#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upb s THR 13 N 0.00 1.48 0.42 0.52 -1.32 -1.26 -4.58 115.64 110.91 1upb s THR 13 Ca 0.00 -1.68 0.23 0.00 -1.21 0.00 0.00 61.69 59.03 1upb s THR 13 Cb 0.00 -2.17 0.25 0.00 -1.51 0.00 0.00 72.50 69.08 1upb s THR 13 CO 0.00 0.00 2.04 0.00 -2.21 0.00 0.00 174.62 174.45 1upb h ALA 14 N 0.99 1.40 -0.52 11.08 0.00 -1.17 -1.33 119.26 129.70 1upb h ALA 14 Ca -0.40 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.39 1upb h ALA 14 Cb 1.31 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1upb h ALA 14 CO 0.64 0.19 0.33 0.00 0.00 0.00 0.00 179.25 180.41 1upb h ALA 15 N 1.85 0.66 -0.43 0.00 0.00 -1.58 0.21 119.26 119.97 1upb h ALA 15 Ca -0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1upb h ALA 15 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1upb h ALA 15 CO 0.02 0.07 0.16 1.25 0.00 0.00 0.00 179.25 180.75 1upb h HIS 16 N 0.67 0.67 -0.27 0.00 6.17 -1.58 -2.03 115.15 118.79 1upb h HIS 16 Ca 0.20 -0.06 -0.11 0.00 0.71 0.00 0.00 60.37 61.11 1upb h HIS 16 Cb -0.04 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 29.68 1upb h HIS 16 CO -0.05 0.59 -0.30 0.00 0.71 0.00 0.00 177.93 178.88 1upb h ALA 17 N 1.00 0.98 0.33 5.26 0.00 -1.09 0.10 119.26 125.84 1upb h ALA 17 Ca 0.14 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1upb h ALA 17 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1upb h ALA 17 CO -0.01 0.60 -0.16 1.25 0.00 0.00 0.00 179.25 180.93 1upb h LEU 18 N 0.47 -0.37 -0.85 0.00 5.85 -0.46 -1.41 115.31 118.54 1upb h LEU 18 Ca 0.06 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1upb h LEU 18 Cb 0.76 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1upb h LEU 18 CO 0.06 -0.13 0.19 -0.07 -0.34 0.00 0.00 178.44 178.15 1upb h LEU 19 N -0.61 0.98 -0.75 2.25 3.38 -1.26 -1.52 115.31 117.77 1upb h LEU 19 Ca -0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1upb h LEU 19 Cb 0.44 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1upb h LEU 19 CO 0.07 0.93 0.34 -1.28 0.09 0.00 0.00 178.44 178.59 1upb h SER 20 N 1.00 1.00 0.41 -0.43 0.87 -0.76 -1.15 113.55 114.49 1upb h SER 20 Ca 0.22 -0.15 -0.17 0.00 -1.23 0.00 0.00 61.79 60.46 1upb h SER 20 Cb 0.31 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1upb h SER 20 CO -0.00 0.88 -0.71 -0.09 -0.53 0.00 0.00 176.83 176.37 1upb h ARG 21 N 1.07 0.26 -0.41 2.24 9.65 -0.79 -1.99 114.38 124.41 1upb h ARG 21 Ca 0.25 -0.21 0.03 0.00 -1.10 0.00 0.00 59.98 58.95 1upb h ARG 21 Cb 0.16 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.75 1upb h ARG 21 CO -0.03 0.86 0.21 -0.07 2.80 0.00 0.00 179.97 183.74 1upb h LEU 22 N 0.18 0.31 -0.66 3.80 3.38 -1.03 -2.58 115.31 118.70 1upb h LEU 22 Ca -0.02 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1upb h LEU 22 Cb 1.26 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.89 1upb h LEU 22 CO 0.11 0.22 0.27 -0.09 0.09 0.00 0.00 178.44 179.05 1upb h ARG 23 N 0.42 0.45 -0.07 1.13 1.12 -0.91 -1.15 114.38 115.38 1upb h ARG 23 Ca 0.17 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 59.00 1upb h ARG 23 Cb 0.07 -0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 29.92 1upb h ARG 23 CO -0.11 0.30 -0.01 -0.44 -3.11 0.00 0.00 179.97 176.60 1upb h ASP 24 N 0.46 0.08 -0.12 -3.80 3.32 -1.10 -1.00 116.42 114.26 1upb h ASP 24 Ca 0.34 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1upb h ASP 24 Cb 0.43 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1upb h ASP 24 CO -0.32 0.11 0.00 1.41 -1.72 0.00 0.00 179.24 178.72 1upb n HIS 25 N -4.47 0.15 -0.11 4.55 8.25 -0.53 -4.78 115.22 118.29 1upb n HIS 25 Ca -0.02 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1upb n HIS 25 Cb 0.13 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1upb n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1upb n GLY 26 N 1.06 0.64 3.70 -1.41 0.00 -0.38 -4.73 105.19 104.07 1upb n GLY 26 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1upb n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upb s VAL 27 N -2.17 4.02 -0.23 1.61 1.01 -0.64 -4.90 120.40 119.10 1upb s VAL 27 Ca 0.00 1.41 0.06 0.00 0.00 0.00 0.00 61.98 63.45 1upb s VAL 27 Cb 0.00 -3.90 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 1upb s VAL 27 CO 0.00 0.05 0.24 0.61 0.00 0.00 0.00 175.10 176.00 1upb n GLY 28 N 3.37 0.21 3.05 4.51 0.00 -1.26 -4.00 105.19 111.07 1upb n GLY 28 Ca 0.11 -0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 1upb n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upb s LYS 29 N -1.83 0.72 -0.22 1.61 -0.14 -1.26 -1.42 119.74 117.20 1upb s LYS 29 Ca 0.01 -0.47 0.01 0.00 -1.36 0.00 0.00 55.97 54.16 1upb s LYS 29 Cb 0.05 -0.67 0.05 0.00 -1.68 0.00 0.00 37.83 35.58 1upb s LYS 29 CO 0.27 0.17 -0.11 0.08 -0.76 0.00 0.00 175.35 175.01 1upb s VAL 30 N -0.52 1.79 0.05 3.17 1.01 -0.37 -4.23 120.40 121.30 1upb s VAL 30 Ca 0.01 -1.19 -0.23 0.00 0.00 0.00 0.00 61.98 60.57 1upb s VAL 30 Cb -0.05 -1.88 -0.06 0.00 0.00 0.00 0.00 36.38 34.39 1upb s VAL 30 CO 0.00 0.11 0.68 -0.36 0.00 0.00 0.00 175.10 175.53 1upb s PHE 31 N 1.31 3.76 -2.15 5.22 0.40 -0.97 -0.70 117.98 124.85 1upb s PHE 31 Ca -0.03 1.38 0.00 0.00 -0.60 0.00 0.00 56.93 57.68 1upb s PHE 31 Cb -0.17 -2.69 0.00 0.00 0.51 0.00 0.00 43.02 40.67 1upb s PHE 31 CO -0.08 0.39 0.00 0.41 0.70 0.00 0.00 175.22 176.65 1upb n GLY 32 N 2.17 -1.07 2.80 4.36 0.00 -0.78 -0.46 105.19 112.20 1upb n GLY 32 Ca -0.06 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 44.79 1upb n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upb s VAL 33 N -3.00 0.48 0.05 1.61 1.01 -0.96 -1.47 120.40 118.12 1upb s VAL 33 Ca 0.00 0.05 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 1upb s VAL 33 Cb 0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.70 1upb s VAL 33 CO 0.00 0.28 0.55 -0.69 0.00 0.00 0.00 175.10 175.24 1upb s VAL 34 N 1.90 4.80 0.00 2.92 1.01 -1.26 -3.51 120.40 126.26 1upb s VAL 34 Ca 0.05 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.20 1upb s VAL 34 Cb -0.12 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1upb s VAL 34 CO -0.06 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1upb n GLY 35 N 1.83 3.57 0.04 4.51 0.00 -1.26 -4.94 105.19 108.94 1upb n GLY 35 Ca -0.10 -1.90 0.07 0.00 0.00 0.00 0.00 46.02 44.09 1upb n GLY 35 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1upb n ARG 36 N 0.00 0.05 0.00 1.61 1.85 -1.26 -1.42 116.66 117.49 1upb n ARG 36 Ca 0.00 0.36 0.01 0.00 -1.00 0.00 0.00 57.85 57.22 1upb n ARG 36 Cb 0.00 -1.62 0.04 0.00 -1.05 0.00 0.00 32.46 29.84 1upb n ARG 36 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1upb n GLU 37 N -1.72 0.03 0.27 2.89 0.00 -1.26 -2.62 120.64 118.22 1upb n GLU 37 Ca 0.02 0.26 0.15 0.00 0.00 0.00 0.00 57.16 57.59 1upb n GLU 37 Cb 0.15 -1.50 0.86 0.00 0.00 0.00 0.00 31.44 30.94 1upb n GLU 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1upb h ALA 38 N 2.08 1.67 -0.07 -1.84 0.00 -1.40 0.31 119.26 120.00 1upb h ALA 38 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1upb h ALA 38 Cb 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1upb h ALA 38 CO 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 179.25 179.24 1upb h ALA 39 N 1.94 1.82 0.00 0.00 0.00 -1.78 -3.16 119.26 118.08 1upb h ALA 39 Ca 0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1upb h ALA 39 Cb 0.13 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1upb h ALA 39 CO -0.00 -0.10 -1.63 0.43 0.00 0.00 0.00 179.25 177.94 1upb n SER 40 N -4.14 1.94 -3.71 0.00 7.64 -0.06 -4.98 113.62 110.32 1upb n SER 40 Ca -0.01 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.70 1upb n SER 40 Cb 0.17 1.54 -0.16 0.00 -1.01 0.00 0.00 64.21 64.74 1upb n SER 40 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1upb s ILE 41 N -2.87 -0.13 -0.11 0.44 2.07 -0.31 -4.44 121.20 115.85 1upb s ILE 41 Ca -0.05 0.32 -0.06 0.00 -1.41 0.00 0.00 60.65 59.45 1upb s ILE 41 Cb 0.08 -0.18 -0.26 0.00 0.13 0.00 0.00 42.46 42.22 1upb s ILE 41 CO 0.55 0.13 0.40 -0.07 -1.91 0.00 0.00 174.94 174.05 1upb h LEU 42 N 7.94 0.41 0.00 8.50 3.38 -1.88 -3.36 115.31 130.30 1upb h LEU 42 Ca -0.26 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 56.80 1upb h LEU 42 Cb 1.12 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1upb h LEU 42 CO 0.27 1.81 0.00 0.49 0.09 0.00 0.00 178.44 181.11 1upb n PHE 43 N -3.47 0.00 -0.61 1.13 3.72 -1.26 -4.96 117.46 112.01 1upb n PHE 43 Ca -0.31 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.16 1upb n PHE 43 Cb 1.05 -0.11 0.14 0.00 -0.94 0.00 0.00 39.48 39.62 1upb n PHE 43 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1upb n ASP 44 N 0.46 2.83 0.20 4.37 5.75 -1.26 -4.51 116.55 124.39 1upb n ASP 44 Ca 0.00 -2.58 0.08 0.00 -0.01 0.00 0.00 54.79 52.28 1upb n ASP 44 Cb 0.00 -0.32 0.33 0.00 -1.03 0.00 0.00 41.12 40.10 1upb n ASP 44 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1upb h GLU 45 N 0.95 0.00 -4.08 0.11 3.07 -1.93 -3.43 114.58 109.27 1upb h GLU 45 Ca 0.00 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.38 1upb h GLU 45 Cb 0.95 0.00 -0.36 0.00 -0.84 0.00 0.00 28.75 28.50 1upb h GLU 45 CO 0.06 0.30 -0.79 0.08 -1.40 0.00 0.00 179.01 177.26 1upb s VAL 46 N -3.47 0.76 0.27 3.13 1.01 -1.26 -5.00 120.40 115.84 1upb s VAL 46 Ca 0.02 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 1upb s VAL 46 Cb 0.09 -0.80 -0.10 0.00 0.00 0.00 0.00 36.38 35.57 1upb s VAL 46 CO 0.67 0.31 1.35 -1.83 0.00 0.00 0.00 175.10 175.60 1upb s GLU 47 N 1.47 4.33 0.00 2.72 1.03 -1.26 -3.20 118.70 123.79 1upb s GLU 47 Ca -0.01 2.21 0.00 0.00 0.03 0.00 0.00 54.97 57.20 1upb s GLU 47 Cb -0.13 -3.11 0.00 0.00 -0.80 0.00 0.00 34.13 30.08 1upb s GLU 47 CO -0.04 -0.28 0.00 0.41 -1.33 0.00 0.00 175.26 174.02 1upb n GLY 48 N 1.66 0.68 3.10 -3.83 0.00 -1.26 -5.04 105.19 100.50 1upb n GLY 48 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1upb n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1upb s ILE 49 N -2.43 1.98 0.02 -0.61 1.01 -1.19 -4.41 121.20 115.57 1upb s ILE 49 Ca 0.00 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.77 1upb s ILE 49 Cb 0.00 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1upb s ILE 49 CO 0.00 0.51 -0.02 -1.81 0.00 0.00 0.00 174.94 173.63 1upb s ASP 50 N 1.32 4.98 0.07 3.58 1.01 -0.50 -4.83 116.67 122.29 1upb s ASP 50 Ca 0.05 -0.08 -0.24 0.00 0.71 0.00 0.00 52.55 52.99 1upb s ASP 50 Cb -0.13 -1.25 -0.06 0.00 1.01 0.00 0.00 42.92 42.49 1upb s ASP 50 CO -0.12 0.26 0.72 0.12 0.21 0.00 0.00 175.17 176.35 1upb s PHE 51 N -1.12 3.77 -0.34 4.23 5.36 -1.26 -1.24 117.98 127.39 1upb s PHE 51 Ca 0.20 1.45 -0.00 0.00 -0.96 0.00 0.00 56.93 57.62 1upb s PHE 51 Cb -0.11 -2.74 0.08 0.00 -0.34 0.00 0.00 43.02 39.90 1upb s PHE 51 CO 0.11 0.37 0.06 0.08 -1.46 0.00 0.00 175.22 174.39 1upb s VAL 52 N -0.43 2.83 -0.05 3.12 1.01 0.13 -4.92 120.40 122.09 1upb s VAL 52 Ca 0.36 -1.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.21 1upb s VAL 52 Cb -0.21 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1upb s VAL 52 CO 0.22 -0.38 1.04 -0.22 0.00 0.00 0.00 175.10 175.76 1upb s LEU 53 N 1.12 4.31 0.49 3.92 2.96 -1.26 -1.86 118.68 128.36 1upb s LEU 53 Ca 0.02 1.66 0.06 0.00 -0.22 0.00 0.00 54.13 55.65 1upb s LEU 53 Cb -0.21 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 42.93 1upb s LEU 53 CO -0.04 -0.40 0.35 0.42 -1.32 0.00 0.00 176.35 175.36 1upb s THR 54 N 1.61 2.00 -0.21 3.68 -4.23 -0.54 -4.92 115.64 113.03 1upb s THR 54 Ca 0.52 -1.50 0.21 0.00 -1.18 0.00 0.00 61.69 59.74 1upb s THR 54 Cb -0.21 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.09 1upb s THR 54 CO 0.23 0.00 0.99 0.54 -0.54 0.00 0.00 174.62 175.84 1upb n ARG 55 N -1.61 0.61 -3.87 3.99 5.12 -1.26 -4.76 116.66 114.88 1upb n ARG 55 Ca -0.00 0.14 -0.11 0.00 -1.93 0.00 0.00 57.85 55.94 1upb n ARG 55 Cb 0.64 -1.82 -0.10 0.00 -1.16 0.00 0.00 32.46 30.02 1upb n ARG 55 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1upb s HIS 56 N -3.28 0.03 0.33 -1.55 2.46 -1.26 -5.03 115.29 107.00 1upb s HIS 56 Ca -0.01 -0.12 0.06 0.00 0.47 0.00 0.00 55.06 55.47 1upb s HIS 56 Cb 0.09 -0.04 0.59 0.00 -0.13 0.00 0.00 32.58 33.09 1upb s HIS 56 CO 0.80 -0.28 1.81 0.93 -2.47 0.00 0.00 174.74 175.53 1upb h GLU 57 N 4.33 0.34 -0.53 2.88 3.07 -1.90 -2.85 114.58 119.92 1upb h GLU 57 Ca -0.31 -0.11 0.10 0.00 -0.50 0.00 0.00 59.36 58.54 1upb h GLU 57 Cb 1.19 -0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 29.00 1upb h GLU 57 CO 0.41 0.54 0.08 0.35 -1.40 0.00 0.00 179.01 178.99 1upb h PHE 58 N 0.31 0.13 -0.89 4.33 3.57 -1.88 -0.57 116.94 121.93 1upb h PHE 58 Ca 0.05 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1upb h PHE 58 Cb 0.55 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 1upb h PHE 58 CO 0.01 -0.04 0.59 1.15 -2.23 0.00 0.00 178.31 177.79 1upb h THR 59 N 0.21 1.22 0.15 4.41 2.02 -1.87 -1.68 112.91 117.38 1upb h THR 59 Ca 0.27 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1upb h THR 59 Cb 0.39 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1upb h THR 59 CO -0.37 0.22 -0.07 0.00 0.37 0.00 0.00 175.52 175.66 1upb h ALA 60 N 1.45 -0.21 -0.51 6.16 0.00 -1.10 -1.83 119.26 123.22 1upb h ALA 60 Ca 0.33 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1upb h ALA 60 Cb -0.12 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1upb h ALA 60 CO -0.08 -0.55 0.24 0.78 0.00 0.00 0.00 179.25 179.65 1upb h GLY 61 N -0.34 0.71 1.20 0.00 0.00 -0.93 -2.46 103.07 101.24 1upb h GLY 61 Ca -0.02 -0.16 -0.15 0.00 0.00 0.00 0.00 47.33 47.00 1upb h GLY 61 CO 0.03 0.08 -0.37 -2.08 0.00 0.00 0.00 176.54 174.21 1upb h VAL 62 N 0.46 1.28 -0.97 4.60 2.07 -1.31 -1.30 116.25 121.08 1upb h VAL 62 Ca 0.23 -1.54 0.01 0.00 0.82 0.00 0.00 66.70 66.23 1upb h VAL 62 Cb 0.17 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1upb h VAL 62 CO -0.18 0.51 0.64 0.00 0.02 0.00 0.00 177.57 178.56 1upb h ALA 63 N 0.85 1.32 -0.38 1.67 0.00 -1.18 -0.34 119.26 121.21 1upb h ALA 63 Ca 0.06 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1upb h ALA 63 Cb 0.94 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1upb h ALA 63 CO 0.09 0.63 -0.37 0.00 0.00 0.00 0.00 179.25 179.60 1upb h ALA 64 N 1.40 0.64 -0.16 0.00 0.00 -1.26 -1.00 119.26 118.87 1upb h ALA 64 Ca 0.36 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1upb h ALA 64 Cb -0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1upb h ALA 64 CO -0.08 0.67 0.05 0.22 0.00 0.00 0.00 179.25 180.12 1upb h ASP 65 N 0.73 0.06 -0.31 0.00 1.82 -0.41 -1.20 116.42 117.12 1upb h ASP 65 Ca 0.07 0.02 -0.11 0.00 -0.39 0.00 0.00 57.03 56.61 1upb h ASP 65 Cb 0.94 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.96 1upb h ASP 65 CO 0.09 0.06 -0.24 0.58 -1.61 0.00 0.00 179.24 178.12 1upb h VAL 66 N 0.13 1.30 -0.53 2.25 2.07 -1.03 -1.33 116.25 119.10 1upb h VAL 66 Ca 0.07 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 1upb h VAL 66 Cb 0.04 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1upb h VAL 66 CO -0.07 0.45 0.29 0.25 0.02 0.00 0.00 177.57 178.50 1upb h LEU 67 N 0.46 0.65 -0.59 2.57 5.85 -1.10 -1.70 115.31 121.46 1upb h LEU 67 Ca 0.06 -0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.59 1upb h LEU 67 Cb 0.80 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1upb h LEU 67 CO 0.06 0.53 -0.38 0.00 -0.34 0.00 0.00 178.44 178.32 1upb h ALA 68 N 1.57 0.77 -0.27 1.25 0.00 -1.02 -1.61 119.26 119.96 1upb h ALA 68 Ca 0.19 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1upb h ALA 68 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1upb h ALA 68 CO -0.03 0.65 0.15 -0.09 0.00 0.00 0.00 179.25 179.93 1upb h ARG 69 N 0.58 0.38 0.08 0.00 2.43 -0.60 0.37 114.38 117.61 1upb h ARG 69 Ca 0.05 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.03 1upb h ARG 69 Cb 0.91 -0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.40 1upb h ARG 69 CO 0.08 0.32 -0.65 0.82 -1.51 0.00 0.00 179.97 179.03 1upb h ILE 70 N 0.33 1.51 0.00 1.20 2.04 -1.28 -3.24 117.51 118.07 1upb h ILE 70 Ca 0.10 -2.35 -0.07 0.00 1.00 0.00 0.00 64.86 63.54 1upb h ILE 70 Cb 0.05 3.01 -0.01 0.00 -0.74 0.00 0.00 36.82 39.14 1upb h ILE 70 CO -0.02 0.66 -0.34 0.71 0.00 0.00 0.00 178.15 179.17 1upb h THR 71 N -0.35 0.69 -0.36 -0.27 1.35 -1.38 -3.47 112.91 109.12 1upb h THR 71 Ca -0.10 -1.57 -0.15 0.00 -0.55 0.00 0.00 66.41 64.03 1upb h THR 71 Cb 1.45 2.03 -0.06 0.00 -1.73 0.00 0.00 68.15 69.85 1upb h THR 71 CO 0.12 0.33 -0.14 0.61 -0.25 0.00 0.00 175.52 176.19 1upb n GLY 72 N 0.58 0.94 3.34 5.82 0.00 0.12 -5.03 105.19 110.96 1upb n GLY 72 Ca 0.01 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 1upb n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upb s ARG 73 N -2.43 1.27 0.34 1.61 0.52 -1.21 -4.84 118.95 114.21 1upb s ARG 73 Ca 0.00 -1.31 -0.29 0.00 -0.52 0.00 0.00 55.73 53.62 1upb s ARG 73 Cb 0.00 -1.56 -0.12 0.00 0.52 0.00 0.00 34.95 33.80 1upb s ARG 73 CO 0.00 0.35 1.43 -2.30 0.02 0.00 0.00 175.30 174.80 1upb n PRO 74 N 0.76 2.42 -4.56 3.54 -0.02 -1.26 -4.32 135.00 131.57 1upb n PRO 74 Ca -0.17 0.85 -0.26 0.00 -2.02 0.00 0.00 63.50 61.90 1upb n PRO 74 Cb 0.54 -2.53 -0.09 0.00 -0.02 0.00 0.00 33.50 31.41 1upb n PRO 74 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1upb s GLN 75 N -1.61 1.93 -0.00 -0.52 -1.52 -0.91 -4.59 119.66 112.43 1upb s GLN 75 Ca 0.57 -2.16 -0.00 0.00 -1.95 0.00 0.00 55.36 51.81 1upb s GLN 75 Cb -0.53 -0.92 0.00 0.00 -0.22 0.00 0.00 33.01 31.34 1upb s GLN 75 CO 0.60 -0.36 0.01 0.00 -0.25 0.00 0.00 175.29 175.28 1upb s ALA 76 N -3.13 -0.03 0.19 6.09 0.00 -1.26 -0.37 121.76 123.26 1upb s ALA 76 Ca 0.23 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.22 1upb s ALA 76 Cb 0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 1upb s ALA 76 CO 0.12 -0.01 0.05 0.00 0.00 0.00 0.00 175.76 175.92 1upb s TRP 78 N -3.79 -0.32 0.15 0.00 -0.11 0.39 -1.41 118.94 113.85 1upb s TRP 78 Ca 0.29 0.76 -0.07 0.00 1.22 0.00 0.00 56.10 58.30 1upb s TRP 78 Cb 0.07 0.10 -0.01 0.00 -1.50 0.00 0.00 33.47 32.12 1upb s TRP 78 CO 0.07 -0.17 0.23 0.00 -4.62 0.00 0.00 176.95 172.46 1upb s ALA 79 N 0.49 0.18 0.90 5.86 0.00 -0.38 -2.27 121.76 126.54 1upb s ALA 79 Ca -0.03 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 50.84 1upb s ALA 79 Cb -0.04 0.85 0.15 0.00 0.00 0.00 0.00 23.12 24.08 1upb s ALA 79 CO -0.03 -0.61 0.94 -2.37 0.00 0.00 0.00 175.76 173.70 1upb n THR 80 N -0.18 0.00 -1.22 0.00 5.66 -1.23 -1.67 114.28 115.63 1upb n THR 80 Ca -0.07 -0.87 -0.29 0.00 -3.05 0.00 0.00 64.05 59.77 1upb n THR 80 Cb 0.63 -1.45 0.18 0.00 -1.55 0.00 0.00 70.33 68.14 1upb n THR 80 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1upb s LEU 81 N 0.00 1.51 0.00 1.09 2.34 -1.20 -1.80 118.68 120.62 1upb s LEU 81 Ca 0.55 1.05 0.00 0.00 0.06 0.00 0.00 54.13 55.79 1upb s LEU 81 Cb -0.02 -3.18 0.00 0.00 -0.56 0.00 0.00 46.19 42.43 1upb s LEU 81 CO 0.38 -3.21 0.00 0.61 -1.06 0.00 0.00 176.35 173.08 1upb n GLY 82 N -1.27 2.01 0.26 -3.48 0.00 -1.07 -1.85 105.19 99.79 1upb n GLY 82 Ca 0.06 0.39 0.15 0.00 0.00 0.00 0.00 46.02 46.62 1upb n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1upb