80 0.00 -0.13 0.00 0.00 32.58 33.40 1upa s HIS 56 CO 0.78 -0.30 1.89 0.93 -2.47 0.00 0.00 174.74 175.57 1upa h GLU 57 N 4.49 0.11 -0.76 2.88 3.07 -1.91 -2.51 114.58 119.96 1upa h GLU 57 Ca -0.29 -0.03 0.10 0.00 -0.50 0.00 0.00 59.36 58.64 1upa h GLU 57 Cb 1.18 -0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 29.01 1upa h GLU 57 CO 0.38 0.34 0.40 0.35 -1.40 0.00 0.00 179.01 179.08 1upa h PHE 58 N 0.10 0.72 -0.79 4.33 3.57 -1.87 -1.70 116.94 121.31 1upa h PHE 58 Ca 0.02 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 1upa h PHE 58 Cb 0.48 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1upa h PHE 58 CO 0.00 0.27 0.29 1.15 -2.23 0.00 0.00 178.31 177.79 1upa h THR 59 N 0.67 1.26 -0.18 4.41 2.02 -1.82 -1.33 112.91 117.94 1upa h THR 59 Ca 0.37 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1upa h THR 59 Cb 0.38 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1upa h THR 59 CO -0.26 0.35 0.08 0.00 0.37 0.00 0.00 175.52 176.05 1upa h ALA 60 N 1.16 0.23 -0.50 6.16 0.00 -1.28 -1.01 119.26 124.02 1upa h ALA 60 Ca 0.26 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1upa h ALA 60 Cb 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1upa h ALA 60 CO -0.02 -0.19 0.17 0.78 0.00 0.00 0.00 179.25 180.00 1upa h GLY 61 N 0.15 0.83 1.08 0.00 0.00 -1.11 -2.12 103.07 101.89 1upa h GLY 61 Ca 0.06 -0.48 -0.14 0.00 0.00 0.00 0.00 47.33 46.78 1upa h GLY 61 CO -0.01 0.45 -0.28 -2.08 0.00 0.00 0.00 176.54 174.62 1upa h VAL 62 N 0.68 1.28 -0.77 4.60 2.07 -1.20 -1.69 116.25 121.21 1upa h VAL 62 Ca 0.16 -1.44 0.06 0.00 0.82 0.00 0.00 66.70 66.30 1upa h VAL 62 Cb 0.25 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 1upa h VAL 62 CO -0.01 0.48 0.46 0.00 0.02 0.00 0.00 177.57 178.53 1upa h ALA 63 N 0.80 1.05 -0.49 1.67 0.00 -1.04 -1.54 119.26 119.70 1upa h ALA 63 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1upa h ALA 63 Cb 0.86 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1upa h ALA 63 CO 0.08 0.18 -0.12 0.00 0.00 0.00 0.00 179.25 179.39 1upa h ALA 64 N 1.37 0.68 -0.50 0.00 0.00 -1.23 -1.67 119.26 117.92 1upa h ALA 64 Ca 0.34 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1upa h ALA 64 Cb 0.17 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1upa h ALA 64 CO -0.17 0.59 0.25 0.22 0.00 0.00 0.00 179.25 180.14 1upa h ASP 65 N 0.80 0.36 0.24 0.00 1.82 -0.93 -1.40 116.42 117.30 1upa h ASP 65 Ca 0.12 0.03 -0.28 0.00 -0.39 0.00 0.00 57.03 56.52 1upa h ASP 65 Cb 0.67 -0.04 0.02 0.00 0.68 0.00 0.00 39.33 40.66 1upa h ASP 65 CO 0.05 0.25 -1.16 0.58 -1.61 0.00 0.00 179.24 177.35 1upa h VAL 66 N 0.49 1.34 -0.34 2.25 2.07 -1.19 -0.82 116.25 120.05 1upa h VAL 66 Ca 0.22 -2.52 -0.04 0.00 0.82 0.00 0.00 66.70 65.18 1upa h VAL 66 Cb 0.13 2.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 1upa h VAL 66 CO -0.15 0.76 0.03 0.25 0.02 0.00 0.00 177.57 178.48 1upa h LEU 67 N 0.25 0.48 -0.72 2.57 5.85 -1.27 -1.69 115.31 120.77 1upa h LEU 67 Ca -0.15 -0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.36 1upa h LEU 67 Cb 1.82 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.72 1upa h LEU 67 CO 0.21 0.52 -0.49 0.00 -0.34 0.00 0.00 178.44 178.35 1upa h ALA 68 N 1.54 0.90 -0.20 1.25 0.00 -1.01 -1.70 119.26 120.05 1upa h ALA 68 Ca 0.11 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1upa h ALA 68 Cb 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1upa h ALA 68 CO 0.00 0.66 0.02 -0.09 0.00 0.00 0.00 179.25 179.84 1upa h ARG 69 N 0.30 0.34 0.06 0.00 2.43 -0.63 -0.42 114.38 116.45 1upa h ARG 69 Ca 0.01 -0.10 -0.25 0.00 -0.81 0.00 0.00 59.98 58.84 1upa h ARG 69 Cb 0.97 -0.04 0.02 0.00 -0.42 0.00 0.00 29.97 30.50 1upa h ARG 69 CO 0.08 0.52 -1.01 0.82 -1.51 0.00 0.00 179.97 178.87 1upa h ILE 70 N 0.12 1.33 0.00 1.20 2.04 -1.34 -3.27 117.51 117.59 1upa h ILE 70 Ca 0.06 -2.32 -0.09 0.00 1.00 0.00 0.00 64.86 63.51 1upa h ILE 70 Cb 0.35 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 1upa h ILE 70 CO 0.01 0.70 -0.45 0.71 0.00 0.00 0.00 178.15 179.12 1upa h THR 71 N 0.18 0.90 0.00 -0.27 1.35 -1.42 -3.48 112.91 110.18 1upa h THR 71 Ca -0.14 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 63.85 1upa h THR 71 Cb 1.70 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 70.28 1upa h THR 71 CO 0.20 0.44 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 1upa n GLY 72 N 0.67 0.58 3.44 5.82 0.00 -0.17 -5.03 105.19 110.49 1upa n GLY 72 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1upa n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upa s ARG 73 N -0.26 1.57 0.41 1.61 1.81 -1.22 -4.90 118.95 117.98 1upa s ARG 73 Ca 0.00 -1.47 -0.26 0.00 -1.72 0.00 0.00 55.73 52.27 1upa s ARG 73 Cb 0.00 -1.89 -0.09 0.00 -0.45 0.00 0.00 34.95 32.52 1upa s ARG 73 CO 0.00 0.41 1.41 -2.14 -0.68 0.00 0.00 175.30 174.30 1upa s PRO 74 N -2.61 3.89 0.43 3.54 0.02 -1.26 -4.32 135.00 134.69 1upa s PRO 74 Ca 0.20 2.39 0.03 0.00 0.02 0.00 0.00 61.00 63.64 1upa s PRO 74 Cb -0.08 -2.78 -0.01 0.00 0.02 0.00 0.00 34.50 31.64 1upa s PRO 74 CO 0.10 -0.64 0.11 1.04 -0.33 0.00 0.00 177.00 177.28 1upa n GLN 75 N 0.10 0.64 -3.79 5.54 1.13 -0.97 -4.66 117.38 115.38 1upa n GLN 75 Ca 0.03 -3.45 -0.13 0.00 -1.94 0.00 0.00 57.00 51.52 1upa n GLN 75 Cb 0.41 1.62 -0.12 0.00 0.11 0.00 0.00 30.24 32.26 1upa n GLN 75 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1upa s ALA 76 N -3.03 -0.52 0.19 -1.58 0.00 -1.26 -0.21 121.76 115.35 1upa s ALA 76 Ca 0.15 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.80 1upa s ALA 76 Cb 0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 1upa s ALA 76 CO 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 175.76 175.75 1upa s TRP 78 N -3.58 -0.28 0.21 0.00 -0.11 0.40 -0.86 118.94 114.72 1upa s TRP 78 Ca 0.26 0.69 -0.06 0.00 1.22 0.00 0.00 56.10 58.20 1upa s TRP 78 Cb 0.06 0.07 -0.02 0.00 -1.50 0.00 0.00 33.47 32.08 1upa s TRP 78 CO 0.06 -0.17 0.27 0.00 -4.62 0.00 0.00 176.95 172.50 1upa s ALA 79 N 0.55 0.52 0.75 5.86 0.00 -0.49 -2.49 121.76 126.46 1upa s ALA 79 Ca -0.04 -1.31 -0.03 0.00 0.00 0.00 0.00 51.96 50.59 1upa s ALA 79 Cb -0.05 1.20 0.06 0.00 0.00 0.00 0.00 23.12 24.34 1upa s ALA 79 CO -0.03 -0.69 0.41 -2.37 0.00 0.00 0.00 175.76 173.08 1upa n THR 80 N -0.30 0.00 -1.47 0.00 5.66 -1.24 -1.95 114.28 114.99 1upa n THR 80 Ca -0.00 -0.45 -0.29 0.00 -3.05 0.00 0.00 64.05 60.25 1upa n THR 80 Cb 0.64 -1.51 0.12 0.00 -1.55 0.00 0.00 70.33 68.03 1upa n THR 80 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1upa s LEU 81 N 0.00 2.32 0.00 1.09 2.34 -1.20 -4.06 118.68 119.17 1upa s LEU 81 Ca 0.25 1.23 0.00 0.00 0.06 0.00 0.00 54.13 55.67 1upa s LEU 81 Cb -0.01 -3.71 0.00 0.00 -0.56 0.00 0.00 46.19 41.91 1upa s LEU 81 CO 0.17 -2.31 0.00 0.61 -1.06 0.00 0.00 176.35 173.76 1upa n GLY 82 N -1.90 3.20 0.27 -3.48 0.00 -1.05 -1.93 105.19 100.30 1upa n GLY 82 Ca 0.07 0.25 0.15 0.00 0.00 0.00 0.00 46.02 46.49 1upa n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1upa h PRO 83 N 0.00 0.00 0.00 1.61 0.13 -1.87 -2.50 132.00 129.37 1upa h PRO 83 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1upa h PRO 83 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1upa h PRO 83 CO 0.00 0.08 0.00 0.41 -0.23 0.00 0.00 178.00 178.26 1upa n GLY 84 N -0.33 0.00 0.07 1.56 0.00 -0.81 -1.84 105.19 103.83 1upa n GLY 84 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1upa n GLY 84 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1upa n THR 86 N -0.18 0.00 -0.15 2.61 -2.24 -0.94 -1.29 114.28 112.10 1upa n THR 86 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1upa n THR 86 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 1upa n THR 86 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1upa h ASN 87 N 0.00 0.64 -0.37 3.42 2.35 -1.66 -2.72 115.58 117.24 1upa h ASN 87 Ca 0.00 -0.23 0.05 0.00 -0.55 0.00 0.00 56.30 55.57 1upa h ASN 87 Cb 0.00 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1upa h ASN 87 CO 0.00 0.71 0.25 0.25 -1.65 0.00 0.00 177.43 176.99 1upa h LEU 88 N 0.55 0.26 -2.48 1.61 6.46 -1.44 -3.06 115.31 117.21 1upa h LEU 88 Ca 0.13 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.89 1upa h LEU 88 Cb 0.31 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1upa h LEU 88 CO 0.00 0.17 -0.02 0.77 -0.62 0.00 0.00 178.44 178.74 1upa h SER 89 N 0.30 0.00 0.42 1.25 4.64 -1.75 0.98 113.55 119.37 1upa h SER 89 Ca 0.16 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.31 1upa h SER 89 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1upa h SER 89 CO -0.03 0.02 -0.74 0.74 -0.87 0.00 0.00 176.83 175.95 1upa h THR 90 N 0.00 1.42 -0.60 2.95 2.02 -1.66 0.15 112.91 117.19 1upa h THR 90 Ca -0.00 -2.26 -0.07 0.00 0.77 0.00 0.00 66.41 64.85 1upa h THR 90 Cb 0.13 2.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.72 1upa h THR 90 CO 0.00 0.67 0.10 1.23 0.37 0.00 0.00 175.52 177.90 1upa h GLY 91 N 1.55 1.04 1.33 2.16 0.00 -1.05 -0.76 103.07 107.35 1upa h GLY 91 Ca -0.03 -0.66 -0.14 0.00 0.00 0.00 0.00 47.33 46.51 1upa h GLY 91 CO 0.12 0.61 -0.35 -2.22 0.00 0.00 0.00 176.54 174.70 1upa h ILE 92 N 0.92 1.28 -0.33 2.60 2.04 -0.80 -2.27 117.51 120.95 1upa h ILE 92 Ca 0.19 -1.51 -0.09 0.00 1.00 0.00 0.00 64.86 64.45 1upa h ILE 92 Cb 0.39 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1upa h ILE 92 CO 0.01 0.49 -0.17 0.00 0.00 0.00 0.00 178.15 178.48 1upa h ALA 93 N 0.98 1.09 -0.36 1.87 0.00 -0.53 -1.35 119.26 120.96 1upa h ALA 93 Ca 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1upa h ALA 93 Cb 0.89 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1upa h ALA 93 CO 0.08 0.56 0.24 1.15 0.00 0.00 0.00 179.25 181.28 1upa h THR 94 N 0.54 1.09 -0.26 0.00 2.02 -0.70 -2.33 112.91 113.26 1upa h THR 94 Ca 0.09 -0.17 -0.11 0.00 0.77 0.00 0.00 66.41 66.99 1upa h THR 94 Cb 0.60 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1upa h THR 94 CO 0.04 0.09 -0.32 -1.28 0.37 0.00 0.00 175.52 174.42 1upa h SER 95 N 0.49 0.56 -0.16 4.18 0.87 -1.11 0.34 113.55 118.71 1upa h SER 95 Ca 0.13 -0.22 -0.22 0.00 -1.23 0.00 0.00 61.79 60.26 1upa h SER 95 Cb -0.05 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 61.77 1upa h SER 95 CO -0.03 0.84 -0.74 1.62 -0.53 0.00 0.00 176.83 177.99 1upa h VAL 96 N 0.46 1.28 0.09 2.23 3.04 -1.06 0.39 116.25 122.69 1upa h VAL 96 Ca 0.06 -1.94 -0.29 0.00 -1.01 0.00 0.00 66.70 63.51 1upa h VAL 96 Cb 0.78 1.98 -0.01 0.00 -2.01 0.00 0.00 31.29 32.03 1upa h VAL 96 CO 0.06 0.62 -1.46 -0.07 -1.01 0.00 0.00 177.57 175.71 1upa h LEU 97 N 0.52 0.31 0.00 3.16 3.38 -1.42 -3.34 115.31 117.93 1upa h LEU 97 Ca -0.05 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1upa h LEU 97 Cb 1.38 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1upa h LEU 97 CO 0.15 1.35 -0.41 0.44 0.09 0.00 0.00 178.44 180.06 1upa h ASP 98 N 0.05 0.00 -3.58 -0.43 3.32 -0.41 -3.37 116.42 112.00 1upa h ASP 98 Ca -0.21 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1upa h ASP 98 Cb 1.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.53 1upa h ASP 98 CO 0.15 0.05 -0.18 0.54 -1.72 0.00 0.00 179.24 178.08 1upa n ARG 99 N -2.35 -0.74 -3.82 3.56 5.12 0.06 -4.92 116.66 113.57 1upa n ARG 99 Ca 0.04 1.00 -0.12 0.00 -1.93 0.00 0.00 57.85 56.83 1upa n ARG 99 Cb 0.46 -2.43 -0.11 0.00 -1.16 0.00 0.00 32.46 29.23 1upa n ARG 99 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1upa s SER 100 N -1.04 -0.13 -0.87 0.55 1.04 -0.78 -4.82 113.70 107.64 1upa s SER 100 Ca 0.04 0.15 -0.23 0.00 0.48 0.00 0.00 55.95 56.39 1upa s SER 100 Cb -0.01 0.34 0.07 0.00 0.10 0.00 0.00 66.02 66.52 1upa s SER 100 CO 0.20 -0.25 1.24 -2.16 0.98 0.00 0.00 173.24 173.26 1upa s PRO 101 N -0.67 3.42 -0.06 4.02 0.04 -1.26 -2.80 135.00 137.69 1upa s PRO 101 Ca -0.08 -1.05 0.05 0.00 0.04 0.00 0.00 61.00 59.96 1upa s PRO 101 Cb -0.04 -4.80 -0.02 0.00 0.04 0.00 0.00 34.50 29.68 1upa s PRO 101 CO 0.01 -2.01 -0.21 0.08 0.04 0.00 0.00 177.00 174.91 1upa s VAL 102 N 4.38 2.40 -0.40 -0.36 1.01 -1.22 -2.28 120.40 123.93 1upa s VAL 102 Ca 0.36 -0.95 -0.15 0.00 0.00 0.00 0.00 61.98 61.24 1upa s VAL 102 Cb -0.06 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.43 1upa s VAL 102 CO -0.01 0.57 0.30 -0.63 0.00 0.00 0.00 175.10 175.33 1upa s ILE 103 N -0.31 5.25 -0.19 2.22 -1.09 0.70 -1.09 121.20 126.69 1upa s ILE 103 Ca 0.01 -0.57 -0.14 0.00 -2.23 0.00 0.00 60.65 57.72 1upa s ILE 103 Cb -0.13 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 1upa s ILE 103 CO 0.02 -0.28 0.31 0.00 -1.23 0.00 0.00 174.94 173.76 1upa s ALA 104 N 1.72 3.58 -0.06 9.38 0.00 0.51 -1.59 121.76 135.30 1upa s ALA 104 Ca 0.06 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 51.50 1upa s ALA 104 Cb -0.19 -2.47 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 1upa s ALA 104 CO 0.10 -0.12 -0.22 -0.51 0.00 0.00 0.00 175.76 175.02 1upa s LEU 105 N 0.91 2.01 -0.02 0.00 1.43 -0.04 -1.42 118.68 121.55 1upa s LEU 105 Ca 0.16 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 1upa s LEU 105 Cb -0.14 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.84 1upa s LEU 105 CO 0.05 0.19 0.05 0.00 0.23 0.00 0.00 176.35 176.88 1upa s ALA 106 N 0.04 -0.13 0.92 4.21 0.00 -0.80 -1.39 121.76 124.61 1upa s ALA 106 Ca -0.07 0.14 -0.11 0.00 0.00 0.00 0.00 51.96 51.92 1upa s ALA 106 Cb -0.14 -0.08 0.15 0.00 0.00 0.00 0.00 23.12 23.04 1upa s ALA 106 CO 0.04 -0.03 1.10 0.00 0.00 0.00 0.00 175.76 176.87 1upa s ALA 107 N 0.02 1.32 0.07 0.00 0.00 -0.82 -0.49 121.76 121.86 1upa s ALA 107 Ca -0.00 0.17 -0.06 0.00 0.00 0.00 0.00 51.96 52.07 1upa s ALA 107 Cb -0.00 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 1upa s ALA 107 CO 0.00 -2.61 0.12 -1.14 0.00 0.00 0.00 175.76 172.13 1upa s GLN 108 N -4.77 0.76 0.56 0.00 2.00 -0.19 -3.26 119.66 114.76 1upa s GLN 108 Ca 0.65 -1.02 -0.19 0.00 -2.00 0.00 0.00 55.36 52.80 1upa s GLN 108 Cb -0.20 0.30 -0.08 0.00 0.80 0.00 0.00 33.01 33.82 1upa s GLN 108 CO 0.58 -0.22 0.66 0.43 -0.50 0.00 0.00 175.29 176.24 1upa n SER 109 N 0.03 -0.48 -4.46 6.67 7.64 -1.26 -1.55 113.62 120.21 1upa n SER 109 Ca -0.15 0.78 -0.49 0.00 1.01 0.00 0.00 58.87 60.02 1upa n SER 109 Cb 0.62 -1.23 -0.04 0.00 -1.01 0.00 0.00 64.21 62.55 1upa n SER 109 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1upa n GLU 110 N -0.21 0.30 -0.28 1.43 4.71 -1.26 -4.17 120.64 121.16 1upa n GLU 110 Ca 0.12 0.11 0.01 0.00 -0.01 0.00 0.00 57.16 57.38 1upa n GLU 110 Cb 0.46 -1.29 0.14 0.00 -1.01 0.00 0.00 31.44 29.74 1upa n GLU 110 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1upa h SER 111 N 1.69 0.72 0.32 1.62 4.64 -1.90 0.64 113.55 121.28 1upa h SER 111 Ca -0.35 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1upa h SER 111 Cb 1.42 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1upa h SER 111 CO 0.60 0.45 0.00 0.00 -0.87 0.00 0.00 176.83 177.01 1upa n HIS 112 N -4.70 0.00 -1.43 4.77 1.44 -1.26 -3.32 115.22 110.72 1upa n HIS 112 Ca 0.12 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.89 1upa n HIS 112 Cb 0.20 -0.31 0.11 0.00 0.12 0.00 0.00 29.99 30.11 1upa n HIS 112 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1upa n ASP 113 N -1.31 1.64 -4.50 4.39 2.03 0.21 -4.98 116.55 114.02 1upa n ASP 113 Ca 0.07 -2.87 -0.42 0.00 0.52 0.00 0.00 54.79 52.09 1upa n ASP 113 Cb 0.13 -0.38 -0.03 0.00 -0.72 0.00 0.00 41.12 40.12 1upa n ASP 113 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1upa s ILE 114 N -2.09 4.02 -0.43 5.18 1.01 -1.15 -4.77 121.20 122.97 1upa s ILE 114 Ca 0.25 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.97 1upa s ILE 114 Cb 0.23 -4.80 0.14 0.00 0.01 0.00 0.00 42.46 38.03 1upa s ILE 114 CO 0.00 -1.65 0.23 -0.36 0.00 0.00 0.00 174.94 173.16 1upa s PHE 115 N 4.91 1.86 0.24 3.97 0.08 -1.26 -5.05 117.98 122.73 1upa s PHE 115 Ca 0.29 -2.34 -0.31 0.00 0.12 0.00 0.00 56.93 54.69 1upa s PHE 115 Cb -0.12 -1.80 -0.13 0.00 -0.57 0.00 0.00 43.02 40.40 1upa s PHE 115 CO 0.13 -0.79 1.45 -2.30 -0.10 0.00 0.00 175.22 173.61 1upa n PRO 116 N 3.62 2.14 -1.01 0.24 -0.02 -1.26 -0.97 135.00 137.74 1upa n PRO 116 Ca 0.09 0.76 -0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1upa n PRO 116 Cb 0.35 -2.45 -0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1upa n PRO 116 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1upa n ASN 117 N 2.28 -4.57 0.00 2.55 3.02 0.59 -4.75 115.26 114.38 1upa n ASN 117 Ca 0.12 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1upa n ASN 117 Cb 0.32 -2.10 0.00 0.00 -0.61 0.00 0.00 39.78 37.39 1upa n ASN 117 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1upa n ASP 118 N -0.50 0.12 -4.75 6.41 8.00 -0.54 -5.04 116.55 120.25 1upa n ASP 118 Ca -0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 1upa n ASP 118 Cb 0.27 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.34 1upa n ASP 118 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1upa s THR 119 N -1.97 2.75 -0.23 -3.53 2.01 -0.14 -4.92 115.64 109.61 1upa s THR 119 Ca 0.00 0.67 -0.40 0.00 0.31 0.00 0.00 61.69 62.27 1upa s THR 119 Cb 0.00 -3.43 -0.16 0.00 0.01 0.00 0.00 72.50 68.92 1upa s THR 119 CO 0.00 0.13 1.67 1.57 -0.69 0.00 0.00 174.62 177.29 1upa n HIS 120 N 1.78 1.94 -1.32 4.92 -0.00 -1.26 -1.27 115.22 120.01 1upa n HIS 120 Ca 0.04 0.59 -0.11 0.00 0.46 0.00 0.00 57.72 58.70 1upa n HIS 120 Cb 0.41 -2.42 -0.05 0.00 -0.12 0.00 0.00 29.99 27.81 1upa n HIS 120 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1upa n GLN 121 N 4.82 -1.04 -3.55 1.57 6.02 -1.26 -4.97 117.38 118.97 1upa n GLN 121 Ca 0.25 0.85 -0.40 0.00 -0.01 0.00 0.00 57.00 57.69 1upa n GLN 121 Cb 0.13 -4.91 -0.11 0.00 1.02 0.00 0.00 30.24 26.37 1upa n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1upa s LEU 123 N 1.67 2.90 -1.32 0.00 1.43 -1.26 -0.30 118.68 121.81 1upa s LEU 123 Ca 0.05 -0.79 -0.18 0.00 -1.03 0.00 0.00 54.13 52.18 1upa s LEU 123 Cb -0.18 -1.45 0.05 0.00 0.03 0.00 0.00 46.19 44.64 1upa s LEU 123 CO 0.09 0.03 1.84 -0.67 0.23 0.00 0.00 176.35 177.87 1upa n ASP 124 N -0.62 4.62 -0.20 2.29 -0.08 -1.26 -4.82 116.55 116.48 1upa n ASP 124 Ca -0.07 -2.89 -0.03 0.00 -1.51 0.00 0.00 54.79 50.29 1upa n ASP 124 Cb 0.59 -1.73 0.07 0.00 2.34 0.00 0.00 41.12 42.40 1upa n ASP 124 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1upa h SER 125 N 7.41 0.47 -0.71 1.67 0.02 -1.98 -1.54 113.55 118.90 1upa h SER 125 Ca 0.46 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.41 1upa h SER 125 Cb 0.83 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.27 1upa h SER 125 CO 1.53 0.32 0.36 0.58 -1.14 0.00 0.00 176.83 178.47 1upa h VAL 126 N 0.61 1.23 -0.42 2.27 2.07 -1.92 -1.41 116.25 118.68 1upa h VAL 126 Ca 0.26 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 67.07 1upa h VAL 126 Cb 0.14 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1upa h VAL 126 CO -0.16 0.26 -0.12 0.00 0.02 0.00 0.00 177.57 177.57 1upa h ALA 127 N 1.18 1.01 -0.18 1.67 0.00 -1.83 -1.09 119.26 120.01 1upa h ALA 127 Ca 0.25 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1upa h ALA 127 Cb 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1upa h ALA 127 CO -0.03 0.60 -0.41 0.82 0.00 0.00 0.00 179.25 180.22 1upa h ILE 128 N 0.68 1.33 0.00 0.00 2.04 -0.90 -3.34 117.51 117.32 1upa h ILE 128 Ca 0.11 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.32 1upa h ILE 128 Cb 0.59 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1upa h ILE 128 CO 0.04 0.51 -0.81 0.58 0.00 0.00 0.00 178.15 178.46 1upa h VAL 129 N 0.26 0.00 -0.73 1.67 2.07 -1.25 -3.38 116.25 114.89 1upa h VAL 129 Ca 0.00 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 1upa h VAL 129 Cb 1.02 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 1upa h VAL 129 CO 0.09 0.00 0.36 0.00 0.02 0.00 0.00 177.57 178.04 1upa h ALA 130 N 2.03 1.27 0.00 1.67 0.00 -1.32 -3.00 119.26 119.91 1upa h ALA 130 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1upa h ALA 130 Cb 0.98 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1upa h ALA 130 CO 0.00 0.57 0.00 -2.30 0.00 0.00 0.00 179.25 177.52 1upa n PRO 131 N -4.34 0.25 -0.60 0.00 -0.02 -1.26 -4.79 135.00 124.25 1upa n PRO 131 Ca 0.07 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.57 1upa n PRO 131 Cb 0.13 -1.37 -0.01 0.00 -0.02 0.00 0.00 33.50 32.22 1upa n PRO 131 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1upa n SER 133 N 1.13 -0.85 0.14 2.55 3.41 -1.14 -5.19 113.62 113.68 1upa n SER 133 Ca 0.00 0.13 0.04 0.00 -0.26 0.00 0.00 58.87 58.78 1upa n SER 133 Cb 0.13 -1.84 0.04 0.00 -0.26 0.00 0.00 64.21 62.27 1upa n SER 133 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1upa h LYS 134 N -1.04 0.00 -1.87 4.33 1.79 -1.21 -3.47 116.57 115.10 1upa h LYS 134 Ca -0.01 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1upa h LYS 134 Cb 0.60 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.02 1upa h LYS 134 CO 0.01 0.36 0.24 -0.47 -1.08 0.00 0.00 179.45 178.50 1upa s TYR 135 N -3.02 -0.68 -0.22 -1.35 5.04 -1.26 -4.92 117.35 110.94 1upa s TYR 135 Ca 0.04 1.66 -0.10 0.00 -2.44 0.00 0.00 57.07 56.23 1upa s TYR 135 Cb 0.07 0.30 0.09 0.00 0.35 0.00 0.00 41.96 42.77 1upa s TYR 135 CO 0.74 -0.33 0.51 0.00 -1.34 0.00 0.00 175.55 175.13 1upa s ALA 136 N 0.31 -1.43 0.04 3.97 0.00 -1.26 -0.61 121.76 122.78 1upa s ALA 136 Ca 0.01 1.85 -0.16 0.00 0.00 0.00 0.00 51.96 53.66 1upa s ALA 136 Cb -0.05 -1.32 0.03 0.00 0.00 0.00 0.00 23.12 21.78 1upa s ALA 136 CO -0.01 -0.58 0.35 0.54 0.00 0.00 0.00 175.76 176.06 1upa s VAL 137 N 2.13 0.07 -0.15 0.00 0.11 -0.81 -4.99 120.40 116.77 1upa s VAL 137 Ca -0.06 -0.58 -0.03 0.00 -2.93 0.00 0.00 61.98 58.37 1upa s VAL 137 Cb -0.10 -0.94 -0.03 0.00 -1.53 0.00 0.00 36.38 33.79 1upa s VAL 137 CO -0.15 -0.32 -0.03 -0.70 -3.33 0.00 0.00 175.10 170.56 1upa s GLU 138 N -2.50 3.58 0.27 1.54 2.12 -1.26 -0.41 118.70 122.04 1upa s GLU 138 Ca -0.05 -0.51 -0.30 0.00 0.36 0.00 0.00 54.97 54.47 1upa s GLU 138 Cb -0.01 -2.89 -0.11 0.00 0.26 0.00 0.00 34.13 31.38 1upa s GLU 138 CO -0.03 0.30 1.52 -1.17 -0.54 0.00 0.00 175.26 175.34 1upa s LEU 139 N 0.20 4.36 0.00 2.70 2.96 0.02 -4.93 118.68 124.00 1upa s LEU 139 Ca -0.02 2.81 0.00 0.00 -0.22 0.00 0.00 54.13 56.70 1upa s LEU 139 Cb -0.14 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1upa s LEU 139 CO 0.03 -0.81 0.00 0.00 -1.32 0.00 0.00 176.35 174.25 1upa n GLN 140 N 2.21 0.90 -3.94 1.98 6.02 -1.26 -4.62 117.38 118.67 1upa n GLN 140 Ca 0.07 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.78 1upa n GLN 140 Cb 0.39 -0.88 -0.16 0.00 1.02 0.00 0.00 30.24 30.60 1upa n GLN 140 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1upa s ARG 141 N -1.77 1.78 0.29 -1.09 0.52 -1.26 -5.06 118.95 112.36 1upa s ARG 141 Ca 0.00 -0.54 -0.01 0.00 -0.52 0.00 0.00 55.73 54.67 1upa s ARG 141 Cb 0.00 -2.02 0.66 0.00 0.52 0.00 0.00 34.95 34.11 1upa s ARG 141 CO 0.00 -0.35 1.60 -1.35 0.02 0.00 0.00 175.30 175.22 1upa h PRO 142 N 8.09 0.06 0.00 3.54 0.11 -1.84 -1.33 132.00 140.62 1upa h PRO 142 Ca -0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1upa h PRO 142 Cb 1.12 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1upa h PRO 142 CO 0.45 0.04 0.00 1.12 -0.21 0.00 0.00 178.00 179.40 1upa h HIS 143 N 0.06 0.00 0.00 0.65 2.07 -1.84 -2.67 115.15 113.42 1upa h HIS 143 Ca 0.54 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.06 1upa h HIS 143 Cb 1.08 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.06 1upa h HIS 143 CO -0.45 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 174.80 1upa n GLU 144 N -2.72 0.06 -0.03 5.12 1.02 -0.50 -3.48 120.64 120.10 1upa n GLU 144 Ca 0.01 0.17 0.18 0.00 -0.02 0.00 0.00 57.16 57.50 1upa n GLU 144 Cb 0.25 -1.50 0.64 0.00 -0.02 0.00 0.00 31.44 30.81 1upa n GLU 144 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1upa h ILE 145 N 0.00 0.76 0.05 -3.67 6.09 -1.64 -1.33 117.51 117.78 1upa h ILE 145 Ca 0.00 -0.04 -0.00 0.00 -1.37 0.00 0.00 64.86 63.45 1upa h ILE 145 Cb 0.29 0.65 0.00 0.00 0.47 0.00 0.00 36.82 38.23 1upa h ILE 145 CO 0.00 0.02 -0.03 0.74 -3.07 0.00 0.00 178.15 175.81 1upa h THR 146 N 0.10 1.05 0.00 2.19 2.02 -1.84 -1.60 112.91 114.84 1upa h THR 146 Ca 0.27 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 1upa h THR 146 Cb 0.92 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1upa h THR 146 CO -0.03 0.09 -0.26 -2.24 0.37 0.00 0.00 175.52 173.45 1upa h ASP 147 N -0.22 0.00 -0.15 4.18 3.04 -1.58 -2.37 116.42 119.32 1upa h ASP 147 Ca -0.01 0.00 -0.21 0.00 -3.24 0.00 0.00 57.03 53.58 1upa h ASP 147 Cb 0.20 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.49 1upa h ASP 147 CO 0.01 0.26 -0.70 -0.07 -2.04 0.00 0.00 179.24 176.71 1upa h LEU 148 N 0.00 0.90 -0.76 0.15 3.38 -1.13 -1.68 115.31 116.16 1upa h LEU 148 Ca -0.00 -0.55 -0.04 0.00 0.09 0.00 0.00 57.88 57.37 1upa h LEU 148 Cb 0.85 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1upa h LEU 148 CO 0.03 1.35 0.31 0.58 0.09 0.00 0.00 178.44 180.80 1upa h VAL 149 N 0.55 1.26 -0.20 1.22 2.07 -1.20 0.05 116.25 120.00 1upa h VAL 149 Ca -0.03 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1upa h VAL 149 Cb 1.31 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1upa h VAL 149 CO 0.14 0.33 0.08 0.44 0.02 0.00 0.00 177.57 178.58 1upa h ASP 150 N 1.10 0.28 0.24 0.57 3.32 -1.31 -0.35 116.42 120.28 1upa h ASP 150 Ca 0.26 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 1upa h ASP 150 Cb 0.21 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1upa h ASP 150 CO -0.02 0.36 -0.34 0.28 -1.72 0.00 0.00 179.24 177.80 1upa h SER 151 N 0.18 0.15 -0.26 6.45 0.02 -1.19 -0.35 113.55 118.55 1upa h SER 151 Ca 0.07 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 1upa h SER 151 Cb 0.17 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1upa h SER 151 CO -0.01 0.49 -0.01 0.00 -1.14 0.00 0.00 176.83 176.16 1upa h ALA 152 N 1.53 0.36 -0.70 3.77 0.00 -0.72 -2.15 119.26 121.34 1upa h ALA 152 Ca 0.02 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1upa h ALA 152 Cb 0.67 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1upa h ALA 152 CO 0.05 0.11 0.26 0.28 0.00 0.00 0.00 179.25 179.94 1upa h VAL 153 N 0.25 1.25 -0.36 0.00 2.07 -0.75 -0.81 116.25 117.89 1upa h VAL 153 Ca 0.07 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.83 1upa h VAL 153 Cb 0.44 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1upa h VAL 153 CO 0.02 0.32 0.10 0.78 0.02 0.00 0.00 177.57 178.81 1upa h ASN 154 N 1.01 0.07 -0.03 0.57 2.35 -0.93 -2.74 115.58 115.88 1upa h ASN 154 Ca 0.23 0.05 -0.19 0.00 -0.55 0.00 0.00 56.30 55.84 1upa h ASN 154 Cb 0.24 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1upa h ASN 154 CO -0.01 0.07 -0.66 0.00 -1.65 0.00 0.00 177.43 175.17 1upa h ALA 155 N 1.25 0.51 0.00 -0.83 0.00 -1.30 -3.07 119.26 115.83 1upa h ALA 155 Ca 0.17 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1upa h ALA 155 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1upa h ALA 155 CO -0.20 0.70 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1upa n ALA 156 N -2.55 1.67 -1.36 0.00 0.00 -0.32 -4.66 120.51 113.29 1upa n ALA 156 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1upa n ALA 156 Cb 0.68 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1upa n ALA 156 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1upa n THR 158 N 0.91 0.00 -2.12 0.00 -1.04 -1.16 -2.22 114.28 108.65 1upa n THR 158 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 1upa n THR 158 Cb 0.09 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.59 1upa n THR 158 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1upa s GLU 159 N -1.03 4.09 -0.02 -2.82 0.41 0.31 -2.87 118.70 116.77 1upa s GLU 159 Ca 0.00 2.11 -0.30 0.00 -0.41 0.00 0.00 54.97 56.37 1upa s GLU 159 Cb 0.00 -2.83 -0.05 0.00 -1.78 0.00 0.00 34.13 29.47 1upa s GLU 159 CO 0.00 -0.37 1.33 -1.25 -0.49 0.00 0.00 175.26 174.48 1upa s PRO 160 N -2.12 4.31 0.72 0.39 0.04 -1.26 -4.85 135.00 132.23 1upa s PRO 160 Ca 0.55 1.86 -0.15 0.00 0.04 0.00 0.00 61.00 63.29 1upa s PRO 160 Cb -0.37 -3.56 0.03 0.00 0.04 0.00 0.00 34.50 30.64 1upa s PRO 160 CO 0.48 -0.52 1.21 0.14 0.04 0.00 0.00 177.00 178.34 1upa s VAL 161 N 2.30 2.34 -0.00 -0.36 -7.23 -1.14 -4.97 120.40 111.34 1upa s VAL 161 Ca 0.61 0.17 -0.25 0.00 -1.81 0.00 0.00 61.98 60.69 1upa s VAL 161 Cb -0.29 -2.75 0.08 0.00 0.56 0.00 0.00 36.38 33.98 1upa s VAL 161 CO 0.25 -0.09 1.16 0.61 -0.31 0.00 0.00 175.10 176.72 1upa n GLY 162 N 0.38 0.29 3.83 2.32 0.00 -0.94 -3.49 105.19 107.58 1upa n GLY 162 Ca 0.13 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 1upa n GLY 162 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1upa s PRO 163 N -2.02 4.13 0.06 1.61 0.04 -1.21 -3.38 135.00 134.25 1upa s PRO 163 Ca 0.27 0.81 0.10 0.00 0.04 0.00 0.00 61.00 62.22 1upa s PRO 163 Cb -0.01 -2.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.94 1upa s PRO 163 CO -0.00 0.22 -0.26 -1.12 0.04 0.00 0.00 177.00 175.87 1upa s SER 164 N -2.04 3.19 -0.06 6.66 0.01 -0.25 -0.68 113.70 120.54 1upa s SER 164 Ca 0.51 -0.63 0.05 0.00 1.31 0.00 0.00 55.95 57.20 1upa s SER 164 Cb -0.12 -0.27 -0.01 0.00 0.21 0.00 0.00 66.02 65.83 1upa s SER 164 CO 0.18 0.24 -0.22 0.12 0.41 0.00 0.00 173.24 173.97 1upa s PHE 165 N -0.86 2.18 -0.11 2.43 5.36 0.22 -0.36 117.98 126.83 1upa s PHE 165 Ca 0.12 -0.66 0.01 0.00 -0.96 0.00 0.00 56.93 55.44 1upa s PHE 165 Cb -0.10 -1.44 0.02 0.00 -0.34 0.00 0.00 43.02 41.15 1upa s PHE 165 CO 0.03 -0.22 -0.14 0.42 -1.46 0.00 0.00 175.22 173.86 1upa s ILE 166 N -0.04 1.42 -0.02 3.12 1.01 -0.51 -1.92 121.20 124.25 1upa s ILE 166 Ca -0.05 -0.57 -0.18 0.00 0.00 0.00 0.00 60.65 59.85 1upa s ILE 166 Cb -0.13 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 40.96 1upa s ILE 166 CO 0.04 0.43 0.49 -0.55 0.00 0.00 0.00 174.94 175.35 1upa s SER 167 N 1.18 6.86 -0.41 3.58 0.15 0.45 -1.90 113.70 123.62 1upa s SER 167 Ca -0.03 1.02 0.02 0.00 0.70 0.00 0.00 55.95 57.66 1upa s SER 167 Cb -0.14 -2.30 0.13 0.00 -1.71 0.00 0.00 66.02 61.99 1upa s SER 167 CO -0.04 0.19 0.20 -0.76 1.20 0.00 0.00 173.24 174.03 1upa s LEU 168 N -0.48 2.63 0.20 3.45 1.43 0.36 -0.80 118.68 125.48 1upa s LEU 168 Ca 0.27 -2.39 -0.32 0.00 -1.03 0.00 0.00 54.13 50.65 1upa s LEU 168 Cb -0.17 -1.01 -0.13 0.00 0.03 0.00 0.00 46.19 44.91 1upa s LEU 168 CO 0.14 -0.30 1.51 -2.65 0.23 0.00 0.00 176.35 175.28 1upa n PRO 169 N 3.85 2.14 -0.33 1.29 -0.02 -1.26 -1.02 135.00 139.66 1upa n PRO 169 Ca 0.06 0.77 0.03 0.00 -2.02 0.00 0.00 63.50 62.34 1upa n PRO 169 Cb 0.36 -2.49 0.21 0.00 -0.02 0.00 0.00 33.50 31.56 1upa n PRO 169 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1upa h VAL 170 N 3.35 1.09 -0.66 -1.45 2.07 -1.44 -1.05 116.25 118.16 1upa h VAL 170 Ca -0.45 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 66.62 1upa h VAL 170 Cb 1.26 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1upa h VAL 170 CO 0.83 0.20 0.15 -2.24 0.02 0.00 0.00 177.57 176.53 1upa h ASP 171 N 1.10 1.01 0.38 0.57 2.03 -1.88 -2.40 116.42 117.23 1upa h ASP 171 Ca 0.40 -0.24 -0.20 0.00 -0.73 0.00 0.00 57.03 56.26 1upa h ASP 171 Cb 0.15 -0.27 -0.00 0.00 -0.83 0.00 0.00 39.33 38.38 1upa h ASP 171 CO -0.15 0.99 -0.83 -0.07 -1.03 0.00 0.00 179.24 178.15 1upa h LEU 172 N 0.98 0.42 -1.51 0.15 3.38 -1.76 -2.85 115.31 114.12 1upa h LEU 172 Ca 0.21 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1upa h LEU 172 Cb 0.38 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1upa h LEU 172 CO 0.00 1.08 0.25 0.25 0.09 0.00 0.00 178.44 180.11 1upa h LEU 173 N 0.21 0.51 -1.82 1.67 5.85 -1.14 -2.68 115.31 117.90 1upa h LEU 173 Ca -0.05 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1upa h LEU 173 Cb 1.43 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1upa h LEU 173 CO 0.14 0.40 0.00 0.61 -0.34 0.00 0.00 178.44 179.25 1upa n GLY 174 N -1.38 1.32 3.89 3.75 0.00 -0.91 -1.63 105.19 110.23 1upa n GLY 174 Ca 0.03 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 1upa n GLY 174 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1upa s SER 175 N -1.00 6.35 0.00 1.61 0.15 -1.01 -4.83 113.70 114.97 1upa s SER 175 Ca 0.33 0.38 0.20 0.00 0.70 0.00 0.00 55.95 57.56 1upa s SER 175 Cb 0.17 -2.01 0.27 0.00 -1.71 0.00 0.00 66.02 62.74 1upa s SER 175 CO 0.23 0.32 1.23 -1.54 1.20 0.00 0.00 173.24 174.67 1upa n SER 176 N 1.32 2.96 -4.63 5.45 3.41 -1.26 -0.93 113.62 119.93 1upa n SER 176 Ca -0.14 -1.88 -0.44 0.00 -0.26 0.00 0.00 58.87 56.15 1upa n SER 176 Cb 0.53 -0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 1upa n SER 176 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1upa n GLU 177 N 1.18 2.38 -0.94 4.33 4.71 -1.26 -1.61 120.64 129.43 1upa n GLU 177 Ca 0.14 0.81 0.00 0.00 -0.01 0.00 0.00 57.16 58.10 1upa n GLU 177 Cb 0.52 -2.99 0.00 0.00 -1.01 0.00 0.00 31.44 27.95 1upa n GLU 177 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1upa n GLY 178 N 5.02 0.74 3.59 0.62 0.00 -1.26 -4.05 105.19 109.85 1upa n GLY 178 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 1upa n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1upa s ILE 179 N -2.91 5.15 0.26 -0.61 1.01 -0.63 -4.69 121.20 118.78 1upa s ILE 179 Ca 0.00 0.46 0.11 0.00 0.00 0.00 0.00 60.65 61.22 1upa s ILE 179 Cb 0.00 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 1upa s ILE 179 CO 0.00 0.07 -0.14 -1.81 0.00 0.00 0.00 174.94 173.07 1upa s ASP 180 N 1.67 3.92 -0.46 3.58 1.11 -1.26 -5.02 116.67 120.20 1upa s ASP 180 Ca 0.15 -0.86 -0.27 0.00 0.18 0.00 0.00 52.55 51.74 1upa s ASP 180 Cb -0.16 -0.49 -0.02 0.00 1.07 0.00 0.00 42.92 43.31 1upa s ASP 180 CO 0.11 0.04 1.88 -0.89 1.18 0.00 0.00 175.17 177.48 1upa s THR 181 N -2.31 3.38 -0.37 -1.27 2.01 -1.26 -5.05 115.64 110.77 1upa s THR 181 Ca 0.29 0.33 0.03 0.00 0.31 0.00 0.00 61.69 62.65 1upa s THR 181 Cb -0.06 -3.71 0.19 0.00 0.01 0.00 0.00 72.50 68.93 1upa s THR 181 CO 0.16 -0.58 0.73 -2.16 -0.69 0.00 0.00 174.62 172.08 1upa s PRO 184 N 6.45 0.61 0.38 4.92 0.04 -1.26 -5.26 135.00 140.88 1upa s PRO 184 Ca 0.76 -0.06 -0.28 0.00 0.04 0.00 0.00 61.00 61.46 1upa s PRO 184 Cb -0.18 0.11 -0.10 0.00 0.04 0.00 0.00 34.50 34.36 1upa s PRO 184 CO 0.28 -0.92 1.45 -0.80 0.04 0.00 0.00 177.00 177.04 1upa s ASN 185 N 2.10 6.34 0.96 6.66 0.01 -1.26 -5.01 114.94 124.75 1upa s ASN 185 Ca 0.15 2.97 -0.12 0.00 -0.71 0.00 0.00 52.86 55.16 1upa s ASN 185 Cb -0.03 -2.66 0.16 0.00 0.41 0.00 0.00 41.25 39.13 1upa s ASN 185 CO -0.13 -0.86 1.09 -2.16 -1.51 0.00 0.00 177.10 173.53 1upa s PRO 186 N -2.10 0.75 0.35 -0.60 0.04 -1.26 -4.94 135.00 127.23 1upa s PRO 186 Ca 0.53 0.96 -0.28 0.00 0.04 0.00 0.00 61.00 62.25 1upa s PRO 186 Cb -0.45 -1.74 -0.12 0.00 0.04 0.00 0.00 34.50 32.23 1upa s PRO 186 CO 0.60 -2.63 1.29 -2.30 0.04 0.00 0.00 177.00 174.00 1upa n PRO 187 N -4.17 2.11 -0.22 0.56 -0.02 -1.26 -4.92 135.00 127.09 1upa n PRO 187 Ca 0.07 0.74 -0.08 0.00 -2.02 0.00 0.00 63.50 62.21 1upa n PRO 187 Cb 0.54 -2.33 0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1upa n PRO 187 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1upa h ALA 188 N 2.51 0.80 -5.47 3.55 0.00 -1.92 -3.47 119.26 115.25 1upa h ALA 188 Ca -0.46 -0.22 -0.41 0.00 0.00 0.00 0.00 54.91 53.82 1upa h ALA 188 Cb 1.28 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1upa h ALA 188 CO 