h PRO 83 N 0.00 0.00 0.02 1.61 0.13 -1.86 -2.14 132.00 129.76 1upb h PRO 83 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.16 1upb h PRO 83 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1upb h PRO 83 CO 0.00 0.02 -0.28 0.78 -0.23 0.00 0.00 178.00 178.30 1upb h GLY 84 N 2.58 -0.44 1.01 1.56 0.00 -1.50 -1.62 103.07 104.66 1upb h GLY 84 Ca -0.00 0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.66 1upb h GLY 84 CO 0.00 -0.22 0.50 1.98 0.00 0.00 0.00 176.54 178.80 1upb h MET 85 N -0.43 1.09 -0.20 4.80 1.85 -0.74 -0.68 114.93 120.62 1upb h MET 85 Ca 0.06 -0.09 -0.13 0.00 -0.61 0.00 0.00 59.70 58.93 1upb h MET 85 Cb 0.51 -0.23 -0.01 0.00 0.43 0.00 0.00 31.60 32.29 1upb h MET 85 CO -0.23 0.75 -0.43 1.79 -0.40 0.00 0.00 176.91 178.40 1upb h THR 86 N 1.10 1.31 -0.62 -0.77 1.35 -1.41 -0.85 112.91 113.02 1upb h THR 86 Ca 0.29 -1.60 -0.09 0.00 -0.55 0.00 0.00 66.41 64.46 1upb h THR 86 Cb -0.07 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 67.95 1upb h THR 86 CO -0.06 0.50 0.03 0.78 -0.25 0.00 0.00 175.52 176.52 1upb h ASN 87 N 0.40 1.05 -0.06 5.36 2.35 -1.01 -2.60 115.58 121.08 1upb h ASN 87 Ca 0.03 -0.28 -0.03 0.00 -0.55 0.00 0.00 56.30 55.47 1upb h ASN 87 Cb 0.92 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 1upb h ASN 87 CO 0.08 1.08 -0.04 0.25 -1.65 0.00 0.00 177.43 177.15 1upb h LEU 88 N 0.99 0.23 -2.30 1.61 6.46 -0.78 -3.18 115.31 118.34 1upb h LEU 88 Ca 0.18 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 1upb h LEU 88 Cb 0.52 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.40 1upb h LEU 88 CO 0.03 0.31 -0.03 0.77 -0.62 0.00 0.00 178.44 178.89 1upb h SER 89 N 0.24 0.00 0.33 1.25 4.64 -0.74 0.13 113.55 119.40 1upb h SER 89 Ca 0.06 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.23 1upb h SER 89 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1upb h SER 89 CO 0.01 0.03 -0.58 0.74 -0.87 0.00 0.00 176.83 176.16 1upb h THR 90 N 0.00 1.37 -0.46 2.95 2.02 -1.66 0.19 112.91 117.32 1upb h THR 90 Ca -0.00 -1.92 -0.13 0.00 0.77 0.00 0.00 66.41 65.13 1upb h THR 90 Cb 0.09 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 1upb h THR 90 CO 0.00 0.57 -0.22 1.23 0.37 0.00 0.00 175.52 177.47 1upb h GLY 91 N 1.43 1.04 1.01 2.16 0.00 -1.02 -1.83 103.07 105.86 1upb h GLY 91 Ca -0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 47.33 46.38 1upb h GLY 91 CO 0.09 0.85 0.40 -2.22 0.00 0.00 0.00 176.54 175.65 1upb h ILE 92 N 0.80 1.22 -0.48 2.60 2.04 -0.79 -1.47 117.51 121.43 1upb h ILE 92 Ca 0.10 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 1upb h ILE 92 Cb 0.79 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1upb h ILE 92 CO 0.07 0.25 0.08 0.00 0.00 0.00 0.00 178.15 178.55 1upb h ALA 93 N 1.20 1.25 -0.40 1.87 0.00 -0.53 -0.59 119.26 122.06 1upb h ALA 93 Ca 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1upb h ALA 93 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1upb h ALA 93 CO -0.04 0.51 0.20 1.15 0.00 0.00 0.00 179.25 181.08 1upb h THR 94 N 0.71 1.16 -0.43 0.00 2.02 -0.90 -1.90 112.91 113.57 1upb h THR 94 Ca 0.15 -0.44 -0.10 0.00 0.77 0.00 0.00 66.41 66.79 1upb h THR 94 Cb 0.31 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1upb h THR 94 CO 0.00 0.17 -0.14 -1.28 0.37 0.00 0.00 175.52 174.64 1upb h SER 95 N 0.51 0.78 0.58 4.18 0.87 -0.29 0.22 113.55 120.39 1upb h SER 95 Ca 0.14 -0.25 -0.18 0.00 -1.23 0.00 0.00 61.79 60.27 1upb h SER 95 Cb 0.09 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1upb h SER 95 CO -0.02 0.93 -0.82 1.62 -0.53 0.00 0.00 176.83 178.02 1upb h VAL 96 N 0.71 1.49 0.10 2.23 3.04 -0.98 -0.83 116.25 122.01 1upb h VAL 96 Ca 0.11 -2.52 -0.34 0.00 -1.01 0.00 0.00 66.70 62.94 1upb h VAL 96 Cb 0.63 2.39 -0.02 0.00 -2.01 0.00 0.00 31.29 32.28 1upb h VAL 96 CO 0.04 0.73 -1.87 -0.07 -1.01 0.00 0.00 177.57 175.40 1upb h LEU 97 N 0.10 0.34 -0.01 3.16 3.38 -1.29 -3.36 115.31 117.63 1upb h LEU 97 Ca -0.03 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.24 1upb h LEU 97 Cb 1.42 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1upb h LEU 97 CO 0.12 1.62 0.00 0.44 0.09 0.00 0.00 178.44 180.71 1upb h ASP 98 N 0.06 0.00 -3.64 -0.43 3.32 -1.05 -3.40 116.42 111.28 1upb h ASP 98 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1upb h ASP 98 Cb 2.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.58 1upb h ASP 98 CO 0.10 0.00 -0.32 0.54 -1.72 0.00 0.00 179.24 177.85 1upb n ARG 99 N -2.80 -1.09 -3.78 3.56 5.12 -0.37 -4.93 116.66 112.37 1upb n ARG 99 Ca 0.05 1.22 -0.13 0.00 -1.93 0.00 0.00 57.85 57.05 1upb n ARG 99 Cb 0.49 -2.33 -0.11 0.00 -1.16 0.00 0.00 32.46 29.36 1upb n ARG 99 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1upb s SER 100 N -0.47 -0.27 -0.88 0.55 1.04 -0.86 -4.84 113.70 107.97 1upb s SER 100 Ca -0.01 0.46 -0.25 0.00 0.48 0.00 0.00 55.95 56.64 1upb s SER 100 Cb 0.00 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.69 1upb s SER 100 CO 0.24 -0.17 1.38 -2.16 0.98 0.00 0.00 173.24 173.51 1upb s PRO 101 N -0.16 3.38 -0.11 4.02 0.04 -1.26 -2.91 135.00 138.00 1upb s PRO 101 Ca -0.03 -0.67 0.04 0.00 0.04 0.00 0.00 61.00 60.38 1upb s PRO 101 Cb -0.03 -4.77 0.00 0.00 0.04 0.00 0.00 34.50 29.74 1upb s PRO 101 CO 0.01 -2.20 -0.24 0.08 0.04 0.00 0.00 177.00 174.70 1upb s VAL 102 N 5.44 2.07 -0.47 -0.36 1.01 -1.17 -2.14 120.40 124.78 1upb s VAL 102 Ca 0.41 -1.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.19 1upb s VAL 102 Cb -0.04 -1.79 0.04 0.00 0.00 0.00 0.00 36.38 34.59 1upb s VAL 102 CO 0.03 0.56 0.58 -0.63 0.00 0.00 0.00 175.10 175.63 1upb s ILE 103 N 0.42 4.92 -0.16 2.22 -1.09 0.51 -0.89 121.20 127.13 1upb s ILE 103 Ca -0.17 -0.31 -0.14 0.00 -2.23 0.00 0.00 60.65 57.80 1upb s ILE 103 Cb -0.18 -4.21 -0.05 0.00 -1.58 0.00 0.00 42.46 36.45 1upb s ILE 103 CO 0.07 -0.65 0.30 0.00 -1.23 0.00 0.00 174.94 173.42 1upb s ALA 104 N 2.54 3.59 -0.07 9.38 0.00 0.23 -1.60 121.76 135.84 1upb s ALA 104 Ca 0.16 -0.45 0.03 0.00 0.00 0.00 0.00 51.96 51.70 1upb s ALA 104 Cb -0.17 -2.39 0.01 0.00 0.00 0.00 0.00 23.12 20.56 1upb s ALA 104 CO 0.14 0.10 -0.16 -0.51 0.00 0.00 0.00 175.76 175.33 1upb s LEU 105 N 0.44 1.79 0.01 0.00 1.43 -0.50 -1.04 118.68 120.81 1upb s LEU 105 Ca 0.17 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1upb s LEU 105 Cb -0.13 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 1upb s LEU 105 CO 0.04 0.08 -0.01 0.00 0.23 0.00 0.00 176.35 176.69 1upb s ALA 106 N 0.50 0.07 0.88 4.21 0.00 -0.80 -1.25 121.76 125.39 1upb s ALA 106 Ca -0.14 -0.19 -0.12 0.00 0.00 0.00 0.00 51.96 51.52 1upb s ALA 106 Cb -0.16 0.03 0.12 0.00 0.00 0.00 0.00 23.12 23.12 1upb s ALA 106 CO 0.05 -0.04 1.09 0.00 0.00 0.00 0.00 175.76 176.87 1upb s ALA 107 N -0.42 1.64 0.12 0.00 0.00 -0.67 -0.55 121.76 121.88 1upb s ALA 107 Ca -0.04 -0.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.75 1upb s ALA 107 Cb -0.03 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 1upb s ALA 107 CO -0.00 -2.27 0.19 -1.14 0.00 0.00 0.00 175.76 172.54 1upb s GLN 108 N -4.97 0.96 0.76 0.00 2.00 -0.18 -3.22 119.66 115.01 1upb s GLN 108 Ca 0.63 -1.13 -0.15 0.00 -2.00 0.00 0.00 55.36 52.70 1upb s GLN 108 Cb -0.17 0.33 -0.01 0.00 0.80 0.00 0.00 33.01 33.96 1upb s GLN 108 CO 0.56 -0.32 0.69 0.43 -0.50 0.00 0.00 175.29 176.16 1upb n SER 109 N -0.11 -0.65 -4.57 6.67 7.64 -1.26 -1.67 113.62 119.66 1upb n SER 109 Ca -0.10 0.58 -0.48 0.00 1.01 0.00 0.00 58.87 59.87 1upb n SER 109 Cb 0.63 -1.29 -0.04 0.00 -1.01 0.00 0.00 64.21 62.50 1upb n SER 109 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1upb n GLU 110 N -1.37 1.09 -0.27 1.43 4.71 -1.26 -3.95 120.64 121.02 1upb n GLU 110 Ca 0.11 0.39 0.07 0.00 -0.01 0.00 0.00 57.16 57.71 1upb n GLU 110 Cb 0.50 -1.83 0.18 0.00 -1.01 0.00 0.00 31.44 29.29 1upb n GLU 110 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1upb h SER 111 N 2.96 -0.33 0.58 1.62 4.64 -1.89 0.98 113.55 122.12 1upb h SER 111 Ca -0.42 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1upb h SER 111 Cb 1.35 0.35 0.00 0.00 -0.31 0.00 0.00 62.40 63.80 1upb h SER 111 CO 0.67 -0.19 0.00 0.00 -0.87 0.00 0.00 176.83 176.44 1upb n HIS 112 N -5.35 0.00 -0.94 4.77 1.44 -1.26 -3.03 115.22 110.85 1upb n HIS 112 Ca 0.15 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.95 1upb n HIS 112 Cb 0.52 -0.44 0.14 0.00 0.12 0.00 0.00 29.99 30.34 1upb n HIS 112 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1upb n ASP 113 N -1.44 2.55 -4.56 4.39 2.03 0.32 -4.97 116.55 114.86 1upb n ASP 113 Ca 0.06 -2.96 -0.41 0.00 0.52 0.00 0.00 54.79 52.00 1upb n ASP 113 Cb 0.21 -0.40 -0.03 0.00 -0.72 0.00 0.00 41.12 40.18 1upb n ASP 113 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1upb s ILE 114 N -2.66 3.84 -0.39 5.18 1.01 -1.05 -4.77 121.20 122.35 1upb s ILE 114 Ca 0.30 0.63 0.01 0.00 0.00 0.00 0.00 60.65 61.59 1upb s ILE 114 Cb 0.26 -4.79 0.14 0.00 0.01 0.00 0.00 42.46 38.08 1upb s ILE 114 CO 0.04 -1.58 0.23 -0.36 0.00 0.00 0.00 174.94 173.27 1upb s PHE 115 N 5.51 1.24 0.24 3.97 0.08 -1.26 -5.05 117.98 122.70 1upb s PHE 115 Ca 0.40 -1.97 -0.31 0.00 0.12 0.00 0.00 56.93 55.17 1upb s PHE 115 Cb -0.08 -1.30 -0.13 0.00 -0.57 0.00 0.00 43.02 40.94 1upb s PHE 115 CO 0.20 -0.81 1.51 -2.30 -0.10 0.00 0.00 175.22 173.73 1upb n PRO 116 N 3.78 2.29 -1.02 0.24 -0.02 -1.26 -1.36 135.00 137.65 1upb n PRO 116 Ca 0.12 0.82 -0.01 0.00 -2.02 0.00 0.00 63.50 62.41 1upb n PRO 116 Cb 0.37 -2.54 -0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1upb n PRO 116 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1upb n ASN 117 N 2.53 -3.99 0.05 2.55 3.02 -0.10 -4.76 115.26 114.57 1upb n ASN 117 Ca 0.12 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1upb n ASN 117 Cb 0.33 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 37.95 1upb n ASN 117 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1upb n ASP 118 N -0.23 0.17 -4.77 6.41 8.00 -0.69 -5.05 116.55 120.40 1upb n ASP 118 Ca -0.01 0.18 -0.41 0.00 0.71 0.00 0.00 54.79 55.26 1upb n ASP 118 Cb 0.17 0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 41.32 1upb n ASP 118 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1upb s THR 119 N -2.00 2.08 -0.20 -3.53 2.01 -0.46 -4.90 115.64 108.64 1upb s THR 119 Ca 0.00 0.07 -0.39 0.00 0.31 0.00 0.00 61.69 61.69 1upb s THR 119 Cb 0.00 -3.05 -0.15 0.00 0.01 0.00 0.00 72.50 69.31 1upb s THR 119 CO 0.00 0.02 1.71 1.57 -0.69 0.00 0.00 174.62 177.22 1upb n HIS 120 N 1.22 2.03 -1.13 4.92 -0.00 -1.26 -1.51 115.22 119.48 1upb n HIS 120 Ca 0.04 0.48 -0.05 0.00 0.46 0.00 0.00 57.72 58.65 1upb n HIS 120 Cb 0.38 -2.47 -0.02 0.00 -0.12 0.00 0.00 29.99 27.77 1upb n HIS 120 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1upb n GLN 121 N 5.14 -1.37 -3.26 1.57 6.02 -1.26 -4.96 117.38 119.26 1upb n GLN 121 Ca 0.25 0.57 -0.41 0.00 -0.01 0.00 0.00 57.00 57.40 1upb n GLN 121 Cb 0.16 -4.70 -0.08 0.00 1.02 0.00 0.00 30.24 26.64 1upb n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1upb s LEU 123 N 2.34 2.85 -1.30 0.00 1.43 -1.26 -0.92 118.68 121.82 1upb s LEU 123 Ca 0.18 -0.73 -0.18 0.00 -1.03 0.00 0.00 54.13 52.37 1upb s LEU 123 Cb -0.16 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.62 1upb s LEU 123 CO 0.12 0.07 1.87 -0.67 0.23 0.00 0.00 176.35 177.98 1upb n ASP 124 N -0.25 4.41 -0.16 2.29 -0.08 -1.26 -4.81 116.55 116.69 1upb n ASP 124 Ca -0.09 -2.87 -0.05 0.00 -1.51 0.00 0.00 54.79 50.27 1upb n ASP 124 Cb 0.57 -1.71 0.05 0.00 2.34 0.00 0.00 41.12 42.37 1upb n ASP 124 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1upb h SER 125 N 7.51 0.39 -0.86 1.67 0.02 -1.98 -2.05 113.55 118.24 1upb h SER 125 Ca 0.45 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.41 1upb h SER 125 Cb 0.82 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.27 1upb h SER 125 CO 1.54 0.27 0.52 0.58 -1.14 0.00 0.00 176.83 178.60 1upb h VAL 126 N 0.51 1.24 -0.18 2.27 2.07 -1.92 -0.61 116.25 119.63 1upb h VAL 126 Ca 0.22 -0.53 -0.13 0.00 0.82 0.00 0.00 66.70 67.08 1upb h VAL 126 Cb 0.11 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1upb h VAL 126 CO -0.14 0.25 -0.43 0.00 0.02 0.00 0.00 177.57 177.27 1upb h ALA 127 N 1.28 0.92 -0.29 1.67 0.00 -1.84 0.17 119.26 121.17 1upb h ALA 127 Ca 0.31 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1upb h ALA 127 Cb -0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1upb h ALA 127 CO -0.06 0.64 -0.47 0.82 0.00 0.00 0.00 179.25 180.18 1upb h ILE 128 N 0.36 1.28 0.00 0.00 2.04 -0.88 -3.35 117.51 116.97 1upb h ILE 128 Ca 0.03 -1.66 -0.06 0.00 1.00 0.00 0.00 64.86 64.17 1upb h ILE 128 Cb 0.91 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 1upb h ILE 128 CO 0.08 0.54 -1.44 0.52 0.00 0.00 0.00 178.15 177.84 1upb n VAL 129 N -4.08 0.64 -0.31 1.67 0.31 -0.28 -4.39 118.33 111.88 1upb n VAL 129 Ca -0.04 -0.59 0.05 0.00 -0.01 0.00 0.00 64.34 63.74 1upb n VAL 129 Cb 0.59 -0.35 0.20 0.00 -0.91 0.00 0.00 33.84 33.36 1upb n VAL 129 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1upb h ALA 130 N 1.80 1.29 0.00 3.52 0.00 -1.09 -1.52 119.26 123.27 1upb h ALA 130 Ca -0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1upb h ALA 130 Cb 1.22 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1upb h ALA 130 CO 0.01 0.12 0.00 -1.35 0.00 0.00 0.00 179.25 178.03 1upb h PRO 131 N 0.84 0.00 -0.16 0.00 0.11 -1.78 -3.02 132.00 127.98 1upb h PRO 131 Ca 0.44 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.48 1upb h PRO 131 Cb 0.43 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.51 1upb h PRO 131 CO -0.27 0.00 -0.16 0.00 -0.21 0.00 0.00 178.00 177.37 1upb n MET 132 N -2.52 1.84 -4.09 1.05 0.00 -0.59 -5.04 117.12 107.77 1upb n MET 132 Ca 0.01 -3.02 -0.10 0.00 0.00 0.00 0.00 57.70 54.59 1upb n MET 132 Cb 0.24 -1.70 -0.09 0.00 0.00 0.00 0.00 33.22 31.68 1upb n MET 132 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1upb s SER 133 N -2.69 0.17 0.28 3.17 1.04 -1.08 -4.64 113.70 109.95 1upb s SER 133 Ca 0.40 -1.12 0.24 0.00 0.48 0.00 0.00 55.95 55.95 1upb s SER 133 Cb 0.36 0.38 0.47 0.00 0.10 0.00 0.00 66.02 67.32 1upb s SER 133 CO 0.00 -0.83 1.56 0.11 0.98 0.00 0.00 173.24 175.06 1upb h LYS 134 N 2.67 0.00 -1.29 4.02 1.79 -0.87 -3.47 116.57 119.42 1upb h LYS 134 Ca -0.34 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.27 1upb h LYS 134 Cb 1.22 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.57 1upb h LYS 134 CO 0.53 0.00 0.71 -0.47 -1.08 0.00 0.00 179.45 179.13 1upb s TYR 135 N -3.18 -0.23 -0.23 -1.35 5.04 -1.26 -4.92 117.35 111.23 1upb s TYR 135 Ca 0.07 0.56 -0.11 0.00 -2.44 0.00 0.00 57.07 55.15 1upb s TYR 135 Cb 0.09 0.43 0.08 0.00 0.35 0.00 0.00 41.96 42.92 1upb s TYR 135 CO 0.67 -0.11 0.54 0.00 -1.34 0.00 0.00 175.55 175.30 1upb s ALA 136 N 0.09 -1.47 0.08 3.97 0.00 -1.26 -0.74 121.76 122.43 1upb s ALA 136 Ca 0.06 1.93 -0.15 0.00 0.00 0.00 0.00 51.96 53.80 1upb s ALA 136 Cb -0.05 -1.27 0.03 0.00 0.00 0.00 0.00 23.12 21.83 1upb s ALA 136 CO -0.12 -0.46 0.36 0.54 0.00 0.00 0.00 175.76 176.08 1upb s VAL 137 N 1.86 0.08 -0.15 0.00 0.11 -0.76 -4.99 120.40 116.55 1upb s VAL 137 Ca -0.08 -0.64 -0.01 0.00 -2.93 0.00 0.00 61.98 58.32 1upb s VAL 137 Cb -0.08 -1.08 -0.02 0.00 -1.53 0.00 0.00 36.38 33.67 1upb s VAL 137 CO -0.16 -0.35 -0.11 -0.70 -3.33 0.00 0.00 175.10 170.45 1upb s GLU 138 N -3.18 3.42 0.23 1.54 2.12 -1.26 -0.30 118.70 121.26 1upb s GLU 138 Ca -0.01 -0.65 -0.32 0.00 0.36 0.00 0.00 54.97 54.35 1upb s GLU 138 Cb 0.01 -2.72 -0.12 0.00 0.26 0.00 0.00 34.13 31.56 1upb s GLU 138 CO -0.07 0.16 1.68 -0.11 -0.54 0.00 0.00 175.26 176.38 1upb n LEU 139 N 3.69 4.02 -0.00 2.70 7.94 -0.17 -4.91 117.00 130.27 1upb n LEU 139 Ca -0.18 1.08 -0.00 0.00 -1.11 0.00 0.00 56.01 55.80 1upb n LEU 139 Cb 0.52 -1.57 -0.00 0.00 0.53 0.00 0.00 43.42 42.91 1upb n LEU 139 CO 0.31 0.14 -0.50 0.00 -1.11 0.00 0.00 177.39 176.23 1upb n GLN 140 N 3.48 1.66 -3.95 1.96 6.02 -1.26 -4.62 117.38 120.67 1upb n GLN 140 Ca 0.14 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.84 1upb n GLN 140 Cb 0.35 -1.00 -0.16 0.00 1.02 0.00 0.00 30.24 30.45 1upb n GLN 140 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1upb s ARG 141 N -2.00 1.80 0.28 -1.09 0.52 -1.26 -5.05 118.95 112.14 1upb s ARG 141 Ca -0.00 -0.64 -0.03 0.00 -0.52 0.00 0.00 55.73 54.54 1upb s ARG 141 Cb 0.00 -2.16 0.58 0.00 0.52 0.00 0.00 34.95 33.89 1upb s ARG 141 CO 0.00 -0.39 1.59 -1.35 0.02 0.00 0.00 175.30 175.17 1upb h PRO 142 N 8.05 0.04 0.00 3.54 0.11 -1.85 -0.54 132.00 141.35 1upb h PRO 142 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1upb h PRO 142 Cb 1.11 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1upb h PRO 142 CO 0.45 0.03 0.00 -2.39 -0.21 0.00 0.00 178.00 175.88 1upb n HIS 143 N -5.46 0.71 1.13 0.65 1.44 -1.25 -2.53 115.22 109.90 1upb n HIS 143 Ca 0.18 0.31 0.14 0.00 -2.01 0.00 0.00 57.72 56.35 1upb n HIS 143 Cb 0.61 -1.00 0.66 0.00 0.12 0.00 0.00 29.99 30.37 1upb n HIS 143 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1upb n GLU 144 N -2.18 0.13 -0.18 -1.40 1.02 -0.21 -3.80 120.64 114.02 1upb n GLU 144 Ca 0.01 -0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.31 1upb n GLU 144 Cb 0.15 -1.50 0.51 0.00 -0.02 0.00 0.00 31.44 30.58 1upb n GLU 144 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1upb h ILE 145 N 0.00 0.76 -0.04 -3.67 6.09 -1.65 -0.57 117.51 118.44 1upb h ILE 145 Ca 0.00 -0.14 0.01 0.00 -1.37 0.00 0.00 64.86 63.36 1upb h ILE 145 Cb 0.44 0.33 -0.01 0.00 0.47 0.00 0.00 36.82 38.05 1upb h ILE 145 CO 0.00 0.07 -0.01 0.74 -3.07 0.00 0.00 178.15 175.88 1upb h THR 146 N 0.40 0.96 0.00 2.19 2.02 -1.84 -0.49 112.91 116.15 1upb h THR 146 Ca 0.39 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.49 1upb h THR 146 Cb 0.94 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1upb h THR 146 CO -0.13 0.00 -0.40 -2.24 0.37 0.00 0.00 175.52 173.12 1upb h ASP 147 N -0.00 0.00 -0.27 4.18 3.04 -1.44 -2.58 116.42 119.35 1upb h ASP 147 Ca 0.02 0.00 -0.19 0.00 -3.24 0.00 0.00 57.03 53.62 1upb h ASP 147 Cb 0.03 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.32 1upb h ASP 147 CO -0.04 0.40 -0.57 -0.07 -2.04 0.00 0.00 179.24 176.92 1upb h LEU 148 N 0.00 0.98 -0.78 0.15 3.38 -0.82 -0.74 115.31 117.48 1upb h LEU 148 Ca -0.00 -0.53 -0.06 0.00 0.09 0.00 0.00 57.88 57.38 1upb h LEU 148 Cb 0.94 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1upb h LEU 148 CO 0.05 1.33 0.24 0.58 0.09 0.00 0.00 178.44 180.74 1upb h VAL 149 N 0.66 1.26 -0.47 1.22 2.07 -1.08 -0.41 116.25 119.50 1upb h VAL 149 Ca 0.01 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 1upb h VAL 149 Cb 1.18 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1upb h VAL 149 CO 0.13 0.35 0.11 0.44 0.02 0.00 0.00 177.57 178.62 1upb h ASP 150 N 1.11 0.73 0.03 0.57 3.32 -1.13 -0.65 116.42 120.41 1upb h ASP 150 Ca 0.24 -0.24 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1upb h ASP 150 Cb 0.29 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1upb h ASP 150 CO -0.01 0.78 -0.32 0.28 -1.72 0.00 0.00 179.24 178.25 1upb h SER 151 N 0.64 0.42 0.26 6.45 0.02 -0.97 -0.43 113.55 119.95 1upb h SER 151 Ca 0.15 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1upb h SER 151 Cb 0.34 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1upb h SER 151 CO 0.00 0.72 -0.13 0.00 -1.14 0.00 0.00 176.83 176.29 1upb h ALA 152 N 1.31 -0.35 -0.44 3.77 0.00 -0.84 -1.74 119.26 120.96 1upb h ALA 152 Ca 0.05 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1upb h ALA 152 Cb 0.74 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1upb h ALA 152 CO 0.06 -0.68 0.21 0.28 0.00 0.00 0.00 179.25 179.12 1upb h VAL 153 N -0.39 0.95 -0.53 0.00 2.07 -0.92 0.78 116.25 118.21 1upb h VAL 153 Ca -0.04 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.43 1upb h VAL 153 Cb 0.30 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.49 1upb h VAL 153 CO 0.06 0.08 0.12 0.78 0.02 0.00 0.00 177.57 178.62 1upb h ASN 154 N 0.42 0.02 0.46 0.57 2.35 -0.95 -0.89 115.58 117.56 1upb h ASN 154 Ca 0.19 0.09 -0.20 0.00 -0.55 0.00 0.00 56.30 55.83 1upb h ASN 154 Cb 0.12 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1upb h ASN 154 CO -0.15 0.03 -0.88 0.00 -1.65 0.00 0.00 177.43 174.79 1upb h ALA 155 N 1.41 0.49 -0.23 -0.83 0.00 -0.91 -3.03 119.26 116.15 1upb h ALA 155 Ca 0.27 -0.70 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 1upb h ALA 155 Cb 0.36 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1upb h ALA 155 CO -0.34 0.86 -0.21 0.00 0.00 0.00 0.00 179.25 179.56 1upb h ALA 156 N 0.90 1.20 -0.61 0.00 0.00 -0.50 -3.09 119.26 117.16 1upb h ALA 156 Ca -0.05 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1upb h ALA 156 Cb 1.50 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1upb h ALA 156 CO 0.14 0.52 0.00 -1.33 0.00 0.00 0.00 179.25 178.58 1upb n MET 157 N -4.16 4.00 -3.82 0.00 2.00 -0.37 -1.93 117.12 112.85 1upb n MET 157 Ca -0.00 -2.86 -0.36 0.00 0.00 0.00 0.00 57.70 54.49 1upb n MET 157 Cb 0.37 -2.00 -0.08 0.00 0.00 0.00 0.00 33.22 31.52 1upb n MET 157 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1upb s THR 158 N -2.11 5.35 0.39 2.03 2.01 -1.15 -0.73 115.64 121.43 1upb s THR 158 Ca 0.51 0.16 -0.27 0.00 0.31 0.00 0.00 61.69 62.40 1upb s THR 158 Cb 0.35 -3.40 -0.09 0.00 0.01 0.00 0.00 72.50 69.37 1upb s THR 158 CO 0.21 0.51 1.29 -1.61 -0.69 0.00 0.00 174.62 174.33 1upb s GLU 159 N -0.14 4.06 0.02 4.92 0.41 0.32 -2.66 118.70 125.63 1upb s GLU 159 Ca 0.10 2.14 -0.30 0.00 -0.41 0.00 0.00 54.97 56.50 1upb s GLU 159 Cb -0.11 -2.82 -0.06 0.00 -1.78 0.00 0.00 34.13 29.36 1upb s GLU 159 CO 0.00 -0.41 1.40 -1.25 -0.49 0.00 0.00 175.26 174.51 1upb s PRO 160 N -2.14 4.29 0.61 0.39 0.05 -1.26 -4.86 135.00 132.08 1upb s PRO 160 Ca 0.55 1.98 -0.19 0.00 0.05 0.00 0.00 61.00 63.39 1upb s PRO 160 Cb -0.38 -3.53 -0.03 0.00 0.05 0.00 0.00 34.50 30.62 1upb s PRO 160 CO 0.49 -0.56 1.28 0.14 0.05 0.00 0.00 177.00 178.40 1upb s VAL 161 N 2.22 2.21 0.08 -0.36 -7.23 -1.09 -4.97 120.40 111.27 1upb s VAL 161 Ca 0.64 0.14 -0.15 0.00 -1.81 0.00 0.00 61.98 60.80 1upb s VAL 161 Cb -0.32 -3.06 0.05 0.00 0.56 0.00 0.00 36.38 33.61 1upb s VAL 161 CO 0.27 -0.02 0.70 0.61 -0.31 0.00 0.00 175.10 176.34 1upb n GLY 162 N 0.76 0.72 3.80 2.32 0.00 -0.81 -3.32 105.19 108.66 1upb n GLY 162 Ca 0.14 -1.04 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 1upb n GLY 162 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1upb s PRO 163 N -2.03 4.36 -0.06 1.61 0.04 -1.22 -3.01 135.00 134.70 1upb s PRO 163 Ca 0.16 1.02 0.04 0.00 0.04 0.00 0.00 61.00 62.25 1upb s PRO 163 Cb -0.01 -2.88 -0.02 0.00 0.04 0.00 0.00 34.50 31.62 1upb s PRO 163 CO 0.02 0.37 -0.18 -1.12 0.04 0.00 0.00 177.00 176.14 1upb s SER 164 N -1.61 3.68 -0.10 6.66 0.01 -0.07 -0.19 113.70 122.08 1upb s SER 164 Ca 0.44 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.40 1upb s SER 164 Cb -0.18 -0.89 -0.01 0.00 0.21 0.00 0.00 66.02 65.15 1upb s SER 164 CO 0.22 0.29 -0.17 0.12 0.41 0.00 0.00 173.24 174.11 1upb s PHE 165 N -0.42 2.69 -0.12 2.43 5.36 0.08 -0.60 117.98 127.40 1upb s PHE 165 Ca 0.04 -0.64 0.02 0.00 -0.96 0.00 0.00 56.93 55.39 1upb s PHE 165 Cb -0.12 -1.74 0.01 0.00 -0.34 0.00 0.00 43.02 40.83 1upb s PHE 165 CO 0.02 -0.18 -0.17 0.42 -1.46 0.00 0.00 175.22 173.84 1upb s ILE 166 N 0.07 1.68 -0.09 3.12 1.01 -0.20 -1.83 121.20 124.96 1upb s ILE 166 Ca -0.07 -0.75 -0.16 0.00 0.00 0.00 0.00 60.65 59.66 1upb s ILE 166 Cb -0.15 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 1upb s ILE 166 CO 0.05 0.48 0.43 -0.55 0.00 0.00 0.00 174.94 175.34 1upb s SER 167 N 0.93 6.68 -0.43 3.58 0.15 0.58 -1.90 113.70 123.29 1upb s SER 167 Ca -0.07 0.80 0.02 0.00 0.70 0.00 0.00 55.95 57.41 1upb s SER 167 Cb -0.15 -2.26 0.12 0.00 -1.71 0.00 0.00 66.02 62.03 1upb s SER 167 CO -0.02 0.11 0.20 -0.76 1.20 0.00 0.00 173.24 173.97 1upb s LEU 168 N 0.12 3.33 0.24 3.45 1.43 0.29 -1.00 118.68 126.52 1upb s LEU 168 Ca 0.24 -2.54 -0.31 0.00 -1.03 0.00 0.00 54.13 50.48 1upb s LEU 168 Cb -0.15 -1.25 -0.13 0.00 0.03 0.00 0.00 46.19 44.69 1upb s LEU 168 CO 0.10 -0.29 1.51 -2.65 0.23 0.00 0.00 176.35 175.25 1upb n PRO 169 N 3.69 2.28 0.20 1.29 -0.02 -1.26 -1.01 135.00 140.17 1upb n PRO 169 Ca 0.06 0.81 0.04 0.00 -2.02 0.00 0.00 63.50 62.39 1upb n PRO 169 Cb 0.36 -2.54 0.42 0.00 -0.02 0.00 0.00 33.50 31.72 1upb n PRO 169 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1upb h VAL 170 N 3.29 1.20 -0.56 -1.45 -1.51 -1.44 -1.49 116.25 114.28 1upb h VAL 170 Ca -0.45 -0.96 -0.11 0.00 -1.23 0.00 0.00 66.70 63.95 1upb h VAL 170 Cb 1.25 1.51 -0.02 0.00 -2.13 0.00 0.00 31.29 31.90 1upb h VAL 170 CO 0.81 0.27 -0.08 -2.24 -1.23 0.00 0.00 177.57 175.10 1upb h ASP 171 N 0.01 1.04 -0.19 4.19 2.03 -1.87 -2.56 116.42 119.07 1upb h ASP 171 Ca -0.00 -0.34 -0.17 0.00 -0.73 0.00 0.00 57.03 55.79 1upb h ASP 171 Cb 0.49 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 1upb h ASP 171 CO 0.04 1.14 -0.53 -0.07 -1.03 0.00 0.00 179.24 178.78 1upb h LEU 172 N 0.93 0.80 -0.98 0.15 3.38 -1.73 -2.79 115.31 115.06 1upb h LEU 172 Ca 0.15 -0.58 0.16 0.00 0.09 0.00 0.00 57.88 57.70 1upb h LEU 172 Cb 0.65 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.07 1upb h LEU 172 CO 0.04 1.24 0.59 0.25 0.09 0.00 0.00 178.44 180.65 1upb h LEU 173 N 0.40 0.78 -1.53 1.67 5.85 -1.30 -2.26 115.31 118.92 1upb h LEU 173 Ca -0.01 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1upb h LEU 173 Cb 1.15 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1upb h LEU 173 CO 0.11 0.33 0.00 0.61 -0.34 0.00 0.00 178.44 179.15 1upb n GLY 174 N -1.33 0.95 3.91 3.75 0.00 -0.97 -1.61 105.19 109.89 1upb n GLY 174 Ca 0.21 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1upb n GLY 174 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1upb s SER 175 N -0.99 6.37 0.00 1.61 0.15 -0.85 -4.82 113.70 115.16 1upb s SER 175 Ca 0.28 0.31 0.12 0.00 0.70 0.00 0.00 55.95 57.36 1upb s SER 175 Cb 0.14 -1.98 0.24 0.00 -1.71 0.00 0.00 66.02 62.72 1upb s SER 175 CO 0.19 0.21 1.13 -1.54 1.20 0.00 0.00 173.24 174.42 1upb n SER 176 N 0.57 2.64 -4.68 5.45 3.41 -1.26 -1.37 113.62 118.38 1upb n SER 176 Ca -0.07 -1.81 -0.44 0.00 -0.26 0.00 0.00 58.87 56.29 1upb n SER 176 Cb 0.52 -0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 1upb n SER 176 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1upb n GLU 177 N 0.67 2.68 -0.34 4.33 2.13 -1.26 -2.06 120.64 126.79 1upb n GLU 177 Ca 0.11 0.98 0.00 0.00 0.66 0.00 0.00 57.16 58.90 1upb n GLU 177 Cb 0.39 -2.88 0.00 0.00 0.27 0.00 0.00 31.44 29.22 1upb n GLU 177 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1upb n GLY 178 N 4.36 1.48 3.51 8.31 0.00 -1.26 -3.93 105.19 117.66 1upb n GLY 178 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1upb n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1upb s ILE 179 N -3.03 5.07 0.00 -0.61 1.01 -0.88 -4.75 121.20 118.00 1upb s ILE 179 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1upb s ILE 179 Cb 0.00 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1upb s ILE 179 CO 0.00 -0.34 0.00 -0.90 0.00 0.00 0.00 174.94 173.70 1upb n ASP 180 N 5.65 0.00 0.00 3.58 3.85 -1.26 -5.02 116.55 123.35 1upb n ASP 180 Ca -0.07 0.19 0.00 0.00 -0.71 0.00 0.00 54.79 54.20 1upb n ASP 180 Cb 0.48 -0.28 0.00 0.00 -1.35 0.00 0.00 41.12 39.97 1upb n ASP 180 CO 0.00 0.00 0.00 -0.81 -1.01 0.00 0.00 177.20 175.38 1upb n PRO 186 N -1.57 0.00 -1.97 0.11 -0.04 -1.26 -5.23 135.00 125.04 1upb n PRO 186 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1upb n PRO 186 Cb 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.48 1upb n PRO 186 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1upb s PRO 187 N -4.78 3.38 0.07 0.54 0.02 -1.26 -4.95 135.00 128.02 1upb s PRO 187 Ca 0.00 2.05 -0.14 0.00 0.02 0.00 0.00 61.00 62.93 1upb s PRO 187 Cb 0.00 -2.31 -0.24 0.00 0.02 0.00 0.00 34.50 31.97 1upb s PRO 187 CO 0.00 -0.94 1.18 0.00 -0.33 0.00 0.00 177.00 176.91 1upb h ALA 188 N 1.68 0.11 -6.28 -1.55 0.00 -1.99 -3.48 119.26 107.75 1upb h ALA 188 Ca -0.50 -0.71 -0.46 0.00 0.00 0.00 0.00 54.91 53.24 1upb h ALA 188 Cb 1.28 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.15 1upb h ALA 188 CO 0.58 0.69 -0.87 0.09 0.00 0.00 0.00 179.25 179.74 1upb n ASN 189 N -3.85 -1.29 -4.70 0.00 5.03 -1.26 -4.88 115.26 104.32 1upb n ASN 189 Ca -0.11 -0.93 -0.42 0.00 0.87 0.00 0.00 54.58 53.99 1upb n ASN 189 Cb 0.90 -3.53 -0.03 0.00 -1.02 0.00 0.00 39.78 36.10 1upb n ASN 189 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1upb s THR 190 N -3.78 3.15 0.27 3.41 2.01 -1.26 -4.93 115.64 114.51 1upb s THR 190 Ca 0.06 0.69 -0.31 0.00 0.31 0.00 0.00 61.69 62.45 1upb s THR 190 Cb -0.02 -3.45 -0.12 0.00 0.01 0.00 0.00 72.50 68.92 1upb s THR 190 CO 0.85 0.02 1.51 -2.65 -0.69 0.00 0.00 174.62 173.66 1upb n PRO 191 N 4.94 2.40 0.11 4.92 -0.02 -1.26 -4.88 135.00 141.21 1upb n PRO 191 Ca 0.14 0.85 -0.03 0.00 -2.02 0.00 0.00 63.50 62.45 1upb n PRO 191 Cb 0.41 -2.58 0.04 0.00 -0.02 0.00 0.00 33.50 31.35 1upb n PRO 191 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1upb h ALA 192 N 4.59 0.67 -2.41 3.55 0.00 -1.94 -3.45 119.26 120.27 1upb h ALA 192 Ca -0.46 -0.68 -0.10 0.00 0.00 0.00 0.00 54.91 53.67 1upb h ALA 192 Cb 1.25 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 1upb h ALA 192 CO 0.78 0.93 -0.50 -1.59 0.00 0.00 0.00 179.25 178.87 1upb s LYS 193 N -3.14 0.77 0.21 0.00 -2.85 -1.26 -4.95 119.74 108.52 1upb s LYS 193 Ca 0.00 -1.09 -0.32 0.00 -1.00 0.00 0.00 55.97 53.56 1upb s LYS 193 Cb 0.11 0.29 -0.14 0.00 -2.06 0.00 0.00 37.83 36.03 1upb s LYS 193 CO 0.78 -0.21 1.35 -2.30 0.10 0.00 0.00 175.35 175.07 1upb n PRO 194 N -0.00 1.80 -2.05 1.78 -0.02 -1.26 -4.97 135.00 130.28 1upb n PRO 194 Ca -0.14 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 1upb n PRO 194 Cb 0.62 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.81 1upb n PRO 194 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1upb s VAL 195 N -0.02 2.60 0.35 -1.45 1.01 0.09 -4.89 120.40 118.10 1upb s VAL 195 Ca 0.70 0.58 0.05 0.00 0.00 0.00 0.00 61.98 63.32 1upb s VAL 195 Cb -0.71 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1upb s VAL 195 CO 0.50 0.13 0.20 -0.83 0.00 0.00 0.00 175.10 175.09 1upb s GLY 196 N -0.26 2.37 0.11 4.51 0.00 -1.26 -0.52 107.32 112.27 1upb s GLY 196 Ca 0.52 -1.68 0.02 0.00 0.00 0.00 0.00 44.72 43.58 1upb s GLY 196 CO 0.53 -1.63 0.22 -1.34 0.00 0.00 0.00 173.10 170.88 1upb s VAL 197 N -3.40 5.18 -0.07 1.40 -7.23 -0.13 -4.96 120.40 111.19 1upb s VAL 197 Ca 0.33 -0.62 -0.01 0.00 -1.81 0.00 0.00 61.98 59.87 1upb s VAL 197 Cb 0.03 -3.59 0.03 0.00 0.56 0.00 0.00 36.38 33.40 1upb s VAL 197 CO 0.20 0.02 0.00 -0.69 -0.31 0.00 0.00 175.10 174.33 1upb s VAL 198 N -1.61 0.35 0.11 1.32 1.01 -1.26 -3.59 120.40 116.72 1upb s VAL 198 Ca 0.34 0.12 -0.26 0.00 0.00 0.00 0.00 61.98 62.18 1upb s VAL 198 Cb -0.12 -0.51 -0.07 0.00 0.00 0.00 0.00 36.38 35.69 1upb s VAL 198 CO 0.27 0.25 0.82 0.00 0.00 0.00 0.00 175.10 176.44 1upb s ALA 199 N 1.88 3.37 0.30 5.51 0.00 0.41 -4.98 121.76 128.26 1upb s ALA 199 Ca 0.03 0.39 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 1upb s ALA 199 Cb -0.12 -3.05 -0.13 0.00 0.00 0.00 0.00 23.12 19.81 1upb s ALA 199 CO -0.05 0.12 1.30 -3.47 0.00 0.00 0.00 175.76 173.67 1upb n ASP 200 N 2.35 2.60 -0.02 0.00 2.03 -1.26 -2.55 116.55 119.70 1upb n ASP 200 Ca -0.02 1.18 -0.00 0.00 0.52 0.00 0.00 54.79 56.46 1upb n ASP 200 Cb 0.49 -1.44 -0.00 0.00 -0.72 0.00 0.00 41.12 39.45 1upb n ASP 200 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1upb n GLY 201 N 1.32 0.41 0.18 0.27 0.00 -1.26 -4.94 105.19 101.17 1upb n GLY 201 Ca 0.08 -0.99 -0.07 0.00 0.00 0.00 0.00 46.02 45.03 1upb n GLY 201 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1upb h TRP 202 N 0.00 0.45 -0.41 1.61 5.08 -1.82 -2.53 115.95 118.33 1upb h TRP 202 Ca -0.01 -0.17 0.05 0.00 1.08 0.00 0.00 58.89 59.84 1upb h TRP 202 Cb 0.02 -0.08 -0.05 0.00 -3.00 0.00 0.00 29.16 26.06 1upb h TRP 202 CO 0.01 0.87 0.14 1.96 -1.28 0.00 0.00 178.44 180.15 1upb h GLN 203 N 0.26 0.30 -0.86 0.12 7.50 -1.92 0.33 115.11 120.84 1upb h GLN 203 Ca -0.01 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.11 1upb h GLN 203 Cb 1.14 -0.07 -0.04 0.00 0.05 0.00 0.00 27.48 28.56 1upb h GLN 203 CO 0.10 0.20 0.49 -0.22 -1.50 0.00 0.00 178.83 177.90 1upb h LYS 204 N 0.31 1.18 -0.59 1.46 3.64 -1.93 -1.13 116.57 119.51 1upb h LYS 204 Ca 0.19 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1upb h LYS 204 Cb 0.17 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1upb h LYS 204 CO -0.19 0.85 0.07 0.00 -2.27 0.00 0.00 179.45 177.90 1upb h ALA 205 N 1.27 1.01 -0.53 5.00 0.00 -0.98 -1.64 119.26 123.38 1upb h ALA 205 Ca 0.30 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1upb h ALA 205 Cb -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1upb h ALA 205 CO -0.05 0.62 0.27 0.00 0.00 0.00 0.00 179.25 180.09 1upb h ALA 206 N 1.16 1.47 -0.14 0.00 0.00 0.17 -1.51 119.26 120.41 1upb h ALA 206 Ca 0.18 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1upb h ALA 206 Cb 0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1upb h ALA 206 CO 0.01 0.43 -0.57 -0.44 0.00 0.00 0.00 179.25 178.68 1upb h ASP 207 N 0.74 0.48 -0.20 0.00 3.32 -0.86 -0.96 116.42 118.93 1upb h ASP 207 Ca 0.19 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 1upb h ASP 207 Cb 0.06 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1upb h ASP 207 CO -0.03 0.94 -0.06 1.56 -1.72 0.00 0.00 179.24 179.94 1upb h GLN 208 N 0.33 0.53 -0.47 3.56 4.20 -0.81 -1.62 115.11 120.82 1upb h GLN 208 Ca 0.00 -0.13 -0.13 0.00 0.06 0.00 0.00 58.65 58.45 1upb h GLN 208 Cb 1.09 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 1upb h GLN 208 CO 0.10 0.60 -0.22 0.00 -0.67 0.00 0.00 178.83 178.64 1upb h ALA 209 N 1.44 0.66 -1.00 3.87 0.00 -0.98 -1.96 119.26 121.30 1upb h ALA 209 Ca 0.10 -0.39 0.08 0.00 0.00 0.00 0.00 54.91 54.69 1upb h ALA 209 Cb 0.41 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1upb h ALA 209 CO 0.02 0.65 0.64 0.00 0.00 0.00 0.00 179.25 180.56 1upb h ALA 210 N 0.86 1.41 -0.16 0.00 0.00 -0.79 -1.00 119.26 119.57 1upb h ALA 210 Ca 0.11 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1upb h ALA 210 Cb 0.80 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1upb h ALA 210 CO 0.07 0.40 -0.64 0.00 0.00 0.00 0.00 179.25 179.08 1upb h ALA 211 N 1.47 0.57 -0.72 0.00 0.00 -1.03 -1.73 119.26 117.82 1upb h ALA 211 Ca 0.44 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1upb h ALA 211 Cb 0.23 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1upb h ALA 211 CO -0.19 0.71 0.46 -0.07 0.00 0.00 0.00 179.25 180.16 1upb h LEU 212 N 0.44 0.77 -0.89 0.00 3.38 -1.10 -2.86 115.31 115.04 1upb h LEU 212 Ca -0.01 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1upb h LEU 212 Cb 1.21 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1upb h LEU 212 CO 0.12 0.54 0.12 0.25 0.09 0.00 0.00 178.44 179.56 1upb h LEU 213 N 0.91 0.89 -1.06 1.67 5.85 -0.82 -2.00 115.31 120.75 1upb h LEU 213 Ca 0.28 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1upb h LEU 213 Cb -0.01 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 1upb h LEU 213 CO -0.10 0.88 0.64 0.00 -0.34 0.00 0.00 178.44 179.51 1upb h ALA 214 N 1.23 1.32 0.00 1.25 0.00 -1.15 -2.80 119.26 119.11 1upb h ALA 214 Ca 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1upb h ALA 214 Cb 0.36 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1upb h ALA 214 CO 0.00 0.63 -0.11 0.93 0.00 0.00 0.00 179.25 180.71 1upb h GLU 215 N 1.30 0.00 -6.66 0.00 5.08 -1.27 -3.46 114.58 109.56 1upb h GLU 215 Ca 0.35 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 58.21 1upb h GLU 215 Cb -0.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1upb h GLU 215 CO -0.08 0.11 0.33 0.00 -1.00 0.00 0.00 179.01 178.37 1upb s ALA 216 N -3.22 3.33 -0.07 3.43 0.00 -0.78 -4.98 121.76 119.48 1upb s ALA 216 Ca 0.06 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.57 1upb s ALA 216 Cb 0.06 -3.19 -0.26 0.00 0.00 0.00 0.00 23.12 19.73 1upb s ALA 216 CO 0.67 0.15 0.57 0.87 0.00 0.00 0.00 175.76 178.02 1upb h LYS 217 N 4.61 0.20 -2.04 0.00 6.56 -1.90 -3.44 116.57 120.56 1upb h LYS 217 Ca -0.45 -0.34 -0.57 0.00 -1.06 0.00 0.00 60.65 58.23 1upb h LYS 217 Cb 1.20 0.13 -0.40 0.00 -0.57 0.00 0.00 32.23 32.59 1upb h LYS 217 CO 0.69 1.01 -0.99 0.72 -2.06 0.00 0.00 179.45 178.82 1upb n HIS 218 N -3.37 0.59 -2.03 -1.35 8.25 -1.26 -4.36 115.22 111.69 1upb n HIS 218 Ca -0.24 -3.71 -0.32 0.00 -0.26 0.00 0.00 57.72 53.19 1upb n HIS 218 Cb 1.05 -0.40 0.01 0.00 1.12 0.00 0.00 29.99 31.77 1upb n HIS 218 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1upb s PRO 219 N -1.54 3.43 0.07 -0.41 0.04 -1.26 -2.24 135.00 133.08 1upb s PRO 219 Ca 0.36 1.06 0.03 0.00 0.04 0.00 0.00 61.00 62.50 1upb s PRO 219 Cb 0.17 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 1upb s PRO 219 CO -0.09 -0.71 -0.09 0.14 0.04 0.00 0.00 177.00 176.29 1upb s VAL 220 N -2.66 0.74 -0.33 -0.36 -7.23 -0.19 -4.23 120.40 106.15 1upb s VAL 220 Ca 0.61 -1.39 -0.11 0.00 -1.81 0.00 0.00 61.98 59.28 1upb s VAL 220 Cb -0.14 -1.03 -0.00 0.00 0.56 0.00 0.00 36.38 35.77 1upb s VAL 220 CO 0.40 -0.48 0.18 -0.76 -0.31 0.00 0.00 175.10 174.13 1upb s LEU 221 N -2.05 4.31 -0.40 1.32 1.43 -0.46 -1.54 118.68 121.29 1upb s LEU 221 Ca -0.02 -0.58 -0.17 0.00 -1.03 0.00 0.00 54.13 52.34 1upb s LEU 221 Cb -0.06 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.14 1upb s LEU 221 CO -0.00 -0.24 0.43 -0.69 0.23 0.00 0.00 176.35 176.08 1upb s VAL 222 N 1.63 5.09 -0.23 -1.59 1.01 -0.23 -0.69 120.40 125.39 1upb s VAL 222 Ca 0.05 -0.25 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 1upb s VAL 222 Cb -0.17 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1upb s VAL 222 CO 0.07 -0.36 0.08 -0.69 0.00 0.00 0.00 175.10 174.20 1upb s VAL 223 N 2.13 4.54 0.49 2.92 1.01 -0.06 -0.28 120.40 131.16 1upb s VAL 223 Ca 0.12 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.08 1upb s VAL 223 Cb -0.17 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.15 1upb s VAL 223 CO 0.13 0.37 0.59 -0.83 0.00 0.00 0.00 175.10 175.37 1upb s GLY 224 N 1.20 1.96 0.45 4.51 0.00 -0.72 -2.54 107.32 112.18 1upb s GLY 224 Ca 0.05 -1.83 0.23 0.00 0.00 0.00 0.00 44.72 43.17 1upb s GLY 224 CO 0.04 -1.66 1.89 0.00 0.00 0.00 0.00 173.10 173.36 1upb h ALA 225 N 0.56 1.12 -0.19 3.20 0.00 -1.87 -2.36 119.26 119.72 1upb h ALA 225 Ca -0.36 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.39 1upb h ALA 225 Cb 1.