0.62 0.49 -0.63 0.09 0.00 0.00 0.00 179.25 179.82 1upa n ASN 189 N -4.37 -4.71 -4.69 0.00 3.02 -1.26 -4.93 115.26 98.32 1upa n ASN 189 Ca 0.03 -0.48 -0.44 0.00 -0.03 0.00 0.00 54.58 53.66 1upa n ASN 189 Cb 0.22 -3.82 -0.04 0.00 -0.61 0.00 0.00 39.78 35.54 1upa n ASN 189 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1upa n THR 190 N -4.33 0.19 -1.69 3.41 -1.04 -1.26 -4.91 114.28 104.65 1upa n THR 190 Ca -0.02 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.05 61.53 1upa n THR 190 Cb 0.56 -1.85 -0.01 0.00 -1.82 0.00 0.00 70.33 67.20 1upa n THR 190 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1upa n PRO 191 N 4.65 2.06 -0.15 -2.82 -0.02 -1.26 -4.90 135.00 132.56 1upa n PRO 191 Ca 0.18 0.72 -0.04 0.00 -2.02 0.00 0.00 63.50 62.34 1upa n PRO 191 Cb 0.33 -2.30 0.15 0.00 -0.02 0.00 0.00 33.50 31.65 1upa n PRO 191 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1upa h ALA 192 N 2.76 1.11 -2.75 3.55 0.00 -1.98 -3.45 119.26 118.50 1upa h ALA 192 Ca -0.45 -0.24 -0.24 0.00 0.00 0.00 0.00 54.91 53.98 1upa h ALA 192 Cb 1.29 -0.22 -0.12 0.00 0.00 0.00 0.00 17.79 18.73 1upa h ALA 192 CO 0.64 0.58 -0.41 -1.59 0.00 0.00 0.00 179.25 178.48 1upa s LYS 193 N -5.15 1.49 0.24 0.00 -2.85 -1.26 -5.04 119.74 107.17 1upa s LYS 193 Ca -0.10 -1.62 -0.32 0.00 -1.00 0.00 0.00 55.97 52.93 1upa s LYS 193 Cb 0.15 0.36 -0.13 0.00 -2.06 0.00 0.00 37.83 36.15 1upa s LYS 193 CO 0.82 -0.56 1.58 -2.30 0.10 0.00 0.00 175.35 174.98 1upa n PRO 194 N -0.40 2.46 -2.12 1.78 -0.02 -1.26 -4.95 135.00 130.49 1upa n PRO 194 Ca 0.02 0.88 -0.39 0.00 -2.02 0.00 0.00 63.50 61.99 1upa n PRO 194 Cb 0.64 -2.64 -0.01 0.00 -0.02 0.00 0.00 33.50 31.47 1upa n PRO 194 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1upa s VAL 195 N 0.43 2.76 0.39 -1.45 1.01 -1.26 -4.83 120.40 117.44 1upa s VAL 195 Ca 0.70 0.66 0.05 0.00 0.00 0.00 0.00 61.98 63.39 1upa s VAL 195 Cb -0.57 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1upa s VAL 195 CO 0.43 0.08 0.19 -0.83 0.00 0.00 0.00 175.10 174.97 1upa s GLY 196 N -0.87 2.55 0.15 4.51 0.00 -1.26 -0.53 107.32 111.87 1upa s GLY 196 Ca 0.58 -1.49 0.02 0.00 0.00 0.00 0.00 44.72 43.82 1upa s GLY 196 CO 0.46 -1.70 0.30 -1.34 0.00 0.00 0.00 173.10 170.81 1upa s VAL 197 N -3.29 5.31 -0.11 1.40 -7.23 -0.47 -4.99 120.40 111.03 1upa s VAL 197 Ca 0.29 -0.58 -0.03 0.00 -1.81 0.00 0.00 61.98 59.84 1upa s VAL 197 Cb 0.02 -3.73 0.05 0.00 0.56 0.00 0.00 36.38 33.28 1upa s VAL 197 CO 0.19 -0.08 0.10 -0.69 -0.31 0.00 0.00 175.10 174.31 1upa s VAL 198 N -1.74 -0.14 0.24 1.32 1.01 -1.26 -3.57 120.40 116.26 1upa s VAL 198 Ca 0.35 0.17 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 1upa s VAL 198 Cb -0.11 -0.36 -0.09 0.00 0.00 0.00 0.00 36.38 35.81 1upa s VAL 198 CO 0.28 -0.02 1.13 0.00 0.00 0.00 0.00 175.10 176.50 1upa s ALA 199 N 2.19 3.41 0.21 5.51 0.00 -0.10 -4.98 121.76 128.00 1upa s ALA 199 Ca 0.04 0.91 -0.32 0.00 0.00 0.00 0.00 51.96 52.59 1upa s ALA 199 Cb -0.14 -3.36 -0.13 0.00 0.00 0.00 0.00 23.12 19.50 1upa s ALA 199 CO -0.06 -0.24 1.62 -3.47 0.00 0.00 0.00 175.76 173.61 1upa n ASP 200 N 1.67 3.53 0.00 0.00 2.03 -1.26 -2.53 116.55 120.00 1upa n ASP 200 Ca 0.01 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.41 1upa n ASP 200 Cb 0.45 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 1upa n ASP 200 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1upa n GLY 201 N 3.33 0.65 0.19 0.27 0.00 -1.26 -4.96 105.19 103.41 1upa n GLY 201 Ca 0.15 -0.27 0.03 0.00 0.00 0.00 0.00 46.02 45.93 1upa n GLY 201 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1upa h TRP 202 N 0.00 0.00 -0.35 1.61 5.08 -1.81 -2.24 115.95 118.24 1upa h TRP 202 Ca 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.93 1upa h TRP 202 Cb 0.00 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.15 1upa h TRP 202 CO 0.00 0.37 0.08 1.96 -1.28 0.00 0.00 178.44 179.57 1upa h GLN 203 N 0.00 0.57 -0.65 0.12 7.50 -1.93 0.19 115.11 120.91 1upa h GLN 203 Ca -0.00 -0.14 0.00 0.00 0.50 0.00 0.00 58.65 59.01 1upa h GLN 203 Cb 0.68 -0.07 -0.03 0.00 0.05 0.00 0.00 27.48 28.11 1upa h GLN 203 CO 0.05 0.62 0.42 -0.22 -1.50 0.00 0.00 178.83 178.21 1upa h LYS 204 N 0.41 0.86 -0.77 1.46 3.64 -1.93 0.38 116.57 120.63 1upa h LYS 204 Ca 0.11 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1upa h LYS 204 Cb 0.32 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 1upa h LYS 204 CO 0.00 0.58 0.45 0.00 -2.27 0.00 0.00 179.45 178.22 1upa h ALA 205 N 1.23 0.98 -0.70 5.00 0.00 -1.04 -1.21 119.26 123.52 1upa h ALA 205 Ca 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1upa h ALA 205 Cb -0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 1upa h ALA 205 CO -0.05 0.46 0.33 0.00 0.00 0.00 0.00 179.25 179.99 1upa h ALA 206 N 1.24 1.27 -0.43 0.00 0.00 -0.07 -1.56 119.26 119.71 1upa h ALA 206 Ca 0.27 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1upa h ALA 206 Cb -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1upa h ALA 206 CO -0.05 0.56 -0.11 -0.44 0.00 0.00 0.00 179.25 179.21 1upa h ASP 207 N 0.99 0.76 -0.52 0.00 3.32 -0.38 -1.07 116.42 119.53 1upa h ASP 207 Ca 0.24 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 1upa h ASP 207 Cb 0.11 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1upa h ASP 207 CO -0.03 0.89 0.12 1.56 -1.72 0.00 0.00 179.24 180.06 1upa h GLN 208 N 0.70 0.89 -0.73 3.56 4.20 -0.97 -1.39 115.11 121.38 1upa h GLN 208 Ca 0.12 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 1upa h GLN 208 Cb 0.59 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1upa h GLN 208 CO 0.04 0.81 0.24 0.00 -0.67 0.00 0.00 178.83 179.25 1upa h ALA 209 N 1.28 0.96 -0.59 3.87 0.00 -0.69 -2.03 119.26 122.05 1upa h ALA 209 Ca 0.18 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1upa h ALA 209 Cb 0.34 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1upa h ALA 209 CO 0.00 0.63 0.26 0.00 0.00 0.00 0.00 179.25 180.14 1upa h ALA 210 N 1.12 1.35 -0.05 0.00 0.00 -0.94 -1.17 119.26 119.56 1upa h ALA 210 Ca 0.24 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1upa h ALA 210 Cb 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1upa h ALA 210 CO -0.01 0.50 -0.68 0.00 0.00 0.00 0.00 179.25 179.05 1upa h ALA 211 N 1.45 0.75 -0.52 0.00 0.00 -0.95 -0.98 119.26 119.00 1upa h ALA 211 Ca 0.20 -0.60 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1upa h ALA 211 Cb 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1upa h ALA 211 CO -0.02 0.78 0.01 -0.07 0.00 0.00 0.00 179.25 179.95 1upa h LEU 212 N 0.16 0.90 -1.04 0.00 3.38 -1.08 -3.07 115.31 114.57 1upa h LEU 212 Ca -0.02 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1upa h LEU 212 Cb 1.22 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1upa h LEU 212 CO 0.11 0.98 0.28 0.25 0.09 0.00 0.00 178.44 180.14 1upa h LEU 213 N 0.79 0.88 -0.69 1.67 5.85 -0.96 -2.12 115.31 120.73 1upa h LEU 213 Ca 0.15 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.86 1upa h LEU 213 Cb 0.51 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 1upa h LEU 213 CO 0.02 0.77 0.31 0.00 -0.34 0.00 0.00 178.44 179.21 1upa h ALA 214 N 1.36 0.94 0.00 1.25 0.00 -1.11 -2.50 119.26 119.20 1upa h ALA 214 Ca 0.23 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1upa h ALA 214 Cb 0.16 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1upa h ALA 214 CO -0.02 -0.12 -0.15 0.93 0.00 0.00 0.00 179.25 179.89 1upa h GLU 215 N 0.52 0.00 -6.74 0.00 4.39 -1.38 -3.47 114.58 107.89 1upa h GLU 215 Ca 0.35 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.55 1upa h GLU 215 Cb 0.42 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1upa h GLU 215 CO -0.30 0.01 0.40 0.00 -1.16 0.00 0.00 179.01 177.95 1upa s ALA 216 N -3.23 3.36 -0.09 3.43 0.00 -0.83 -4.97 121.76 119.43 1upa s ALA 216 Ca 0.06 0.72 -0.22 0.00 0.00 0.00 0.00 51.96 52.52 1upa s ALA 216 Cb 0.06 -3.27 -0.29 0.00 0.00 0.00 0.00 23.12 19.63 1upa s ALA 216 CO 0.69 0.03 0.76 -0.22 0.00 0.00 0.00 175.76 177.02 1upa h LYS 217 N 4.25 0.20 -2.48 0.00 3.64 -1.92 -3.44 116.57 116.83 1upa h LYS 217 Ca -0.45 -0.34 -0.59 0.00 -1.27 0.00 0.00 60.65 57.99 1upa h LYS 217 Cb 1.21 0.13 -0.39 0.00 -0.41 0.00 0.00 32.23 32.76 1upa h LYS 217 CO 0.68 1.16 -0.87 0.72 -2.27 0.00 0.00 179.45 178.88 1upa n HIS 218 N -4.22 0.54 -2.09 1.91 8.25 -1.26 -4.33 115.22 114.01 1upa n HIS 218 Ca -0.16 -3.66 -0.31 0.00 -0.26 0.00 0.00 57.72 53.33 1upa n HIS 218 Cb 0.75 -0.11 -0.00 0.00 1.12 0.00 0.00 29.99 31.74 1upa n HIS 218 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1upa s PRO 219 N -0.70 3.69 0.07 -0.41 0.04 -1.26 -2.32 135.00 134.11 1upa s PRO 219 Ca 0.32 0.75 0.02 0.00 0.04 0.00 0.00 61.00 62.13 1upa s PRO 219 Cb 0.05 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1upa s PRO 219 CO -0.17 -0.45 -0.08 0.14 0.04 0.00 0.00 177.00 176.48 1upa s VAL 220 N -2.98 0.69 -0.24 -0.36 -7.23 -0.25 -4.25 120.40 105.78 1upa s VAL 220 Ca 0.55 -1.48 -0.07 0.00 -1.81 0.00 0.00 61.98 59.16 1upa s VAL 220 Cb -0.11 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.67 1upa s VAL 220 CO 0.47 -0.57 0.07 -0.76 -0.31 0.00 0.00 175.10 173.99 1upa s LEU 221 N -2.24 3.52 -0.35 1.32 1.43 -0.49 -1.72 118.68 120.14 1upa s LEU 221 Ca 0.01 -0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 52.87 1upa s LEU 221 Cb -0.04 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.28 1upa s LEU 221 CO -0.01 0.01 0.16 -0.69 0.23 0.00 0.00 176.35 176.04 1upa s VAL 222 N 1.36 4.21 -0.18 -1.59 1.01 0.02 -0.43 120.40 124.80 1upa s VAL 222 Ca 0.05 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 1upa s VAL 222 Cb -0.15 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1upa s VAL 222 CO 0.04 -0.19 -0.00 -0.69 0.00 0.00 0.00 175.10 174.25 1upa s VAL 223 N 1.49 4.10 0.52 2.92 1.01 0.20 0.29 120.40 130.93 1upa s VAL 223 Ca 0.00 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 61.77 1upa s VAL 223 Cb -0.19 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.38 1upa s VAL 223 CO 0.05 0.46 0.40 -0.83 0.00 0.00 0.00 175.10 175.18 1upa s GLY 224 N 0.63 2.32 0.42 4.51 0.00 -0.75 -2.37 107.32 112.08 1upa s GLY 224 Ca -0.00 -1.42 0.11 0.00 0.00 0.00 0.00 44.72 43.41 1upa s GLY 224 CO 0.02 -1.90 1.99 0.00 0.00 0.00 0.00 173.10 173.21 1upa h ALA 225 N 0.80 1.65 0.00 3.20 0.00 -1.88 -2.40 119.26 120.63 1upa h ALA 225 Ca -0.37 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1upa h ALA 225 Cb 1.29 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1upa h ALA 225 CO 0.57 0.26 -0.01 0.00 0.00 0.00 0.00 179.25 180.08 1upa h ALA 226 N 1.75 1.65 -0.58 0.00 0.00 -1.90 -0.23 119.26 119.95 1upa h ALA 226 Ca 0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1upa h ALA 226 Cb 0.24 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1upa h ALA 226 CO 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 179.25 179.26 1upa h ALA 227 N 1.99 0.89 -0.37 0.00 0.00 -1.66 -1.78 119.26 118.32 1upa h ALA 227 Ca -0.00 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 1upa h ALA 227 Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1upa h ALA 227 CO 0.00 0.66 -0.28 0.82 0.00 0.00 0.00 179.25 180.44 1upa h ILE 228 N 0.93 1.28 -0.29 0.00 2.04 -1.19 -2.21 117.51 118.07 1upa h ILE 228 Ca 0.17 -1.45 -0.04 0.00 1.00 0.00 0.00 64.86 64.54 1upa h ILE 228 Cb 0.55 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1upa h ILE 228 CO 0.03 0.48 0.01 0.03 0.00 0.00 0.00 178.15 178.70 1upa h ARG 229 N 0.64 0.44 0.00 2.37 3.08 -1.22 -1.24 114.38 118.44 1upa h ARG 229 Ca 0.07 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1upa h ARG 229 Cb 0.86 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1upa h ARG 229 CO 0.07 0.45 0.00 0.45 -1.07 0.00 0.00 179.97 179.88 1upa n SER 230 N -4.32 0.27 -0.68 7.04 2.88 -0.68 -4.59 113.62 113.53 1upa n SER 230 Ca 0.01 0.56 -0.05 0.00 -1.33 0.00 0.00 58.87 58.06 1upa n SER 230 Cb 0.21 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 1upa n SER 230 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1upa n GLY 231 N 0.20 0.22 1.13 0.46 0.00 -0.47 -4.60 105.19 102.14 1upa n GLY 231 Ca 0.03 -0.64 0.10 0.00 0.00 0.00 0.00 46.02 45.51 1upa n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upa n ALA 232 N -1.51 2.34 0.36 4.61 0.00 -0.84 -4.67 120.51 120.81 1upa n ALA 232 Ca -0.05 -1.19 -0.17 0.00 0.00 0.00 0.00 53.44 52.03 1upa n ALA 232 Cb 0.54 -0.79 -0.09 0.00 0.00 0.00 0.00 19.45 19.12 1upa n ALA 232 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1upa h VAL 233 N 3.76 0.29 -0.91 0.00 2.07 -1.88 -0.15 116.25 119.43 1upa h VAL 233 Ca 0.00 -0.14 0.12 0.00 0.82 0.00 0.00 66.70 67.50 1upa h VAL 233 Cb 0.92 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.94 1upa h VAL 233 CO 0.00 0.02 0.54 -0.65 0.02 0.00 0.00 177.57 177.50 1upa h PRO 234 N -1.00 0.82 -0.31 1.57 0.11 -1.91 -0.79 132.00 130.49 1upa h PRO 234 Ca -0.09 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.84 1upa h PRO 234 Cb 0.72 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 1upa h PRO 234 CO 0.15 0.55 -0.33 0.00 -0.21 0.00 0.00 178.00 178.15 1upa h ALA 235 N 1.52 0.83 -0.18 -0.75 0.00 -1.85 -0.18 119.26 118.64 1upa h ALA 235 Ca 0.46 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1upa h ALA 235 Cb 0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1upa h ALA 235 CO -0.28 0.64 -0.03 0.82 0.00 0.00 0.00 179.25 180.40 1upa h ILE 236 N 0.57 1.28 -0.73 0.00 2.04 -0.54 -1.59 117.51 118.54 1upa h ILE 236 Ca 0.06 -0.96 0.04 0.00 1.00 0.00 0.00 64.86 65.00 1upa h ILE 236 Cb 0.85 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 38.42 1upa h ILE 236 CO 0.07 0.29 0.45 -0.09 0.00 0.00 0.00 178.15 178.87 1upa h ARG 237 N 0.07 0.84 -0.65 2.37 2.43 -0.99 -0.24 114.38 118.21 1upa h ARG 237 Ca 0.05 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1upa h ARG 237 Cb 0.45 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1upa h ARG 237 CO 0.02 0.55 0.21 0.00 -1.51 0.00 0.00 179.97 179.24 1upa h ALA 238 N 1.33 0.85 0.18 2.80 0.00 -0.93 -0.77 119.26 122.71 1upa h ALA 238 Ca 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1upa h ALA 238 Cb 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1upa h ALA 238 CO -0.13 0.51 -0.08 1.25 0.00 0.00 0.00 179.25 180.80 1upa h LEU 239 N 0.93 -0.20 -0.94 0.00 5.85 -0.89 -2.08 115.31 117.99 1upa h LEU 239 Ca 0.21 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.96 1upa h LEU 239 Cb 0.28 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1upa h LEU 239 CO -0.01 -0.14 0.61 0.00 -0.34 0.00 0.00 178.44 178.57 1upa h ALA 240 N 0.58 1.24 -0.29 1.25 0.00 -0.93 -1.82 119.26 119.28 1upa h ALA 240 Ca -0.02 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1upa h ALA 240 Cb 0.19 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1upa h ALA 240 CO 0.04 0.49 -0.51 0.93 0.00 0.00 0.00 179.25 180.20 1upa h GLU 241 N 1.19 0.86 -0.22 0.00 5.08 -1.03 0.13 114.58 120.60 1upa h GLU 241 Ca 0.37 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1upa h GLU 241 Cb -0.01 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1upa h GLU 241 CO -0.12 1.17 0.09 -0.09 -1.00 0.00 0.00 179.01 179.06 1upa h ARG 242 N 0.64 0.32 -0.02 2.33 2.43 -1.22 -3.23 114.38 115.64 1upa h ARG 242 Ca 0.02 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1upa h ARG 242 Cb 1.11 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1upa h ARG 242 CO 0.11 0.37 -0.01 1.28 -1.51 0.00 0.00 179.97 180.22 1upa n LEU 243 N -4.82 1.89 -3.76 3.80 4.77 -0.70 -4.23 117.00 113.95 1upa n LEU 243 Ca -0.03 -0.63 -0.26 0.00 -0.03 0.00 0.00 56.01 55.05 1upa n LEU 243 Cb 0.12 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1upa n LEU 243 CO 0.35 0.32 0.13 -3.20 -1.33 0.00 0.00 177.39 173.66 1upa n ASN 244 N 0.47 -4.73 -4.62 -1.43 5.15 0.38 -1.25 115.26 109.23 1upa n ASN 244 Ca 0.18 -0.70 -0.38 0.00 -0.60 0.00 0.00 54.58 53.07 1upa n ASN 244 Cb 0.42 -4.34 -0.09 0.00 -0.53 0.00 0.00 39.78 35.23 1upa n ASN 244 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1upa s ILE 245 N -3.35 5.25 0.47 -1.44 1.01 -0.80 -4.30 121.20 118.04 1upa s ILE 245 Ca 0.52 0.43 -0.24 0.00 0.00 0.00 0.00 60.65 61.36 1upa s ILE 245 Cb -0.25 -3.63 -0.08 0.00 0.01 0.00 0.00 42.46 38.51 1upa s ILE 245 CO 0.79 0.23 1.25 -2.65 0.00 0.00 0.00 174.94 174.56 1upa n PRO 246 N 4.90 1.74 -3.84 2.79 -0.02 -1.26 -4.72 135.00 134.59 1upa n PRO 246 Ca -0.11 0.63 -0.36 0.00 -2.02 0.00 0.00 63.50 61.64 1upa n PRO 246 Cb 0.51 -2.39 -0.13 0.00 -0.02 0.00 0.00 33.50 31.47 1upa n PRO 246 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1upa s VAL 247 N -1.26 3.53 -0.02 -1.45 1.01 0.10 -1.40 120.40 120.92 1upa s VAL 247 Ca 0.65 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1upa s VAL 247 Cb -0.48 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1upa s VAL 247 CO 0.55 0.14 0.01 -0.63 0.00 0.00 0.00 175.10 175.17 1upa s ILE 248 N 1.43 4.21 0.22 2.22 1.01 0.42 -1.90 121.20 128.82 1upa s ILE 248 Ca 0.02 -0.53 0.07 0.00 0.00 0.00 0.00 60.65 60.21 1upa s ILE 248 Cb -0.17 -2.86 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 1upa s ILE 248 CO -0.00 0.42 -0.12 0.42 0.00 0.00 0.00 174.94 175.65 1upa s THR 249 N -1.06 1.66 1.13 2.92 -4.23 -0.83 -0.63 115.64 114.60 1upa s THR 249 Ca 0.19 -2.18 -0.17 0.00 -1.18 0.00 0.00 61.69 58.34 1upa s THR 249 Cb -0.11 -2.14 0.26 0.00 1.34 0.00 0.00 72.50 71.84 1upa s THR 249 CO 0.09 -0.53 1.13 0.42 -0.54 0.00 0.00 174.62 175.20 1upa s THR 250 N -3.02 1.73 0.19 3.99 -4.23 -1.00 -2.19 115.64 111.11 1upa s THR 250 Ca 0.24 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.63 1upa s THR 250 Cb 0.01 -2.56 0.10 0.00 1.34 0.00 0.00 72.50 71.39 1upa s THR 250 CO 0.08 0.00 1.76 1.88 -0.54 0.00 0.00 174.62 177.79 1upa h TYR 251 N -2.33 0.37 -0.01 3.99 0.05 -1.85 -2.80 116.97 114.39 1upa h TYR 251 Ca -0.47 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.34 1upa h TYR 251 Cb 1.30 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.95 1upa h TYR 251 CO -1.53 0.13 -0.28 1.51 -1.05 0.00 0.00 178.16 176.94 1upa n ILE 252 N -4.97 0.00 0.57 -2.88 3.06 -1.26 -3.34 119.36 110.54 1upa n ILE 252 Ca 0.06 -0.25 0.07 0.00 -2.50 0.00 0.00 62.75 60.13 1upa n ILE 252 Cb 0.20 0.91 0.20 0.00 0.54 0.00 0.00 39.64 41.48 1upa n ILE 252 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1upa n ALA 253 N -0.03 2.44 -1.75 1.51 0.00 -1.06 -3.93 120.51 117.68 1upa n ALA 253 Ca 0.12 -0.78 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 1upa n ALA 253 Cb 0.43 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 1upa n ALA 253 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1upa n LYS 254 N 0.80 2.55 -0.50 0.00 5.02 -1.20 -2.80 118.16 122.03 1upa n LYS 254 Ca 0.15 0.90 0.00 0.00 -2.02 0.00 0.00 58.31 57.34 1upa n LYS 254 Cb 0.38 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 32.78 1upa n LYS 254 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1upa n GLY 255 N 0.88 0.75 0.28 0.72 0.00 -1.26 -3.78 105.19 102.79 1upa n GLY 255 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 1upa n GLY 255 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1upa h VAL 256 N 0.00 0.41 -3.46 1.61 -1.51 -1.74 -2.85 116.25 108.71 1upa h VAL 256 Ca 0.00 -0.36 -0.66 0.00 -1.23 0.00 0.00 66.70 64.45 1upa h VAL 256 Cb 0.00 1.25 -0.18 0.00 -2.13 0.00 0.00 31.29 30.22 1upa h VAL 256 CO 0.00 0.07 -0.80 -0.76 -1.23 0.00 0.00 177.57 174.84 1upa s LEU 257 N -7.05 2.62 0.70 4.19 1.43 -1.26 -4.85 118.68 114.46 1upa s LEU 257 Ca -0.03 -0.68 -0.15 0.00 -1.03 0.00 0.00 54.13 52.24 1upa s LEU 257 Cb 0.13 -1.41 0.02 0.00 0.03 0.00 0.00 46.19 44.96 1upa s LEU 257 CO 0.55 0.15 1.19 -2.84 0.23 0.00 0.00 176.35 175.62 1upa s PRO 258 N -2.41 2.37 0.17 1.29 0.02 -1.26 -4.82 135.00 130.36 1upa s PRO 258 Ca 0.19 1.69 -0.33 0.00 0.02 0.00 0.00 61.00 62.57 1upa s PRO 258 Cb -0.09 -1.87 -0.14 0.00 0.02 0.00 0.00 34.50 32.42 1upa s PRO 258 CO 0.10 -1.64 1.50 0.28 -0.33 0.00 0.00 177.00 176.91 1upa n VAL 259 N -2.53 0.28 0.00 3.83 0.31 -1.26 -2.25 118.33 116.71 1upa n VAL 259 Ca 0.13 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1upa n VAL 259 Cb 0.51 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 1upa n VAL 259 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1upa n GLY 260 N 2.94 1.44 3.75 2.92 0.00 -1.26 -5.04 105.19 109.94 1upa n GLY 260 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1upa n GLY 260 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1upa s HIS 261 N -2.37 2.80 0.54 1.61 5.04 -0.95 -4.89 115.29 117.06 1upa s HIS 261 Ca 0.00 0.79 0.37 0.00 -1.54 0.00 0.00 55.06 54.68 1upa s HIS 261 Cb 0.00 -4.04 1.99 0.00 0.04 0.00 0.00 32.58 30.58 1upa s HIS 261 CO 0.00 -3.50 2.25 1.05 -2.34 0.00 0.00 174.74 172.20 1upa h GLU 262 N 5.03 0.00 -0.02 2.88 4.11 -1.96 -2.00 114.58 122.62 1upa h GLU 262 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1upa h GLU 262 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1upa h GLU 262 CO 0.80 0.02 -0.32 1.28 0.07 0.00 0.00 179.01 180.87 1upa n LEU 263 N -3.37 2.19 -4.57 3.06 4.77 -1.26 -4.76 117.00 113.06 1upa n LEU 263 Ca -0.02 -0.77 -0.33 0.00 -0.03 0.00 0.00 56.01 54.86 1upa n LEU 263 Cb 0.13 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1upa n LEU 263 CO 0.24 0.39 1.50 0.21 -1.33 0.00 0.00 177.39 178.41 1upa s ASN 264 N -2.34 5.71 0.00 -1.43 3.84 -0.75 -0.72 114.94 119.25 1upa s ASN 264 Ca 0.22 -1.34 0.27 0.00 0.21 0.00 0.00 52.86 52.23 1upa s ASN 264 Cb 0.19 -2.57 1.45 0.00 -0.55 0.00 0.00 41.25 39.77 1upa s ASN 264 CO 0.49 -2.27 1.96 -1.22 -2.79 0.00 0.00 177.10 173.26 1upa n TYR 265 N 11.95 0.02 0.00 0.43 4.02 -0.80 -4.91 117.16 127.88 1upa n TYR 265 Ca 0.40 -0.01 0.00 0.00 -0.01 0.00 0.00 57.90 58.29 1upa n TYR 265 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 1upa n TYR 265 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1upa n GLY 266 N 1.00 -0.01 3.94 2.72 0.00 -1.25 -4.93 105.19 106.66 1upa n GLY 266 Ca 0.20 -1.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.05 1upa n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upa s ALA 267 N -1.19 3.75 -0.10 4.61 0.00 -1.26 -1.97 121.76 125.60 1upa s ALA 267 Ca 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 1upa s ALA 267 Cb 0.00 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 1upa s ALA 267 CO 0.00 0.12 -0.04 0.08 0.00 0.00 0.00 175.76 175.92 1upa s VAL 268 N -2.17 3.90 0.01 0.00 1.01 -0.93 -4.86 120.40 117.36 1upa s VAL 268 Ca 0.39 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1upa s VAL 268 Cb -0.10 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 1upa s VAL 268 CO 0.33 0.57 -0.05 0.28 0.00 0.00 0.00 175.10 176.23 1upa s THR 269 N -0.45 0.36 0.24 3.92 -1.32 -1.26 -4.56 115.64 112.57 1upa s THR 269 Ca 0.07 -0.39 0.34 0.00 -1.21 0.00 0.00 61.69 60.50 1upa s THR 269 Cb -0.12 -0.35 0.34 0.00 -1.51 0.00 0.00 72.50 70.86 1upa s THR 269 CO 0.02 -0.03 2.03 1.23 -2.21 0.00 0.00 174.62 175.67 1upa h GLY 270 N 5.68 0.00 -5.74 6.08 0.00 -1.93 -3.43 103.07 103.74 1upa h GLY 270 Ca -0.29 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.32 1upa h GLY 270 CO 0.48 0.00 2.95 -1.72 0.00 0.00 0.00 176.54 178.25 1upa n TYR 271 N -2.69 2.88 0.00 5.60 4.02 -1.26 -4.33 117.16 121.38 1upa n TYR 271 Ca -0.02 -2.94 0.00 0.00 -0.01 0.00 0.00 57.90 54.93 1upa n TYR 271 Cb 0.06 -2.25 0.00 0.00 -0.02 0.00 0.00 39.34 37.13 1upa n TYR 271 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1upa n ASP 273 N 3.96 0.00 -0.06 7.72 9.92 -1.26 -1.51 116.55 135.31 1upa n ASP 273 Ca 0.59 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.77 1upa n ASP 273 Cb 0.31 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 40.87 1upa n ASP 273 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1upa h GLY 274 N 0.00 0.78 1.16 0.44 0.00 -1.83 -0.02 103.07 103.61 1upa h GLY 274 Ca 0.00 -0.73 -0.20 0.00 0.00 0.00 0.00 47.33 46.40 1upa h GLY 274 CO 0.00 0.66 -0.64 -2.22 0.00 0.00 0.00 176.54 174.34 1upa h ILE 275 N 0.61 1.27 -0.00 2.60 2.04 -1.60 -3.26 117.51 119.17 1upa h ILE 275 Ca 0.07 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 64.11 1upa h ILE 275 Cb 0.83 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1upa h ILE 275 CO 0.07 0.59 -0.37 0.18 0.00 0.00 0.00 178.15 178.62 1upa n LEU 276 N -3.98 0.87 -3.92 1.44 4.77 -1.22 -4.97 117.00 109.99 1upa n LEU 276 Ca -0.06 -0.19 -0.35 0.00 -0.03 0.00 0.00 56.01 55.38 1upa n LEU 276 Cb 0.67 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.62 1upa n LEU 276 CO 0.51 0.18 -0.17 -3.20 -1.33 0.00 0.00 177.39 173.38 1upa n ASN 277 N -0.96 -3.65 -3.66 -1.43 5.15 -0.05 -4.96 115.26 105.71 1upa n ASN 277 Ca 0.09 -1.04 -0.15 0.00 -0.60 0.00 0.00 54.58 52.89 1upa n ASN 277 Cb 0.35 -1.35 -0.08 0.00 -0.53 0.00 0.00 39.78 38.17 1upa n ASN 277 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1upa s PHE 278 N -3.49 -0.54 -1.39 1.20 5.36 -1.05 -5.06 117.98 113.01 1upa s PHE 278 Ca 0.30 1.17 -0.14 0.00 -0.96 0.00 0.00 56.93 57.29 1upa s PHE 278 Cb -0.17 0.24 -0.01 0.00 -0.34 0.00 0.00 43.02 42.74 1upa s PHE 278 CO 0.81 -0.39 2.30 -0.35 -1.46 0.00 0.00 175.22 176.13 1upa n PRO 279 N 2.02 2.80 0.05 10.12 -0.04 -1.26 -4.39 135.00 144.30 1upa n PRO 279 Ca -0.16 -2.42 -0.20 0.00 -0.04 0.00 0.00 63.50 60.67 1upa n PRO 279 Cb 0.56 -3.15 -0.12 0.00 -0.04 0.00 0.00 33.50 30.76 1upa n PRO 279 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1upa h ALA 280 N 6.09 0.06 -0.74 0.55 0.00 -1.97 -1.78 119.26 121.46 1upa h ALA 280 Ca 0.60 -0.70 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1upa h ALA 280 Cb 0.58 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1upa h ALA 280 CO 1.87 0.60 0.24 -0.07 0.00 0.00 0.00 179.25 181.89 1upa h LEU 281 N 0.21 1.07 -0.40 0.00 3.38 -1.96 -2.77 115.31 114.83 1upa h LEU 281 Ca -0.14 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 1upa h LEU 281 Cb 1.70 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 1upa h LEU 281 CO 0.20 0.98 -0.01 1.56 0.09 0.00 0.00 178.44 181.26 1upa h GLN 282 N 1.10 0.72 -0.33 1.13 1.08 -1.94 -1.12 115.11 115.75 1upa h GLN 282 Ca 0.24 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1upa h GLN 282 Cb 0.29 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1upa h GLN 282 CO -0.01 0.81 0.00 2.41 -0.95 0.00 0.00 178.83 181.09 1upa n THR 283 N -4.43 0.01 0.00 -0.54 -1.04 -0.67 -0.15 114.28 107.46 1upa n THR 283 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1upa n THR 283 Cb 0.30 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 1upa n THR 283 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1upa n PHE 285 N 0.55 0.00 -0.16 -1.42 3.72 -0.42 -4.77 117.46 114.96 1upa n PHE 285 Ca 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 1upa n PHE 285 Cb 0.01 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.62 1upa n PHE 285 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1upa h ALA 286 N 0.00 0.54 -0.01 4.37 0.00 -0.66 -1.44 119.26 122.05 1upa h ALA 286 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1upa h ALA 286 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1upa h ALA 286 CO 0.00 -0.33 0.00 -0.35 0.00 0.00 0.00 179.25 178.57 1upa n PRO 287 N -5.15 1.49 -2.37 0.00 -0.04 -1.26 -1.45 135.00 126.22 1upa n PRO 287 Ca 0.06 -0.71 -0.41 0.00 -0.04 0.00 0.00 63.50 62.40 1upa n PRO 287 Cb 0.26 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 1upa n PRO 287 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1upa s VAL 288 N -1.99 3.56 -0.32 0.52 1.01 -0.54 -4.61 120.40 118.02 1upa s VAL 288 Ca 0.40 1.31 0.08 0.00 0.00 0.00 0.00 61.98 63.77 1upa s VAL 288 Cb 0.21 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.67 1upa s VAL 288 CO 0.34 0.20 0.31 -0.90 0.00 0.00 0.00 175.10 175.06 1upa n ASP 289 N 2.55 0.77 -3.74 3.32 5.75 -0.98 -4.68 116.55 119.55 1upa n ASP 289 Ca 0.05 -0.59 -0.22 0.00 -0.01 0.00 0.00 54.79 54.02 1upa n ASP 289 Cb 0.45 1.05 -0.18 0.00 -1.03 0.00 0.00 41.12 41.41 1upa n ASP 289 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1upa s LEU 290 N -2.54 0.48 -0.26 -2.12 2.96 -1.25 -1.36 118.68 114.58 1upa s LEU 290 Ca 0.02 -0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 53.80 1upa s LEU 290 Cb 0.06 -0.36 -0.00 0.00 0.50 0.00 0.00 46.19 46.38 1upa s LEU 290 CO 0.33 -0.22 0.03 -0.69 -1.32 0.00 0.00 176.35 174.48 1upa s VAL 291 N 2.03 3.79 -0.48 1.68 1.01 -0.33 -1.09 120.40 127.01 1upa s VAL 291 Ca 0.05 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 1upa s VAL 291 Cb -0.12 -2.85 0.12 0.00 0.00 0.00 0.00 36.38 33.52 1upa s VAL 291 CO -0.05 0.24 0.36 -0.76 0.00 0.00 0.00 175.10 174.89 1upa s LEU 292 N 1.51 5.73 -0.75 3.92 1.02 -0.70 -0.67 118.68 128.74 1upa s LEU 292 Ca 0.04 -1.87 -0.24 0.00 0.02 0.00 0.00 54.13 52.08 1upa s LEU 292 Cb -0.16 -2.04 0.06 0.00 0.02 0.00 0.00 46.19 44.07 1upa s LEU 292 CO 0.01 -0.71 1.14 0.42 0.02 0.00 0.00 176.35 177.23 1upa s THR 293 N 1.40 4.09 -0.40 5.49 -4.23 -0.18 -0.80 115.64 121.01 1upa s THR 293 Ca 0.05 -0.21 -0.19 0.00 -1.18 0.00 0.00 61.69 60.16 1upa s THR 293 Cb -0.26 -4.82 0.01 0.00 1.34 0.00 0.00 72.50 68.77 1upa s THR 293 CO -0.00 -1.66 0.56 -0.69 -0.54 0.00 0.00 174.62 172.29 1upa s VAL 294 N 4.66 4.94 -0.50 2.29 1.01 0.15 -2.08 120.40 130.87 1upa s VAL 294 Ca 0.30 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 1upa s VAL 294 Cb -0.11 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1upa s VAL 294 CO 0.08 -0.44 0.43 0.61 0.00 0.00 0.00 175.10 175.79 1upa n GLY 295 N 4.96 0.21 3.77 4.51 0.00 0.56 -1.81 105.19 117.39 1upa n GLY 295 Ca -0.04 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 1upa n GLY 295 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1upa s TYR 296 N -3.14 3.22 -0.25 1.61 5.04 -1.12 -4.10 117.35 118.62 1upa s TYR 296 Ca 0.09 1.52 -0.03 0.00 -2.44 0.00 0.00 57.07 56.21 1upa s TYR 296 Cb -0.04 -3.54 0.13 0.00 0.35 0.00 0.00 41.96 38.87 1upa s TYR 296 CO 0.29 -1.41 0.42 0.34 -1.34 0.00 0.00 175.55 173.86 1upa s ASP 297 N -0.65 -0.12 0.52 4.32 -1.08 -1.26 -4.89 116.67 113.51 1upa s ASP 297 Ca 0.48 0.48 0.22 0.00 -0.52 0.00 0.00 52.55 53.21 1upa s ASP 297 Cb -0.37 1.34 1.34 0.00 -1.46 0.00 0.00 42.92 43.78 1upa s ASP 297 CO 0.48 -0.28 2.04 0.22 0.52 0.00 0.00 175.17 178.15 1upa h TYR 298 N 8.15 0.02 -0.60 -5.34 3.20 -1.95 -1.66 116.97 118.79 1upa h TYR 298 Ca -0.19 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.74 1upa h TYR 298 Cb 1.15 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.37 1upa h TYR 298 CO 0.15 0.01 0.40 0.00 -1.64 0.00 0.00 178.16 177.07 1upa h ALA 299 N 1.81 1.85 0.00 1.82 0.00 -1.95 -1.30 119.26 121.49 1upa h ALA 299 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1upa h ALA 299 Cb 0.70 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1upa h ALA 299 CO -0.01 0.05 0.00 0.39 0.00 0.00 0.00 179.25 179.68 1upa n GLU 300 N -4.48 0.13 -1.07 0.00 1.02 -0.62 -3.70 120.64 111.91 1upa n GLU 300 Ca 0.09 0.49 -0.02 0.00 -0.02 0.00 0.00 57.16 57.69 1upa n GLU 300 Cb 0.26 -1.81 -0.01 0.00 -0.02 0.00 0.00 31.44 29.86 1upa n GLU 300 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1upa n ASP 301 N -2.06 -3.64 -4.50 1.62 2.03 -0.49 -4.72 116.55 104.79 1upa n ASP 301 Ca 0.01 0.06 -0.42 0.00 0.52 0.00 0.00 54.79 54.96 1upa n ASP 301 Cb 0.12 -1.35 -0.03 0.00 -0.72 0.00 0.00 41.12 39.14 1upa n ASP 301 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1upa s LEU 302 N -0.54 3.83 0.22 -2.67 2.96 -1.26 -4.78 118.68 116.44 1upa s LEU 302 Ca 0.00 -0.82 -0.01 0.00 -0.22 0.00 0.00 54.13 53.08 1upa s LEU 302 Cb 0.00 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 1upa s LEU 302 CO 0.00 -1.60 0.41 -0.13 -1.32 0.00 0.00 176.35 173.71 1upa s ARG 303 N 4.78 3.53 0.34 1.98 0.52 -1.26 -4.84 118.95 124.00 1upa s ARG 303 Ca 0.29 -0.31 0.10 0.00 -0.52 0.00 0.00 55.73 55.29 1upa s ARG 303 Cb -0.12 -2.81 0.85 0.00 0.52 0.00 0.00 34.95 33.39 1upa s ARG 303 CO 0.10 0.37 1.80 -1.35 0.02 0.00 0.00 175.30 176.25 1upa h PRO 304 N 1.91 0.64 -2.00 3.54 0.11 -1.96 -3.33 132.00 130.91 1upa h PRO 304 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1upa h PRO 304 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1upa h PRO 304 CO 0.67 0.42 0.00 -1.13 -0.21 0.00 0.00 178.00 177.76 1upa n SER 305 N -4.67 0.00 0.00 -2.05 3.41 -1.26 -2.12 113.62 106.93 1upa n SER 305 Ca 0.22 -0.85 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 1upa n SER 305 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1upa n SER 305 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1upa n TRP 307 N 1.85 0.00 -2.31 7.33 2.14 -1.25 -4.72 117.44 120.47 1upa n TRP 307 Ca 0.00 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.14 1upa n TRP 307 Cb 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.50 1upa n TRP 307 CO 0.00 0.00 0.00 1.04 2.07 0.00 0.00 177.69 180.80 1upa n GLN 308 N 0.00 3.29 -4.53 -2.67 6.02 -0.90 -4.86 117.38 113.72 1upa n GLN 308 Ca 0.00 -3.28 -0.21 0.00 -0.01 0.00 0.00 57.00 53.50 1upa n GLN 308 Cb 0.00 -3.14 -0.15 0.00 1.02 0.00 0.00 30.24 27.97 1upa n GLN 308 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1upa s LYS 309 N 1.98 1.01 7.35 -1.09 -0.14 -1.26 -5.06 119.74 122.53 1upa s LYS 309 Ca 0.44 -0.42 0.00 0.00 -1.36 0.00 0.00 55.97 54.63 1upa s LYS 309 Cb 0.08 -0.97 0.00 0.00 -1.68 0.00 0.00 37.83 35.26 1upa s LYS 309 CO -0.01 0.24 0.00 0.41 -0.76 0.00 0.00 175.35 175.23 1upa n GLY 310 N 2.86 2.48 3.78 -3.33 0.00 -1.26 -3.92 105.19 105.79 1upa n GLY 310 Ca -0.15 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 1upa n GLY 310 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1upa s ILE 311 N 0.00 3.34 0.27 -0.61 -4.36 -0.53 -4.97 121.20 114.34 1upa s ILE 311 Ca 0.00 0.44 -0.30 0.00 -0.26 0.00 0.00 60.65 60.53 1upa s ILE 311 Cb 0.00 -3.02 -0.10 0.00 1.25 0.00 0.00 42.46 40.59 1upa s ILE 311 CO 0.00 -0.57 1.41 -1.61 0.24 0.00 0.00 174.94 174.41 1upa s GLU 312 N -4.97 4.28 0.15 0.37 0.41 -1.26 -4.95 118.70 112.72 1upa s GLU 312 Ca 0.61 2.29 0.11 0.00 -0.41 0.00 0.00 54.97 57.56 1upa s GLU 312 Cb -0.16 -3.10 -0.04 0.00 -1.78 0.00 0.00 34.13 29.05 1upa s GLU 312 CO 0.56 -0.37 -0.25 0.15 -0.49 0.00 0.00 175.26 174.85 1upa s LYS 313 N -0.72 1.41 0.20 1.61 1.02 -1.26 -4.74 119.74 117.26 1upa s LYS 313 Ca 0.57 -1.39 0.02 0.00 0.02 0.00 0.00 55.97 55.18 1upa s LYS 313 Cb -0.41 -1.80 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 1upa s LYS 313 CO 0.46 0.41 0.36 0.15 -0.92 0.00 0.00 175.35 175.81 1upa s LYS 314 N -2.29 3.47 0.04 1.68 -0.14 -0.47 -5.00 119.74 117.04 1upa s LYS 314 Ca 0.16 -0.52 0.05 0.00 -1.36 0.00 0.00 55.97 54.29 1upa s LYS 314 Cb -0.09 -2.88 -0.02 0.00 -1.68 0.00 0.00 37.83 33.15 1upa s LYS 314 CO 0.07 0.43 -0.14 0.95 -0.76 0.00 0.00 175.35 175.91 1upa s THR 315 N -1.88 1.08 -0.15 2.17 -4.23 -1.26 -1.18 115.64 110.19 1upa s THR 315 Ca 0.36 -1.01 0.01 0.00 -1.18 0.00 0.00 61.69 59.88 1upa s THR 315 Cb -0.11 -0.98 0.02 0.00 1.34 0.00 0.00 72.50 72.77 1upa s THR 315 CO 0.29 -0.02 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.49 1upa s VAL 316 N -0.88 1.78 -0.12 2.29 1.01 0.15 -1.80 120.40 122.83 1upa s VAL 316 Ca 0.01 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 61.06 1upa s VAL 316 Cb -0.08 