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1upb h ALA 225 CO 0.47 0.29 0.14 0.00 0.00 0.00 0.00 179.25 180.16 1upb h ALA 226 N 1.77 2.15 -0.39 0.00 0.00 -1.90 -0.92 119.26 119.96 1upb h ALA 226 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1upb h ALA 226 Cb 0.64 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1upb h ALA 226 CO 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 179.25 179.00 1upb h ALA 227 N 1.89 1.21 -0.29 0.00 0.00 -1.65 -1.95 119.26 118.47 1upb h ALA 227 Ca 0.09 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1upb h ALA 227 Cb 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1upb h ALA 227 CO -0.00 0.52 -0.33 0.82 0.00 0.00 0.00 179.25 180.26 1upb h ILE 228 N 0.61 1.28 0.00 0.00 2.04 -1.32 -2.59 117.51 117.53 1upb h ILE 228 Ca 0.12 -1.46 -0.10 0.00 1.00 0.00 0.00 64.86 64.42 1upb h ILE 228 Cb 0.43 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1upb h ILE 228 CO 0.02 0.47 -0.48 0.03 0.00 0.00 0.00 178.15 178.19 1upb h ARG 229 N 0.54 0.00 0.00 2.37 3.08 -1.11 -2.60 114.38 116.66 1upb h ARG 229 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1upb h ARG 229 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1upb h ARG 229 CO 0.07 0.48 0.00 0.45 -1.07 0.00 0.00 179.97 179.90 1upb n SER 230 N -3.84 0.21 -0.07 7.04 2.88 -0.76 -4.56 113.62 114.52 1upb n SER 230 Ca -0.01 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1upb n SER 230 Cb 0.52 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1upb n SER 230 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1upb n GLY 231 N 0.72 0.46 0.98 0.46 0.00 -0.98 -4.58 105.19 102.26 1upb n GLY 231 Ca 0.05 -0.86 0.09 0.00 0.00 0.00 0.00 46.02 45.30 1upb n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upb n ALA 232 N -1.20 2.30 0.24 4.61 0.00 -0.99 -4.68 120.51 120.79 1upb n ALA 232 Ca 0.00 -1.17 -0.15 0.00 0.00 0.00 0.00 53.44 52.12 1upb n ALA 232 Cb 0.50 -0.68 -0.08 0.00 0.00 0.00 0.00 19.45 19.19 1upb n ALA 232 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1upb h VAL 233 N 3.23 0.52 -0.98 0.00 2.07 -1.89 0.13 116.25 119.33 1upb h VAL 233 Ca 0.00 -0.32 0.15 0.00 0.82 0.00 0.00 66.70 67.35 1upb h VAL 233 Cb 0.85 0.67 -0.09 0.00 -1.52 0.00 0.00 31.29 31.20 1upb h VAL 233 CO 0.00 0.05 0.59 -0.65 0.02 0.00 0.00 177.57 177.59 1upb h PRO 234 N -0.80 0.82 -0.30 1.57 0.11 -1.91 -0.57 132.00 130.93 1upb h PRO 234 Ca -0.06 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.82 1upb h PRO 234 Cb 0.55 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 1upb h PRO 234 CO 0.10 0.54 -0.51 0.00 -0.21 0.00 0.00 178.00 177.92 1upb h ALA 235 N 1.58 0.52 -0.41 -0.75 0.00 -1.83 -1.93 119.26 116.45 1upb h ALA 235 Ca 0.52 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1upb h ALA 235 Cb 0.67 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1upb h ALA 235 CO -0.33 0.68 0.05 0.82 0.00 0.00 0.00 179.25 180.48 1upb h ILE 236 N 0.66 1.25 -0.24 0.00 2.04 -0.50 -2.03 117.51 118.69 1upb h ILE 236 Ca 0.02 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 65.00 1upb h ILE 236 Cb 1.11 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1upb h ILE 236 CO 0.11 0.31 0.08 -0.09 0.00 0.00 0.00 178.15 178.57 1upb h ARG 237 N 0.53 0.19 -0.76 2.37 2.43 -1.01 0.23 114.38 118.35 1upb h ARG 237 Ca 0.12 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1upb h ARG 237 Cb 0.40 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1upb h ARG 237 CO 0.01 0.12 0.42 0.00 -1.51 0.00 0.00 179.97 179.01 1upb h ALA 238 N 1.15 0.97 0.14 2.80 0.00 -1.32 0.26 119.26 123.26 1upb h ALA 238 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1upb h ALA 238 Cb 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1upb h ALA 238 CO -0.10 0.48 -0.13 1.25 0.00 0.00 0.00 179.25 180.74 1upb h LEU 239 N 1.05 -0.34 -0.79 0.00 5.85 -1.07 -2.01 115.31 117.99 1upb h LEU 239 Ca 0.27 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 1upb h LEU 239 Cb 0.03 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1upb h LEU 239 CO -0.04 -0.20 0.49 0.00 -0.34 0.00 0.00 178.44 178.35 1upb h ALA 240 N 0.54 1.00 -0.57 1.25 0.00 -0.70 -2.46 119.26 118.33 1upb h ALA 240 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1upb h ALA 240 Cb 0.28 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1upb h ALA 240 CO -0.03 0.45 -0.04 0.93 0.00 0.00 0.00 179.25 180.56 1upb h GLU 241 N 1.07 1.03 -0.24 0.00 5.08 -0.86 0.52 114.58 121.19 1upb h GLU 241 Ca 0.28 -0.34 -0.18 0.00 -1.00 0.00 0.00 59.36 58.12 1upb h GLU 241 Cb -0.07 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1upb h GLU 241 CO -0.06 1.03 -0.56 -0.09 -1.00 0.00 0.00 179.01 178.33 1upb h ARG 242 N 0.93 0.80 -0.45 2.33 2.43 -1.16 -3.18 114.38 116.08 1upb h ARG 242 Ca 0.16 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1upb h ARG 242 Cb 0.60 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1upb h ARG 242 CO 0.04 1.17 0.00 1.28 -1.51 0.00 0.00 179.97 180.95 1upb n LEU 243 N -4.05 3.55 -3.60 3.80 4.77 -0.95 -4.51 117.00 116.01 1upb n LEU 243 Ca -0.05 -1.61 -0.20 0.00 -0.03 0.00 0.00 56.01 54.12 1upb n LEU 243 Cb 0.63 -0.29 0.05 0.00 -2.33 0.00 0.00 43.42 41.48 1upb n LEU 243 CO 0.50 0.79 -0.00 -3.20 -1.33 0.00 0.00 177.39 174.15 1upb n ASN 244 N 1.50 -1.50 -4.49 -1.43 5.15 0.00 -1.33 115.26 113.16 1upb n ASN 244 Ca 0.20 -0.75 -0.37 0.00 -0.60 0.00 0.00 54.58 53.06 1upb n ASN 244 Cb 0.60 -4.45 -0.12 0.00 -0.53 0.00 0.00 39.78 35.28 1upb n ASN 244 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1upb s ILE 245 N -3.56 4.62 0.61 -1.44 1.01 -0.19 -4.44 121.20 117.80 1upb s ILE 245 Ca 0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 60.65 60.40 1upb s ILE 245 Cb -0.00 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 1upb s ILE 245 CO 0.78 0.32 1.27 -2.84 0.00 0.00 0.00 174.94 174.47 1upb s PRO 246 N 1.61 2.83 -0.19 2.79 0.02 -1.26 -4.75 135.00 136.05 1upb s PRO 246 Ca 0.06 2.01 -0.00 0.00 0.02 0.00 0.00 61.00 63.09 1upb s PRO 246 Cb -0.15 -1.96 0.01 0.00 0.02 0.00 0.00 34.50 32.42 1upb s PRO 246 CO 0.06 -1.37 -0.15 0.08 -0.33 0.00 0.00 177.00 175.29 1upb s VAL 247 N -1.45 2.44 -0.03 3.83 1.01 -0.12 -1.36 120.40 124.73 1upb s VAL 247 Ca 0.79 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1upb s VAL 247 Cb -0.35 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1upb s VAL 247 CO 0.39 0.51 -0.05 -0.63 0.00 0.00 0.00 175.10 175.31 1upb s ILE 248 N 1.34 3.78 0.32 2.22 1.01 0.13 -1.74 121.20 128.26 1upb s ILE 248 Ca 0.05 -0.61 0.10 0.00 0.00 0.00 0.00 60.65 60.19 1upb s ILE 248 Cb -0.13 -2.61 -0.06 0.00 0.01 0.00 0.00 42.46 39.67 1upb s ILE 248 CO -0.10 0.48 -0.13 0.42 0.00 0.00 0.00 174.94 175.60 1upb s THR 249 N -0.93 2.35 1.27 2.92 -4.23 -0.86 -0.88 115.64 115.28 1upb s THR 249 Ca 0.15 -2.28 -0.21 0.00 -1.18 0.00 0.00 61.69 58.18 1upb s THR 249 Cb -0.11 -2.52 0.31 0.00 1.34 0.00 0.00 72.50 71.52 1upb s THR 249 CO 0.05 -0.28 1.06 0.42 -0.54 0.00 0.00 174.62 175.34 1upb s THR 250 N -2.57 1.47 0.26 3.99 -4.23 -1.05 -3.37 115.64 110.14 1upb s THR 250 Ca 0.32 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.79 1upb s THR 250 Cb -0.01 -2.38 0.25 0.00 1.34 0.00 0.00 72.50 71.71 1upb s THR 250 CO 0.16 0.00 1.87 1.88 -0.54 0.00 0.00 174.62 177.99 1upb h TYR 251 N -2.85 1.14 0.00 3.99 -1.99 -1.84 -3.09 116.97 112.33 1upb h TYR 251 Ca -0.44 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.32 1upb h TYR 251 Cb 1.30 -0.37 0.00 0.00 2.00 0.00 0.00 36.73 39.66 1upb h TYR 251 CO -2.61 0.59 -0.83 0.82 -0.00 0.00 0.00 178.16 176.13 1upb h ILE 252 N 1.12 0.00 -0.59 -2.88 5.03 -1.90 -3.33 117.51 114.96 1upb h ILE 252 Ca 0.42 -0.73 0.00 0.00 -0.12 0.00 0.00 64.86 64.43 1upb h ILE 252 Cb 0.17 1.25 0.00 0.00 -3.03 0.00 0.00 36.82 35.21 1upb h ILE 252 CO -0.17 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.30 1upb n ALA 253 N -1.99 2.93 -1.71 1.87 0.00 -1.17 -4.39 120.51 116.05 1upb n ALA 253 Ca 0.02 -1.60 -0.43 0.00 0.00 0.00 0.00 53.44 51.43 1upb n ALA 253 Cb 0.49 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 1upb n ALA 253 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1upb n LYS 254 N 0.95 2.51 0.00 0.00 5.02 -1.23 -3.05 118.16 122.36 1upb n LYS 254 Ca 0.24 0.90 0.00 0.00 -2.02 0.00 0.00 58.31 57.43 1upb n LYS 254 Cb 0.83 -2.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.17 1upb n LYS 254 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1upb n GLY 255 N 2.79 0.55 0.25 0.72 0.00 -1.25 -3.93 105.19 104.33 1upb n GLY 255 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1upb n GLY 255 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1upb h VAL 256 N 0.00 0.57 -3.79 1.61 -1.51 -1.78 -2.72 116.25 108.62 1upb h VAL 256 Ca 0.00 -0.65 -0.68 0.00 -1.23 0.00 0.00 66.70 64.14 1upb h VAL 256 Cb 0.00 1.43 -0.19 0.00 -2.13 0.00 0.00 31.29 30.39 1upb h VAL 256 CO 0.00 0.14 -0.78 -0.76 -1.23 0.00 0.00 177.57 174.94 1upb s LEU 257 N -7.18 2.77 0.77 4.19 1.43 -1.26 -4.87 118.68 114.52 1upb s LEU 257 Ca -0.02 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 52.51 1upb s LEU 257 Cb 0.13 -1.61 0.06 0.00 0.03 0.00 0.00 46.19 44.79 1upb s LEU 257 CO 0.59 0.22 1.22 -2.84 0.23 0.00 0.00 176.35 175.78 1upb s PRO 258 N -1.78 1.89 0.21 1.29 0.02 -1.26 -4.81 135.00 130.55 1upb s PRO 258 Ca 0.17 1.80 -0.32 0.00 0.02 0.00 0.00 61.00 62.67 1upb s PRO 258 Cb -0.11 -1.80 -0.13 0.00 0.02 0.00 0.00 34.50 32.49 1upb s PRO 258 CO 0.08 -2.04 1.63 0.28 -0.33 0.00 0.00 177.00 176.63 1upb n VAL 259 N -2.96 0.20 0.00 3.83 0.31 -1.26 -2.51 118.33 115.94 1upb n VAL 259 Ca 0.14 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1upb n VAL 259 Cb 0.50 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1upb n VAL 259 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1upb n GLY 260 N 3.41 3.29 3.73 2.92 0.00 -1.26 -5.05 105.19 112.23 1upb n GLY 260 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1upb n GLY 260 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1upb n HIS 261 N -1.46 2.80 0.30 1.61 -0.00 -1.04 -4.87 115.22 112.56 1upb n HIS 261 Ca 0.00 0.19 0.18 0.00 -0.00 0.00 0.00 57.72 58.10 1upb n HIS 261 Cb 0.00 -2.62 0.92 0.00 -0.00 0.00 0.00 29.99 28.29 1upb n HIS 261 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 1upb h GLU 262 N 5.40 0.00 -0.14 1.57 9.09 -1.97 -1.17 114.58 127.36 1upb h GLU 262 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 1upb h GLU 262 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 1upb h GLU 262 CO 0.84 0.03 0.00 1.28 0.05 0.00 0.00 179.01 181.21 1upb n LEU 263 N -3.25 2.98 -4.26 3.06 4.77 -1.26 -4.71 117.00 114.33 1upb n LEU 263 Ca -0.02 -1.10 -0.41 0.00 -0.03 0.00 0.00 56.01 54.45 1upb n LEU 263 Cb 0.19 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1upb n LEU 263 CO 0.25 0.55 2.16 -3.20 -1.33 0.00 0.00 177.39 175.82 1upb n ASN 264 N 1.27 4.27 0.00 -1.43 5.15 -0.44 -0.94 115.26 123.14 1upb n ASN 264 Ca 0.16 -2.86 0.10 0.00 -0.60 0.00 0.00 54.58 51.38 1upb n ASN 264 Cb 0.57 -1.68 0.54 0.00 -0.53 0.00 0.00 39.78 38.68 1upb n ASN 264 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1upb n TYR 265 N 8.23 0.00 0.00 1.20 4.02 -0.71 -4.93 117.16 124.97 1upb n TYR 265 Ca 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.39 1upb n TYR 265 Cb 0.44 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 1upb n TYR 265 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1upb n GLY 266 N 0.39 0.20 3.89 2.72 0.00 -1.25 -4.93 105.19 106.21 1upb n GLY 266 Ca 0.11 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 1upb n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upb s ALA 267 N -1.23 3.48 0.17 4.61 0.00 -1.26 -2.03 121.76 125.49 1upb s ALA 267 Ca 0.00 -0.42 0.10 0.00 0.00 0.00 0.00 51.96 51.64 1upb s ALA 267 Cb 0.00 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 1upb s ALA 267 CO 0.00 0.02 -0.21 0.14 0.00 0.00 0.00 175.76 175.72 1upb s VAL 268 N -2.33 2.60 0.07 0.00 -7.23 -1.22 -4.77 120.40 107.52 1upb s VAL 268 Ca 0.47 -1.81 -0.05 0.00 -1.81 0.00 0.00 61.98 58.78 1upb s VAL 268 Cb -0.10 -2.23 -0.02 0.00 0.56 0.00 0.00 36.38 34.59 1upb s VAL 268 CO 0.33 -0.04 0.09 0.28 -0.31 0.00 0.00 175.10 175.46 1upb s THR 269 N -1.47 0.17 0.29 5.32 -1.32 -1.26 -4.71 115.64 112.65 1upb s THR 269 Ca 0.20 -1.41 0.31 0.00 -1.21 0.00 0.00 61.69 59.58 1upb s THR 269 Cb -0.09 -1.36 0.34 0.00 -1.51 0.00 0.00 72.50 69.88 1upb s THR 269 CO 0.10 -0.78 2.03 1.23 -2.21 0.00 0.00 174.62 175.00 1upb h GLY 270 N 3.02 0.00 -1.58 6.08 0.00 -2.01 -2.84 103.07 105.74 1upb h GLY 270 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1upb h GLY 270 CO 0.59 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 175.41 1upb n TYR 271 N -3.32 0.57 0.15 5.60 4.02 -1.26 -4.45 117.16 118.47 1upb n TYR 271 Ca -0.01 -0.28 0.03 0.00 -0.01 0.00 0.00 57.90 57.63 1upb n TYR 271 Cb 0.28 0.00 0.15 0.00 -0.02 0.00 0.00 39.34 39.75 1upb n TYR 271 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1upb h MET 272 N 2.55 0.00 -0.17 -0.72 -0.00 -1.91 -1.21 114.93 113.47 1upb h MET 272 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.65 1upb h MET 272 Cb 0.58 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.18 1upb h MET 272 CO 0.00 0.50 -0.08 -0.44 -0.00 0.00 0.00 176.91 176.89 1upb h ASP 273 N 0.00 0.37 -0.51 -0.10 5.19 -1.78 -2.50 116.42 117.09 1upb h ASP 273 Ca -0.00 -0.41 0.02 0.00 -0.62 0.00 0.00 57.03 56.02 1upb h ASP 273 Cb 1.20 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 40.57 1upb h ASP 273 CO 0.06 0.69 0.31 1.23 -3.12 0.00 0.00 179.24 178.42 1upb h GLY 274 N 0.05 0.72 0.94 2.75 0.00 -1.79 -1.15 103.07 104.59 1upb h GLY 274 Ca 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 1upb h GLY 274 CO 0.02 0.20 0.13 -2.22 0.00 0.00 0.00 176.54 174.67 1upb h ILE 275 N 0.62 1.21 -0.00 2.60 2.04 -1.26 -3.21 117.51 119.51 1upb h ILE 275 Ca 0.20 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1upb h ILE 275 Cb 0.01 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1upb h ILE 275 CO -0.09 0.25 -0.31 0.18 0.00 0.00 0.00 178.15 178.17 1upb n LEU 276 N -4.61 0.58 -3.73 1.44 4.77 -0.94 -4.96 117.00 109.55 1upb n LEU 276 Ca -0.00 -0.01 -0.33 0.00 -0.03 0.00 0.00 56.01 55.63 1upb n LEU 276 Cb 0.17 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1upb n LEU 276 CO 0.38 0.12 -0.09 0.59 -1.33 0.00 0.00 177.39 177.06 1upb n ASN 277 N -1.19 -5.10 -3.61 -1.43 3.02 -0.46 -4.98 115.26 101.52 1upb n ASN 277 Ca 0.09 -1.05 -0.12 0.00 -0.03 0.00 0.00 54.58 53.47 1upb n ASN 277 Cb 0.33 -3.17 -0.07 0.00 -0.61 0.00 0.00 39.78 36.26 1upb n ASN 277 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1upb s PHE 278 N -3.48 -0.56 -1.44 3.10 5.36 -1.08 -5.05 117.98 114.82 1upb s PHE 278 Ca 0.47 1.25 -0.13 0.00 -0.96 0.00 0.00 56.93 57.56 1upb s PHE 278 Cb -0.18 0.36 0.05 0.00 -0.34 0.00 0.00 43.02 42.91 1upb s PHE 278 CO 0.87 -0.33 2.23 -0.35 -1.46 0.00 0.00 175.22 176.18 1upb n PRO 279 N 1.90 3.06 -0.08 10.12 -0.04 -1.26 -4.32 135.00 144.37 1upb n PRO 279 Ca -0.13 -2.73 -0.13 0.00 -0.04 0.00 0.00 63.50 60.47 1upb n PRO 279 Cb 0.56 -3.19 -0.05 0.00 -0.04 0.00 0.00 33.50 30.78 1upb n PRO 279 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1upb h ALA 280 N 5.87 0.35 -0.34 0.55 0.00 -1.90 -2.37 119.26 121.42 1upb h ALA 280 Ca 0.57 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1upb h ALA 280 Cb 0.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1upb h ALA 280 CO 1.84 0.27 0.06 -0.07 0.00 0.00 0.00 179.25 181.34 1upb h LEU 281 N 0.26 0.54 -1.04 0.00 3.38 -1.93 -0.29 115.31 116.23 1upb h LEU 281 Ca 0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1upb h LEU 281 Cb 0.72 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1upb h LEU 281 CO 0.05 0.66 0.37 1.56 0.09 0.00 0.00 178.44 181.17 1upb h GLN 282 N 0.40 1.05 -0.62 1.13 1.08 -1.93 -0.62 115.11 115.60 1upb h GLN 282 Ca 0.10 -0.14 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 1upb h GLN 282 Cb 0.35 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.55 1upb h GLN 282 CO 0.01 0.80 0.13 1.15 -0.95 0.00 0.00 178.83 179.97 1upb h THR 283 N 1.05 1.25 -0.14 -0.54 2.02 -0.99 0.71 112.91 116.27 1upb h THR 283 Ca 0.26 -0.92 -0.21 0.00 0.77 0.00 0.00 66.41 66.31 1upb h THR 283 Cb 0.08 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1upb h THR 283 CO -0.04 0.35 -0.75 -0.03 0.37 0.00 0.00 175.52 175.42 1upb h MET 284 N 0.93 0.67 0.00 6.66 1.85 -0.47 -3.41 114.93 121.16 1upb h MET 284 Ca 0.20 -0.54 0.00 0.00 -0.61 0.00 0.00 59.70 58.75 1upb h MET 284 Cb 0.35 0.11 0.00 0.00 0.43 0.00 0.00 31.60 32.49 1upb h MET 284 CO 0.00 1.15 -0.96 1.19 -0.40 0.00 0.00 176.91 177.90 1upb n PHE 285 N -3.91 0.00 -0.12 1.39 3.72 -0.29 -4.78 117.46 113.47 1upb n PHE 285 Ca -0.06 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.29 1upb n PHE 285 Cb 0.73 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.29 1upb n PHE 285 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1upb h ALA 286 N 0.00 0.35 -0.01 4.37 0.00 -0.96 -2.04 119.26 120.98 1upb h ALA 286 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1upb h ALA 286 Cb 0.03 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1upb h ALA 286 CO 0.00 -0.41 -0.05 -0.35 0.00 0.00 0.00 179.25 178.44 1upb n PRO 287 N -5.22 1.01 -2.24 0.00 -0.04 -1.26 -2.36 135.00 124.88 1upb n PRO 287 Ca 0.03 -0.34 -0.41 0.00 -0.04 0.00 0.00 63.50 62.74 1upb n PRO 287 Cb 0.22 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.15 1upb n PRO 287 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1upb s VAL 288 N -2.23 3.29 -0.42 0.52 1.01 -0.77 -4.68 120.40 117.13 1upb s VAL 288 Ca 0.36 1.05 0.04 0.00 0.00 0.00 0.00 61.98 63.43 1upb s VAL 288 Cb 0.21 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.93 1upb s VAL 288 CO 0.41 0.15 0.51 -0.90 0.00 0.00 0.00 175.10 175.27 1upb n ASP 289 N 2.74 1.04 -3.67 3.32 5.75 -0.95 -4.65 116.55 120.13 1upb n ASP 289 Ca 0.06 -1.02 -0.10 0.00 -0.01 0.00 0.00 54.79 53.72 1upb n ASP 289 Cb 0.43 0.25 -0.11 0.00 -1.03 0.00 0.00 41.12 40.67 1upb n ASP 289 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1upb s LEU 290 N -0.80 -0.43 -0.23 -2.12 2.96 -1.25 -1.97 118.68 114.83 1upb s LEU 290 Ca 0.04 0.83 -0.03 0.00 -0.22 0.00 0.00 54.13 54.76 1upb s LEU 290 Cb 0.03 1.11 0.01 0.00 0.50 0.00 0.00 46.19 47.84 1upb s LEU 290 CO 0.07 -0.23 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.12 1upb s VAL 291 N 2.37 3.05 -0.40 1.68 1.01 -0.31 -1.02 120.40 126.77 1upb s VAL 291 Ca -0.02 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 1upb s VAL 291 Cb -0.12 -2.44 0.05 0.00 0.00 0.00 0.00 36.38 33.87 1upb s VAL 291 CO -0.11 0.35 0.26 -0.76 0.00 0.00 0.00 175.10 174.83 1upb s LEU 292 N 1.40 5.01 -0.68 3.92 1.02 -0.59 -1.08 118.68 127.68 1upb s LEU 292 Ca 0.04 -1.18 -0.22 0.00 0.02 0.00 0.00 54.13 52.78 1upb s LEU 292 Cb -0.15 -2.05 0.08 0.00 0.02 0.00 0.00 46.19 44.09 1upb s LEU 292 CO -0.05 -0.47 0.96 0.42 0.02 0.00 0.00 176.35 177.23 1upb s THR 293 N 1.54 4.39 -0.44 5.49 -4.23 0.32 -1.06 115.64 121.65 1upb s THR 293 Ca 0.03 -0.51 -0.23 0.00 -1.18 0.00 0.00 61.69 59.80 1upb s THR 293 Cb -0.21 -4.68 0.02 0.00 1.34 0.00 0.00 72.50 68.97 1upb s THR 293 CO 0.06 -1.44 0.77 -0.69 -0.54 0.00 0.00 174.62 172.78 1upb s VAL 294 N 3.85 4.68 -0.39 2.29 1.01 0.62 -1.77 120.40 130.69 1upb s VAL 294 Ca 0.22 0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.63 1upb s VAL 294 Cb -0.16 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1upb s VAL 294 CO 0.08 -0.67 0.32 0.61 0.00 0.00 0.00 175.10 175.45 1upb n GLY 295 N 4.94 0.51 3.77 4.51 0.00 0.79 -1.75 105.19 117.96 1upb n GLY 295 Ca 0.02 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 1upb n GLY 295 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1upb s TYR 296 N -3.06 2.79 -0.23 1.61 5.04 -1.01 -4.18 117.35 118.31 1upb s TYR 296 Ca 0.16 1.29 -0.04 0.00 -2.44 0.00 0.00 57.07 56.04 1upb s TYR 296 Cb -0.07 -3.86 0.12 0.00 0.35 0.00 0.00 41.96 38.51 1upb s TYR 296 CO 0.20 -2.46 0.41 0.34 -1.34 0.00 0.00 175.55 172.70 1upb s ASP 297 N -0.33 -0.05 0.56 4.32 -1.08 -1.26 -4.87 116.67 113.96 1upb s ASP 297 Ca 0.51 0.53 0.27 0.00 -0.52 0.00 0.00 52.55 53.35 1upb s ASP 297 Cb -0.43 1.28 1.48 0.00 -1.46 0.00 0.00 42.92 43.79 1upb s ASP 297 CO 0.58 -0.27 2.00 0.22 0.52 0.00 0.00 175.17 178.22 1upb h TYR 298 N 8.17 0.00 0.00 -5.34 3.20 -1.95 -1.74 116.97 119.30 1upb h TYR 298 Ca -0.19 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.67 1upb h TYR 298 Cb 1.14 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.41 1upb h TYR 298 CO 0.17 0.00 -0.08 0.00 -1.64 0.00 0.00 178.16 176.61 1upb h ALA 299 N 1.68 1.06 0.00 1.82 0.00 -1.94 -1.35 119.26 120.54 1upb h ALA 299 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1upb h ALA 299 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1upb h ALA 299 CO -0.00 0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.74 1upb n GLU 300 N -3.27 0.60 -1.24 0.00 1.02 -0.65 -3.10 120.64 113.99 1upb n GLU 300 Ca -0.00 0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 57.08 1upb n GLU 300 Cb 0.30 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.18 1upb n GLU 300 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1upb n ASP 301 N -1.09 -4.29 -4.36 1.62 2.03 -0.51 -4.60 116.55 105.35 1upb n ASP 301 Ca 0.15 0.21 -0.45 0.00 0.52 0.00 0.00 54.79 55.22 1upb n ASP 301 Cb 0.11 -2.52 -0.04 0.00 -0.72 0.00 0.00 41.12 37.95 1upb n ASP 301 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1upb s LEU 302 N -1.89 5.67 0.37 -2.67 1.98 -1.26 -4.93 118.68 115.95 1upb s LEU 302 Ca 0.00 -1.68 -0.03 0.00 -2.89 0.00 0.00 54.13 49.53 1upb s LEU 302 Cb 0.00 -2.28 -0.04 0.00 0.66 0.00 0.00 46.19 44.53 1upb s LEU 302 CO 0.00 -1.01 0.62 -0.13 -1.89 0.00 0.00 176.35 173.94 1upb s ARG 303 N 2.21 3.54 0.32 1.98 0.52 -1.26 -4.82 118.95 121.44 1upb s ARG 303 Ca 0.12 -0.09 0.08 0.00 -0.52 0.00 0.00 55.73 55.32 1upb s ARG 303 Cb -0.23 -2.57 0.81 0.00 0.52 0.00 0.00 34.95 33.48 1upb s ARG 303 CO 0.03 0.06 1.78 -1.35 0.02 0.00 0.00 175.30 175.84 1upb h PRO 304 N 0.83 0.67 -0.24 3.54 0.11 -1.97 -1.77 132.00 133.18 1upb h PRO 304 Ca -0.48 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.65 1upb h PRO 304 Cb 1.21 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1upb h PRO 304 CO 0.63 0.44 0.26 0.66 -0.21 0.00 0.00 178.00 179.78 1upb h SER 305 N 0.69 0.00 0.21 -2.05 4.64 -1.94 -1.74 113.55 113.36 1upb h SER 305 Ca 0.57 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.71 1upb h SER 305 Cb 0.99 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1upb h SER 305 CO -0.36 0.00 -0.72 0.24 -0.87 0.00 0.00 176.83 175.13 1upb h MET 306 N 0.00 0.45 -0.01 4.77 2.86 -1.71 -3.19 114.93 118.11 1upb h MET 306 Ca 0.11 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1upb h MET 306 Cb 0.64 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1upb h MET 306 CO -0.00 0.99 -0.32 -2.67 1.06 0.00 0.00 176.91 175.97 1upb n TRP 307 N -3.86 0.00 -2.05 -0.22 2.14 -0.82 -4.65 117.44 107.99 1upb n TRP 307 Ca -0.04 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.11 1upb n TRP 307 Cb 0.70 -0.13 0.00 0.00 -0.81 0.00 0.00 31.31 31.07 1upb n TRP 307 CO 0.00 0.00 0.00 1.04 2.07 0.00 0.00 177.69 180.80 1upb n GLN 308 N -0.76 3.47 -4.89 -2.67 6.02 -0.72 -4.89 117.38 112.95 1upb n GLN 308 Ca 0.11 -3.15 -0.26 0.00 -0.01 0.00 0.00 57.00 53.69 1upb n GLN 308 Cb 0.35 -3.01 -0.15 0.00 1.02 0.00 0.00 30.24 28.45 1upb n GLN 308 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1upb s LYS 309 N 1.24 1.52 7.22 -1.09 -0.14 -1.26 -4.99 119.74 122.24 1upb s LYS 309 Ca 0.45 -0.72 0.00 0.00 -1.36 0.00 0.00 55.97 54.34 1upb s LYS 309 Cb 0.12 -1.49 0.00 0.00 -1.68 0.00 0.00 37.83 34.78 1upb s LYS 309 CO -0.04 0.41 0.00 0.41 -0.76 0.00 0.00 175.35 175.37 1upb n GLY 310 N 2.51 2.29 3.77 -3.33 0.00 -1.26 -3.87 105.19 105.30 1upb n GLY 310 Ca -0.15 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 1upb n GLY 310 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1upb s ILE 311 N 0.00 3.15 0.24 -0.61 -4.36 -0.99 -4.98 121.20 113.65 1upb s ILE 311 Ca 0.00 0.37 -0.30 0.00 -0.26 0.00 0.00 60.65 60.46 1upb s ILE 311 Cb 0.00 -2.99 -0.10 0.00 1.25 0.00 0.00 42.46 40.62 1upb s ILE 311 CO 0.00 -0.49 1.44 -1.61 0.24 0.00 0.00 174.94 174.53 1upb s GLU 312 N -5.02 4.27 0.01 0.37 0.41 -1.26 -4.96 118.70 112.50 1upb s GLU 312 Ca 0.61 2.30 0.04 0.00 -0.41 0.00 0.00 54.97 57.52 1upb s GLU 312 Cb -0.16 -3.11 -0.03 0.00 -1.78 0.00 0.00 34.13 29.05 1upb s GLU 312 CO 0.56 -0.43 -0.11 0.15 -0.49 0.00 0.00 175.26 174.94 1upb s LYS 313 N -0.31 2.42 0.33 1.61 1.02 -1.26 -4.78 119.74 118.77 1upb s LYS 313 Ca 0.60 -0.78 -0.16 0.00 0.02 0.00 0.00 55.97 55.65 1upb s LYS 313 Cb -0.42 -2.41 -0.09 0.00 -0.52 0.00 0.00 37.83 34.39 1upb s LYS 313 CO 0.43 0.59 0.76 0.15 -0.92 0.00 0.00 175.35 176.36 1upb s LYS 314 N -1.33 4.04 0.03 1.68 -0.14 -0.83 -4.96 119.74 118.23 1upb s LYS 314 Ca 0.16 0.73 0.06 0.00 -1.36 0.00 0.00 55.97 55.56 1upb s LYS 314 Cb -0.11 -2.42 -0.02 0.00 -1.68 0.00 0.00 37.83 33.60 1upb s LYS 314 CO 0.06 0.14 -0.17 0.95 -0.76 0.00 0.00 175.35 175.58 1upb s THR 315 N -1.99 1.32 -0.15 2.17 -4.23 -1.26 -1.16 115.64 110.33 1upb s THR 315 Ca 0.55 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 60.07 1upb s THR 315 Cb -0.10 -1.15 0.03 0.00 1.34 0.00 0.00 72.50 72.61 1upb s THR 315 CO 0.17 0.15 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.60 1upb s VAL 316 N -0.72 1.41 -0.16 2.29 1.01 -0.24 -2.06 120.40 121.93 1upb s VAL 316 Ca 0.04 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 1upb s VAL 316 Cb -0.08 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1upb s VAL 316 CO 0.01 0.33 0.37 -0.60 0.00 0.00 0.00 175.10 175.21 1upb s ARG 317 N 1.53 4.27 -0.11 2.72 3.52 -0.27 -0.52 118.95 130.09 1upb s ARG 317 Ca 0.03 0.22 0.01 0.00 -0.13 0.00 0.00 55.73 55.86 1upb s ARG 317 Cb -0.14 -3.45 0.02 0.00 -1.56 0.00 0.00 34.95 29.82 1upb s ARG 317 CO -0.09 0.16 -0.13 0.42 -0.81 0.00 0.00 175.30 174.85 1upb s ILE 318 N 0.68 1.38 -0.25 4.11 1.09 -0.73 -0.27 121.20 127.21 1upb s ILE 318 Ca 0.20 -0.55 -0.26 0.00 -1.10 0.00 0.00 60.65 58.94 1upb s ILE 318 Cb -0.14 -1.29 0.11 0.00 -1.06 0.00 0.00 42.46 40.08 1upb s ILE 318 CO 0.06 0.42 0.94 -0.55 -0.10 0.00 0.00 174.94 175.72 1upb s SER 319 N 1.19 -0.51 -0.05 3.58 0.15 -0.80 -0.15 113.70 117.10 1upb s SER 319 Ca -0.03 0.93 0.01 0.00 0.70 0.00 0.00 55.95 57.55 1upb s SER 319 Cb -0.14 0.92 0.08 0.00 -1.71 0.00 0.00 66.02 65.17 1upb s SER 319 CO -0.04 -0.22 1.06 -0.81 1.20 0.00 0.00 173.24 174.43 1upb n PRO 320 N 2.07 1.19 -4.05 5.44 -0.04 -0.85 -1.90 135.00 136.85 1upb n PRO 320 Ca -0.13 -0.37 -0.12 0.00 -0.04 0.00 0.00 63.50 62.85 1upb n PRO 320 Cb 0.56 -1.19 -0.11 0.00 -0.04 0.00 0.00 33.50 32.72 1upb n PRO 320 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1upb s THR 321 N -0.49 0.43 0.32 0.52 -4.23 -1.26 -0.96 115.64 109.97 1upb s THR 321 Ca 0.07 -1.14 -0.29 0.00 -1.18 0.00 0.00 61.69 59.15 1upb s THR 321 Cb 0.06 -0.64 -0.10 0.00 1.34 0.00 0.00 72.50 73.15 1upb s THR 321 CO 0.01 -0.48 1.24 -0.69 -0.54 0.00 0.00 174.62 174.16 1upb s VAL 322 N -1.69 2.97 -0.14 2.29 1.01 -1.26 -4.84 120.40 118.74 1upb s VAL 322 Ca -0.09 0.97 -0.32 0.00 0.00 0.00 0.00 61.98 62.54 1upb s VAL 322 Cb -0.08 -3.61 -0.10 0.00 0.00 0.00 0.00 36.38 32.59 1upb s VAL 322 CO -0.01 0.23 2.03 -3.20 0.00 0.00 0.00 175.10 174.15 1upb n ASN 323 N 0.89 3.34 0.01 3.32 5.15 -1.26 -4.87 115.26 121.84 1upb n ASN 323 Ca -0.00 0.69 0.13 0.00 -0.60 0.00 0.00 54.58 54.80 1upb n ASN 323 Cb 0.43 -1.43 0.49 0.00 -0.53 0.00 0.00 39.78 38.74 1upb n ASN 323 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1upb n PRO 324 N 7.56 0.03 -2.83 1.20 -0.04 -1.26 -4.48 135.00 135.19 1upb n PRO 324 Ca 0.27 0.02 -0.18 0.00 -0.04 0.00 0.00 63.50 63.57 1upb n PRO 324 Cb 0.34 -1.53 -0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1upb n PRO 324 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1upb n ILE 325 N -1.58 1.23 0.33 0.52 -5.35 -1.26 -4.90 119.36 108.34 1upb n ILE 325 Ca 0.06 -4.26 0.22 0.00 -0.27 0.00 0.00 62.75 58.50 1upb n ILE 325 Cb 0.35 -0.29 1.17 0.00 -1.74 0.00 0.00 39.64 39.12 1upb n ILE 325 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1upb h PRO 326 N 2.92 0.00 -0.49 6.28 0.13 -1.79 0.24 132.00 139.29 1upb h PRO 326 Ca 0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.16 1upb h PRO 326 Cb 0.96 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.07 1upb h PRO 326 CO 0.62 0.00 0.14 -0.09 -0.23 0.00 0.00 178.00 178.43 1upb h ARG 327 N 0.00 0.73 0.00 0.86 2.43 -1.98 -3.34 114.38 113.07 1upb h ARG 327 Ca -0.00 -0.13 -0.39 0.00 -0.81 0.00 0.00 59.98 58.65 1upb h ARG 327 Cb 0.01 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.37 1upb h ARG 327 CO 0.00 0.64 -2.47 0.28 -1.51 0.00 0.00 179.97 176.91 1upb n VAL 328 N -4.31 1.48 -3.92 0.20 0.31 -0.25 -4.92 118.33 106.93 1upb n VAL 328 Ca 0.03 -0.56 -0.30 0.00 -0.01 0.00 0.00 64.34 63.50 1upb n VAL 328 Cb 0.20 -1.43 -0.16 0.00 -0.91 0.00 0.00 33.84 31.55 1upb n VAL 328 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1upb s TYR 329 N -2.52 2.28 -0.70 3.52 5.04 -0.09 -4.86 117.35 120.01 1upb s TYR 329 Ca -0.35 -1.68 -0.03 0.00 -2.44 0.00 0.00 57.07 52.58 1upb s TYR 329 Cb 0.09 -1.53 0.18 0.00 0.35 0.00 0.00 41.96 41.05 1upb s TYR 329 CO 0.59 -0.76 0.53 1.03 -1.34 0.00 0.00 175.55 175.60 1upb s ARG 330 N 1.44 2.76 0.64 4.97 0.52 -1.26 -4.09 118.95 123.92 1upb s ARG 330 Ca -0.05 -2.75 -0.18 0.00 -0.52 0.00 0.00 55.73 52.23 1upb s ARG 330 Cb -0.19 -3.79 -0.01 0.00 0.52 0.00 0.00 34.95 31.48 1upb s ARG 330 CO -0.06 -1.20 1.28 -1.25 0.02 0.00 0.00 175.30 174.09 1upb s PRO 331 N -0.43 2.61 0.29 3.54 0.04 -1.26 -4.90 135.00 134.89 1upb s PRO 331 Ca 0.20 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.32 1upb s PRO 331 Cb -0.16 -1.86 0.45 0.00 0.04 0.00 0.00 34.50 32.96 1upb s PRO 331 CO -0.06 -1.55 1.72 -0.44 0.04 0.00 0.00 177.00 176.71 1upb h ASP 332 N 0.60 0.35 -3.33 6.66 3.32 -1.81 -3.42 116.42 118.79 1upb h ASP 332 Ca -0.51 -0.13 -0.43 0.00 0.02 0.00 0.00 57.03 55.98 1upb h ASP 332 Cb 1.33 -0.10 -0.36 0.00 0.22 0.00 0.00 39.33 40.42 1upb h ASP 332 CO 0.53 0.67 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.27 1upb s VAL 333 N -4.31 0.47 -0.28 -1.35 1.01 -0.97 -5.04 120.40 109.93 1upb s VAL 333 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 1upb s VAL 333 Cb 0.14 -0.57 0.04 0.00 0.00 0.00 0.00 36.38 35.98 1upb s VAL 333 CO 0.78 0.25 -0.01 -0.62 0.00 0.00 0.00 175.10 175.50 1upb s ASP 334 N 1.54 4.74 -0.42 3.32 -1.08 -1.26 -1.11 116.67 122.40 1upb s ASP 334 Ca -0.01 -1.08 -0.08 0.00 -0.52 0.00 0.00 52.55 50.86 1upb s ASP 334 Cb -0.13 -1.72 0.08 0.00 -1.46 0.00 0.00 42.92 39.69 1upb s ASP 334 CO -0.03 -0.21 0.26 -0.69 0.52 0.00 0.00 175.17 175.01 1upb s VAL 335 N 1.31 4.11 -0.60 1.11 1.01 0.63 -4.94 120.40 123.03 1upb s VAL 335 Ca -0.03 -1.49 -0.16 0.00 0.00 0.00 0.00 61.98 60.30 1upb s VAL 335 Cb -0.18 -3.56 0.14 0.00 0.00 0.00 0.00 36.38 32.78 1upb s VAL 335 CO -0.02 -0.54 0.59 -0.69 0.00 0.00 0.00 175.10 174.44 1upb s VAL 336 N 1.39 5.22 0.24 2.92 1.01 -1.26 -1.91 120.40 128.01 1upb s VAL 336 Ca 0.03 -1.60 -0.20 0.00 0.00 0.00 0.00 61.98 60.21 1upb s VAL 336 Cb -0.23 -4.39 0.07 0.00 0.00 0.00 0.00 36.38 31.82 1upb s VAL 336 CO 0.01 -0.95 0.95 0.28 0.00 0.00 0.00 175.10 175.39 1upb s THR 337 N 1.52 0.00 0.27 3.92 -1.32 -0.80 -0.44 115.64 118.79 1upb s THR 337 Ca 0.07 -0.73 -0.30 0.00 -1.21 0.00 0.00 61.69 59.53 1upb s THR 337 Cb -0.25 -2.76 -0.10 0.00 -1.51 0.00 0.00 72.50 67.88 1upb s THR 337 CO 0.01 0.00 1.39 -0.62 -2.21 0.00 0.00 174.62 173.19 1upb s ASP 338 N -3.24 6.71 0.17 8.08 2.15 -1.26 -2.01 116.67 127.27 1upb s ASP 338 Ca 0.19 2.64 -0.14 0.00 0.43 0.00 0.00 52.55 55.67 1upb s ASP 338 Cb -0.03 -2.63 0.05 0.00 -0.30 0.00 0.00 42.92 40.01 1upb s ASP 338 CO 0.07 -0.64 1.81 0.58 -0.17 0.00 0.00 175.17 176.82 1upb h VAL 339 N 3.42 1.15 -0.33 1.11 2.07 -1.92 -0.52 116.25 121.22 1upb h VAL 339 Ca -0.47 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1upb h VAL 339 Cb 1.22 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1upb h VAL 339 CO 0.74 0.15 0.14 0.25 0.02 0.00 0.00 177.57 178.86 1upb h LEU 340 N 0.68 0.46 -1.16 2.57 5.85 -1.90 -1.80 115.31 120.00 1upb h LEU 340 Ca 0.18 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1upb h LEU 340 Cb -0.04 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1upb h LEU 340 CO -0.04 0.49 0.57 0.00 -0.34 0.00 0.00 178.44 179.12 1upb h ALA 341 N 0.98 1.40 -0.39 1.25 0.00 -1.84 -1.40 119.26 119.26 1upb h ALA 341 Ca 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1upb h ALA 341 Cb 0.17 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1upb h ALA 341 CO -0.01 0.55 0.23 0.35 0.00 0.00 0.00 179.25 180.37 1upb h PHE 342 N 1.15 0.52 -0.74 0.00 3.57 -0.79 -2.62 116.94 118.03 1upb h PHE 342 Ca 0.32 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.75 1upb h PHE 342 Cb -0.10 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 1upb h PHE 342 CO -0.00 0.38 0.22 0.28 -2.23 0.00 0.00 178.31 176.96 1upb h VAL 343 N 0.51 1.26 -0.42 1.41 2.07 -0.42 -0.00 116.25 120.65 1upb h VAL 343 Ca 0.14 -0.92 -0.12 0.00 0.82 0.00 0.00 66.70 66.62 1upb h VAL 343 Cb 0.02 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1upb h VAL 343 CO -0.03 0.36 -0.23 -0.33 0.02 0.00 0.00 177.57 177.36 1upb h GLU 344 N 1.10 0.86 -0.09 1.57 5.08 -1.27 -0.27 114.58 121.56 1upb h GLU 344 Ca 0.24 -0.36 -0.13 0.00 -1.00 0.00 0.00 59.36 58.10 1upb h GLU 344 Cb 0.32 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1upb h GLU 344 CO -0.01 1.00 -0.54 1.25 -1.00 0.00 0.00 179.01 179.72 1upb h HIS 345 N 0.74 0.31 -0.07 4.33 2.76 -1.23 -2.85 115.15 119.15 1upb h HIS 345 Ca 0.10 -0.11 -0.13 0.00 -2.20 0.00 0.00 60.37 58.03 1upb h HIS 345 Cb 0.78 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.66 1upb h HIS 345 CO 0.04 0.74 -0.55 0.35 -1.30 0.00 0.00 177.93 177.21 1upb h PHE 346 N 0.19 0.26 0.03 5.26 3.57 -0.72 -1.88 116.94 123.65 1upb h PHE 346 Ca 0.00 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 1upb h PHE 346 Cb 1.01 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.70 1upb h PHE 346 CO 0.02 0.71 -0.01 0.93 -2.23 0.00 0.00 178.31 177.73 1upb h GLU 347 N 0.16 -0.03 -0.22 1.11 4.39 -0.94 -1.28 114.58 117.76 1upb h GLU 347 Ca -0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1upb h GLU 347 Cb 1.02 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 1upb h GLU 347 CO 0.08 0.05 0.14 1.15 -1.16 0.00 0.00 179.01 179.26 1upb h THR 348 N -0.10 1.04 0.00 1.13 2.02 -1.40 -0.41 112.91 115.19 1upb h THR 348 Ca -0.00 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 1upb h THR 348 Cb 0.09 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1upb h THR 348 CO 0.01 0.05 -0.19 0.00 0.37 0.00 0.00 175.52 175.75 1upb h ALA 349 N 1.09 1.31 -0.25 6.16 0.00 -1.26 -3.04 119.26 123.28 1upb h ALA 349 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1upb h ALA 349 Cb -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1upb h ALA 349 CO -0.03 0.24 0.00 0.25 0.00 0.00 0.00 179.25 179.71 1upb n THR 350 N -3.77 2.11 -0.35 0.00 -2.24 -0.49 -4.77 114.28 104.77 1upb n THR 350 Ca -0.02 -1.81 0.05 0.00 -2.27 0.00 0.00 64.05 60.00 1upb n THR 350 Cb 0.30 -0.17 0.22 0.00 -2.10 0.00 0.00 70.33 68.58 1upb n THR 350 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1upb h ALA 351 N 1.68 1.48 -0.49 6.98 0.00 -0.95 -2.72 119.26 125.24 1upb h ALA 351 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1upb h ALA 351 Cb 1.33 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1upb h ALA 351 CO 0.18 0.34 0.00 -1.13 0.00 0.00 0.00 179.25 178.64 1upb n SER 352 N -4.54 3.60 -4.77 0.00 3.41 -1.26 -4.98 113.62 105.09 1upb n SER 352 Ca 0.16 -2.00 -0.38 0.00 -0.26 0.00 0.00 58.87 56.39 1upb n SER 352 Cb 0.25 -0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 63.87 1upb n SER 352 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1upb s PHE 353 N -1.36 2.95 0.39 7.33 0.40 -1.03 -5.02 117.98 121.64 1upb s PHE 353 Ca 0.42 1.51 -0.25 0.00 -0.60 0.00 0.00 56.93 58.01 1upb s PHE 353 Cb 0.24 -3.47 -0.09 0.00 0.51 0.00 0.00 43.02 40.21 1upb s PHE 353 CO 0.32 -1.60 1.10 0.20 0.70 0.00 0.00 175.22 175.95 1upb s GLY 354 N -1.07 2.81 0.62 4.36 0.00 -1.26 -4.99 107.32 107.79 1upb s GLY 354 Ca 0.59 0.82 -0.18 0.00 0.00 0.00 0.00 44.72 45.94 1upb s GLY 354 CO 0.41 1.29 1.27 0.00 0.00 0.00 0.00 173.10 176.07 1upb s ALA 355 N -1.53 2.45 0.30 3.20 0.00 -1.26 -4.97 121.76 119.96 1upb s ALA 355 Ca 0.57 1.16 -0.07 0.00 0.00 0.00 0.00 51.96 53.63 1upb s ALA 355 Cb -0.26 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.28 1upb s ALA 355 CO 0.33 -1.45 0.59 0.15 0.00 0.00 0.00 175.76 175.38 1upb s LYS 356 N -3.33 3.68 -0.15 0.00 -0.14 -0.44 -4.98 119.74 114.37 1upb s LYS 356 Ca 0.80 0.12 -0.29 0.00 -1.36 0.00 0.00 55.97 55.25 1upb s LYS 356 Cb -0.36 -2.60 -0.01 0.00 -1.68 0.00 0.00 37.83 33.19 1upb s LYS 356 CO 0.38 0.18 1.12 -0.65 -0.76 0.00 0.00 175.35 175.62 1upb s GLN 357 N -3.52 4.31 0.21 1.68 -1.52 -1.26 -4.70 119.66 114.86 1upb s GLN 357 Ca 0.46 1.50 -0.14 0.00 -1.95 0.00 0.00 55.36 55.23 1upb s GLN 357 Cb -0.11 -3.63 -0.08 0.00 -0.22 0.00 0.00 33.01 28.98 1upb s GLN 357 CO 0.29 -0.54 0.61 -0.98 -0.25 0.00 0.00 175.29 174.42 1upb s ARG 358 N 2.81 3.98 0.46 2.91 1.70 -1.26 -4.65 118.95 124.90 1upb s ARG 358 Ca 0.50 0.53 -0.22 0.00 -0.47 0.00 0.00 55.73 56.07 1upb s ARG 358 Cb -0.19 -2.75 -0.08 0.00 -0.57 0.00 0.00 34.95 31.35 1upb s ARG 358 CO 0.14 0.36 1.06 -3.38 -1.08 0.00 0.00 175.30 172.40 1upb s HIS 359 N -1.67 3.05 -0.31 5.89 -3.43 -1.26 -4.98 115.29 112.58 1upb s HIS 359 Ca 0.44 1.59 -0.29 0.00 -0.80 0.00 0.00 55.06 56.01 1upb s HIS 359 Cb -0.13 -3.13 0.01 0.00 -1.43 0.00 0.00 32.58 27.90 1upb s HIS 359 CO 0.20 -0.87 1.24 0.34 -2.00 0.00 0.00 174.74 173.65 1upb s ASP 360 N -1.79 6.73 -0.10 7.38 2.15 -1.26 -4.90 116.67 124.88 1upb s ASP 360 Ca 0.64 1.14 0.13 0.00 0.43 0.00 0.00 52.55 54.90 1upb s ASP 360 Cb -0.20 -2.54 0.34 0.00 -0.30 0.00 0.00 42.92 40.22 1upb s ASP 360 CO 0.24 -1.04 1.25 2.30 -0.17 0.00 0.00 175.17 177.75 1upb n ILE 361 N 6.16 1.72 -0.26 4.11 -5.35 -1.26 -4.85 119.36 119.63 1upb n ILE 361 Ca 0.14 -1.66 0.11 0.00 -0.27 0.00 0.00 62.75 61.07 1upb n ILE 361 Cb 0.47 0.02 0.38 0.00 -1.74 0.00 0.00 39.64 38.77 1upb n ILE 361 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1upb h GLU 362 N 1.10 0.67 -0.66 6.28 4.39 -1.98 -0.95 114.58 123.43 1upb h GLU 362 Ca 0.00 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1upb h GLU 362 Cb 1.04 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.50 1upb h GLU 362 CO 0.08 0.45 0.32 -1.35 -1.16 0.00 0.00 179.01 177.35 1upb h PRO 363 N 0.69 0.93 -0.41 2.33 0.11 -1.99 -0.33 132.00 133.33 1upb h PRO 363 Ca 0.43 -0.12 -0.08 0.00 0.11 0.00 0.00 66.00 66.34 1upb h PRO 363 Cb 0.67 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1upb h PRO 363 CO -0.19 0.72 -0.07 1.25 -0.21 0.00 0.00 178.00 179.50 1upb h LEU 364 N 0.93 0.77 -0.79 2.35 5.85 -1.61 -2.21 115.31 120.61 1upb h LEU 364 Ca 0.23 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1upb h LEU 364 Cb 0.09 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1upb h LEU 364 CO -0.03 0.94 0.32 0.03 -0.34 0.00 0.00 178.44 179.36 1upb h ARG 365 N 0.60 1.17 -0.13 1.25 3.08 -0.92 -0.48 114.38 118.96 1upb h ARG 365 Ca 0.11 -0.21 -0.17 0.00 0.07 0.00 0.00 59.98 59.78 1upb h ARG 365 Cb 0.58 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1upb h ARG 365 CO 0.03 0.95 -0.62 0.00 -1.07 0.00 0.00 179.97 179.27 1upb h ALA 366 N 1.17 0.69 0.39 0.04 0.00 -1.07 -1.93 119.26 118.55 1upb h ALA 366 Ca 0.26 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1upb h ALA 366 Cb 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1upb h ALA 366 CO -0.02 0.71 -0.19 -0.09 0.00 0.00 0.00 179.25 179.66 1upb h ARG 367 N 0.34 -0.50 -0.72 0.00 9.65 -0.99 -1.60 114.38 120.55 1upb h ARG 367 Ca -0.01 0.03 0.13 0.00 -1.10 0.00 0.00 59.98 59.03 1upb h ARG 367 Cb 1.16 0.11 -0.09 0.00 -1.39 0.00 0.00 29.97 29.77 1upb h ARG 367 CO 0.11 -0.28 0.28 0.82 2.80 0.00 0.00 179.97 183.70 1upb h ILE 368 N -0.62 0.69 -0.41 1.20 2.04 -0.98 -0.13 117.51 119.30 1upb h ILE 368 Ca -0.05 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.56 1upb h ILE 368 Cb 0.46 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1upb h ILE 368 CO 0.09 0.08 -0.11 0.00 0.00 0.00 0.00 178.15 178.21 1upb h ALA 369 N 1.51 1.04 -0.19 1.87 0.00 -1.26 -1.61 119.26 120.62 1upb h ALA 369 Ca 0.39 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1upb h ALA 369 Cb 0.55 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1upb h ALA 369 CO -0.37 0.58 0.06 1.49 0.00 0.00 0.00 179.25 181.01 1upb h GLU 370 N 0.67 0.29 -0.41 0.00 4.81 -0.25 -1.82 114.58 117.87 1upb h GLU 370 Ca 0.11 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1upb h GLU 370 Cb 0.57 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.82 1upb h GLU 370 CO 0.04 0.40 -0.27 0.35 -0.73 0.00 0.00 179.01 178.80 1upb h PHE 371 N 0.13 -0.73 0.00 0.92 3.57 -0.82 -2.12 116.94 117.89 1upb h PHE 371 Ca 0.06 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 1upb h PHE 371 Cb 0.23 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1upb h PHE 371 CO 0.00 -0.34 -0.30 -0.07 -2.23 0.00 0.00 178.31 175.37 1upb h LEU 372 N -0.20 0.00 -1.00 0.59 3.38 -1.08 -2.53 115.31 114.48 1upb h LEU 372 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1upb h LEU 372 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1upb h LEU 372 CO -0.53 0.30 -0.03 0.00 0.09 0.00 0.00 178.44 178.27 1upb n ALA 373 N -2.43 2.63 -1.33 1.53 0.00 -0.70 -4.73 120.51 115.49 1upb n ALA 373 Ca -0.02 -0.46 -0.54 0.00 0.00 0.00 0.00 53.44 52.42 1upb n ALA 373 Cb 0.36 -1.13 -0.13 0.00 0.00 0.00 0.00 19.45 18.56 1upb n ALA 373 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1upb n ASP 374 N 0.18 0.69 -0.42 0.00 2.03 -0.82 -4.82 116.55 113.40 1upb n ASP 374 Ca 0.18 0.52 0.14 0.00 0.52 0.00 0.00 54.79 56.14 1upb n ASP 374 Cb 0.38 -0.93 0.56 0.00 -0.72 0.00 0.00 41.12 40.41 1upb n ASP 374 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1upb n PRO 375 N 7.83 1.58 -2.15 -0.67 -0.04 -1.26 -4.95 135.00 135.34 1upb n PRO 375 Ca 0.57 -0.84 -0.37 0.00 -0.04 0.00 0.00 63.50 62.83 1upb n PRO 375 Cb -0.00 -1.47 0.01 0.00 -0.04 0.00 0.00 33.50 31.99 1upb n PRO 375 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1upb s GLU 376 N -1.98 3.43 -0.22 0.54 2.12 -1.26 -5.03 118.70 116.30 1upb s GLU 376 Ca 0.39 1.81 -0.08 0.00 0.36 0.00 0.00 54.97 57.44 1upb s GLU 376 Cb 0.21 -2.20 -0.04 0.00 0.26 0.00 0.00 34.13 32.36 1upb s GLU 376 CO 0.33 -0.84 0.09 0.99 -0.54 0.00 0.00 175.26 175.29 1upb s THR 377 N -1.57 4.75 0.08 -1.70 2.01 -1.26 -5.03 115.64 112.92 1upb s THR 377 Ca 0.70 -0.03 -0.01 0.00 0.31 0.00 0.00 61.69 62.65 1upb s THR 377 Cb -0.29 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1upb s THR 377 CO 0.34 0.39 0.25 -0.31 -0.69 0.00 0.00 174.62 174.61 1upb s TYR 378 N 0.94 3.51 -0.01 4.92 1.51 -1.26 -5.02 117.35 121.94 1upb s TYR 378 Ca 0.05 0.33 -0.25 0.00 -1.01 0.00 0.00 57.07 56.18 1upb s TYR 378 Cb -0.14 -1.83 -0.19 0.00 -0.11 0.00 0.00 41.96 39.69 1upb s TYR 378 CO 0.03 0.55 1.31 1.05 -1.11 0.00 0.00 175.55 177.38 1upb h GLU 379 N 3.04 -0.03 0.00 -0.62 9.09 -2.00 -3.40 114.58 120.66 1upb h GLU 379 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.96 1upb h GLU 379 Cb 1.16 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 1upb h GLU 379 CO 0.75 0.39 0.00 -0.40 0.05 0.00 0.00 179.01 179.80 1upb n ASP 380 N -4.90 0.00 0.00 3.06 3.85 -1.26 -5.01 116.55 112.29 1upb n ASP 380 Ca -0.08 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.00 1upb n ASP 380 Cb 0.22 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.99 1upb n ASP 380 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1upb n GLY 381 N 0.00 5.71 3.88 6.12 0.00 -1.26 -4.96 105.19 114.68 1upb n GLY 381 Ca 0.00 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 1upb n GLY 381 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1upb s MET 382 N 1.24 2.59 -0.02 1.61 1.00 -0.38 -4.31 119.30 121.03 1upb s MET 382 Ca 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 55.69 56.07 1upb s MET 382 Cb 0.00 -2.00 -0.04 0.00 0.00 0.00 0.00 34.83 32.79 1upb s MET 382 CO 0.00 -1.21 0.12 1.03 0.00 0.00 0.00 175.02 174.96 1upb s ARG 383 N -5.39 3.22 0.46 2.03 1.81 -1.26 -3.12 118.95 116.70 1upb s ARG 383 Ca 0.59 -0.39 0.12 0.00 -1.72 0.00 0.00 55.73 54.33 1upb s ARG 383 Cb -0.11 -2.97 1.04 0.00 -0.45 0.00 0.00 34.95 32.46 1upb s ARG 383 CO 0.51 0.67 2.07 0.28 -0.68 0.00 0.00 175.30 178.16 1upb h VAL 384 N 3.20 1.07 -0.39 3.52 2.07 -1.98 0.02 116.25 123.76 1upb h VAL 384 Ca -0.50 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1upb h VAL 384 Cb 1.19 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1upb h VAL 384 CO 0.64 0.08 0.15 1.12 0.02 0.00 0.00 177.57 179.58 1upb h HIS 385 N 0.22 0.55 -0.03 1.57 2.07 -1.95 -0.98 115.15 116.59 1upb h HIS 385 Ca 0.06 -0.02 -0.13 0.00 -2.85 0.00 0.00 60.37 57.42 1upb h HIS 385 Cb 0.06 -0.17 -0.02 0.00 2.57 0.00 0.00 27.41 29.85 1upb h HIS 385 CO 0.00 0.44 -0.59 1.96 -3.07 0.00 0.00 177.93 176.67 1upb h GLN 386 N 0.56 0.10 -0.20 5.12 4.20 -1.28 -1.41 115.11 122.19 1upb h GLN 386 Ca 0.14 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 1upb h GLN 386 Cb 0.13 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1upb h GLN 386 CO -0.01 0.66 -0.27 0.28 -0.67 0.00 0.00 178.83 178.82 1upb h VAL 387 N 0.07 1.33 -0.29 -0.54 2.07 -1.02 -2.43 116.25 115.44 1upb h VAL 387 Ca -0.01 -1.47 -0.14 0.00 0.82 0.00 0.00 66.70 65.91 1upb h VAL 387 Cb 1.06 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 1upb h VAL 387 CO 0.08 0.45 -0.38 0.40 0.02 0.00 0.00 177.57 178.14 1upb h ILE 388 N 0.22 1.29 -0.48 4.57 2.04 -1.17 -0.98 117.51 122.99 1upb h ILE 388 Ca 0.02 -1.55 0.07 0.00 1.00 0.00 0.00 64.86 64.41 1upb h ILE 388 Cb 0.84 1.47 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 1upb h ILE 388 CO 0.06 0.50 0.13 -0.78 0.00 0.00 0.00 178.15 178.06 1upb h ASP 389 N 0.57 0.08 -0.21 1.72 3.58 -1.26 0.12 116.42 121.01 1upb h ASP 389 Ca 0.05 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 1upb h ASP 389 Cb 0.91 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 1upb h ASP 389 CO 0.08 0.07 0.08 0.28 -2.88 0.00 0.00 179.24 176.87 1upb h SER 390 N 0.28 0.29 -0.89 2.28 0.02 -1.12 -1.15 113.55 113.27 1upb h SER 390 Ca 0.24 -0.17 0.06 0.00 -0.84 0.00 0.00 61.79 61.07 1upb h SER 390 Cb 0.29 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.69 1upb h SER 390 CO -0.28 0.39 0.56 0.24 -1.14 0.00 0.00 176.83 176.59 1upb h MET 391 N 0.18 0.99 -0.26 3.45 2.86 -0.78 -2.20 114.93 119.17 1upb h MET 391 Ca 0.07 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1upb h MET 391 Cb 0.19 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1upb h MET 391 CO -0.00 0.66 0.16 -0.91 1.06 0.00 0.00 176.91 177.87 1upb h ASN 392 N 1.02 0.28 -0.27 1.22 2.35 -0.44 -1.03 115.58 118.70 1upb h ASN 392 Ca 0.38 -0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.17 1upb h ASN 392 Cb 0.15 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 1upb h ASN 392 CO -0.17 0.20 0.04 0.74 -1.65 0.00 0.00 177.43 176.60 1upb h THR 393 N 0.33 0.86 0.01 2.81 2.02 -0.63 -1.27 112.91 117.06 1upb h THR 393 Ca 0.10 -0.05 -0.21 0.00 0.77 0.00 0.00 66.41 67.02 1upb h THR 393 Cb -0.02 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1upb h THR 393 CO -0.03 0.03 -0.93 0.58 0.37 0.00 0.00 175.52 175.54 1upb h VAL 394 N 0.14 1.49 -0.13 3.16 2.07 -1.33 -2.61 116.25 119.04 1upb h VAL 394 Ca 0.13 -2.67 0.00 0.00 0.82 0.00 0.00 66.70 64.97 1upb h VAL 394 Cb 0.14 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1upb h VAL 394 CO -0.17 0.78 0.08 -0.03 0.02 0.00 0.00 177.57 178.25 1upb h MET 395 N 0.12 0.18 -0.76 1.57 -1.53 -0.99 -0.47 114.93 113.05 1upb h MET 395 Ca -0.06 -0.01 0.06 0.00 -3.44 0.00 0.00 59.70 56.25 1upb h MET 395 Cb 1.57 -0.04 -0.05 0.00 -0.55 0.00 0.00 31.60 32.54 1upb h MET 395 CO 0.14 0.13 0.50 1.49 0.14 0.00 0.00 176.91 179.32 1upb h GLU 396 N 0.16 0.82 -0.18 0.39 4.81 -1.12 -1.56 114.58 117.89 1upb h GLU 396 Ca 0.05 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1upb h GLU 396 Cb 0.00 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1upb h GLU 396 CO -0.01 0.54 -0.03 0.93 -0.73 0.00 0.00 179.01 179.71 1upb h GLU 397 N 0.84 0.34 0.00 1.92 5.08 -1.08 -3.35 114.58 118.34 1upb h GLU 397 Ca 0.32 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1upb h GLU 397 Cb 0.19 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1upb h GLU 397 CO -0.10 0.59 -0.61 0.00 -1.00 0.00 0.00 179.01 177.88 1upb h ALA 398 N 0.74 0.73 -2.70 3.43 0.00 -0.66 -3.45 119.26 117.34 1upb h ALA 398 Ca 0.05 -0.34 -0.63 0.00 0.00 0.00 0.00 54.91 53.98 1upb h ALA 398 Cb 0.45 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1upb h ALA 398 CO 0.02 0.43 -0.39 0.00 0.00 0.00 0.00 179.25 179.30 1upb s ALA 399 N -3.08 3.84 0.76 0.00 0.00 -0.63 -4.81 121.76 117.84 1upb s ALA 399 Ca 0.03 -0.56 -0.15 0.00 0.00 0.00 0.00 51.96 51.28 1upb s ALA 399 Cb 0.07 -2.07 0.02 0.00 0.00 0.00 0.00 23.12 21.14 1upb s ALA 399 CO 0.74 0.63 0.92 0.39 0.00 0.00 0.00 175.76 178.44 1upb n GLU 400 N 1.40 0.35 -1.66 0.00 -0.58 -1.26 -4.87 120.64 114.02 1upb n GLU 400 Ca -0.14 0.18 -0.45 0.00 -0.42 0.00 0.00 57.16 56.33 1upb n GLU 400 Cb 0.53 -2.19 -0.03 0.00 -0.57 0.00 0.00 31.44 29.19 1upb n GLU 400 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1upb n PRO 401 N -2.00 1.91 -1.16 3.49 -0.02 -1.26 -1.91 135.00 134.06 1upb n PRO 401 Ca 0.12 0.68 -0.05 0.00 -2.02 0.00 0.00 63.50 62.23 1upb n PRO 401 Cb 0.50 -2.30 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 1upb n PRO 401 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1upb n GLY 402 N 1.96 0.79 3.37 -1.23 0.00 -1.26 -5.01 105.19 103.81 1upb n GLY 402 Ca 0.11 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 1upb n GLY 402 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upb s GLU 403 N -2.31 1.60 0.00 1.61 2.02 -0.80 -4.58 118.70 116.23 1upb s GLU 403 Ca 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 54.97 53.08 1upb s GLU 403 Cb 0.00 -0.31 0.00 0.00 0.10 0.00 0.00 34.13 33.92 1upb s GLU 403 CO 0.00 -0.38 0.00 0.41 0.02 0.00 0.00 175.26 175.31 1upb n GLY 404 N -0.61 1.57 2.86 -1.39 0.00 -1.26 -4.76 105.19 101.61 1upb n GLY 404 Ca -0.01 -1.71 -0.22 0.00 0.00 0.00 0.00 46.02 44.09 1upb n GLY 404 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1upb s THR 405 N -2.35 0.53 -0.21 2.61 2.01 -0.54 -4.64 115.64 113.05 1upb s THR 405 Ca 0.00 -0.06 -0.08 0.00 0.31 0.00 0.00 61.69 61.86 1upb s THR 405 Cb 0.00 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 1upb s THR 405 CO 0.00 0.25 0.08 -0.63 -0.69 0.00 0.00 174.62 173.63 1upb s ILE 406 N 1.31 4.75 -0.06 1.82 1.01 -0.41 -1.14 121.20 128.48 1upb s ILE 406 Ca -0.05 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.58 1upb s ILE 406 Cb -0.14 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 1upb s ILE 406 CO -0.02 0.41 -0.09 -0.69 0.00 0.00 0.00 174.94 174.55 1upb s VAL 407 N 0.81 3.56 -0.07 2.92 1.01 0.74 -1.11 120.40 128.26 1upb s VAL 407 Ca 0.04 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1upb s VAL 407 Cb -0.13 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1upb s VAL 407 CO 0.02 0.60 -0.14 -0.55 0.00 0.00 0.00 175.10 175.03 1upb s SER 408 N -0.78 1.99 0.98 3.32 0.15 -0.16 -0.55 113.70 118.65 1upb s SER 408 Ca 0.12 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1upb s SER 408 Cb -0.11 -0.89 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 1upb s SER 408 CO 0.01 0.06 0.00 -0.67 1.20 0.00 0.00 173.24 173.84 1upb n ASP 409 N 3.71 -0.42 -4.64 5.45 -0.08 -0.56 -4.42 116.55 115.60 1upb n ASP 409 Ca -0.22 -0.77 -0.33 0.00 -1.51 0.00 0.00 54.79 51.96 1upb n ASP 409 Cb 0.52 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.88 1upb n ASP 409 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1upb s ILE 410 N -0.98 3.96 -5.00 5.18 -1.09 -1.26 -4.61 121.20 117.40 1upb s ILE 410 Ca 0.00 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 1upb s ILE 410 Cb 0.00 -2.70 0.00 0.00 -1.58 0.00 0.00 42.46 38.18 1upb s ILE 410 CO 0.00 0.48 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 1upb n GLY 411 N 1.78 -0.58 0.31 6.18 0.00 -1.26 -4.61 105.19 107.01 1upb n GLY 411 Ca -0.16 -1.50 -0.04 0.00 0.00 0.00 0.00 46.02 44.31 1upb n GLY 411 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1upb h PHE 412 N 0.00 0.99 -0.03 1.61 3.57 -1.94 -1.55 116.94 119.60 1upb h PHE 412 Ca 0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1upb h PHE 412 Cb 0.00 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.40 1upb h PHE 412 CO 0.00 0.62 0.10 0.27 -2.23 0.00 0.00 178.31 177.07 1upb h PHE 413 N 1.06 0.00 -0.01 0.41 -0.00 -1.96 -2.38 116.94 114.06 1upb h PHE 413 Ca 0.29 0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 58.18 1upb h PHE 413 Cb -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 35.83 1upb h PHE 413 CO -0.02 0.00 -0.37 -0.09 -0.00 0.00 0.00 178.31 177.83 1upb h ARG 414 N 0.00 0.03 -0.02 6.09 1.12 -1.53 -2.33 114.38 117.73 1upb h ARG 414 Ca 0.01 -0.01 -0.12 0.00 -1.11 0.00 0.00 59.98 58.75 1upb h ARG 414 Cb 0.21 -0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.15 1upb h ARG 414 CO -0.00 0.40 -0.56 0.45 -3.11 0.00 0.00 179.97 177.15 1upb h HIS 415 N 0.02 0.09 -0.71 2.20 3.86 -1.55 -1.79 115.15 117.28 1upb h HIS 415 Ca -0.00 -0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.11 1upb h HIS 415 Cb 0.67 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.10 1upb h HIS 415 CO 0.00 0.61 0.17 1.88 0.86 0.00 0.00 177.93 181.45 1upb h TYR 416 N 0.05 1.20 -0.74 2.45 -1.99 -1.55 -1.98 116.97 114.42 1upb h TYR 416 Ca -0.00 -0.14 -0.06 0.00 2.00 0.00 0.00 58.73 60.52 1upb h TYR 416 Cb 1.01 -0.34 -0.03 0.00 2.00 0.00 0.00 36.73 39.37 1upb h TYR 416 CO 0.01 0.97 0.22 0.78 -0.00 0.00 0.00 178.16 180.14 1upb h GLY 417 N 1.08 1.23 1.00 3.88 0.00 -1.14 -0.47 103.07 108.65 1upb h GLY 417 Ca 0.22 -0.74 -0.04 0.00 0.00 0.00 0.00 47.33 46.77 1upb h GLY 417 CO 0.00 0.69 0.19 -2.08 0.00 0.00 0.00 176.54 175.34 1upb h VAL 418 N 1.09 1.24 0.06 4.60 2.07 -1.09 -1.05 116.25 123.17 1upb h VAL 418 Ca 0.24 -0.79 -0.28 0.00 0.82 0.00 0.00 66.70 66.69 1upb h VAL 418 Cb 0.32 0.66 0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1upb h VAL 418 CO -0.01 0.30 -1.12 -0.07 0.02 0.00 0.00 177.57 176.70 1upb h LEU 419 N 0.81 0.87 0.00 2.57 3.38 -1.25 -3.41 115.31 118.28 1upb h LEU 419 Ca 0.19 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1upb h LEU 419 Cb 0.27 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1upb h LEU 419 CO -0.01 1.56 -0.37 0.49 0.09 0.00 0.00 178.44 180.20 1upb n PHE 420 N -3.85 0.00 -2.46 1.13 3.72 -0.20 -4.82 117.46 110.98 1upb n PHE 420 Ca -0.12 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.87 1upb n PHE 420 Cb 0.92 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 39.41 1upb n PHE 420 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1upb s ALA 421 N -1.48 3.40 0.20 4.37 0.00 -0.40 -4.89 121.76 122.96 1upb s ALA 421 Ca 0.01 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 1upb s ALA 421 Cb 0.02 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.71 1upb s ALA 421 CO 0.11 -0.22 1.12 0.50 0.00 0.00 0.00 175.76 177.28 1upb s ARG 422 N -0.95 4.58 -0.27 0.00 3.52 -1.26 -4.97 118.95 119.61 1upb s ARG 422 Ca 0.47 1.77 -0.02 0.00 -0.13 0.00 0.00 55.73 57.82 1upb s ARG 422 Cb -0.31 -3.25 0.11 0.00 -1.56 0.00 0.00 34.95 29.94 1upb s ARG 422 CO 0.39 0.07 0.22 0.00 -0.81 0.00 0.00 175.30 175.17 1upb s ALA 423 N -0.40 -0.02 -0.62 6.12 0.00 -1.26 -4.62 121.76 120.95 1upb s ALA 423 Ca 0.49 -0.49 0.16 0.00 0.00 0.00 0.00 51.96 52.12 1upb s ALA 423 Cb -0.31 -1.55 0.75 0.00 0.00 0.00 0.00 23.12 22.01 1upb s ALA 423 CO 0.37 -1.59 1.67 -3.47 0.00 0.00 0.00 175.76 172.73 1upb n ASP 424 N 5.29 5.13 -3.43 0.00 2.03 -1.26 -3.95 116.55 120.35 1upb n ASP 424 Ca -0.04 -2.72 -0.12 0.00 0.52 0.00 0.00 54.79 52.43 1upb n ASP 424 Cb 0.45 -0.62 -0.02 0.00 -0.72 0.00 0.00 41.12 40.21 1upb n ASP 424 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1upb s GLN 425 N -2.36 1.25 0.23 -0.67 -2.07 -1.25 -4.17 119.66 110.62 1upb s GLN 425 Ca 0.52 -0.46 -0.31 0.00 -1.82 0.00 0.00 55.36 53.28 1upb s GLN 425 Cb 0.37 0.57 -0.14 0.00 -1.09 0.00 0.00 33.01 32.72 1upb s GLN 425 CO 0.19 -0.55 1.33 -2.30 -1.32 0.00 0.00 175.29 172.64 1upb n PRO 426 N -0.37 1.81 -2.25 9.60 -0.02 -1.03 -0.87 135.00 