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 1upa s VAL 316 CO 0.01 0.49 0.36 -0.60 0.00 0.00 0.00 175.10 175.36 1upa s ARG 317 N 1.23 4.18 -0.17 2.72 3.52 -0.17 -1.02 118.95 129.23 1upa s ARG 317 Ca 0.01 0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.85 1upa s ARG 317 Cb -0.14 -3.38 0.03 0.00 -1.56 0.00 0.00 34.95 29.91 1upa s ARG 317 CO -0.08 0.33 -0.11 0.42 -0.81 0.00 0.00 175.30 175.05 1upa s ILE 318 N 0.15 1.52 -0.06 4.11 1.09 -0.88 0.04 121.20 127.16 1upa s ILE 318 Ca 0.20 -0.79 -0.20 0.00 -1.10 0.00 0.00 60.65 58.76 1upa s ILE 318 Cb -0.14 -1.54 0.04 0.00 -1.06 0.00 0.00 42.46 39.76 1upa s ILE 318 CO 0.07 0.28 0.47 -0.55 -0.10 0.00 0.00 174.94 175.11 1upa s SER 319 N 1.47 -0.41 0.00 3.58 0.15 -0.73 -0.32 113.70 117.44 1upa s SER 319 Ca 0.02 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1upa s SER 319 Cb -0.15 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1upa s SER 319 CO -0.09 -0.44 0.80 -0.81 1.20 0.00 0.00 173.24 173.90 1upa n PRO 320 N 1.51 0.97 -3.98 5.44 -0.04 -0.85 -1.40 135.00 136.65 1upa n PRO 320 Ca -0.19 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.18 1upa n PRO 320 Cb 0.56 -1.19 -0.10 0.00 -0.04 0.00 0.00 33.50 32.73 1upa n PRO 320 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1upa s THR 321 N -0.35 0.13 0.48 0.52 -4.23 -1.26 -1.37 115.64 109.55 1upa s THR 321 Ca 0.00 -1.04 -0.22 0.00 -1.18 0.00 0.00 61.69 59.25 1upa s THR 321 Cb 0.00 -0.56 -0.07 0.00 1.34 0.00 0.00 72.50 73.21 1upa s THR 321 CO 0.00 -0.57 1.15 -0.69 -0.54 0.00 0.00 174.62 173.96 1upa s VAL 322 N -1.97 3.17 -0.18 2.29 1.01 -1.26 -4.85 120.40 118.60 1upa s VAL 322 Ca -0.11 0.84 -0.29 0.00 0.00 0.00 0.00 61.98 62.42 1upa s VAL 322 Cb -0.06 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 1upa s VAL 322 CO -0.02 -0.05 1.99 0.21 0.00 0.00 0.00 175.10 177.22 1upa s ASN 323 N -1.48 5.91 0.00 3.32 2.47 -1.26 -4.88 114.94 119.02 1upa s ASN 323 Ca 0.65 1.92 0.28 0.00 0.42 0.00 0.00 52.86 56.13 1upa s ASN 323 Cb -0.27 -2.52 1.15 0.00 -1.45 0.00 0.00 41.25 38.16 1upa s ASN 323 CO 0.32 -1.60 1.82 -0.81 -3.72 0.00 0.00 177.10 173.12 1upa n PRO 324 N 8.24 0.54 -2.68 0.43 -0.04 -1.26 -4.44 135.00 135.78 1upa n PRO 324 Ca 0.25 -0.18 -0.16 0.00 -0.04 0.00 0.00 63.50 63.36 1upa n PRO 324 Cb 0.44 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.42 1upa n PRO 324 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1upa n ILE 325 N -1.07 1.36 0.31 0.52 -5.35 -1.26 -4.91 119.36 108.96 1upa n ILE 325 Ca 0.13 -3.89 0.19 0.00 -0.27 0.00 0.00 62.75 58.91 1upa n ILE 325 Cb 0.29 -0.09 1.06 0.00 -1.74 0.00 0.00 39.64 39.16 1upa n ILE 325 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1upa h PRO 326 N 2.88 0.00 -0.28 6.28 0.13 -1.78 -0.12 132.00 139.11 1upa h PRO 326 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1upa h PRO 326 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1upa h PRO 326 CO 0.62 0.00 0.19 -0.09 -0.23 0.00 0.00 178.00 178.48 1upa h ARG 327 N 0.00 0.37 0.00 0.86 2.43 -1.98 -3.33 114.38 112.73 1upa h ARG 327 Ca 0.01 -0.02 -0.29 0.00 -0.81 0.00 0.00 59.98 58.87 1upa h ARG 327 Cb 0.12 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 1upa h ARG 327 CO -0.00 0.24 -2.10 0.28 -1.51 0.00 0.00 179.97 176.88 1upa n VAL 328 N -4.50 1.11 -3.86 0.20 0.31 -0.19 -4.93 118.33 106.47 1upa n VAL 328 Ca 0.01 -0.44 -0.30 0.00 -0.01 0.00 0.00 64.34 63.61 1upa n VAL 328 Cb 0.07 -1.16 -0.16 0.00 -0.91 0.00 0.00 33.84 31.69 1upa n VAL 328 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1upa s TYR 329 N -2.39 1.98 -0.63 3.52 5.04 -0.42 -4.85 117.35 119.60 1upa s TYR 329 Ca -0.25 -1.57 -0.02 0.00 -2.44 0.00 0.00 57.07 52.79 1upa s TYR 329 Cb 0.07 -1.52 0.16 0.00 0.35 0.00 0.00 41.96 41.02 1upa s TYR 329 CO 0.46 -0.75 0.44 1.03 -1.34 0.00 0.00 175.55 175.38 1upa s ARG 330 N 1.53 2.55 0.59 4.97 0.52 -1.26 -4.04 118.95 123.80 1upa s ARG 330 Ca -0.01 -2.58 -0.19 0.00 -0.52 0.00 0.00 55.73 52.42 1upa s ARG 330 Cb -0.18 -3.70 -0.04 0.00 0.52 0.00 0.00 34.95 31.55 1upa s ARG 330 CO -0.10 -1.17 1.23 -1.25 0.02 0.00 0.00 175.30 174.03 1upa s PRO 331 N -0.16 2.99 0.19 3.54 0.04 -1.26 -4.93 135.00 135.41 1upa s PRO 331 Ca 0.17 1.89 -0.09 0.00 0.04 0.00 0.00 61.00 63.01 1upa s PRO 331 Cb -0.20 -1.98 0.09 0.00 0.04 0.00 0.00 34.50 32.45 1upa s PRO 331 CO -0.03 -1.21 1.68 -0.44 0.04 0.00 0.00 177.00 177.04 1upa h ASP 332 N 0.97 1.06 -3.55 6.66 3.32 -1.75 -3.42 116.42 119.72 1upa h ASP 332 Ca -0.50 -0.27 -0.50 0.00 0.02 0.00 0.00 57.03 55.78 1upa h ASP 332 Cb 1.30 -0.28 -0.33 0.00 0.22 0.00 0.00 39.33 40.24 1upa h ASP 332 CO 0.55 1.06 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.63 1upa s VAL 333 N -5.18 1.08 -0.23 -1.35 1.01 -0.75 -5.02 120.40 109.97 1upa s VAL 333 Ca -0.12 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1upa s VAL 333 Cb 0.14 -0.98 0.04 0.00 0.00 0.00 0.00 36.38 35.58 1upa s VAL 333 CO 0.85 0.34 -0.15 -0.62 0.00 0.00 0.00 175.10 175.52 1upa s ASP 334 N 0.52 3.91 -0.46 3.32 -1.08 -1.26 -1.00 116.67 120.62 1upa s ASP 334 Ca -0.11 -1.08 -0.07 0.00 -0.52 0.00 0.00 52.55 50.76 1upa s ASP 334 Cb -0.14 -1.52 0.12 0.00 -1.46 0.00 0.00 42.92 39.91 1upa s ASP 334 CO 0.03 -0.11 0.31 -0.69 0.52 0.00 0.00 175.17 175.23 1upa s VAL 335 N 1.18 3.95 -0.57 1.11 1.01 0.11 -4.93 120.40 122.26 1upa s VAL 335 Ca -0.03 -1.88 -0.19 0.00 0.00 0.00 0.00 61.98 59.88 1upa s VAL 335 Cb -0.17 -3.63 0.10 0.00 0.00 0.00 0.00 36.38 32.68 1upa s VAL 335 CO -0.08 -0.76 0.67 -0.69 0.00 0.00 0.00 175.10 174.24 1upa s VAL 336 N 1.28 4.86 0.23 2.92 1.01 -1.26 -1.77 120.40 127.67 1upa s VAL 336 Ca 0.07 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 60.90 1upa s VAL 336 Cb -0.25 -4.44 0.06 0.00 0.00 0.00 0.00 36.38 31.76 1upa s VAL 336 CO -0.02 -1.04 0.94 0.28 0.00 0.00 0.00 175.10 175.26 1upa s THR 337 N 2.58 0.00 0.27 3.92 -1.32 -0.50 -0.92 115.64 119.67 1upa s THR 337 Ca 0.11 -0.73 -0.30 0.00 -1.21 0.00 0.00 61.69 59.56 1upa s THR 337 Cb -0.24 -2.61 -0.10 0.00 -1.51 0.00 0.00 72.50 68.05 1upa s THR 337 CO 0.07 0.00 1.38 -0.62 -2.21 0.00 0.00 174.62 173.24 1upa s ASP 338 N -3.18 6.73 0.09 8.08 2.15 -1.26 -2.01 116.67 127.27 1upa s ASP 338 Ca 0.17 2.63 -0.24 0.00 0.43 0.00 0.00 52.55 55.54 1upa s ASP 338 Cb -0.03 -2.63 -0.15 0.00 -0.30 0.00 0.00 42.92 39.81 1upa s ASP 338 CO 0.06 -0.62 1.73 0.58 -0.17 0.00 0.00 175.17 176.75 1upa h VAL 339 N 3.42 0.94 -0.79 1.11 2.07 -1.93 -0.85 116.25 120.22 1upa h VAL 339 Ca -0.47 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.14 1upa h VAL 339 Cb 1.22 0.94 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 1upa h VAL 339 CO 0.74 0.00 0.45 0.25 0.02 0.00 0.00 177.57 179.03 1upa h LEU 340 N -0.08 0.66 -0.90 2.57 5.85 -1.89 -0.87 115.31 120.64 1upa h LEU 340 Ca -0.01 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1upa h LEU 340 Cb 0.06 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1upa h LEU 340 CO 0.01 0.39 0.31 0.00 -0.34 0.00 0.00 178.44 178.82 1upa h ALA 341 N 1.43 1.13 -0.25 1.25 0.00 -1.84 -1.87 119.26 119.11 1upa h ALA 341 Ca 0.37 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1upa h ALA 341 Cb 0.31 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1upa h ALA 341 CO -0.23 0.63 0.15 0.35 0.00 0.00 0.00 179.25 180.15 1upa h PHE 342 N 1.09 0.27 -0.66 0.00 3.57 0.03 -1.75 116.94 119.49 1upa h PHE 342 Ca 0.25 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.69 1upa h PHE 342 Cb 0.19 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1upa h PHE 342 CO 0.02 0.16 0.11 0.28 -2.23 0.00 0.00 178.31 176.65 1upa h VAL 343 N 0.30 1.26 -0.47 1.41 2.07 -0.79 0.18 116.25 120.20 1upa h VAL 343 Ca 0.10 -1.03 -0.12 0.00 0.82 0.00 0.00 66.70 66.47 1upa h VAL 343 Cb -0.00 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1upa h VAL 343 CO -0.05 0.39 -0.17 -0.33 0.02 0.00 0.00 177.57 177.43 1upa h GLU 344 N 1.02 0.93 -0.37 1.57 5.08 -1.26 -0.15 114.58 121.39 1upa h GLU 344 Ca 0.20 -0.36 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 1upa h GLU 344 Cb 0.44 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1upa h GLU 344 CO 0.01 1.02 -0.11 1.25 -1.00 0.00 0.00 179.01 180.19 1upa h HIS 345 N 0.82 0.71 -0.29 4.33 2.76 -0.97 -2.98 115.15 119.51 1upa h HIS 345 Ca 0.12 -0.12 -0.18 0.00 -2.20 0.00 0.00 60.37 57.99 1upa h HIS 345 Cb 0.72 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.49 1upa h HIS 345 CO 0.04 0.73 -0.53 0.35 -1.30 0.00 0.00 177.93 177.22 1upa h PHE 346 N 0.60 1.09 -0.36 5.26 3.57 -0.56 -1.61 116.94 124.93 1upa h PHE 346 Ca 0.11 -0.38 0.04 0.00 3.53 0.00 0.00 57.97 61.27 1upa h PHE 346 Cb 0.53 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 1upa h PHE 346 CO 0.02 1.21 0.11 0.93 -2.23 0.00 0.00 178.31 178.35 1upa h GLU 347 N 0.67 0.24 -0.32 1.11 4.39 -0.99 0.82 114.58 120.51 1upa h GLU 347 Ca 0.02 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1upa h GLU 347 Cb 1.14 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.72 1upa h GLU 347 CO 0.12 0.16 0.20 1.15 -1.16 0.00 0.00 179.01 179.48 1upa h THR 348 N 0.25 1.06 0.00 1.13 2.02 -1.44 0.25 112.91 116.17 1upa h THR 348 Ca 0.16 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 67.14 1upa h THR 348 Cb 0.15 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1upa h THR 348 CO -0.18 0.07 -0.32 0.00 0.37 0.00 0.00 175.52 175.47 1upa h ALA 349 N 1.13 1.22 -0.35 6.16 0.00 -0.77 -3.06 119.26 123.58 1upa h ALA 349 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1upa h ALA 349 Cb -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1upa h ALA 349 CO -0.04 0.40 0.00 0.25 0.00 0.00 0.00 179.25 179.86 1upa n THR 350 N -3.79 1.46 -0.21 0.00 -2.24 0.23 -4.68 114.28 105.05 1upa n THR 350 Ca -0.01 -1.28 0.09 0.00 -2.27 0.00 0.00 64.05 60.58 1upa n THR 350 Cb 0.40 0.24 0.37 0.00 -2.10 0.00 0.00 70.33 69.25 1upa n THR 350 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1upa h ALA 351 N 2.17 1.78 0.00 6.98 0.00 -0.84 -1.26 119.26 128.08 1upa h ALA 351 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1upa h ALA 351 Cb 1.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1upa h ALA 351 CO 0.09 0.06 0.00 0.66 0.00 0.00 0.00 179.25 180.06 1upa h SER 352 N 0.71 0.00 -3.98 0.00 4.64 -1.84 -3.46 113.55 109.62 1upa h SER 352 Ca 0.36 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.16 1upa h SER 352 Cb 0.45 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.63 1upa h SER 352 CO -0.14 0.00 0.56 -0.36 -0.87 0.00 0.00 176.83 176.03 1upa s PHE 353 N -3.15 2.75 0.63 4.77 0.40 -0.48 -5.06 117.98 117.85 1upa s PHE 353 Ca 0.09 1.45 0.05 0.00 -0.60 0.00 0.00 56.93 57.92 1upa s PHE 353 Cb 0.09 -3.58 0.10 0.00 0.51 0.00 0.00 43.02 40.14 1upa s PHE 353 CO 0.63 -2.00 0.87 0.20 0.70 0.00 0.00 175.22 175.62 1upa s GLY 354 N -1.01 1.76 0.27 4.36 0.00 -1.26 -4.97 107.32 106.47 1upa s GLY 354 Ca 0.62 -1.91 -0.29 0.00 0.00 0.00 0.00 44.72 43.14 1upa s GLY 354 CO 0.43 -1.42 1.00 0.00 0.00 0.00 0.00 173.10 173.11 1upa s ALA 355 N -2.87 3.34 0.79 3.20 0.00 -1.26 -4.85 121.76 120.12 1upa s ALA 355 Ca 0.63 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 53.19 1upa s ALA 355 Cb -0.06 -3.25 0.07 0.00 0.00 0.00 0.00 23.12 19.88 1upa s ALA 355 CO 0.41 0.07 1.10 0.15 0.00 0.00 0.00 175.76 177.48 1upa s LYS 356 N -1.38 2.14 -0.30 0.00 -0.14 -0.38 -4.96 119.74 114.72 1upa s LYS 356 Ca 0.43 0.64 -0.22 0.00 -1.36 0.00 0.00 55.97 55.46 1upa s LYS 356 Cb -0.27 -1.92 -0.00 0.00 -1.68 0.00 0.00 37.83 33.95 1upa s LYS 356 CO 0.34 -1.58 0.73 -0.65 -0.76 0.00 0.00 175.35 173.43 1upa s GLN 357 N -5.16 3.96 0.43 1.68 -1.52 -1.26 -4.76 119.66 113.03 1upa s GLN 357 Ca 0.61 0.51 -0.22 0.00 -1.95 0.00 0.00 55.36 54.31 1upa s GLN 357 Cb -0.14 -3.72 -0.10 0.00 -0.22 0.00 0.00 33.01 28.83 1upa s GLN 357 CO 0.54 -0.62 0.97 -0.98 -0.25 0.00 0.00 175.29 174.96 1upa s ARG 358 N 2.81 4.19 0.64 2.91 1.70 -1.26 -4.60 118.95 125.33 1upa s ARG 358 Ca 0.30 1.22 -0.13 0.00 -0.47 0.00 0.00 55.73 56.65 1upa s ARG 358 Cb -0.15 -2.26 -0.02 0.00 -0.57 0.00 0.00 34.95 31.95 1upa s ARG 358 CO 0.12 -0.08 1.04 -3.38 -1.08 0.00 0.00 175.30 171.92 1upa s HIS 359 N -2.04 3.23 -0.31 5.89 -3.43 -1.26 -5.01 115.29 112.37 1upa s HIS 359 Ca 0.61 1.42 -0.16 0.00 -0.80 0.00 0.00 55.06 56.13 1upa s HIS 359 Cb -0.12 -2.86 -0.02 0.00 -1.43 0.00 0.00 32.58 28.14 1upa s HIS 359 CO 0.17 -0.99 0.43 0.34 -2.00 0.00 0.00 174.74 172.69 1upa s ASP 360 N -3.57 6.28 -0.14 7.38 -1.08 -1.26 -4.92 116.67 119.36 1upa s ASP 360 Ca 0.59 0.10 0.19 0.00 -0.52 0.00 0.00 52.55 52.90 1upa s ASP 360 Cb -0.13 -2.23 0.32 0.00 -1.46 0.00 0.00 42.92 39.41 1upa s ASP 360 CO 0.48 -0.32 1.19 2.30 0.52 0.00 0.00 175.17 179.33 1upa n ILE 361 N 5.25 1.94 -0.21 4.11 -5.35 -1.26 -4.82 119.36 119.01 1upa n ILE 361 Ca -0.07 -2.20 0.11 0.00 -0.27 0.00 0.00 62.75 60.32 1upa n ILE 361 Cb 0.50 -0.23 0.41 0.00 -1.74 0.00 0.00 39.64 38.57 1upa n ILE 361 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1upa h GLU 362 N 0.25 0.60 -0.91 6.28 4.39 -1.97 -1.95 114.58 121.27 1upa h GLU 362 Ca 0.00 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.68 1upa h GLU 362 Cb 1.06 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.52 1upa h GLU 362 CO 0.03 0.40 0.60 -1.35 -1.16 0.00 0.00 179.01 177.53 1upa h PRO 363 N 0.62 1.17 -0.30 2.33 0.11 -2.00 0.44 132.00 134.37 1upa h PRO 363 Ca 0.38 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 66.34 1upa h PRO 363 Cb 0.63 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1upa h PRO 363 CO -0.15 0.77 -0.14 1.25 -0.21 0.00 0.00 178.00 179.52 1upa h LEU 364 N 1.20 0.65 -1.08 2.35 5.85 -1.77 -2.45 115.31 120.07 1upa h LEU 364 Ca 0.34 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1upa h LEU 364 Cb -0.09 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 1upa h LEU 364 CO -0.08 0.91 0.49 0.03 -0.34 0.00 0.00 178.44 179.45 1upa h ARG 365 N 0.39 1.13 -0.61 1.25 3.08 -0.98 -1.08 114.38 117.56 1upa h ARG 365 Ca 0.07 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1upa h ARG 365 Cb 0.66 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1upa h ARG 365 CO 0.04 0.79 0.22 0.00 -1.07 0.00 0.00 179.97 179.95 1upa h ALA 366 N 1.40 0.80 -0.27 0.04 0.00 -0.84 -1.14 119.26 119.25 1upa h ALA 366 Ca 0.30 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1upa h ALA 366 Cb -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1upa h ALA 366 CO -0.05 0.44 0.09 -0.09 0.00 0.00 0.00 179.25 179.64 1upa h ARG 367 N 0.86 0.42 -0.75 0.00 9.65 -0.95 -0.38 114.38 123.23 1upa h ARG 367 Ca 0.20 -0.09 0.04 0.00 -1.10 0.00 0.00 59.98 59.03 1upa h ARG 367 Cb 0.25 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.72 1upa h ARG 367 CO -0.01 0.47 0.47 0.82 2.80 0.00 0.00 179.97 184.51 1upa h ILE 368 N 0.28 1.08 -0.23 1.20 2.04 -1.10 -1.50 117.51 119.28 1upa h ILE 368 Ca 0.09 -0.31 -0.11 0.00 1.00 0.00 0.00 64.86 65.53 1upa h ILE 368 Cb 0.22 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1upa h ILE 368 CO -0.00 0.16 -0.35 0.00 0.00 0.00 0.00 178.15 177.96 1upa h ALA 369 N 1.33 0.98 -0.60 1.87 0.00 -0.92 -1.73 119.26 120.20 1upa h ALA 369 Ca 0.31 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1upa h ALA 369 Cb 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1upa h ALA 369 CO -0.13 0.61 0.11 1.49 0.00 0.00 0.00 179.25 181.33 1upa h GLU 370 N 0.41 0.98 -0.27 0.00 4.81 -0.71 -0.64 114.58 119.16 1upa h GLU 370 Ca 0.05 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1upa h GLU 370 Cb 0.80 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1upa h GLU 370 CO 0.06 0.92 0.14 0.74 -0.73 0.00 0.00 179.01 180.15 1upa h PHE 371 N 0.89 0.38 -0.04 0.92 -1.00 -0.91 -2.34 116.94 114.85 1upa h PHE 371 Ca 0.18 -0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.90 1upa h PHE 371 Cb 0.40 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 1upa h PHE 371 CO 0.03 0.34 -0.20 -0.07 -1.61 0.00 0.00 178.31 176.80 1upa h LEU 372 N 0.32 0.05 -0.47 1.54 3.38 -1.04 -2.72 115.31 116.37 1upa h LEU 372 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1upa h LEU 372 Cb 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1upa h LEU 372 CO -0.01 0.26 -0.33 0.00 0.09 0.00 0.00 178.44 178.45 1upa n ALA 373 N -2.50 3.22 -1.10 1.53 0.00 -0.27 -4.78 120.51 116.61 1upa n ALA 373 Ca -0.02 -0.43 -0.43 0.00 0.00 0.00 0.00 53.44 52.56 1upa n ALA 373 Cb 0.27 -1.09 -0.11 0.00 0.00 0.00 0.00 19.45 18.53 1upa n ALA 373 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1upa n ASP 374 N -0.71 0.47 -0.10 0.00 -0.08 -0.89 -4.80 116.55 110.44 1upa n ASP 374 Ca 0.11 0.40 0.12 0.00 -1.51 0.00 0.00 54.79 53.91 1upa n ASP 374 Cb 0.36 -0.75 0.27 0.00 2.34 0.00 0.00 41.12 43.35 1upa n ASP 374 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1upa n PRO 375 N 6.47 0.32 -1.49 -0.67 -0.04 -1.26 -4.93 135.00 133.41 1upa n PRO 375 Ca 0.49 -0.20 -0.35 0.00 -0.04 0.00 0.00 63.50 63.40 1upa n PRO 375 Cb -0.01 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.04 1upa n PRO 375 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1upa s GLU 376 N -2.81 2.18 -0.15 0.54 2.12 -1.26 -5.03 118.70 114.29 1upa s GLU 376 Ca 0.16 1.93 -0.04 0.00 0.36 0.00 0.00 54.97 57.37 1upa s GLU 376 Cb 0.18 -1.82 -0.03 0.00 0.26 0.00 0.00 34.13 32.72 1upa s GLU 376 CO 0.64 -1.85 0.00 0.99 -0.54 0.00 0.00 175.26 174.50 1upa s THR 377 N -1.72 4.25 -0.04 -1.70 2.01 -1.26 -5.03 115.64 112.16 1upa s THR 377 Ca 0.78 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.56 1upa s THR 377 Cb -0.34 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 1upa s THR 377 CO 0.44 0.51 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.53 1upa s TYR 378 N 0.06 2.98 0.08 4.92 1.51 -1.26 -5.03 117.35 120.60 1upa s TYR 378 Ca 0.02 0.04 -0.19 0.00 -1.01 0.00 0.00 57.07 55.93 1upa s TYR 378 Cb -0.13 -1.68 -0.10 0.00 -0.11 0.00 0.00 41.96 39.94 1upa s TYR 378 CO 0.02 0.39 1.51 1.05 -1.11 0.00 0.00 175.55 177.41 1upa h GLU 379 N 4.84 0.38 0.00 -0.62 9.09 -2.02 -3.40 114.58 122.85 1upa h GLU 379 Ca -0.49 -0.12 0.00 0.00 0.05 0.00 0.00 59.36 58.80 1upa h GLU 379 Cb 1.17 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.24 1upa h GLU 379 CO 0.54 0.57 0.00 -0.40 0.05 0.00 0.00 179.01 179.76 1upa n ASP 380 N -4.68 0.00 0.00 3.06 5.68 -1.26 -5.19 116.55 114.16 1upa n ASP 380 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.25 1upa n ASP 380 Cb 0.23 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 1upa n ASP 380 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1upa n GLY 381 N 0.00 0.79 3.24 6.12 0.00 -1.26 -5.02 105.19 109.05 1upa n GLY 381 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1upa n GLY 381 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upa s ARG 383 N 0.14 1.11 0.31 1.61 1.81 -1.26 -4.41 118.95 118.26 1upa s ARG 383 Ca 0.00 -1.01 0.01 0.00 -1.72 0.00 0.00 55.73 53.01 1upa s ARG 383 Cb 0.00 -1.26 0.50 0.00 -0.45 0.00 0.00 34.95 33.74 1upa s ARG 383 CO 0.00 0.30 1.85 0.28 -0.68 0.00 0.00 175.30 177.06 1upa h VAL 384 N 4.24 1.21 -0.89 3.52 2.07 -1.98 -1.60 116.25 122.82 1upa h VAL 384 Ca -0.43 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.32 1upa h VAL 384 Cb 1.18 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 1upa h VAL 384 CO 0.41 0.28 0.59 1.12 0.02 0.00 0.00 177.57 180.00 1upa h HIS 385 N 0.67 1.12 -0.37 1.57 2.07 -1.95 0.35 115.15 118.60 1upa h HIS 385 Ca 0.15 0.03 -0.10 0.00 -2.85 0.00 0.00 60.37 57.60 1upa h HIS 385 Cb 0.29 -0.38 -0.02 0.00 2.57 0.00 0.00 27.41 29.88 1upa h HIS 385 CO 0.01 0.71 -0.17 1.96 -3.07 0.00 0.00 177.93 177.37 1upa h GLN 386 N 1.21 0.69 -0.35 5.12 4.20 -1.56 -0.55 115.11 123.88 1upa h GLN 386 Ca 0.33 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1upa h GLN 386 Cb -0.14 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1upa h GLN 386 CO -0.07 0.82 0.16 0.28 -0.67 0.00 0.00 178.83 179.35 1upa h VAL 387 N 0.62 1.17 -0.27 -0.54 2.07 -0.63 -2.36 116.25 116.30 1upa h VAL 387 Ca 0.10 -0.48 -0.18 0.00 0.82 0.00 0.00 66.70 66.95 1upa h VAL 387 Cb 0.63 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1upa h VAL 387 CO 0.04 0.18 -0.55 0.40 0.02 0.00 0.00 177.57 177.66 1upa h ILE 388 N 0.42 1.28 -0.93 4.57 2.04 -0.70 -2.73 117.51 121.46 1upa h ILE 388 Ca 0.12 -1.74 0.12 0.00 1.00 0.00 0.00 64.86 64.36 1upa h ILE 388 Cb 0.13 1.65 -0.08 0.00 -0.74 0.00 0.00 36.82 37.78 1upa h ILE 388 CO -0.01 0.57 0.56 -0.78 0.00 0.00 0.00 178.15 178.48 1upa h ASP 389 N 0.63 0.80 0.00 1.72 3.58 -1.08 0.17 116.42 122.23 1upa h ASP 389 Ca 0.01 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1upa h ASP 389 Cb 1.15 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.10 1upa h ASP 389 CO 0.12 0.41 0.00 -1.20 -2.88 0.00 0.00 179.24 175.69 1upa n SER 390 N -4.70 0.76 0.00 2.28 7.64 -0.89 -1.83 113.62 116.88 1upa n SER 390 Ca 0.18 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.32 1upa n SER 390 Cb 0.36 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1upa n SER 390 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1upa n ASN 392 N 0.59 0.00 -0.20 6.43 3.02 0.59 -2.28 115.26 123.41 1upa n ASN 392 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 1upa n ASN 392 Cb 0.14 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.34 1upa n ASN 392 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1upa h THR 393 N 0.00 1.18 0.00 3.41 2.02 -1.62 -0.02 112.91 117.88 1upa h THR 393 Ca 0.00 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1upa h THR 393 Cb 0.00 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1upa h THR 393 CO 0.00 0.20 0.00 0.52 0.37 0.00 0.00 175.52 176.61 1upa n VAL 394 N -4.61 1.30 0.00 3.16 0.31 -0.96 -2.40 118.33 115.12 1upa n VAL 394 Ca 0.03 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1upa n VAL 394 Cb 0.08 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 1upa n VAL 394 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1upa n GLU 396 N 0.94 0.00 -0.09 5.55 2.13 -0.02 -1.09 120.64 128.05 1upa n GLU 396 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 1upa n GLU 396 Cb 0.46 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.14 1upa n GLU 396 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1upa h GLU 397 N 0.00 0.91 0.00 5.31 5.08 -1.73 -3.36 114.58 120.79 1upa h GLU 397 Ca 0.00 -0.54 -0.24 0.00 -1.00 0.00 0.00 59.36 57.57 1upa h GLU 397 Cb 0.00 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1upa h GLU 397 CO 0.00 1.18 -1.31 0.00 -1.00 0.00 0.00 179.01 177.89 1upa h ALA 398 N 0.72 0.54 -2.66 3.43 0.00 -1.40 -3.46 119.26 116.43 1upa h ALA 398 Ca 0.03 -1.15 -0.58 0.00 0.00 0.00 0.00 54.91 53.21 1upa h ALA 398 Cb 1.10 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1upa h ALA 398 CO 0.11 1.39 -0.23 0.00 0.00 0.00 0.00 179.25 180.53 1upa s ALA 399 N -2.66 3.71 0.83 0.00 0.00 -1.26 -4.81 121.76 117.57 1upa s ALA 399 Ca -0.01 -0.36 -0.13 0.00 0.00 0.00 0.00 51.96 51.45 1upa s ALA 399 Cb 0.09 -2.29 0.06 0.00 0.00 0.00 0.00 23.12 20.98 1upa s ALA 399 CO 0.82 0.56 0.96 0.39 0.00 0.00 0.00 175.76 178.49 1upa n GLU 400 N 0.78 0.06 -1.72 0.00 -0.58 -1.26 -4.88 120.64 113.04 1upa n GLU 400 Ca -0.07 0.09 -0.43 0.00 -0.42 0.00 0.00 57.16 56.33 1upa n GLU 400 Cb 0.52 -2.24 -0.02 0.00 -0.57 0.00 0.00 31.44 29.14 1upa n GLU 400 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1upa n PRO 401 N -2.70 2.45 -1.14 3.49 -0.02 -1.26 -1.98 135.00 133.83 1upa n PRO 401 Ca 0.12 0.87 -0.05 0.00 -2.02 0.00 0.00 63.50 62.42 1upa n PRO 401 Cb 0.51 -2.59 -0.02 0.00 -0.02 0.00 0.00 33.50 31.38 1upa n PRO 401 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1upa n GLY 402 N 1.81 0.74 3.45 -1.23 0.00 -1.26 -5.02 105.19 103.68 1upa n GLY 402 Ca 0.08 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 1upa n GLY 402 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upa s GLU 403 N -2.00 1.68 0.00 1.61 2.02 -0.84 -4.52 118.70 116.65 1upa s GLU 403 Ca 0.00 -1.95 0.00 0.00 0.02 0.00 0.00 54.97 53.04 1upa s GLU 403 Cb 0.00 -0.76 0.00 0.00 0.10 0.00 0.00 34.13 33.47 1upa s GLU 403 CO 0.00 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.44 1upa n GLY 404 N -0.70 1.49 2.72 -1.39 0.00 -1.26 -4.75 105.19 101.30 1upa n GLY 404 Ca -0.03 -1.74 -0.17 0.00 0.00 0.00 0.00 46.02 44.08 1upa n GLY 404 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1upa s THR 405 N -2.59 -0.09 -0.21 2.61 2.01 -0.66 -4.64 115.64 112.07 1upa s THR 405 Ca 0.00 0.32 -0.08 0.00 0.31 0.00 0.00 61.69 62.24 1upa s THR 405 Cb 0.00 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.35 1upa s THR 405 CO 0.00 0.13 0.10 -0.63 -0.69 0.00 0.00 174.62 173.53 1upa s ILE 406 N 1.62 4.93 -0.01 1.82 1.01 -0.16 -1.26 121.20 129.17 1upa s ILE 406 Ca -0.02 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.67 1upa s ILE 406 Cb -0.12 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 1upa s ILE 406 CO -0.03 0.41 -0.03 -0.69 0.00 0.00 0.00 174.94 174.60 1upa s VAL 407 N 0.75 3.97 -0.05 2.92 1.01 0.17 -0.73 120.40 128.44 1upa s VAL 407 Ca 0.05 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1upa s VAL 407 Cb -0.13 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.52 1upa s VAL 407 CO 0.02 0.41 -0.10 -0.55 0.00 0.00 0.00 175.10 174.88 1upa s SER 408 N -1.42 1.50 0.51 3.32 0.15 0.01 -0.39 113.70 117.38 1upa s SER 408 Ca 0.18 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1upa s SER 408 Cb -0.11 -0.62 0.00 0.00 -1.71 0.00 0.00 66.02 63.58 1upa s SER 408 CO 0.08 0.03 0.00 -0.67 1.20 0.00 0.00 173.24 173.88 1upa n ASP 409 N 3.69 -0.22 -4.57 5.45 -0.08 -0.49 -4.45 116.55 115.88 1upa n ASP 409 Ca -0.22 -0.40 -0.33 0.00 -1.51 0.00 0.00 54.79 52.33 1upa n ASP 409 Cb 0.52 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.87 1upa n ASP 409 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1upa s ILE 410 N -0.51 3.57 -5.00 5.18 -1.09 -1.26 -4.63 121.20 117.46 1upa s ILE 410 Ca 0.00 -0.62 0.00 0.00 -2.23 0.00 0.00 60.65 57.80 1upa s ILE 410 Cb 0.00 -2.48 0.00 0.00 -1.58 0.00 0.00 42.46 38.40 1upa s ILE 410 CO 0.00 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 174.85 1upa n GLY 411 N 2.01 -2.02 0.33 6.18 0.00 -1.26 -4.61 105.19 105.83 1upa n GLY 411 Ca -0.17 -1.38 -0.05 0.00 0.00 0.00 0.00 46.02 44.42 1upa n GLY 411 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1upa h PHE 412 N 0.00 1.14 -0.04 1.61 3.57 -1.94 -2.20 116.94 119.09 1upa h PHE 412 Ca 0.00 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.48 1upa h PHE 412 Cb 0.00 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.37 1upa h PHE 412 CO 0.00 0.80 0.03 0.27 -2.23 0.00 0.00 178.31 177.18 1upa h PHE 413 N 1.15 0.00 -0.92 0.41 -0.00 -1.96 -2.16 116.94 113.46 1upa h PHE 413 Ca 0.29 0.00 0.04 0.00 -0.00 0.00 0.00 57.97 58.30 1upa h PHE 413 Cb 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 35.93 1upa h PHE 413 CO 0.01 0.00 0.60 -0.09 -0.00 0.00 0.00 178.31 178.83 1upa h ARG 414 N 0.00 1.11 0.00 6.09 1.12 -1.65 -1.10 114.38 119.95 1upa h ARG 414 Ca 0.02 -0.07 -0.04 0.00 -1.11 0.00 0.00 59.98 58.78 1upa h ARG 414 Cb 0.09 -0.25 -0.01 0.00 -0.01 0.00 0.00 29.97 29.79 1upa h ARG 414 CO -0.00 0.74 -0.18 0.45 -3.11 0.00 0.00 179.97 177.86 1upa h HIS 415 N 1.15 0.00 -0.48 2.20 3.86 -1.50 -0.65 115.15 119.73 1upa h HIS 415 Ca 0.37 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.51 1upa h HIS 415 Cb 0.03 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1upa h HIS 415 CO -0.00 0.18 0.05 1.88 0.86 0.00 0.00 177.93 180.90 1upa h TYR 416 N 0.00 0.88 -0.72 2.45 -1.99 -1.44 -2.71 116.97 113.44 1upa h TYR 416 Ca -0.00 -0.14 0.10 0.00 2.00 0.00 0.00 58.73 60.69 1upa h TYR 416 Cb 0.88 -0.24 -0.07 0.00 2.00 0.00 0.00 36.73 39.30 1upa h TYR 416 CO 0.00 0.82 0.35 0.78 -0.00 0.00 0.00 178.16 180.12 1upa h GLY 417 N 0.68 1.09 1.03 3.88 0.00 -0.06 0.18 103.07 109.88 1upa h GLY 417 Ca 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1upa h GLY 417 CO 0.02 0.04 0.39 -2.08 0.00 0.00 0.00 176.54 174.90 1upa h VAL 418 N 0.59 1.25 0.03 4.60 2.07 -1.08 -0.34 116.25 123.37 1upa h VAL 418 Ca 0.36 -0.72 -0.25 0.00 0.82 0.00 0.00 66.70 66.92 1upa h VAL 418 Cb 0.41 0.22 0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1upa h VAL 418 CO -0.29 0.31 -1.04 -0.07 0.02 0.00 0.00 177.57 176.50 1upa h LEU 419 N 1.15 0.64 0.00 2.57 3.38 -1.13 -3.42 115.31 118.50 1upa h LEU 419 Ca 0.28 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 1upa h LEU 419 Cb 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1upa h LEU 419 CO -0.03 1.35 -1.36 0.49 0.09 0.00 0.00 178.44 178.98 1upa n PHE 420 N -3.75 0.00 -2.33 1.13 3.72 0.60 -4.94 117.46 111.91 1upa n PHE 420 Ca -0.09 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.91 1upa n PHE 420 Cb 0.89 -0.23 -0.03 0.00 -0.94 0.00 0.00 39.48 39.17 1upa n PHE 420 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1upa s ALA 421 N -2.28 3.45 0.24 4.37 0.00 -0.15 -4.85 121.76 122.53 1upa s ALA 421 Ca -0.03 1.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 1upa s ALA 421 Cb 0.03 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 1upa s ALA 421 CO 0.25 -0.38 1.36 0.50 0.00 0.00 0.00 175.76 177.49 1upa s ARG 422 N -1.14 4.34 -0.19 0.00 3.52 -1.26 -4.97 118.95 119.26 1upa s ARG 422 Ca 0.49 2.17 -0.05 0.00 -0.13 0.00 0.00 55.73 58.21 1upa s ARG 422 Cb -0.35 -3.15 0.07 0.00 -1.56 0.00 0.00 34.95 29.97 1upa s ARG 422 CO 0.43 -0.30 0.12 0.00 -0.81 0.00 0.00 175.30 174.74 1upa s ALA 423 N -0.10 0.30 -1.14 6.12 0.00 -1.26 -4.61 121.76 121.07 1upa s ALA 423 Ca 0.57 -0.28 0.15 0.00 0.00 0.00 0.00 51.96 52.39 1upa s ALA 423 Cb -0.39 -1.13 0.45 0.00 0.00 0.00 0.00 23.12 22.04 1upa s ALA 423 CO 0.42 -1.23 1.37 -3.47 0.00 0.00 0.00 175.76 172.85 1upa n ASP 424 N 5.28 3.42 -3.84 0.00 2.03 -1.26 -4.02 116.55 118.17 1upa n ASP 424 Ca -0.07 -2.12 -0.09 0.00 0.52 0.00 0.00 54.79 53.04 1upa n ASP 424 Cb 0.48 -0.35 -0.04 0.00 -0.72 0.00 0.00 41.12 40.50 1upa n ASP 424 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1upa s GLN 425 N -1.22 1.54 0.30 -0.67 -2.07 -1.25 -4.25 119.66 112.04 1upa s GLN 425 Ca 0.34 -1.00 -0.30 0.00 -1.82 0.00 0.00 55.36 52.58 1upa s GLN 425 Cb 0.19 0.53 -0.12 0.00 -1.09 0.00 0.00 33.01 32.52 1upa s GLN 425 CO 0.20 -0.67 1.50 -2.30 -1.32 0.00 0.00 175.29 172.71 1upa n PRO 426 N -0.39 2.47 -2.17 9.60 -0.02 -1.08 -1.16 135.00 142.26 1upa n PRO 426 Ca -0.06 0.88 -0.21 0.00 -2.02 0.00 0.00 63.50 62.08 1upa n PRO 426 Cb 0.61 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 1upa n PRO 426 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1upa n PHE 427 N 1.63 -0.71 0.32 6.00 3.72 -1.25 -4.85 117.46 122.32 1upa n PHE 427 Ca 0.08 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.60 1upa n PHE 427 Cb 0.36 -3.83 0.27 0.00 -0.94 0.00 0.00 39.48 35.33 1upa n PHE 427 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1upa h GLY 428 N 0.00 0.00 -6.36 1.37 0.00 -1.30 -3.40 103.07 93.38 1upa h GLY 428 Ca -0.48 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.23 1upa h GLY 428 CO 0.60 0.00 -0.84 -0.12 0.00 0.00 0.00 176.54 176.18 1upa s PHE 429 N -3.23 2.42 -0.19 5.60 5.36 -1.26 -0.98 117.98 125.70 1upa s PHE 429 Ca 0.07 -1.43 -0.01 0.00 -0.96 0.00 0.00 56.93 54.61 1upa s PHE 429 Cb 0.07 -1.71 0.01 0.00 -0.34 0.00 0.00 43.02 41.04 1upa s PHE 429 CO 0.64 -0.73 -0.14 -1.17 -1.46 0.00 0.00 175.22 172.36 1upa s LEU 430 N 1.40 2.45 0.24 6.12 2.96 0.10 -4.65 118.68 127.30 1upa s LEU 430 Ca 0.04 -0.53 -0.12 0.00 -0.22 0.00 0.00 54.13 53.30 1upa s LEU 430 Cb -0.13 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 1upa s LEU 430 CO -0.11 0.01 0.44 0.28 -1.32 0.00 0.00 176.35 175.65 1upa s THR 431 N 1.26 0.00 -0.43 3.68 -1.32 -1.26 -0.81 115.64 116.76 1upa s THR 431 Ca 0.03 -1.47 -0.20 0.00 -1.21 0.00 0.00 61.69 58.84 1upa s THR 431 Cb -0.14 -2.24 0.02 0.00 -1.51 0.00 0.00 72.50 68.64 1upa s THR 431 CO -0.07 0.00 0.59 -0.55 -2.21 0.00 0.00 174.62 172.38 1upa s SER 432 N -3.03 6.29 -0.12 8.08 0.15 -1.26 -4.88 113.70 118.92 1upa s SER 432 Ca 0.24 -0.41 -0.05 0.00 0.70 0.00 0.00 55.95 56.43 1upa s SER 432 Cb 0.00 -2.29 -0.26 0.00 -1.71 0.00 0.00 66.02 61.76 1upa s SER 432 CO 0.09 -0.72 0.35 0.00 1.20 0.00 0.00 173.24 174.16 1upa n ALA 433 N 6.08 0.95 0.02 5.45 0.00 -1.26 -3.31 120.51 128.44 1upa n ALA 433 Ca -0.03 -0.63 -0.22 0.00 0.00 0.00 0.00 53.44 52.56 1upa n ALA 433 Cb 0.48 -0.66 -0.14 0.00 0.00 0.00 0.00 19.45 19.13 1upa n ALA 433 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1upa h GLY 434 N 1.29 0.32 0.08 0.00 0.00 -1.73 -3.43 103.07 99.60 1upa h GLY 434 Ca -0.43 -0.82 -0.36 0.00 0.00 0.00 0.00 47.33 45.72 1upa h GLY 434 CO 0.08 0.72 -1.99 0.00 0.00 0.00 0.00 176.54 175.35 1upa n SER 436 N -4.11 -2.35 -4.72 0.00 7.64 -1.21 -4.97 113.62 103.90 1upa n SER 436 Ca -0.42 -0.78 -0.42 0.00 1.01 0.00 0.00 58.87 58.26 1upa n SER 436 Cb 0.84 -4.18 -0.03 0.00 -1.01 0.00 0.00 64.21 59.83 1upa n SER 436 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1upa s SER 437 N -4.07 7.13 0.75 6.43 0.15 -1.26 -4.94 113.70 117.88 1upa s SER 437 Ca 0.18 2.03 -0.14 0.00 0.70 0.00 0.00 55.95 58.73 1upa s SER 437 Cb -0.09 -2.59 0.05 0.00 -1.71 0.00 0.00 66.02 61.68 1upa s SER 437 CO 0.80 -0.41 1.17 0.72 1.20 0.00 0.00 173.24 176.73 1upa s PHE 438 N 0.72 2.13 0.00 3.44 -0.71 -1.26 -2.84 117.98 119.46 1upa s PHE 438 Ca 0.56 1.62 0.00 0.00 -1.04 0.00 0.00 56.93 58.07 1upa s PHE 438 Cb -0.29 -3.37 0.00 0.00 -1.21 0.00 0.00 43.02 38.15 1upa s PHE 438 CO 0.31 -2.42 0.00 0.41 -1.34 0.00 0.00 175.22 172.18 1upa n GLY 439 N 0.09 0.86 0.27 1.99 0.00 -1.01 -4.91 105.19 102.47 1upa n GLY 439 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.21 1upa n GLY 439 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1upa h TYR 440 N 0.00 0.12 0.25 1.61 3.20 -1.82 -3.35 116.97 116.98 1upa h TYR 440 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1upa h TYR 440 Cb 0.00 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 1upa h TYR 440 CO 0.00 0.11 -0.24 0.78 -1.64 0.00 0.00 178.16 177.17 1upa h GLY 441 N 0.22 -0.54 0.95 1.82 0.00 -1.88 -0.92 103.07 102.72 1upa h GLY 441 Ca 0.03 0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 1upa h GLY 441 CO -0.00 -0.22 -0.13 -2.22 0.00 0.00 0.00 176.54 173.96 1upa h ILE 442 N -0.52 0.75 -0.49 2.60 2.04 -1.91 -0.12 117.51 119.85 1upa h ILE 442 Ca -0.01 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1upa h ILE 442 Cb 0.48 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1upa h ILE 442 CO -0.05 0.03 0.32 1.55 0.00 0.00 0.00 178.15 179.99 1upa h PRO 443 N -0.43 0.65 -0.50 2.37 0.13 -1.76 -0.23 132.00 132.25 1upa h PRO 443 Ca -0.04 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 64.94 1upa h PRO 443 Cb 0.32 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.29 1upa h PRO 443 CO 0.06 0.44 -0.13 0.00 -0.23 0.00 0.00 178.00 178.15 1upa h ALA 444 N 1.68 0.68 -0.58 -0.56 0.00 -0.98 -1.04 119.26 118.46 1upa h ALA 444 Ca 0.18 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1upa h ALA 444 Cb -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1upa h ALA 444 CO -0.04 0.60 0.09 0.00 0.00 0.00 0.00 179.25 179.91 1upa h ALA 445 N 0.89 1.08 0.47 0.00 0.00 -0.60 0.11 119.26 121.22 1upa h ALA 445 Ca 