141.87 1upb n PRO 426 Ca -0.16 0.64 -0.20 0.00 -2.02 0.00 0.00 63.50 61.76 1upb n PRO 426 Cb 0.65 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 1upb n PRO 426 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1upb n PHE 427 N 1.67 -0.85 0.43 6.00 3.72 -1.25 -4.88 117.46 122.30 1upb n PHE 427 Ca 0.12 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.64 1upb n PHE 427 Cb 0.30 -3.81 0.29 0.00 -0.94 0.00 0.00 39.48 35.32 1upb n PHE 427 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1upb h GLY 428 N 0.00 0.00 -6.29 1.37 0.00 -1.15 -3.41 103.07 93.59 1upb h GLY 428 Ca -0.47 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.32 1upb h GLY 428 CO 0.58 0.00 -0.82 -0.12 0.00 0.00 0.00 176.54 176.18 1upb s PHE 429 N -3.15 1.66 -0.07 5.60 5.36 -1.26 -1.29 117.98 124.83 1upb s PHE 429 Ca 0.09 -0.79 0.04 0.00 -0.96 0.00 0.00 56.93 55.30 1upb s PHE 429 Cb 0.09 -1.28 -0.02 0.00 -0.34 0.00 0.00 43.02 41.47 1upb s PHE 429 CO 0.63 -0.47 -0.17 -0.51 -1.46 0.00 0.00 175.22 173.24 1upb s LEU 430 N 1.29 2.54 0.26 6.12 1.43 -0.27 -4.71 118.68 125.34 1upb s LEU 430 Ca -0.02 -0.31 -0.21 0.00 -1.03 0.00 0.00 54.13 52.56 1upb s LEU 430 Cb -0.14 -1.51 0.05 0.00 0.03 0.00 0.00 46.19 44.62 1upb s LEU 430 CO -0.04 0.28 0.84 0.28 0.23 0.00 0.00 176.35 177.94 1upb s THR 431 N -0.35 0.00 -0.51 5.49 -1.32 -1.26 -0.99 115.64 116.70 1upb s THR 431 Ca 0.03 -0.86 -0.15 0.00 -1.21 0.00 0.00 61.69 59.51 1upb s THR 431 Cb -0.12 -2.32 0.11 0.00 -1.51 0.00 0.00 72.50 68.66 1upb s THR 431 CO 0.02 0.00 0.44 -0.55 -2.21 0.00 0.00 174.62 172.32 1upb s SER 432 N -3.02 6.09 0.04 8.08 0.15 -1.26 -4.88 113.70 118.89 1upb s SER 432 Ca 0.14 -1.65 0.00 0.00 0.70 0.00 0.00 55.95 55.14 1upb s SER 432 Cb -0.04 -2.17 -0.26 0.00 -1.71 0.00 0.00 66.02 61.84 1upb s SER 432 CO 0.07 -0.76 0.99 0.00 1.20 0.00 0.00 173.24 174.73 1upb h ALA 433 N 8.77 0.30 0.00 5.45 0.00 -1.91 -3.14 119.26 128.73 1upb h ALA 433 Ca -0.28 -1.05 -0.01 0.00 0.00 0.00 0.00 54.91 53.56 1upb h ALA 433 Cb 1.10 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1upb h ALA 433 CO 0.96 1.17 -0.12 0.78 0.00 0.00 0.00 179.25 182.04 1upb h GLY 434 N 2.10 0.00 0.38 0.00 0.00 -1.76 -3.41 103.07 100.39 1upb h GLY 434 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.80 1upb h GLY 434 CO 0.16 0.00 -2.00 0.00 0.00 0.00 0.00 176.54 174.70 1upb n SER 436 N -3.63 -3.14 -4.72 0.00 7.64 -1.19 -4.96 113.62 103.63 1upb n SER 436 Ca -0.35 -0.81 -0.42 0.00 1.01 0.00 0.00 58.87 58.29 1upb n SER 436 Cb 0.98 -3.87 -0.03 0.00 -1.01 0.00 0.00 64.21 60.28 1upb n SER 436 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1upb s SER 437 N -3.77 6.97 0.70 6.43 0.15 -1.26 -4.95 113.70 117.97 1upb s SER 437 Ca 0.38 2.19 -0.16 0.00 0.70 0.00 0.00 55.95 59.06 1upb s SER 437 Cb -0.19 -2.59 0.02 0.00 -1.71 0.00 0.00 66.02 61.55 1upb s SER 437 CO 0.83 -0.53 1.22 0.72 1.20 0.00 0.00 173.24 176.68 1upb s PHE 438 N 0.84 2.11 0.00 3.44 -0.71 -1.26 -3.03 117.98 119.38 1upb s PHE 438 Ca 0.60 1.57 0.00 0.00 -1.04 0.00 0.00 56.93 58.06 1upb s PHE 438 Cb -0.33 -3.50 0.00 0.00 -1.21 0.00 0.00 43.02 37.98 1upb s PHE 438 CO 0.31 -2.58 0.00 0.41 -1.34 0.00 0.00 175.22 172.02 1upb n GLY 439 N 0.46 0.96 0.25 1.99 0.00 -1.15 -4.91 105.19 102.78 1upb n GLY 439 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 1upb n GLY 439 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1upb h TYR 440 N 0.00 0.00 0.23 1.61 3.20 -1.85 -3.33 116.97 116.83 1upb h TYR 440 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1upb h TYR 440 Cb 0.00 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 1upb h TYR 440 CO 0.00 0.11 -0.47 0.78 -1.64 0.00 0.00 178.16 176.94 1upb h GLY 441 N 0.38 -1.19 0.66 1.82 0.00 -1.87 -1.20 103.07 101.67 1upb h GLY 441 Ca -0.00 0.61 0.01 0.00 0.00 0.00 0.00 47.33 47.95 1upb h GLY 441 CO 0.01 -0.32 -0.23 -2.22 0.00 0.00 0.00 176.54 173.79 1upb h ILE 442 N -0.76 0.49 -0.88 2.60 2.04 -1.92 -0.54 117.51 118.55 1upb h ILE 442 Ca -0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1upb h ILE 442 Cb 0.72 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 1upb h ILE 442 CO -0.18 0.00 0.58 1.55 0.00 0.00 0.00 178.15 180.10 1upb h PRO 443 N -0.46 1.13 -0.18 2.37 0.13 -1.75 -1.01 132.00 132.22 1upb h PRO 443 Ca 0.01 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 64.98 1upb h PRO 443 Cb 0.46 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.32 1upb h PRO 443 CO -0.09 0.74 -0.31 0.00 -0.23 0.00 0.00 178.00 178.11 1upb h ALA 444 N 1.46 1.13 -0.32 -0.56 0.00 -0.74 -1.13 119.26 119.11 1upb h ALA 444 Ca 0.33 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1upb h ALA 444 Cb -0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1upb h ALA 444 CO -0.08 0.55 -0.49 0.00 0.00 0.00 0.00 179.25 179.23 1upb h ALA 445 N 1.36 0.53 0.24 0.00 0.00 -0.40 -0.69 119.26 120.30 1upb h ALA 445 Ca 0.04 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1upb h ALA 445 Cb 0.71 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1upb h ALA 445 CO 0.05 0.68 -0.17 0.82 0.00 0.00 0.00 179.25 180.64 1upb h ILE 446 N 0.69 0.64 -1.00 0.00 2.04 -1.00 0.28 117.51 119.15 1upb h ILE 446 Ca 0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.93 1upb h ILE 446 Cb 1.09 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 1upb h ILE 446 CO 0.11 0.00 0.65 1.23 0.00 0.00 0.00 178.15 180.14 1upb h GLY 447 N -0.41 1.46 1.05 5.37 0.00 -1.19 -1.30 103.07 108.05 1upb h GLY 447 Ca -0.02 -0.50 -0.16 0.00 0.00 0.00 0.00 47.33 46.66 1upb h GLY 447 CO 0.00 0.42 -0.46 0.00 0.00 0.00 0.00 176.54 176.50 1upb h ALA 448 N 1.42 0.41 -0.46 3.60 0.00 -0.93 -2.01 119.26 121.30 1upb h ALA 448 Ca 0.40 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1upb h ALA 448 Cb 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1upb h ALA 448 CO -0.13 0.56 -0.14 0.37 0.00 0.00 0.00 179.25 179.91 1upb h GLN 449 N 0.52 0.85 0.00 0.00 5.75 -0.72 -1.42 115.11 120.09 1upb h GLN 449 Ca 0.02 -0.31 -0.09 0.00 -0.15 0.00 0.00 58.65 58.12 1upb h GLN 449 Cb 1.06 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.54 1upb h GLN 449 CO 0.10 0.94 -0.42 0.52 -2.65 0.00 0.00 178.83 177.32 1upb h MET 450 N 0.76 0.00 0.00 1.69 2.86 -1.22 -2.40 114.93 116.62 1upb h MET 450 Ca 0.12 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.62 1upb h MET 450 Cb 0.65 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 1upb h MET 450 CO 0.05 0.42 -0.69 0.00 1.06 0.00 0.00 176.91 177.75 1upb h ALA 451 N 1.58 0.58 -2.07 6.32 0.00 -1.06 -3.37 119.26 121.25 1upb h ALA 451 Ca -0.00 -0.61 -0.57 0.00 0.00 0.00 0.00 54.91 53.72 1upb h ALA 451 Cb 0.79 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.10 1upb h ALA 451 CO 0.06 0.82 -0.93 0.54 0.00 0.00 0.00 179.25 179.74 1upb n ARG 452 N -3.24 1.36 0.27 0.00 1.74 -0.56 -4.98 116.66 111.25 1upb n ARG 452 Ca 0.01 -3.73 0.11 0.00 -0.77 0.00 0.00 57.85 53.47 1upb n ARG 452 Cb 0.80 -1.59 0.76 0.00 -1.02 0.00 0.00 32.46 31.42 1upb n ARG 452 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1upb h PRO 453 N 4.03 0.00 -0.46 5.56 0.13 -1.60 -2.08 132.00 137.57 1upb h PRO 453 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1upb h PRO 453 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1upb h PRO 453 CO 0.59 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 178.15 1upb n ASP 454 N -4.10 3.54 -4.76 1.44 8.00 -1.26 -4.95 116.55 114.46 1upb n ASP 454 Ca -0.03 -1.98 -0.33 0.00 0.71 0.00 0.00 54.79 53.16 1upb n ASP 454 Cb 0.12 -0.30 -0.07 0.00 -0.02 0.00 0.00 41.12 40.84 1upb n ASP 454 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1upb s GLN 455 N -1.33 2.98 0.38 -1.24 -0.21 -0.78 -5.01 119.66 114.45 1upb s GLN 455 Ca 0.40 -0.53 -0.27 0.00 0.02 0.00 0.00 55.36 54.98 1upb s GLN 455 Cb 0.23 -2.80 -0.09 0.00 1.00 0.00 0.00 33.01 31.35 1upb s GLN 455 CO 0.31 0.64 1.24 -1.25 -2.12 0.00 0.00 175.29 174.11 1upb s PRO 456 N -1.74 4.13 -0.16 2.91 0.04 -1.26 -4.91 135.00 134.01 1upb s PRO 456 Ca 0.22 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.29 1upb s PRO 456 Cb -0.12 -2.83 0.04 0.00 0.04 0.00 0.00 34.50 31.64 1upb s PRO 456 CO 0.14 -0.32 -0.02 0.99 0.04 0.00 0.00 177.00 177.83 1upb s THR 457 N -1.28 0.85 0.02 1.26 2.01 -1.26 -1.46 115.64 115.78 1upb s THR 457 Ca 0.54 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 62.10 1upb s THR 457 Cb -0.35 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 1upb s THR 457 CO 0.46 0.07 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.02 1upb s PHE 458 N 1.74 2.85 -0.05 4.92 0.08 -0.29 -1.74 117.98 125.50 1upb s PHE 458 Ca 0.01 -0.07 0.06 0.00 0.12 0.00 0.00 56.93 57.05 1upb s PHE 458 Cb -0.15 -1.58 -0.01 0.00 -0.57 0.00 0.00 43.02 40.71 1upb s PHE 458 CO -0.07 0.37 -0.23 -1.17 -0.10 0.00 0.00 175.22 174.02 1upb s LEU 459 N -1.54 2.04 -0.09 -0.37 2.96 0.30 -0.19 118.68 121.78 1upb s LEU 459 Ca 0.18 -0.48 0.04 0.00 -0.22 0.00 0.00 54.13 53.65 1upb s LEU 459 Cb -0.11 -1.29 -0.01 0.00 0.50 0.00 0.00 46.19 45.29 1upb s LEU 459 CO 0.09 0.22 -0.21 -0.51 -1.32 0.00 0.00 176.35 174.62 1upb s ILE 460 N -0.11 2.33 0.04 6.68 2.07 0.29 -0.02 121.20 132.47 1upb s ILE 460 Ca -0.04 -0.94 -0.01 0.00 -1.41 0.00 0.00 60.65 58.26 1upb s ILE 460 Cb -0.13 -1.90 -0.03 0.00 0.13 0.00 0.00 42.46 40.52 1upb s ILE 460 CO 0.03 0.56 -0.02 0.00 -1.91 0.00 0.00 174.94 173.60 1upb s ALA 461 N 0.15 0.30 0.52 1.50 0.00 -0.67 -1.49 121.76 122.07 1upb s ALA 461 Ca -0.11 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 50.95 1upb s ALA 461 Cb -0.16 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.19 1upb s ALA 461 CO 0.06 -0.27 0.76 0.20 0.00 0.00 0.00 175.76 176.51 1upb s GLY 462 N -2.20 1.70 0.18 0.00 0.00 -1.26 -1.01 107.32 104.72 1upb s GLY 462 Ca -0.04 -1.15 -0.09 0.00 0.00 0.00 0.00 44.72 43.44 1upb s GLY 462 CO -0.06 -0.90 1.60 1.29 0.00 0.00 0.00 173.10 175.03 1upb h ASP 463 N 0.14 1.01 0.54 1.64 2.03 -1.78 -0.62 116.42 119.38 1upb h ASP 463 Ca -0.44 -0.34 -0.02 0.00 -0.73 0.00 0.00 57.03 55.50 1upb h ASP 463 Cb 1.28 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 39.49 1upb h ASP 463 CO 0.55 1.14 -0.37 1.23 -1.03 0.00 0.00 179.24 180.75 1upb h GLY 464 N 0.93 -0.97 0.80 7.15 0.00 -1.90 -2.31 103.07 106.76 1upb h GLY 464 Ca 0.13 0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.86 1upb h GLY 464 CO 0.05 -0.34 0.00 -1.33 0.00 0.00 0.00 176.54 174.92 1upb h GLY 465 N -0.88 0.31 0.78 4.60 0.00 -1.81 -2.67 103.07 103.40 1upb h GLY 465 Ca -0.06 -0.22 0.04 0.00 0.00 0.00 0.00 47.33 47.08 1upb h GLY 465 CO 0.04 0.20 0.29 -2.75 0.00 0.00 0.00 176.54 174.33 1upb h PHE 466 N 0.03 0.55 0.00 5.60 3.57 -1.18 -1.92 116.94 123.59 1upb h PHE 466 Ca 0.05 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1upb h PHE 466 Cb 0.37 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1upb h PHE 466 CO 0.03 0.29 -0.23 1.25 -2.23 0.00 0.00 178.31 177.42 1upb h HIS 467 N 0.58 0.00 -0.01 0.41 2.76 -1.42 -0.87 115.15 116.60 1upb h HIS 467 Ca 0.23 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 1upb h HIS 467 Cb 0.09 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 1upb h HIS 467 CO -0.08 0.23 0.03 0.66 -1.30 0.00 0.00 177.93 177.47 1upb h SER 468 N 0.00 0.00 -0.08 3.26 4.64 -0.98 -3.19 113.55 117.20 1upb h SER 468 Ca -0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1upb h SER 468 Cb 0.70 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.45 1upb h SER 468 CO 0.03 0.00 -0.87 -3.20 -0.87 0.00 0.00 176.83 171.92 1upb n ASN 469 N -3.34 0.60 0.12 4.97 5.15 -0.99 -4.95 115.26 116.81 1upb n ASN 469 Ca -0.03 -2.02 0.13 0.00 -0.60 0.00 0.00 54.58 52.07 1upb n ASN 469 Cb 0.11 -0.17 0.40 0.00 -0.53 0.00 0.00 39.78 39.60 1upb n ASN 469 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1upb h SER 470 N 1.13 0.00 0.52 1.20 4.64 -1.15 -3.25 113.55 116.63 1upb h SER 470 Ca -0.29 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.01 1upb h SER 470 Cb 1.65 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.74 1upb h SER 470 CO 0.03 0.00 -0.11 0.28 -0.87 0.00 0.00 176.83 176.15 1upb h SER 471 N 0.00 0.00 0.00 4.97 0.02 -1.87 -1.42 113.55 115.25 1upb h SER 471 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1upb h SER 471 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1upb h SER 471 CO 0.00 0.11 0.00 0.47 -1.14 0.00 0.00 176.83 176.27 1upb n ASP 472 N -3.47 0.00 -0.35 3.07 8.00 -1.23 -2.08 116.55 120.50 1upb n ASP 472 Ca -0.01 -0.83 0.13 0.00 0.71 0.00 0.00 54.79 54.79 1upb n ASP 472 Cb 0.27 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.70 1upb n ASP 472 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1upb h LEU 473 N 0.00 0.77 -1.34 0.64 3.38 -1.52 -1.88 115.31 115.36 1upb h LEU 473 Ca 0.00 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1upb h LEU 473 Cb 0.00 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1upb h LEU 473 CO 0.00 0.28 0.37 -0.08 0.09 0.00 0.00 178.44 179.10 1upb h GLU 474 N 0.75 0.82 -0.49 1.13 4.22 -1.63 -1.69 114.58 117.69 1upb h GLU 474 Ca 0.57 -0.06 -0.06 0.00 0.08 0.00 0.00 59.36 59.88 1upb h GLU 474 Cb 0.90 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1upb h GLU 474 CO -0.36 0.57 0.08 1.15 -2.18 0.00 0.00 179.01 178.27 1upb h THR 475 N 0.84 1.25 -0.96 0.32 2.02 -1.56 -0.36 112.91 114.45 1upb h THR 475 Ca 0.22 -0.93 0.03 0.00 0.77 0.00 0.00 66.41 66.50 1upb h THR 475 Cb -0.04 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 67.21 1upb h THR 475 CO -0.04 0.33 0.63 0.40 0.37 0.00 0.00 175.52 177.21 1upb h ILE 476 N 0.69 1.20 -0.09 3.11 2.04 -0.77 -0.73 117.51 122.96 1upb h ILE 476 Ca 0.15 -0.43 -0.20 0.00 1.00 0.00 0.00 64.86 65.38 1upb h ILE 476 Cb 0.40 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1upb h ILE 476 CO 0.01 0.23 -0.78 0.00 0.00 0.00 0.00 178.15 177.61 1upb h ALA 477 N 1.43 0.47 -0.45 1.87 0.00 -1.12 -1.39 119.26 120.06 1upb h ALA 477 Ca 0.37 -0.62 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 1upb h ALA 477 Cb -0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1upb h ALA 477 CO -0.10 0.74 -0.18 -0.09 0.00 0.00 0.00 179.25 179.62 1upb h ARG 478 N 0.36 0.88 -0.00 0.00 2.43 -0.74 -2.66 114.38 114.65 1upb h ARG 478 Ca -0.05 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1upb h ARG 478 Cb 1.38 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 1upb h ARG 478 CO 0.14 0.99 -0.20 1.28 -1.51 0.00 0.00 179.97 180.68 1upb n LEU 479 N -4.12 0.49 -3.89 3.80 4.77 -0.31 -4.95 117.00 112.79 1upb n LEU 479 Ca 0.01 0.04 -0.24 0.00 -0.03 0.00 0.00 56.01 55.78 1upb n LEU 479 Cb 0.43 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1upb n LEU 479 CO 0.45 0.10 -0.19 -3.20 -1.33 0.00 0.00 177.39 173.22 1upb n ASN 480 N -1.10 -0.54 -4.61 -1.43 5.15 -0.56 -4.94 115.26 107.22 1upb n ASN 480 Ca 0.11 -0.96 -0.41 0.00 -0.60 0.00 0.00 54.58 52.72 1upb n ASN 480 Cb 0.31 -3.30 -0.06 0.00 -0.53 0.00 0.00 39.78 36.20 1upb n ASN 480 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1upb s LEU 481 N -6.90 4.10 0.00 1.20 1.43 -0.97 -4.84 118.68 112.70 1upb s LEU 481 Ca 0.01 0.62 -0.04 0.00 -1.03 0.00 0.00 54.13 53.69 1upb s LEU 481 Cb -0.01 -2.91 -0.18 0.00 0.03 0.00 0.00 46.19 43.12 1upb s LEU 481 CO 0.87 -0.47 2.68 -0.81 0.23 0.00 0.00 176.35 178.85 1upb n PRO 482 N 5.90 1.40 -2.47 1.29 -0.04 -1.26 -3.56 135.00 136.26 1upb n PRO 482 Ca 0.01 -0.68 -0.42 0.00 -0.04 0.00 0.00 63.50 62.37 1upb n PRO 482 Cb 0.49 -1.82 -0.03 0.00 -0.04 0.00 0.00 33.50 32.10 1upb n PRO 482 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1upb s ILE 483 N 1.49 4.01 -0.28 0.52 1.01 -1.26 -4.63 121.20 122.06 1upb s ILE 483 Ca 0.45 1.55 -0.10 0.00 0.00 0.00 0.00 60.65 62.56 1upb s ILE 483 Cb 0.22 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1upb s ILE 483 CO 0.00 0.18 0.16 -0.69 0.00 0.00 0.00 174.94 174.59 1upb s VAL 484 N 0.52 5.00 -0.08 2.92 1.01 -0.71 -1.86 120.40 127.21 1upb s VAL 484 Ca 0.54 -0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.53 1upb s VAL 484 Cb -0.29 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1upb s VAL 484 CO 0.32 0.23 -0.07 -0.89 0.00 0.00 0.00 175.10 174.68 1upb s THR 485 N 1.71 3.67 -0.19 3.92 2.01 -0.01 -0.54 115.64 126.20 1upb s THR 485 Ca 0.07 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.59 1upb s THR 485 Cb -0.16 -2.51 0.03 0.00 0.01 0.00 0.00 72.50 69.87 1upb s THR 485 CO 0.09 0.59 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.74 1upb s VAL 486 N -0.68 1.99 -0.41 3.82 1.01 0.96 -0.47 120.40 126.62 1upb s VAL 486 Ca 0.10 -1.02 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 1upb s VAL 486 Cb -0.11 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.42 1upb s VAL 486 CO 0.02 0.41 0.30 -0.69 0.00 0.00 0.00 175.10 175.13 1upb s VAL 487 N 1.29 5.12 -0.41 2.92 1.01 0.31 -1.67 120.40 128.97 1upb s VAL 487 Ca 0.02 -0.77 -0.26 0.00 0.00 0.00 0.00 61.98 60.97 1upb s VAL 487 Cb -0.14 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.36 1upb s VAL 487 CO -0.11 -0.34 0.96 0.68 0.00 0.00 0.00 175.10 176.28 1upb s VAL 488 N 1.65 4.50 -0.22 2.92 -7.23 -0.18 -1.08 120.40 120.76 1upb s VAL 488 Ca 0.04 1.09 -0.03 0.00 -1.81 0.00 0.00 61.98 61.27 1upb s VAL 488 Cb -0.20 -4.40 0.00 0.00 0.56 0.00 0.00 36.38 32.34 1upb s VAL 488 CO 0.09 -0.68 -0.06 0.21 -0.31 0.00 0.00 175.10 174.35 1upb s ASN 489 N 2.05 4.18 -0.10 4.85 2.47 -0.12 -2.55 114.94 125.72 1upb s ASN 489 Ca 0.39 -0.50 0.14 0.00 0.42 0.00 0.00 52.86 53.32 1upb s ASN 489 Cb -0.11 -1.70 0.24 0.00 -1.45 0.00 0.00 41.25 38.23 1upb s ASN 489 CO 0.22 -0.04 1.12 -0.46 -3.72 0.00 0.00 177.10 174.23 1upb n ASN 490 N 4.76 1.70 -3.38 -4.21 6.94 -1.26 -1.51 115.26 118.30 1upb n ASN 490 Ca -0.18 -2.89 -0.24 0.00 -0.02 0.00 0.00 54.58 51.24 1upb n ASN 490 Cb 0.50 -0.38 0.01 0.00 -2.36 0.00 0.00 39.78 37.55 1upb n ASN 490 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1upb n ASP 491 N -1.00 -4.55 -3.66 0.53 8.00 -1.26 -4.94 116.55 109.67 1upb n ASP 491 Ca 0.12 -0.44 -0.15 0.00 0.71 0.00 0.00 54.79 55.04 1upb n ASP 491 Cb 0.68 -3.71 -0.08 0.00 -0.02 0.00 0.00 41.12 37.99 1upb n ASP 491 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1upb s THR 492 N -3.06 0.02 -1.24 -3.53 2.01 -1.26 -1.41 115.64 107.17 1upb s THR 492 Ca 0.43 -0.13 -0.21 0.00 0.31 0.00 0.00 61.69 62.09 1upb s THR 492 Cb -0.21 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 1upb s THR 492 CO 0.52 -0.07 1.84 0.20 -0.69 0.00 0.00 174.62 176.43 1upb s ASN 493 N -0.59 5.84 0.15 3.53 0.01 -0.38 -4.30 114.94 119.21 1upb s ASN 493 Ca -0.07 -2.02 -0.14 0.00 -0.71 0.00 0.00 52.86 49.93 1upb s ASN 493 Cb -0.03 -2.59 0.04 0.00 0.41 0.00 0.00 41.25 39.08 1upb s ASN 493 CO 0.04 -2.22 1.72 1.23 -1.51 0.00 0.00 177.10 176.36 1upb h GLY 494 N 15.41 0.79 0.65 0.66 0.00 -1.96 -1.94 103.07 116.69 1upb h GLY 494 Ca 0.32 -0.41 0.10 0.00 0.00 0.00 0.00 47.33 47.34 1upb h GLY 494 CO 1.33 0.39 0.60 -2.00 0.00 0.00 0.00 176.54 176.86 1upb h LEU 495 N 0.66 0.84 -0.35 3.11 6.46 -1.93 0.04 115.31 124.14 1upb h LEU 495 Ca 0.17 0.03 -0.18 0.00 -0.12 0.00 0.00 57.88 57.78 1upb h LEU 495 Cb 0.16 