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1upa h ALA 445 Cb 0.69 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1upa h ALA 445 CO 0.05 0.60 -0.23 0.82 0.00 0.00 0.00 179.25 180.49 1upa h ILE 446 N 0.88 0.54 -0.94 0.00 2.04 -0.79 -0.55 117.51 118.68 1upa h ILE 446 Ca 0.18 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 66.05 1upa h ILE 446 Cb 0.39 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 1upa h ILE 446 CO 0.01 0.01 0.61 1.23 0.00 0.00 0.00 178.15 180.00 1upa h GLY 447 N -0.66 1.40 1.04 5.37 0.00 -1.03 -2.92 103.07 106.28 1upa h GLY 447 Ca -0.06 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.72 1upa h GLY 447 CO 0.11 0.36 0.00 0.00 0.00 0.00 0.00 176.54 177.01 1upa h ALA 448 N 1.41 0.74 0.00 3.60 0.00 -0.60 -1.00 119.26 123.41 1upa h ALA 448 Ca 0.39 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1upa h ALA 448 Cb 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1upa h ALA 448 CO -0.15 0.57 0.00 0.94 0.00 0.00 0.00 179.25 180.61 1upa n GLN 449 N -4.26 0.67 0.00 0.00 -0.06 -0.23 -1.12 117.38 112.38 1upa n GLN 449 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.02 1upa n GLN 449 Cb 0.33 -1.19 0.00 0.00 -4.06 0.00 0.00 30.24 25.32 1upa n GLN 449 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1upa n ALA 451 N 0.60 0.00 -3.28 1.69 0.00 -0.38 -2.30 120.51 116.84 1upa n ALA 451 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1upa n ALA 451 Cb 0.31 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.69 1upa n ALA 451 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1upa n ARG 452 N 0.00 1.88 0.20 0.00 1.74 -0.28 -4.98 116.66 115.22 1upa n ARG 452 Ca 0.00 -4.11 0.16 0.00 -0.77 0.00 0.00 57.85 53.13 1upa n ARG 452 Cb 0.00 -1.86 0.80 0.00 -1.02 0.00 0.00 32.46 30.38 1upa n ARG 452 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1upa h PRO 453 N 3.92 0.00 -0.34 5.56 0.13 -1.73 -1.91 132.00 137.63 1upa h PRO 453 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1upa h PRO 453 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1upa h PRO 453 CO 0.69 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.21 1upa n ASP 454 N -3.95 2.91 -4.87 1.44 8.00 -1.26 -4.99 116.55 113.83 1upa n ASP 454 Ca 0.01 -1.94 -0.32 0.00 0.71 0.00 0.00 54.79 53.25 1upa n ASP 454 Cb 0.30 -0.23 -0.05 0.00 -0.02 0.00 0.00 41.12 41.12 1upa n ASP 454 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1upa s GLN 455 N -1.00 3.29 0.25 -1.24 -0.21 -0.72 -5.01 119.66 115.01 1upa s GLN 455 Ca 0.24 -0.42 -0.30 0.00 0.02 0.00 0.00 55.36 54.91 1upa s GLN 455 Cb 0.13 -2.99 -0.09 0.00 1.00 0.00 0.00 33.01 31.05 1upa s GLN 455 CO 0.17 0.65 1.27 -2.14 -2.12 0.00 0.00 175.29 173.12 1upa s PRO 456 N -2.05 4.42 -0.21 2.91 0.02 -1.26 -4.92 135.00 133.92 1upa s PRO 456 Ca 0.28 2.06 0.01 0.00 0.02 0.00 0.00 61.00 63.36 1upa s PRO 456 Cb -0.12 -3.16 0.05 0.00 0.02 0.00 0.00 34.50 31.28 1upa s PRO 456 CO 0.20 -0.16 -0.09 0.99 -0.33 0.00 0.00 177.00 177.61 1upa s THR 457 N -0.42 1.59 -0.03 0.99 2.01 -1.26 -1.66 115.64 116.86 1upa s THR 457 Ca 0.53 -1.06 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1upa s THR 457 Cb -0.37 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 1upa s THR 457 CO 0.43 0.08 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.04 1upa s PHE 458 N 1.40 2.99 -0.04 4.92 0.40 -0.39 -1.69 117.98 125.58 1upa s PHE 458 Ca -0.03 0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.41 1upa s PHE 458 Cb -0.17 -1.68 -0.01 0.00 0.51 0.00 0.00 43.02 41.66 1upa s PHE 458 CO -0.07 0.40 -0.23 -1.17 0.70 0.00 0.00 175.22 174.84 1upa s LEU 459 N -1.18 2.04 -0.08 -0.37 2.96 0.54 0.46 118.68 123.06 1upa s LEU 459 Ca 0.16 -0.45 0.05 0.00 -0.22 0.00 0.00 54.13 53.67 1upa s LEU 459 Cb -0.11 -1.25 -0.01 0.00 0.50 0.00 0.00 46.19 45.32 1upa s LEU 459 CO 0.05 0.26 -0.24 -0.51 -1.32 0.00 0.00 176.35 174.59 1upa s ILE 460 N -0.32 2.01 -0.02 6.68 2.07 0.48 -0.56 121.20 131.54 1upa s ILE 460 Ca 0.02 -1.02 -0.06 0.00 -1.41 0.00 0.00 60.65 58.18 1upa s ILE 460 Cb -0.11 -1.72 0.01 0.00 0.13 0.00 0.00 42.46 40.76 1upa s ILE 460 CO 0.01 0.56 0.14 0.00 -1.91 0.00 0.00 174.94 173.74 1upa s ALA 461 N 0.07 -0.34 0.62 1.50 0.00 -0.68 -1.40 121.76 121.54 1upa s ALA 461 Ca -0.10 0.09 -0.07 0.00 0.00 0.00 0.00 51.96 51.88 1upa s ALA 461 Cb -0.16 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.94 1upa s ALA 461 CO 0.06 -0.15 0.95 0.20 0.00 0.00 0.00 175.76 176.82 1upa s GLY 462 N -0.77 1.62 0.23 0.00 0.00 -1.26 -0.63 107.32 106.50 1upa s GLY 462 Ca -0.09 -0.64 -0.05 0.00 0.00 0.00 0.00 44.72 43.94 1upa s GLY 462 CO 0.01 -0.33 1.75 1.29 0.00 0.00 0.00 173.10 175.82 1upa h ASP 463 N -0.31 0.95 0.82 1.64 2.03 -1.76 -0.51 116.42 119.28 1upa h ASP 463 Ca -0.45 -0.20 -0.04 0.00 -0.73 0.00 0.00 57.03 55.61 1upa h ASP 463 Cb 1.26 -0.25 -0.00 0.00 -0.83 0.00 0.00 39.33 39.51 1upa h ASP 463 CO 0.61 0.93 -0.48 1.23 -1.03 0.00 0.00 179.24 180.50 1upa h GLY 464 N 1.04 -1.33 1.66 7.15 0.00 -1.90 -2.51 103.07 107.18 1upa h GLY 464 Ca 0.20 0.53 -0.16 0.00 0.00 0.00 0.00 47.33 47.90 1upa h GLY 464 CO 0.01 -0.46 -0.63 -1.33 0.00 0.00 0.00 176.54 174.13 1upa h GLY 465 N -1.21 0.38 0.93 4.60 0.00 -1.81 -2.69 103.07 103.27 1upa h GLY 465 Ca -0.11 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 1upa h GLY 465 CO 0.13 0.43 0.13 -2.75 0.00 0.00 0.00 176.54 174.48 1upa h PHE 466 N 0.25 0.58 0.00 5.60 3.57 -1.09 -2.54 116.94 123.32 1upa h PHE 466 Ca -0.01 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1upa h PHE 466 Cb 1.16 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1upa h PHE 466 CO 0.03 0.55 0.00 1.25 -2.23 0.00 0.00 178.31 177.91 1upa h HIS 467 N 0.45 0.00 0.00 0.41 2.76 -1.45 -0.90 115.15 116.41 1upa h HIS 467 Ca 0.12 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1upa h HIS 467 Cb 0.23 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.19 1upa h HIS 467 CO 0.00 0.00 -0.02 0.66 -1.30 0.00 0.00 177.93 177.28 1upa h SER 468 N 0.00 0.00 -0.19 3.26 4.64 -1.11 -3.27 113.55 116.88 1upa h SER 468 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 1upa h SER 468 Cb 0.67 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.44 1upa h SER 468 CO 0.00 0.02 -0.86 -3.20 -0.87 0.00 0.00 176.83 171.91 1upa n ASN 469 N -3.64 0.61 0.11 4.97 5.15 -0.88 -4.94 115.26 116.64 1upa n ASN 469 Ca -0.03 -2.05 0.13 0.00 -0.60 0.00 0.00 54.58 52.03 1upa n ASN 469 Cb 0.10 -0.14 0.43 0.00 -0.53 0.00 0.00 39.78 39.64 1upa n ASN 469 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1upa n SER 470 N -0.40 0.76 0.25 1.20 3.41 -0.40 -3.63 113.62 114.82 1upa n SER 470 Ca -0.01 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 1upa n SER 470 Cb 0.90 -0.79 0.67 0.00 -0.26 0.00 0.00 64.21 64.73 1upa n SER 470 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1upa h SER 471 N 0.00 0.00 0.00 4.04 0.02 -1.88 -1.62 113.55 114.12 1upa h SER 471 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1upa h SER 471 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1upa h SER 471 CO 0.00 0.15 0.00 0.47 -1.14 0.00 0.00 176.83 176.31 1upa n ASP 472 N -3.62 0.00 -0.20 3.07 8.00 -1.24 -2.19 116.55 120.37 1upa n ASP 472 Ca -0.01 -1.36 0.05 0.00 0.71 0.00 0.00 54.79 54.18 1upa n ASP 472 Cb 0.27 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.69 1upa n ASP 472 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1upa h LEU 473 N 0.00 0.73 -1.20 0.64 3.38 -1.56 -2.10 115.31 115.20 1upa h LEU 473 Ca 0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1upa h LEU 473 Cb 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1upa h LEU 473 CO 0.00 0.49 0.20 -0.08 0.09 0.00 0.00 178.44 179.13 1upa h GLU 474 N 0.84 0.76 -0.73 1.13 4.22 -1.64 -1.95 114.58 117.21 1upa h GLU 474 Ca 0.31 -0.11 -0.06 0.00 0.08 0.00 0.00 59.36 59.58 1upa h GLU 474 Cb 0.17 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1upa h GLU 474 CO -0.10 0.63 0.21 1.15 -2.18 0.00 0.00 179.01 178.72 1upa h THR 475 N 0.75 1.26 -0.73 0.32 2.02 -1.59 -0.61 112.91 114.34 1upa h THR 475 Ca 0.18 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.40 1upa h THR 475 Cb 0.16 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 1upa h THR 475 CO -0.02 0.36 0.35 0.40 0.37 0.00 0.00 175.52 176.99 1upa h ILE 476 N 1.09 1.24 -0.61 3.11 2.04 -1.03 -0.88 117.51 122.46 1upa h ILE 476 Ca 0.23 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 1upa h ILE 476 Cb 0.34 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1upa h ILE 476 CO -0.00 0.28 0.22 0.00 0.00 0.00 0.00 178.15 178.64 1upa h ALA 477 N 1.17 0.79 -0.21 1.87 0.00 -1.08 -1.43 119.26 120.38 1upa h ALA 477 Ca 0.25 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1upa h ALA 477 Cb 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1upa h ALA 477 CO -0.03 0.43 -0.46 -0.09 0.00 0.00 0.00 179.25 179.09 1upa h ARG 478 N 0.85 0.68 0.00 0.00 2.43 -0.79 -2.50 114.38 115.05 1upa h ARG 478 Ca 0.20 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1upa h ARG 478 Cb 0.24 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1upa h ARG 478 CO -0.01 1.08 0.00 1.28 -1.51 0.00 0.00 179.97 180.80 1upa n LEU 479 N -4.17 0.17 -3.81 3.80 4.77 -0.37 -4.94 117.00 112.45 1upa n LEU 479 Ca -0.06 0.52 -0.24 0.00 -0.03 0.00 0.00 56.01 56.21 1upa n LEU 479 Cb 0.57 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1upa n LEU 479 CO 0.47 -0.10 -0.11 -3.20 -1.33 0.00 0.00 177.39 173.12 1upa n ASN 480 N -1.67 -1.20 -4.63 -1.43 5.15 -0.57 -4.97 115.26 105.94 1upa n ASN 480 Ca 0.06 -0.88 -0.41 0.00 -0.60 0.00 0.00 54.58 52.74 1upa n ASN 480 Cb 0.32 -3.68 -0.05 0.00 -0.53 0.00 0.00 39.78 35.85 1upa n ASN 480 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1upa s LEU 481 N -6.83 4.07 0.00 1.20 1.43 -0.98 -4.85 118.68 112.72 1upa s LEU 481 Ca 0.07 0.88 -0.05 0.00 -1.03 0.00 0.00 54.13 54.00 1upa s LEU 481 Cb -0.04 -3.06 -0.24 0.00 0.03 0.00 0.00 46.19 42.88 1upa s LEU 481 CO 0.84 -0.48 3.30 -0.81 0.23 0.00 0.00 176.35 179.43 1upa n PRO 482 N 5.93 1.79 -2.30 1.29 -0.04 -1.26 -3.67 135.00 136.73 1upa n PRO 482 Ca 0.03 -0.89 -0.41 0.00 -0.04 0.00 0.00 63.50 62.19 1upa n PRO 482 Cb 0.48 -1.95 -0.03 0.00 -0.04 0.00 0.00 33.50 31.96 1upa n PRO 482 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1upa s ILE 483 N 1.21 3.31 -0.24 0.52 1.01 -1.26 -4.64 121.20 121.10 1upa s ILE 483 Ca 0.60 1.15 -0.08 0.00 0.00 0.00 0.00 60.65 62.32 1upa s ILE 483 Cb 0.29 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 1upa s ILE 483 CO 0.00 0.21 0.10 -0.69 0.00 0.00 0.00 174.94 174.56 1upa s VAL 484 N -0.36 4.68 -0.09 2.92 1.01 -0.68 -2.12 120.40 125.77 1upa s VAL 484 Ca 0.52 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.46 1upa s VAL 484 Cb -0.35 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 1upa s VAL 484 CO 0.40 0.34 -0.10 -0.89 0.00 0.00 0.00 175.10 174.85 1upa s THR 485 N 1.41 3.36 -0.21 3.92 2.01 -0.34 -0.33 115.64 125.46 1upa s THR 485 Ca 0.06 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.46 1upa s THR 485 Cb -0.15 -2.38 0.01 0.00 0.01 0.00 0.00 72.50 70.00 1upa s THR 485 CO 0.05 0.57 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.73 1upa s VAL 486 N -0.36 2.57 -0.40 3.82 1.01 0.27 -0.01 120.40 127.30 1upa s VAL 486 Ca 0.04 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 1upa s VAL 486 Cb -0.12 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.10 1upa s VAL 486 CO 0.02 0.43 0.30 -0.69 0.00 0.00 0.00 175.10 175.16 1upa s VAL 487 N 1.34 5.26 -0.41 2.92 1.01 0.80 -1.69 120.40 129.63 1upa s VAL 487 Ca 0.04 -0.54 -0.22 0.00 0.00 0.00 0.00 61.98 61.26 1upa s VAL 487 Cb -0.14 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.37 1upa s VAL 487 CO -0.09 -0.25 0.72 0.68 0.00 0.00 0.00 175.10 176.16 1upa s VAL 488 N 1.72 4.75 -0.23 2.92 -7.23 0.20 -0.95 120.40 121.57 1upa s VAL 488 Ca 0.06 0.46 -0.04 0.00 -1.81 0.00 0.00 61.98 60.65 1upa s VAL 488 Cb -0.19 -4.23 -0.00 0.00 0.56 0.00 0.00 36.38 32.52 1upa s VAL 488 CO 0.10 -0.56 -0.03 0.21 -0.31 0.00 0.00 175.10 174.51 1upa s ASN 489 N 1.99 4.42 -0.09 4.85 2.47 -0.16 -2.42 114.94 126.00 1upa s ASN 489 Ca 0.27 -0.48 0.13 0.00 0.42 0.00 0.00 52.86 53.20 1upa s ASN 489 Cb -0.13 -1.75 0.21 0.00 -1.45 0.00 0.00 41.25 38.13 1upa s ASN 489 CO 0.19 -0.05 1.11 -0.46 -3.72 0.00 0.00 177.10 174.17 1upa n ASN 490 N 4.79 1.50 -3.66 -4.21 6.94 -1.26 -1.69 115.26 117.68 1upa n ASN 490 Ca -0.17 -2.76 -0.28 0.00 -0.02 0.00 0.00 54.58 51.35 1upa n ASN 490 Cb 0.50 -0.36 -0.00 0.00 -2.36 0.00 0.00 39.78 37.56 1upa n ASN 490 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1upa n ASP 491 N -0.88 -3.96 -3.66 0.53 8.00 -1.26 -4.92 116.55 110.40 1upa n ASP 491 Ca 0.11 -0.60 -0.15 0.00 0.71 0.00 0.00 54.79 54.85 1upa n ASP 491 Cb 0.68 -3.24 -0.08 0.00 -0.02 0.00 0.00 41.12 38.47 1upa n ASP 491 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1upa s THR 492 N -3.09 0.03 -1.21 -3.53 2.01 -1.26 -1.24 115.64 107.34 1upa s THR 492 Ca 0.53 -0.21 -0.17 0.00 0.31 0.00 0.00 61.69 62.15 1upa s THR 492 Cb -0.28 -0.77 0.11 0.00 0.01 0.00 0.00 72.50 71.57 1upa s THR 492 CO 0.65 -0.11 1.56 0.20 -0.69 0.00 0.00 174.62 176.23 1upa s ASN 493 N -0.95 6.87 0.18 3.53 0.01 -0.47 -4.20 114.94 119.90 1upa s ASN 493 Ca -0.10 -2.50 -0.11 0.00 -0.71 0.00 0.00 52.86 49.43 1upa s ASN 493 Cb -0.03 -2.50 0.09 0.00 0.41 0.00 0.00 41.25 39.22 1upa s ASN 493 CO 0.06 -1.05 1.76 1.23 -1.51 0.00 0.00 177.10 177.58 1upa h GLY 494 N 11.47 0.98 0.28 0.66 0.00 -1.95 -1.64 103.07 112.86 1upa h GLY 494 Ca 0.36 -0.50 0.17 0.00 0.00 0.00 0.00 47.33 47.36 1upa h GLY 494 CO 1.36 0.47 0.61 -2.00 0.00 0.00 0.00 176.54 176.98 1upa h LEU 495 N 0.87 0.72 -0.09 3.11 6.46 -1.92 -0.84 115.31 123.62 1upa h LEU 495 Ca 0.22 0.07 -0.25 0.00 -0.12 0.00 0.00 57.88 57.80 1upa h LEU 495 Cb 0.14 -0.07 0.01 0.00 -0.73 0.00 0.00 40.66 40.01 1upa h LEU 495 CO -0.03 0.30 -1.01 0.40 -0.62 0.00 0.00 178.44 177.48 1upa h ILE 496 N 0.72 1.36 -0.75 4.05 1.08 -1.73 -2.13 117.51 120.12 1upa h ILE 496 Ca 0.53 -2.43 0.01 0.00 -0.39 0.00 0.00 64.86 62.57 1upa h ILE 496 Cb 0.86 2.46 -0.04 0.00 -3.07 0.00 0.00 36.82 37.03 1upa h ILE 496 CO -0.29 0.73 0.50 -0.08 -0.69 0.00 0.00 178.15 178.32 1upa h GLU 497 N 0.27 0.99 0.36 2.37 4.81 -0.94 -0.73 114.58 121.71 1upa h GLU 497 Ca -0.11 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1upa h GLU 497 Cb 1.66 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 1upa h GLU 497 CO 0.18 0.65 -0.25 1.25 -0.73 0.00 0.00 179.01 180.12 1upa h LEU 498 N 1.02 -0.64 -1.51 1.64 6.46 -0.92 -2.14 115.31 119.21 1upa h LEU 498 Ca 0.27 0.04 0.05 0.00 -0.12 0.00 0.00 57.88 58.13 1upa h LEU 498 Cb -0.12 0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 39.98 1upa h LEU 498 CO -0.06 -0.39 0.39 1.88 -0.62 0.00 0.00 178.44 179.64 1upa h TYR 499 N -0.60 0.61 -0.43 1.25 0.05 -0.99 0.14 116.97 117.01 1upa h TYR 499 Ca -0.03 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.79 1upa h TYR 499 Cb 0.51 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.02 1upa h TYR 499 CO -0.12 0.34 0.24 1.96 -1.05 0.00 0.00 178.16 179.53 1upa h GLN 500 N 0.62 0.46 -0.06 4.88 4.20 -0.88 -1.34 115.11 122.99 1upa h GLN 500 Ca 0.24 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.78 1upa h GLN 500 Cb 0.19 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1upa h GLN 500 CO -0.07 0.30 -0.64 -0.91 -0.67 0.00 0.00 178.83 176.85 1upa h ASN 501 N 0.47 0.25 -0.57 1.46 2.35 -0.62 -0.54 115.58 118.38 1upa h ASN 501 Ca 0.18 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1upa h ASN 501 Cb 0.05 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1upa h ASN 501 CO -0.10 0.82 0.22 0.40 -1.65 0.00 0.00 177.43 177.12 1upa h ILE 502 N 0.16 1.23 0.22 2.81 2.04 -0.77 0.48 117.51 123.68 1upa h ILE 502 Ca -0.01 -0.72 -0.32 0.00 1.00 0.00 0.00 64.86 64.81 1upa h ILE 502 Cb 1.16 0.63 0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1upa h ILE 502 CO 0.10 0.28 -1.42 1.23 0.00 0.00 0.00 178.15 178.33 1upa h GLY 503 N 0.78 0.59 0.00 5.37 0.00 -1.15 -3.41 103.07 105.26 1upa h GLY 503 Ca 0.19 -1.47 0.00 0.00 0.00 0.00 0.00 47.33 46.05 1upa h GLY 503 CO -0.01 1.29 0.00 1.42 0.00 0.00 0.00 176.54 179.24 1upa n HIS 504 N -3.70 0.00 -2.09 5.60 8.25 -0.22 -5.02 115.22 118.04 1upa n HIS 504 Ca -0.15 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.14 1upa n HIS 504 Cb 1.08 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.17 1upa n HIS 504 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1upa n HIS 505 N -0.07 -0.58 -3.69 4.41 -0.00 0.16 -4.96 115.22 110.49 1upa n HIS 505 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.66 1upa n HIS 505 Cb 0.10 -3.25 -0.02 0.00 -0.00 0.00 0.00 29.99 26.83 1upa n HIS 505 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 1upa s ARG 506 N -4.44 1.25 0.39 -0.41 1.70 -1.26 -4.98 118.95 111.20 1upa s ARG 506 Ca 0.00 -0.63 0.04 0.00 -0.47 0.00 0.00 55.73 54.67 1upa s ARG 506 Cb 0.00 0.46 -0.00 0.00 -0.57 0.00 0.00 34.95 34.84 1upa s ARG 506 CO 0.00 -0.56 0.56 -1.12 -1.08 0.00 0.00 175.30 173.10 1upa s SER 507 N -2.83 5.84 -0.26 -2.89 0.01 -1.26 -3.46 113.70 108.85 1upa s SER 507 Ca 0.09 -0.06 -0.03 0.00 1.31 0.00 0.00 55.95 57.27 1upa s SER 507 Cb -0.02 -1.23 0.10 0.00 0.21 0.00 0.00 66.02 65.08 1upa s SER 507 CO -0.01 -0.60 0.19 -2.28 0.41 0.00 0.00 173.24 170.96 1upa s HIS 508 N -2.35 -0.04 0.23 2.43 2.46 -1.26 -5.07 115.29 111.69 1upa s HIS 508 Ca 0.48 -0.40 -0.07 0.00 0.47 0.00 0.00 55.06 55.54 1upa s HIS 508 Cb -0.10 -0.65 0.20 0.00 -0.13 0.00 0.00 32.58 31.91 1upa s HIS 508 CO 0.34 -0.78 1.85 -0.44 -2.47 0.00 0.00 174.74 173.23 1upa h ASP 509 N 8.35 1.13 -0.35 9.88 3.32 -1.99 -2.49 116.42 134.27 1upa h ASP 509 Ca -0.17 -0.11 0.10 0.00 0.02 0.00 0.00 57.03 56.87 1upa h ASP 509 Cb 1.07 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 1upa h ASP 509 CO 0.36 0.91 0.47 -0.65 -1.72 0.00 0.00 179.24 178.61 1upa h PRO 510 N 1.25 0.00 -0.00 3.56 0.11 -1.98 0.99 132.00 135.93 1upa h PRO 510 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1upa h PRO 510 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1upa h PRO 510 CO -0.05 0.00 -0.68 0.00 -0.21 0.00 0.00 178.00 177.06 1upa n ALA 511 N -2.23 4.00 0.00 -0.75 0.00 -0.94 -4.65 120.51 115.95 1upa n ALA 511 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1upa n ALA 511 Cb 0.62 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1upa n ALA 511 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1upa n VAL 512 N -1.29 0.00 -3.95 0.00 0.24 -0.40 -4.99 118.33 107.93 1upa n VAL 512 Ca 0.06 -0.07 -0.37 0.00 -2.04 0.00 0.00 64.34 61.92 1upa n VAL 512 Cb 0.35 0.84 -0.07 0.00 -1.47 0.00 0.00 33.84 33.49 1upa n VAL 512 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1upa s LYS 513 N -0.19 3.38 0.33 7.34 -0.14 0.21 -1.37 119.74 129.29 1upa s LYS 513 Ca 0.00 -0.17 0.08 0.00 -1.36 0.00 0.00 55.97 54.52 1upa s LYS 513 Cb 0.00 -3.13 -0.04 0.00 -1.68 0.00 0.00 37.83 32.98 1upa s LYS 513 CO 0.00 0.76 0.12 -0.06 -0.76 0.00 0.00 175.35 175.41 1upa s PHE 514 N -1.00 2.69 0.00 3.18 0.08 -0.37 -4.89 117.98 117.67 1upa s PHE 514 Ca 0.15 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.82 1upa s PHE 514 Cb -0.12 -1.59 0.00 0.00 -0.57 0.00 0.00 43.02 40.74 1upa s PHE 514 CO 0.04 0.38 0.00 0.41 -0.10 0.00 0.00 175.22 175.94 1upa n GLY 515 N -1.11 -0.44 3.73 4.36 0.00 -1.26 -4.80 105.19 105.66 1upa n GLY 515 Ca -0.03 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 1upa n GLY 515 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1upa s GLY 516 N -2.66 2.92 -0.06 -0.02 0.00 -1.26 -4.88 107.32 101.36 1upa s GLY 516 Ca 0.00 0.49 0.06 0.00 0.00 0.00 0.00 44.72 45.27 1upa s GLY 516 CO 0.00 1.45 -0.24 0.14 0.00 0.00 0.00 173.10 174.45 1upa s VAL 517 N 0.33 2.19 -0.60 1.40 1.01 -1.26 -5.09 120.40 118.39 1upa s VAL 517 Ca 0.46 -1.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.26 1upa s VAL 517 Cb -0.22 -1.80 0.13 0.00 0.00 0.00 0.00 36.38 34.49 1upa s VAL 517 CO 0.27 0.57 0.60 -0.62 0.00 0.00 0.00 175.10 175.92 1upa s ASP 518 N -0.21 6.27 0.30 3.32 -1.08 -1.26 -4.92 116.67 119.09 1upa s ASP 518 Ca -0.02 -1.81 0.09 0.00 -0.52 0.00 0.00 52.55 50.29 1upa s ASP 518 Cb -0.13 -2.24 0.46 0.00 -1.46 0.00 0.00 42.92 39.55 1upa s ASP 518 CO 0.03 -0.90 1.69 -0.26 0.52 0.00 0.00 175.17 176.25 1upa h PHE 519 N 8.84 0.14 0.24 -5.34 0.04 -1.98 0.37 116.94 119.24 1upa h PHE 519 Ca -0.24 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.49 1upa h PHE 519 Cb 1.09 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.20 1upa h PHE 519 CO 0.80 0.58 -0.20 0.28 -0.60 0.00 0.00 178.31 179.18 1upa h VAL 520 N 0.09 0.58 -0.24 -0.55 2.07 -1.91 0.80 116.25 117.10 1upa h VAL 520 Ca 0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1upa h VAL 520 Cb 0.89 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1upa h VAL 520 CO 0.07 0.00 -0.26 0.00 0.02 0.00 0.00 177.57 177.40 1upa h ALA 521 N 0.27 1.12 -0.25 1.67 0.00 -1.93 -2.31 119.26 117.83 1upa h ALA 521 Ca -0.01 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1upa h ALA 521 Cb 0.40 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1upa h ALA 521 CO -0.02 0.55 0.07 1.25 0.00 0.00 0.00 179.25 181.10 1upa h LEU 522 N 0.40 0.05 -0.64 0.00 5.85 -0.62 -0.91 115.31 119.44 1upa h LEU 522 Ca 0.06 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1upa h LEU 522 Cb 0.66 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1upa h LEU 522 CO 0.05 0.06 0.42 0.00 -0.34 0.00 0.00 178.44 178.63 1upa h ALA 523 N 1.17 0.81 -0.05 1.25 0.00 -0.53 -2.48 119.26 119.43 1upa h ALA 523 Ca 0.11 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1upa h ALA 523 Cb 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1upa h ALA 523 CO -0.14 0.26 -0.49 0.93 0.00 0.00 0.00 179.25 179.81 1upa h GLU 524 N 0.87 0.13 -0.30 0.00 5.08 -1.14 -0.45 114.58 118.78 1upa h GLU 524 Ca 0.23 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.59 1upa h GLU 524 Cb -0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1upa h GLU 524 CO -0.05 0.60 0.21 0.00 -1.00 0.00 0.00 179.01 178.77 1upa h ALA 525 N 1.39 2.16 -0.04 3.43 0.00 -0.71 -1.73 119.26 123.76 1upa h ALA 525 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1upa h ALA 525 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1upa h ALA 525 CO 0.07 -0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.18 1upa n ASN 526 N -4.47 1.77 0.00 0.00 3.02 -0.27 -4.93 115.26 110.39 1upa n ASN 526 Ca 0.04 -1.60 0.00 0.00 -0.03 0.00 0.00 54.58 52.98 1upa n ASN 526 Cb 0.31 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 1upa n ASN 526 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1upa n GLY 527 N 1.20 0.68 3.32 7.41 0.00 -0.65 -4.36 105.19 112.79 1upa n GLY 527 Ca 0.18 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 1upa n GLY 527 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upa s VAL 528 N -2.00 3.69 0.61 1.61 1.01 -0.65 -4.90 120.40 119.77 1upa s VAL 528 Ca 0.00 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.13 1upa s VAL 528 Cb 0.00 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 1upa s VAL 528 CO 0.00 0.20 1.31 0.47 0.00 0.00 0.00 175.10 177.08 1upa n ASP 529 N 4.82 2.28 -3.84 3.32 8.00 -1.26 -2.57 116.55 127.30 1upa n ASP 529 Ca -0.16 0.89 -0.07 0.00 0.71 0.00 0.00 54.79 56.16 1upa n ASP 529 Cb 0.49 -1.56 -0.02 0.00 -0.02 0.00 0.00 41.12 40.00 1upa n ASP 529 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1upa s ALA 530 N -1.35 -1.10 0.17 2.24 0.00 -1.26 -1.76 121.76 118.71 1upa s ALA 530 Ca 0.78 -0.39 -0.24 0.00 0.00 0.00 0.00 51.96 52.12 1upa s ALA 530 Cb -0.40 0.87 0.06 0.00 0.00 0.00 0.00 23.12 23.65 1upa s ALA 530 CO 0.44 -1.02 0.81 -0.08 0.00 0.00 0.00 175.76 175.91 1upa s THR 531 N -3.86 0.00 -0.01 0.00 -1.32 -0.49 -4.94 115.64 105.01 1upa s THR 531 Ca 0.12 -0.55 0.01 0.00 -1.21 0.00 0.00 61.69 60.06 1upa s THR 531 Cb -0.05 -1.67 -0.04 0.00 -1.51 0.00 0.00 72.50 69.23 1upa s THR 531 CO 0.07 0.00 0.02 -0.60 -2.21 0.00 0.00 174.62 171.90 1upa s ARG 532 N -3.54 2.87 -0.02 7.08 3.52 -1.26 -1.42 118.95 126.18 1upa s ARG 532 Ca 0.09 -0.56 0.00 0.00 -0.13 0.00 0.00 55.73 55.13 1upa s ARG 532 Cb -0.03 -2.73 0.03 0.00 -1.56 0.00 0.00 34.95 30.66 1upa s ARG 532 CO -0.01 0.64 0.03 0.00 -0.81 0.00 0.00 175.30 175.15 1upa s ALA 533 N -1.09 0.09 0.00 6.12 0.00 -0.43 -4.92 121.76 121.53 1upa s ALA 533 Ca 0.20 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1upa s ALA 533 Cb -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.77 1upa s ALA 533 CO 0.10 -0.10 0.58 0.25 0.00 0.00 0.00 175.76 176.60 1upa n THR 534 N 4.10 0.21 -3.90 0.00 -2.24 -1.26 -4.16 114.28 107.03 1upa n THR 534 Ca -0.27 -0.58 -0.10 0.00 -2.27 0.00 0.00 64.05 60.83 1upa n THR 534 Cb 0.51 0.94 -0.00 0.00 -2.10 0.00 0.00 70.33 69.67 1upa n THR 534 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1upa s ASN 535 N -0.21 0.22 0.14 3.42 2.20 -1.26 -5.00 114.94 114.46 1upa s ASN 535 Ca 0.00 -1.17 -0.18 0.00 -0.94 0.00 0.00 52.86 50.57 1upa s ASN 535 Cb 0.00 0.77 0.02 0.00 -2.00 0.00 0.00 41.25 40.04 1upa s ASN 535 CO 0.00 -1.51 1.73 0.03 -2.94 0.00 0.00 177.10 174.41 1upa h ARG 536 N 2.05 0.15 0.02 3.55 3.08 -1.97 -0.93 114.38 120.33 1upa h ARG 536 Ca -0.29 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.76 1upa h ARG 536 Cb 1.25 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 1upa h ARG 536 CO 0.38 0.10 -0.08 1.49 -1.07 0.00 0.00 179.97 180.79 1upa h GLU 537 N 0.15 -0.14 -0.52 0.04 4.81 -1.99 0.11 114.58 117.04 1upa h GLU 537 Ca 0.13 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1upa h GLU 537 Cb 0.14 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1upa h GLU 537 CO -0.18 -0.09 0.10 0.93 -0.73 0.00 0.00 179.01 179.04 1upa h GLU 538 N -0.15 0.81 -0.25 1.92 5.08 -1.94 -2.49 114.58 117.57 1upa h GLU 538 Ca 0.03 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 1upa h GLU 538 Cb 0.18 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1upa h GLU 538 CO -0.07 0.75 -0.28 1.25 -1.00 0.00 0.00 179.01 179.66 1upa h LEU 539 N 0.78 0.67 -0.53 1.33 5.85 -0.74 -1.03 115.31 121.63 1upa h LEU 539 Ca 0.17 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 1upa h LEU 539 Cb 0.33 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1upa h LEU 539 CO 0.00 1.02 0.30 -0.07 -0.34 0.00 0.00 178.44 179.36 1upa h LEU 540 N 0.34 0.66 -0.81 2.25 3.38 -0.72 -0.11 115.31 120.31 1upa h LEU 540 Ca 0.04 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1upa h LEU 540 Cb 0.84 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1upa h LEU 540 CO 0.07 0.55 0.39 0.00 0.09 0.00 0.00 178.44 179.54 1upa h ALA 541 N 1.14 1.04 -0.39 1.53 0.00 -1.38 0.01 119.26 121.21 1upa h ALA 541 Ca 0.19 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1upa h ALA 541 Cb 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1upa h ALA 541 CO -0.03 0.60 -0.35 0.00 0.00 0.00 0.00 179.25 179.47 1upa h ALA 542 N 1.21 0.64 -0.55 0.00 0.00 -0.75 -1.32 119.26 118.48 1upa h ALA 542 Ca 0.28 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1upa h ALA 542 Cb 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1upa h ALA 542 CO -0.04 0.67 0.01 -0.07 0.00 0.00 0.00 179.25 179.82 1upa h LEU 543 N 0.75 0.95 -0.49 0.00 3.38 -0.80 -0.37 115.31 118.73 1upa h LEU 543 Ca 0.07 -0.30 -0.15 0.00 0.09 0.00 0.00 57.88 57.59 1upa h LEU 543 Cb 0.93 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1upa h LEU 543 CO 0.09 1.02 -0.36 0.03 0.09 0.00 0.00 178.44 179.32 1upa h ARG 544 N 0.85 0.86 0.23 1.13 3.08 -0.94 -1.31 114.38 118.28 1upa h ARG 544 Ca 0.16 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 1upa h ARG 544 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1upa h ARG 544 CO 0.03 1.07 -0.11 -0.22 -1.07 0.00 0.00 179.97 179.67 1upa h LYS 545 N 0.71 -0.29 -0.77 0.04 3.64 -1.13 -2.96 116.57 115.80 1upa h LYS 545 Ca 0.07 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.61 1upa h LYS 545 Cb 0.92 0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.72 1upa h LYS 545 CO 0.09 -0.12 0.33 0.78 -2.27 0.00 0.00 179.45 178.26 1upa h GLY 546 N -0.41 1.19 2.00 5.01 0.00 -0.94 -1.41 103.07 108.52 1upa h GLY 546 Ca -0.03 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 1upa h GLY 546 CO 0.05 -0.08 -0.32 0.00 0.00 0.00 0.00 176.54 176.18 1upa h ALA 547 N 1.55 1.25 -0.01 3.60 0.00 -1.16 -2.83 119.26 121.65 1upa h ALA 547 Ca 0.42 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1upa h ALA 547 Cb 0.63 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1upa h ALA 547 CO -0.39 0.40 -0.65 0.39 0.00 0.00 0.00 179.25 179.00 1upa n GLU 548 N -3.84 0.77 0.24 0.00 1.02 -0.97 -4.60 120.64 113.26 1upa n GLU 548 Ca -0.01 -0.63 0.08 0.00 -0.02 0.00 0.00 57.16 56.57 1upa n GLU 548 Cb 0.40 -1.49 0.59 0.00 -0.02 0.00 0.00 31.44 30.93 1upa n GLU 548 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1upa h LEU 549 N 1.53 0.00 0.25 -4.62 5.85 -1.01 -3.46 115.31 113.85 1upa h LEU 549 Ca 0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1upa h LEU 549 Cb 0.66 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1upa h LEU 549 CO 0.00 0.12 -0.10 0.61 -0.34 0.00 0.00 178.44 178.74 1upa n GLY 550 N -1.10 0.72 3.28 3.75 0.00 -1.26 -4.98 105.19 105.59 1upa n GLY 550 Ca -0.03 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 1upa n GLY 550 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upa s ARG 551 N -1.95 1.01 0.74 1.61 0.52 -1.26 -4.82 118.95 114.80 1upa s ARG 551 Ca 0.00 -1.00 -0.14 0.00 -0.52 0.00 0.00 55.73 54.06 1upa s ARG 551 Cb 0.00 0.38 0.04 0.00 0.52 0.00 0.00 34.95 35.89 1upa s ARG 551 CO 0.00 -0.36 1.18 -1.25 0.02 0.00 0.00 175.30 174.89 1upa s PRO 552 N -3.89 2.13 -0.16 3.54 0.04 -1.24 -4.56 135.00 130.85 1upa s PRO 552 Ca 0.09 1.66 -0.16 0.00 0.04 0.00 0.00 61.00 62.63 1upa s PRO 552 Cb 0.04 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.78 1upa s PRO 552 CO -0.07 -1.82 0.46 0.12 0.04 0.00 0.00 177.00 175.73 1upa s PHE 553 N -2.14 -0.49 0.03 0.56 5.36 -0.90 -4.14 117.98 116.26 1upa s PHE 553 Ca 0.72 1.17 0.07 0.00 -0.96 0.00 0.00 56.93 57.93 1upa s PHE 553 Cb -0.27 0.17 -0.02 0.00 -0.34 0.00 0.00 43.02 42.57 1upa s PHE 553 CO 0.46 -0.26 -0.20 -1.17 -1.46 0.00 0.00 175.22 172.59 1upa s LEU 554 N 0.10 2.13 -0.15 6.12 0.20 -0.72 -1.20 118.68 125.16 1upa s LEU 554 Ca -0.01 -0.47 -0.00 0.00 0.69 0.00 0.00 54.13 54.34 1upa s LEU 554 Cb -0.03 -0.95 0.04 0.00 -0.43 0.00 0.00 46.19 44.81 1upa s LEU 554 CO 0.01 0.17 -0.07 -0.63 -0.29 0.00 0.00 176.35 175.54 1upa s ILE 555 N -0.71 1.17 -0.14 6.68 1.01 0.98 -1.40 121.20 128.80 1upa s ILE 555 Ca 0.07 -0.56 -0.19 0.00 0.00 0.00 0.00 60.65 59.97 1upa s ILE 555 Cb -0.08 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 1upa s ILE 555 CO 0.01 0.23 0.52 -0.70 0.00 0.00 0.00 174.94 175.00 1upa s GLU 556 N 1.62 4.31 -0.14 2.79 2.12 -0.51 -0.14 118.70 128.76 1upa s GLU 556 Ca 0.02 0.50 0.00 0.00 0.36 0.00 0.00 54.97 55.85 1upa s GLU 556 Cb -0.14 -3.47 0.02 0.00 0.26 0.00 0.00 34.13 30.80 1upa s GLU 556 CO -0.08 0.06 -0.13 0.08 -0.54 0.00 0.00 175.26 174.65 1upa s VAL 557 N 0.94 1.44 0.19 3.70 1.01 -0.13 -1.31 120.40 126.24 1upa s VAL 557 Ca 0.27 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 1upa s VAL 557 Cb -0.15 -1.37 -0.08 0.00 0.00 0.00 0.00 36.38 34.77 1upa s VAL 557 CO 0.11 0.44 1.20 -2.16 0.00 0.00 0.00 175.10 174.69 1upa s PRO 558 N 1.50 4.49 0.18 2.72 0.04 -1.26 -0.99 135.00 141.68 1upa s PRO 558 Ca 0.04 1.89 0.01 0.00 0.04 0.00 0.00 61.00 62.98 1upa s PRO 558 Cb -0.13 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.13 1upa s PRO 558 CO -0.09 -0.08 0.02 0.14 0.04 0.00 0.00 177.00 177.02 1upa s VAL 559 N -0.12 0.58 0.14 -0.36 -7.23 -0.68 -4.44 120.40 108.28 1upa s VAL 559 Ca 0.53 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.72 1upa s VAL 559 Cb -0.33 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 1upa s VAL 559 CO 0.37 -0.42 0.06 0.20 -0.31 0.00 0.00 175.10 174.99 1upa s ASN 560 N -3.17 0.40 -0.12 4.85 -0.87 -1.26 -4.30 114.94 110.47 1upa s ASN 560 Ca 0.25 -1.22 -0.03 0.00 -1.57 0.00 0.00 52.86 50.29 1upa s ASN 560 Cb 0.06 0.28 -0.06 0.00 -0.02 0.00 0.00 41.25 41.52 1upa s ASN 560 CO 0.05 -0.72 -0.13 -1.22 -2.57 0.00 0.00 177.10 172.50 1upa n TYR 561 N -0.12 0.00 -3.23 2.20 4.01 -1.26 -4.57 117.16 114.19 1upa n TYR 561 Ca -0.05 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.53 1upa n TYR 561 Cb 0.64 -0.43 0.06 0.00 -0.31 0.00 0.00 39.34 39.30 1upa n TYR 561 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1upa n ASP 562 N -3.27 -4.05 -4.83 7.72 -0.08 -1.26 -4.96 116.55 105.81 1upa n ASP 562 Ca -0.22 -0.43 -0.32 0.00 -1.51 0.00 0.00 54.79 52.31 1upa n ASP 562 Cb 0.69 -3.94 -0.01 0.00 2.34 0.00 0.00 41.12 40.20 1upa n ASP 562 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1upa s PHE 563 N -3.25 3.30 -0.53 -0.67 -0.12 -1.26 -5.02 117.98 110.43 1upa s PHE 563 Ca 0.27 1.46 -0.10 0.00 -0.05 0.00 0.00 56.93 58.51 1upa s PHE 563 Cb -0.12 -2.86 0.14 0.00 -0.63 0.00 0.00 43.02 39.55 1upa s PHE 563 CO 0.55 -0.71 0.42 -0.65 -0.05 0.00 0.00 175.22 174.78 1upa s GLN 564 N -4.28 2.66 0.35 1.99 1.11 -1.26 -4.99 119.66 115.24 1upa s GLN 564 Ca 0.60 -1.91 0.10 0.00 0.01 0.00 0.00 55.36 54.16 1upa s GLN 564 Cb -0.12 -4.00 0.85 0.00 -1.01 0.00 0.00 33.01 28.73 1upa s GLN 564 CO 0.38 -1.22 1.82 -1.35 0.01 0.00 0.00 175.29 174.93 1upa h PRO 565 N 8.30 0.64 0.00 2.91 0.11 -1.92 -2.05 132.00 139.98 1upa h PRO 565 Ca -0.17 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1upa h PRO 565 Cb 1.06 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1upa h PRO 565 CO 0.86 0.42 0.00 0.41 -0.21 0.00 0.00 178.00 179.48 1upa n GLY 566 N -1.41 -1.14 0.52 -0.55 0.00 -1.26 -3.65 105.19 97.70 1upa n GLY 566 Ca 0.21 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.28 1upa n GLY 566 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1upa n GLY 567 N 0.18 0.28 1.21 -0.02 0.00 -0.77 -4.42 105.19 101.64 1upa n GLY 567 Ca 0.03 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.65 1upa n GLY 567 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1upa n PHE 568 N 0.29 1.16 0.28 1.61 3.72 -1.24 -3.07 117.46 120.20 1upa n PHE 568 Ca 0.12 -1.74 0.14 0.00 -0.05 0.00 0.00 57.45 55.92 1upa n PHE 568 Cb 0.27 -0.46 0.81 0.00 -0.94 0.00 0.00 39.48 39.15 1upa n PHE 568 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1upa h GLY 569 N 1.20 0.00 2.00 1.37 0.00 -1.88 -2.17 103.07 103.60 1upa h GLY 569 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1upa h GLY 569 CO 0.41 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.95 1upa h ALA 570 N 1.93 1.00 0.00 3.60 0.00 -1.84 -2.58 119.26 121.37 1upa h ALA 570 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1upa h ALA 570 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1upa h ALA 570 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1upa n LEU 571 N -2.44 0.72 0.00 0.00 4.77 -0.81 -4.95 117.00 114.28 1upa n LEU 571 Ca -0.01 0.62 0.14 0.00 -0.03 0.00 0.00 56.01 56.73 1upa n LEU 571 Cb 0.11 -0.44 0.84 0.00 -2.33 0.00 0.00 43.42 41.60 1upa n LEU 571 CO 0.15 -0.35 1.01 -1.20 -1.33 0.00 0.00 177.39 175.67