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.95 1upb h LEU 495 CO -0.02 0.48 -0.55 0.40 -0.62 0.00 0.00 178.44 178.13 1upb h ILE 496 N 0.92 1.28 -0.81 4.05 1.08 -1.79 -0.81 117.51 121.43 1upb h ILE 496 Ca 0.44 -1.75 -0.00 0.00 -0.39 0.00 0.00 64.86 63.15 1upb h ILE 496 Cb 0.43 1.66 -0.04 0.00 -3.07 0.00 0.00 36.82 35.81 1upb h ILE 496 CO -0.20 0.56 0.49 -0.08 -0.69 0.00 0.00 178.15 178.24 1upb h GLU 497 N 0.61 1.09 -0.32 2.37 4.81 -0.67 -0.95 114.58 121.52 1upb h GLU 497 Ca 0.01 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1upb h GLU 497 Cb 1.14 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 1upb h GLU 497 CO 0.12 0.76 0.20 1.25 -0.73 0.00 0.00 179.01 180.61 1upb h LEU 498 N 1.11 0.34 -1.46 1.64 6.46 -0.60 -2.22 115.31 120.58 1upb h LEU 498 Ca 0.29 -0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 58.01 1upb h LEU 498 Cb -0.05 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 39.79 1upb h LEU 498 CO -0.06 0.25 -0.06 1.88 -0.62 0.00 0.00 178.44 179.84 1upb h TYR 499 N 0.41 0.29 -0.40 1.25 0.05 -0.57 -0.68 116.97 117.32 1upb h TYR 499 Ca 0.12 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 1upb h TYR 499 Cb -0.03 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 1upb h TYR 499 CO -0.06 0.35 0.17 1.96 -1.05 0.00 0.00 178.16 179.52 1upb h GLN 500 N 0.27 0.59 -0.34 4.88 4.20 -0.77 -2.48 115.11 121.45 1upb h GLN 500 Ca 0.06 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 1upb h GLN 500 Cb 0.28 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1upb h GLN 500 CO 0.01 0.55 -0.25 -0.91 -0.67 0.00 0.00 178.83 177.56 1upb h ASN 501 N 0.50 0.70 -0.71 1.46 2.35 -0.90 0.02 115.58 119.00 1upb h ASN 501 Ca 0.13 -0.26 -0.06 0.00 -0.55 0.00 0.00 56.30 55.57 1upb h ASN 501 Cb 0.17 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 1upb h ASN 501 CO -0.01 0.93 0.23 0.40 -1.65 0.00 0.00 177.43 177.32 1upb h ILE 502 N 0.60 1.26 0.04 2.81 2.04 -0.98 -0.99 117.51 122.29 1upb h ILE 502 Ca 0.08 -0.89 -0.31 0.00 1.00 0.00 0.00 64.86 64.75 1upb h ILE 502 Cb 0.74 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1upb h ILE 502 CO 0.06 0.35 -1.71 1.23 0.00 0.00 0.00 178.15 178.08 1upb h GLY 503 N 1.10 0.11 0.00 5.37 0.00 -1.33 -3.41 103.07 104.91 1upb h GLY 503 Ca 0.23 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1upb h GLY 503 CO -0.01 0.24 0.00 1.42 0.00 0.00 0.00 176.54 178.19 1upb n HIS 504 N -3.21 0.00 -2.10 5.60 8.25 -0.02 -5.02 115.22 118.72 1upb n HIS 504 Ca -0.19 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.11 1upb n HIS 504 Cb 1.04 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.13 1upb n HIS 504 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1upb n HIS 505 N -0.73 -0.57 -3.71 4.41 -0.00 -0.38 -4.97 115.22 109.27 1upb n HIS 505 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.66 1upb n HIS 505 Cb 0.01 -3.15 -0.02 0.00 -0.00 0.00 0.00 29.99 26.83 1upb n HIS 505 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 1upb s ARG 506 N -4.44 1.27 0.31 -0.41 1.70 -1.26 -4.96 118.95 111.15 1upb s ARG 506 Ca 0.00 -0.66 -0.02 0.00 -0.47 0.00 0.00 55.73 54.58 1upb s ARG 506 Cb 0.00 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 1upb s ARG 506 CO 0.00 -0.58 0.53 -1.12 -1.08 0.00 0.00 175.30 173.05 1upb s SER 507 N -2.85 6.36 -0.30 -2.89 0.01 -1.26 -3.32 113.70 109.45 1upb s SER 507 Ca 0.10 0.54 -0.02 0.00 1.31 0.00 0.00 55.95 57.88 1upb s SER 507 Cb -0.02 -2.07 0.10 0.00 0.21 0.00 0.00 66.02 64.24 1upb s SER 507 CO 0.00 -0.23 0.11 -2.28 0.41 0.00 0.00 173.24 171.25 1upb s HIS 508 N -2.18 1.27 0.29 2.43 2.46 -1.26 -5.07 115.29 113.24 1upb s HIS 508 Ca 0.41 -1.45 -0.01 0.00 0.47 0.00 0.00 55.06 54.48 1upb s HIS 508 Cb -0.10 -1.45 0.48 0.00 -0.13 0.00 0.00 32.58 31.38 1upb s HIS 508 CO 0.33 -0.86 1.91 -0.44 -2.47 0.00 0.00 174.74 173.22 1upb h ASP 509 N 8.19 0.95 0.00 9.88 3.32 -1.98 -2.72 116.42 134.05 1upb h ASP 509 Ca -0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1upb h ASP 509 Cb 1.02 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1upb h ASP 509 CO 0.46 0.63 0.18 -0.65 -1.72 0.00 0.00 179.24 178.14 1upb h PRO 510 N 1.09 0.00 -0.02 3.56 0.11 -1.98 0.96 132.00 135.73 1upb h PRO 510 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 1upb h PRO 510 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1upb h PRO 510 CO -0.14 0.00 -0.40 0.00 -0.21 0.00 0.00 178.00 177.26 1upb n ALA 511 N -1.92 3.38 0.00 -0.75 0.00 -1.03 -4.66 120.51 115.53 1upb n ALA 511 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1upb n ALA 511 Cb 0.24 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1upb n ALA 511 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1upb n VAL 512 N 0.14 0.00 -3.82 0.00 0.24 -0.64 -4.99 118.33 109.26 1upb n VAL 512 Ca 0.10 -0.01 -0.36 0.00 -2.04 0.00 0.00 64.34 62.03 1upb n VAL 512 Cb 0.48 0.49 -0.07 0.00 -1.47 0.00 0.00 33.84 33.27 1upb n VAL 512 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1upb s LYS 513 N -0.05 3.73 0.27 7.34 -0.14 0.24 -1.25 119.74 129.88 1upb s LYS 513 Ca 0.00 -0.16 0.08 0.00 -1.36 0.00 0.00 55.97 54.53 1upb s LYS 513 Cb 0.00 -3.28 -0.04 0.00 -1.68 0.00 0.00 37.83 32.83 1upb s LYS 513 CO 0.00 0.59 0.09 -0.06 -0.76 0.00 0.00 175.35 175.21 1upb s PHE 514 N -0.49 2.85 0.36 3.18 0.08 -0.50 -4.90 117.98 118.56 1upb s PHE 514 Ca 0.12 -0.20 -0.05 0.00 0.12 0.00 0.00 56.93 56.92 1upb s PHE 514 Cb -0.12 -1.32 0.08 0.00 -0.57 0.00 0.00 43.02 41.09 1upb s PHE 514 CO 0.02 0.55 0.49 0.41 -0.10 0.00 0.00 175.22 176.59 1upb n GLY 515 N -1.03 -0.90 3.74 4.36 0.00 -1.26 -4.77 105.19 105.32 1upb n GLY 515 Ca -0.07 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 1upb n GLY 515 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1upb s GLY 516 N -3.99 2.56 -0.09 -0.02 0.00 -1.26 -4.89 107.32 99.64 1upb s GLY 516 Ca 0.28 1.02 0.03 0.00 0.00 0.00 0.00 44.72 46.06 1upb s GLY 516 CO 0.20 1.96 -0.20 0.14 0.00 0.00 0.00 173.10 175.20 1upb s VAL 517 N 0.08 1.74 -0.69 1.40 1.01 -1.26 -5.09 120.40 117.59 1upb s VAL 517 Ca 0.55 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 61.51 1upb s VAL 517 Cb -0.34 -1.52 0.12 0.00 0.00 0.00 0.00 36.38 34.64 1upb s VAL 517 CO 0.37 0.49 0.81 -0.62 0.00 0.00 0.00 175.10 176.15 1upb s ASP 518 N 0.43 6.34 0.45 3.32 -1.08 -1.26 -4.88 116.67 119.99 1upb s ASP 518 Ca -0.17 -1.67 0.25 0.00 -0.52 0.00 0.00 52.55 50.44 1upb s ASP 518 Cb -0.17 -2.32 0.74 0.00 -1.46 0.00 0.00 42.92 39.71 1upb s ASP 518 CO 0.07 -1.07 1.75 -0.26 0.52 0.00 0.00 175.17 176.18 1upb h PHE 519 N 8.98 0.00 0.52 -5.34 0.04 -1.98 -0.67 116.94 118.48 1upb h PHE 519 Ca -0.16 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.58 1upb h PHE 519 Cb 1.07 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.22 1upb h PHE 519 CO 0.93 0.13 -0.25 0.28 -0.60 0.00 0.00 178.31 178.80 1upb h VAL 520 N 0.00 0.42 -0.19 -0.55 2.07 -1.90 -0.98 116.25 115.12 1upb h VAL 520 Ca -0.00 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1upb h VAL 520 Cb 0.85 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1upb h VAL 520 CO 0.02 0.05 0.07 0.00 0.02 0.00 0.00 177.57 177.72 1upb h ALA 521 N -0.55 1.77 0.06 1.67 0.00 -1.93 -1.80 119.26 118.48 1upb h ALA 521 Ca -0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1upb h ALA 521 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1upb h ALA 521 CO 0.12 0.19 -0.03 1.25 0.00 0.00 0.00 179.25 180.78 1upb h LEU 522 N 0.26 -0.06 -0.44 0.00 5.85 -1.03 -1.19 115.31 118.70 1upb h LEU 522 Ca 0.07 -0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.62 1upb h LEU 522 Cb 0.07 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 1upb h LEU 522 CO -0.01 0.21 0.05 0.00 -0.34 0.00 0.00 178.44 178.36 1upb h ALA 523 N 0.59 0.45 -0.12 1.25 0.00 -0.94 -2.62 119.26 117.87 1upb h ALA 523 Ca -0.01 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1upb h ALA 523 Cb 0.30 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1upb h ALA 523 CO 0.01 -0.35 -0.26 0.93 0.00 0.00 0.00 179.25 179.59 1upb h GLU 524 N 0.18 0.22 -0.13 0.00 5.08 -0.90 -0.28 114.58 118.74 1upb h GLU 524 Ca 0.22 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1upb h GLU 524 Cb 0.29 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1upb h GLU 524 CO -0.31 0.47 -0.05 0.00 -1.00 0.00 0.00 179.01 178.12 1upb h ALA 525 N 1.54 1.69 -0.12 3.43 0.00 -0.86 -1.35 119.26 123.60 1upb h ALA 525 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1upb h ALA 525 Cb 0.57 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1upb h ALA 525 CO 0.04 0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.61 1upb n ASN 526 N -4.38 1.27 -0.08 0.00 3.02 -0.24 -4.92 115.26 109.93 1upb n ASN 526 Ca -0.01 -1.62 -0.01 0.00 -0.03 0.00 0.00 54.58 52.92 1upb n ASN 526 Cb 0.19 -0.07 -0.00 0.00 -0.61 0.00 0.00 39.78 39.28 1upb n ASN 526 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1upb n GLY 527 N 1.06 0.40 3.35 7.41 0.00 -0.51 -4.40 105.19 112.50 1upb n GLY 527 Ca 0.16 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 1upb n GLY 527 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upb s VAL 528 N -2.04 3.37 0.45 1.61 1.01 -0.46 -4.89 120.40 119.45 1upb s VAL 528 Ca 0.00 -0.51 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 1upb s VAL 528 Cb 0.00 -2.50 -0.07 0.00 0.00 0.00 0.00 36.38 33.81 1upb s VAL 528 CO 0.00 0.46 1.17 -1.81 0.00 0.00 0.00 175.10 174.92 1upb s ASP 529 N 1.04 6.20 0.23 3.32 1.01 -1.26 -2.29 116.67 124.92 1upb s ASP 529 Ca 0.00 2.33 -0.15 0.00 0.71 0.00 0.00 52.55 55.44 1upb s ASP 529 Cb -0.15 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.19 1upb s ASP 529 CO -0.00 -0.90 0.52 0.00 0.21 0.00 0.00 175.17 175.00 1upb s ALA 530 N -1.52 -0.58 0.14 5.23 0.00 -1.26 -1.72 121.76 122.06 1upb s ALA 530 Ca 0.63 -0.61 -0.23 0.00 0.00 0.00 0.00 51.96 51.75 1upb s ALA 530 Cb -0.29 0.96 0.06 0.00 0.00 0.00 0.00 23.12 23.85 1upb s ALA 530 CO 0.36 -0.86 0.58 -0.08 0.00 0.00 0.00 175.76 175.75 1upb s THR 531 N -3.96 0.01 0.07 0.00 -1.32 -0.71 -4.97 115.64 104.76 1upb s THR 531 Ca 0.17 -0.08 -0.13 0.00 -1.21 0.00 0.00 61.69 60.43 1upb s THR 531 Cb -0.01 -1.02 -0.06 0.00 -1.51 0.00 0.00 72.50 69.89 1upb s THR 531 CO 0.05 -0.05 0.45 -0.60 -2.21 0.00 0.00 174.62 172.27 1upb s ARG 532 N -3.55 3.90 -0.03 7.08 3.52 -1.26 -1.77 118.95 126.83 1upb s ARG 532 Ca 0.00 0.37 -0.00 0.00 -0.13 0.00 0.00 55.73 55.97 1upb s ARG 532 Cb -0.01 -3.06 0.03 0.00 -1.56 0.00 0.00 34.95 30.35 1upb s ARG 532 CO -0.11 0.58 0.02 0.00 -0.81 0.00 0.00 175.30 174.98 1upb s ALA 533 N -1.30 0.22 -0.40 6.12 0.00 -0.29 -4.92 121.76 121.19 1upb s ALA 533 Ca 0.31 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.53 1upb s ALA 533 Cb -0.15 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.63 1upb s ALA 533 CO 0.17 -0.17 0.51 0.25 0.00 0.00 0.00 175.76 176.52 1upb n THR 534 N 4.38 0.00 -3.93 0.00 -2.24 -1.26 -4.17 114.28 107.06 1upb n THR 534 Ca -0.23 -0.48 -0.09 0.00 -2.27 0.00 0.00 64.05 60.98 1upb n THR 534 Cb 0.50 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.76 1upb n THR 534 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1upb s ASN 535 N -0.53 -0.01 0.25 3.42 2.20 -1.26 -4.37 114.94 114.64 1upb s ASN 535 Ca 0.04 -0.93 -0.03 0.00 -0.94 0.00 0.00 52.86 50.99 1upb s ASN 535 Cb 0.03 0.68 0.46 0.00 -2.00 0.00 0.00 41.25 40.42 1upb s ASN 535 CO 0.07 -1.32 1.76 0.03 -2.94 0.00 0.00 177.10 174.70 1upb h ARG 536 N 2.12 0.56 -0.16 3.55 3.08 -1.96 -1.38 114.38 120.19 1upb h ARG 536 Ca -0.25 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 1upb h ARG 536 Cb 1.25 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 1upb h ARG 536 CO 0.33 0.37 0.05 1.49 -1.07 0.00 0.00 179.97 181.14 1upb h GLU 537 N 0.58 0.25 -0.33 0.04 4.81 -1.99 0.52 114.58 118.45 1upb h GLU 537 Ca 0.42 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.51 1upb h GLU 537 Cb 0.56 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1upb h GLU 537 CO -0.34 0.37 -0.14 0.93 -0.73 0.00 0.00 179.01 179.09 1upb h GLU 538 N 0.08 0.58 -0.16 1.92 5.08 -1.91 -2.54 114.58 117.64 1upb h GLU 538 Ca 0.05 -0.19 -0.16 0.00 -1.00 0.00 0.00 59.36 58.06 1upb h GLU 538 Cb 0.23 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.43 1upb h GLU 538 CO -0.00 0.71 -0.54 1.25 -1.00 0.00 0.00 179.01 179.42 1upb h LEU 539 N 0.53 0.75 -0.80 1.33 5.85 -0.99 -1.61 115.31 120.37 1upb h LEU 539 Ca 0.09 -0.60 0.02 0.00 0.84 0.00 0.00 57.88 58.23 1upb h LEU 539 Cb 0.56 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1upb h LEU 539 CO 0.04 1.23 0.52 -0.07 -0.34 0.00 0.00 178.44 179.81 1upb h LEU 540 N 0.32 0.89 -0.27 2.25 3.38 -0.83 -0.28 115.31 120.76 1upb h LEU 540 Ca -0.02 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1upb h LEU 540 Cb 1.17 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1upb h LEU 540 CO 0.12 0.63 -0.28 0.00 0.09 0.00 0.00 178.44 179.00 1upb h ALA 541 N 1.31 0.40 -0.41 1.53 0.00 -1.40 -1.38 119.26 119.32 1upb h ALA 541 Ca 0.30 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1upb h ALA 541 Cb -0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1upb h ALA 541 CO -0.08 0.41 0.23 0.00 0.00 0.00 0.00 179.25 179.81 1upb h ALA 542 N 0.69 0.52 -0.88 0.00 0.00 -1.12 -0.75 119.26 117.72 1upb h ALA 542 Ca 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1upb h ALA 542 Cb 0.85 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1upb h ALA 542 CO 0.07 0.03 0.52 -0.07 0.00 0.00 0.00 179.25 179.80 1upb h LEU 543 N 0.53 1.06 -0.40 0.00 3.38 -1.01 -0.51 115.31 118.36 1upb h LEU 543 Ca 0.14 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 1upb h LEU 543 Cb 0.03 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1upb h LEU 543 CO -0.02 0.82 -0.67 0.03 0.09 0.00 0.00 178.44 178.69 1upb h ARG 544 N 1.22 0.54 0.10 1.13 3.08 -0.90 -0.77 114.38 118.77 1upb h ARG 544 Ca 0.31 -0.40 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1upb h ARG 544 Cb -0.03 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1upb h ARG 544 CO -0.06 1.02 -0.05 -0.22 -1.07 0.00 0.00 179.97 179.59 1upb h LYS 545 N 0.38 -0.13 -0.86 0.04 3.64 -1.00 -2.75 116.57 115.89 1upb h LYS 545 Ca -0.02 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1upb h LYS 545 Cb 1.24 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.05 1upb h LYS 545 CO 0.12 -0.03 0.55 0.78 -2.27 0.00 0.00 179.45 178.60 1upb h GLY 546 N -0.19 1.22 1.65 5.01 0.00 -0.98 -1.21 103.07 108.57 1upb h GLY 546 Ca -0.01 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 1upb h GLY 546 CO 0.02 0.46 -0.12 0.00 0.00 0.00 0.00 176.54 176.90 1upb h ALA 547 N 1.30 1.31 -0.03 3.60 0.00 -1.12 -2.90 119.26 121.43 1upb h ALA 547 Ca 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1upb h ALA 547 Cb -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1upb h ALA 547 CO -0.06 0.46 -0.03 -0.85 0.00 0.00 0.00 179.25 178.76 1upb n GLU 548 N -4.22 2.12 0.22 0.00 0.28 -1.04 -4.54 120.64 113.46 1upb n GLU 548 Ca 0.00 -1.68 0.09 0.00 -0.16 0.00 0.00 57.16 55.41 1upb n GLU 548 Cb 0.31 -1.47 0.44 0.00 1.43 0.00 0.00 31.44 32.16 1upb n GLU 548 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1upb h LEU 549 N 4.11 0.00 1.63 -1.84 5.85 -1.01 -3.47 115.31 120.58 1upb h LEU 549 Ca 0.00 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.36 1upb h LEU 549 Cb 0.89 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.84 1upb h LEU 549 CO 0.00 0.24 -0.38 0.61 -0.34 0.00 0.00 178.44 178.57 1upb n GLY 550 N 0.15 0.74 3.31 3.75 0.00 -1.26 -4.97 105.19 106.92 1upb n GLY 550 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1upb n GLY 550 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upb s ARG 551 N -4.14 1.02 0.82 1.61 0.52 -1.26 -4.84 118.95 112.68 1upb s ARG 551 Ca 0.00 -0.63 -0.12 0.00 -0.52 0.00 0.00 55.73 54.46 1upb s ARG 551 Cb 0.00 0.45 0.09 0.00 0.52 0.00 0.00 34.95 36.01 1upb s ARG 551 CO 0.00 -0.39 1.16 -1.25 0.02 0.00 0.00 175.30 174.85 1upb s PRO 552 N -3.47 1.67 -0.16 3.54 0.04 -1.23 -4.52 135.00 130.86 1upb s PRO 552 Ca 0.01 1.58 -0.20 0.00 0.04 0.00 0.00 61.00 62.43 1upb s PRO 552 Cb 0.01 -1.80 0.05 0.00 0.04 0.00 0.00 34.50 32.81 1upb s PRO 552 CO -0.10 -2.16 0.53 0.12 0.04 0.00 0.00 177.00 175.44 1upb s PHE 553 N -2.41 -0.55 0.02 0.56 5.36 -0.78 -4.13 117.98 116.05 1upb s PHE 553 Ca 0.69 1.27 0.06 0.00 -0.96 0.00 0.00 56.93 57.99 1upb s PHE 553 Cb -0.25 0.22 -0.02 0.00 -0.34 0.00 0.00 43.02 42.63 1upb s PHE 553 CO 0.52 -0.34 -0.17 -1.17 -1.46 0.00 0.00 175.22 172.61 1upb s LEU 554 N -0.08 2.12 -0.12 6.12 0.20 -0.70 -0.83 118.68 125.39 1upb s LEU 554 Ca -0.03 -0.42 -0.00 0.00 0.69 0.00 0.00 54.13 54.37 1upb s LEU 554 Cb -0.03 -0.82 0.03 0.00 -0.43 0.00 0.00 46.19 44.93 1upb s LEU 554 CO 0.02 0.14 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.52 1upb s ILE 555 N -0.65 1.07 -0.16 6.68 1.01 0.38 -1.74 121.20 127.78 1upb s ILE 555 Ca 0.05 -0.34 -0.18 0.00 0.00 0.00 0.00 60.65 60.19 1upb s ILE 555 Cb -0.08 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 1upb s ILE 555 CO 0.01 0.36 0.46 -0.70 0.00 0.00 0.00 174.94 175.07 1upb s GLU 556 N 1.69 4.25 -0.20 2.79 2.12 -0.73 -0.53 118.70 128.09 1upb s GLU 556 Ca 0.05 0.37 -0.00 0.00 0.36 0.00 0.00 54.97 55.74 1upb s GLU 556 Cb -0.13 -3.50 0.01 0.00 0.26 0.00 0.00 34.13 30.78 1upb s GLU 556 CO -0.08 0.02 -0.15 0.08 -0.54 0.00 0.00 175.26 174.59 1upb s VAL 557 N 1.08 2.44 0.20 3.70 1.01 -0.24 -1.14 120.40 127.45 1upb s VAL 557 Ca 0.23 -0.85 -0.31 0.00 0.00 0.00 0.00 61.98 61.06 1upb s VAL 557 Cb -0.15 -2.07 -0.10 0.00 0.00 0.00 0.00 36.38 34.06 1upb s VAL 557 CO 0.09 0.48 1.51 -2.16 0.00 0.00 0.00 175.10 175.02 1upb s PRO 558 N 1.34 4.24 0.20 2.72 0.04 -1.26 -0.94 135.00 141.33 1upb s PRO 558 Ca 0.05 2.33 0.02 0.00 0.04 0.00 0.00 61.00 63.44 1upb s PRO 558 Cb -0.14 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 1upb s PRO 558 CO -0.10 -0.52 0.01 0.14 0.04 0.00 0.00 177.00 176.56 1upb s VAL 559 N 0.62 0.82 0.04 -0.36 -7.23 -0.57 -1.25 120.40 112.46 1upb s VAL 559 Ca 0.65 -2.01 -0.07 0.00 -1.81 0.00 0.00 61.98 58.74 1upb s VAL 559 Cb -0.43 -2.24 -0.00 0.00 0.56 0.00 0.00 36.38 34.26 1upb s VAL 559 CO 0.37 -0.38 0.15 0.20 -0.31 0.00 0.00 175.10 175.12 1upb s ASN 560 N -3.24 0.10 -0.14 4.85 -0.87 -1.18 -4.20 114.94 110.26 1upb s ASN 560 Ca 0.27 -0.42 -0.02 0.00 -1.57 0.00 0.00 52.86 51.11 1upb s ASN 560 Cb 0.06 0.25 -0.08 0.00 -0.02 0.00 0.00 41.25 41.46 1upb s ASN 560 CO 0.07 -0.52 -0.15 -1.22 -2.57 0.00 0.00 177.10 172.71 1upb n TYR 561 N 0.80 0.00 -2.94 2.20 4.01 -1.26 -4.69 117.16 115.28 1upb n TYR 561 Ca -0.19 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.53 1upb n TYR 561 Cb 0.58 -0.53 -0.01 0.00 -0.31 0.00 0.00 39.34 39.07 1upb n TYR 561 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1upb n ASP 562 N -3.16 -5.57 -0.39 7.72 5.68 -1.26 -5.12 116.55 114.44 1upb n ASP 562 Ca -0.26 1.01 0.14 0.00 -0.50 0.00 0.00 54.79 55.18 1upb n ASP 562 Cb 0.74 -2.93 0.61 0.00 -1.14 0.00 0.00 41.12 38.39 1upb n ASP 562 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36