#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yrr s TYR 2 N 0.00 1.07 -0.01 3.17 -0.85 -0.57 -4.60 117.35 115.56 1yrr s TYR 2 Ca 0.00 -1.32 0.05 0.00 -0.52 0.00 0.00 57.07 55.28 1yrr s TYR 2 Cb 0.00 -0.51 -0.01 0.00 0.38 0.00 0.00 41.96 41.82 1yrr s TYR 2 CO 0.00 -0.64 -0.16 0.00 -1.52 0.00 0.00 175.55 173.23 1yrr s ALA 3 N -4.13 1.34 -0.23 9.51 0.00 -0.72 -0.41 121.76 127.12 1yrr s ALA 3 Ca 0.36 -0.69 -0.12 0.00 0.00 0.00 0.00 51.96 51.51 1yrr s ALA 3 Cb 0.07 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 1yrr s ALA 3 CO 0.10 0.32 0.22 -0.51 0.00 0.00 0.00 175.76 175.89 1yrr s LEU 4 N -0.36 4.14 0.27 0.00 1.43 -0.41 -0.65 118.68 123.10 1yrr s LEU 4 Ca 0.06 0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 1yrr s LEU 4 Cb -0.06 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 1yrr s LEU 4 CO -0.01 0.04 0.19 0.42 0.23 0.00 0.00 176.35 177.23 1yrr s THR 5 N 1.04 0.09 -0.81 5.49 -4.23 -1.08 -1.86 115.64 114.28 1yrr s THR 5 Ca 0.11 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.58 1yrr s THR 5 Cb -0.14 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.21 1yrr s THR 5 CO 0.05 0.00 0.70 0.00 -0.54 0.00 0.00 174.62 174.83 1yrr n GLN 6 N -0.48 -4.71 -3.82 3.99 6.02 -1.26 0.41 117.38 117.52 1yrr n GLN 6 Ca 0.04 0.52 -0.08 0.00 -0.01 0.00 0.00 57.00 57.47 1yrr n GLN 6 Cb 0.64 -4.60 0.01 0.00 1.02 0.00 0.00 30.24 27.32 1yrr n GLN 6 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1yrr s GLY 7 N -3.39 0.21 -0.18 1.08 0.00 -1.26 -1.16 107.32 102.62 1yrr s GLY 7 Ca 0.26 -0.58 -0.27 0.00 0.00 0.00 0.00 44.72 44.13 1yrr s GLY 7 CO 0.45 -0.03 0.93 -1.60 0.00 0.00 0.00 173.10 172.85 1yrr s ARG 8 N -2.73 4.30 -0.24 2.90 3.52 -0.87 -4.60 118.95 121.23 1yrr s ARG 8 Ca 0.15 1.18 -0.10 0.00 -0.13 0.00 0.00 55.73 56.83 1yrr s ARG 8 Cb -0.05 -3.60 -0.05 0.00 -1.56 0.00 0.00 34.95 29.70 1yrr s ARG 8 CO 0.09 -0.44 0.15 0.42 -0.81 0.00 0.00 175.30 174.72 1yrr s ILE 9 N 2.51 5.23 -0.29 4.11 1.01 -0.46 -0.96 121.20 132.35 1yrr s ILE 9 Ca 0.42 0.14 -0.09 0.00 0.00 0.00 0.00 60.65 61.11 1yrr s ILE 9 Cb -0.16 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 1yrr s ILE 9 CO 0.11 0.34 0.13 0.12 0.00 0.00 0.00 174.94 175.64 1yrr s PHE 10 N 1.15 3.16 -0.36 3.97 5.36 0.44 -0.38 117.98 131.31 1yrr s PHE 10 Ca 0.07 -0.45 0.23 0.00 -0.96 0.00 0.00 56.93 55.82 1yrr s PHE 10 Cb -0.14 -2.32 0.14 0.00 -0.34 0.00 0.00 43.02 40.36 1yrr s PHE 10 CO 0.05 -0.39 1.21 1.79 -1.46 0.00 0.00 175.22 176.42 1yrr h THR 11 N 5.59 0.00 0.00 0.12 1.35 -1.59 -3.38 112.91 115.00 1yrr h THR 11 Ca -0.34 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 1yrr h THR 11 Cb 1.16 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1yrr h THR 11 CO 0.60 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 1yrr n GLY 12 N 1.20 2.77 0.00 5.82 0.00 -1.26 -0.35 105.19 113.37 1yrr n GLY 12 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1yrr n GLY 12 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1yrr n HIS 13 N -0.87 0.00 -3.63 1.61 8.25 -1.26 -4.90 115.22 114.42 1yrr n HIS 13 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1yrr n HIS 13 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1yrr n HIS 13 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1yrr s GLU 14 N -1.98 1.44 0.01 -0.41 -1.05 -1.26 -5.15 118.70 110.29 1yrr s GLU 14 Ca 0.00 -0.72 -0.15 0.00 -0.15 0.00 0.00 54.97 53.94 1yrr s GLU 14 Cb 0.00 0.57 -0.06 0.00 -0.44 0.00 0.00 34.13 34.20 1yrr s GLU 14 CO 0.00 -0.63 0.43 -0.06 0.95 0.00 0.00 175.26 175.95 1yrr s PHE 15 N -3.83 3.74 -0.09 4.83 0.08 -1.26 -1.63 117.98 119.81 1yrr s PHE 15 Ca 0.06 1.02 0.04 0.00 0.12 0.00 0.00 56.93 58.17 1yrr s PHE 15 Cb -0.02 -2.31 0.00 0.00 -0.57 0.00 0.00 43.02 40.12 1yrr s PHE 15 CO -0.05 0.64 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.99 1yrr s LEU 16 N -1.11 1.98 0.10 -0.37 1.43 0.49 -4.95 118.68 116.25 1yrr s LEU 16 Ca 0.25 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1yrr s LEU 16 Cb -0.17 -1.26 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 1yrr s LEU 16 CO 0.14 0.12 0.31 -1.81 0.23 0.00 0.00 176.35 175.34 1yrr s ASP 17 N 0.44 6.44 -1.46 2.29 1.01 -1.26 -1.35 116.67 122.77 1yrr s ASP 17 Ca -0.17 0.47 -0.08 0.00 0.71 0.00 0.00 52.55 53.47 1yrr s ASP 17 Cb -0.17 -2.04 0.03 0.00 1.01 0.00 0.00 42.92 41.75 1yrr s ASP 17 CO 0.07 0.11 0.82 -0.67 0.21 0.00 0.00 175.17 175.71 1yrr n ASP 18 N 0.22 -5.62 -4.31 0.27 4.64 -1.26 -4.93 116.55 105.56 1yrr n ASP 18 Ca -0.04 -0.46 -0.29 0.00 -1.38 0.00 0.00 54.79 52.62 1yrr n ASP 18 Cb 0.51 -4.50 -0.06 0.00 -1.04 0.00 0.00 41.12 36.03 1yrr n ASP 18 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 1yrr n HIS 19 N -4.60 0.91 -3.87 -0.67 8.25 -1.26 -1.62 115.22 112.35 1yrr n HIS 19 Ca -0.04 -2.32 -0.11 0.00 -0.26 0.00 0.00 57.72 55.00 1yrr n HIS 19 Cb 0.57 -0.25 -0.10 0.00 1.12 0.00 0.00 29.99 31.33 1yrr n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yrr s ALA 20 N -2.84 -0.33 -0.25 -1.41 0.00 0.20 -4.36 121.76 112.77 1yrr s ALA 20 Ca 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.90 1yrr s ALA 20 Cb 0.00 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.21 1yrr s ALA 20 CO 0.02 -0.19 -0.04 0.08 0.00 0.00 0.00 175.76 175.63 1yrr s VAL 21 N -1.21 3.01 -0.13 0.00 1.01 -0.78 -1.03 120.40 121.27 1yrr s VAL 21 Ca -0.13 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 60.68 1yrr s VAL 21 Cb -0.07 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1yrr s VAL 21 CO 0.01 0.18 0.47 -0.69 0.00 0.00 0.00 175.10 175.07 1yrr s VAL 22 N 1.35 5.19 -0.09 2.92 1.01 0.49 -1.29 120.40 129.98 1yrr s VAL 22 Ca 0.00 0.92 0.04 0.00 0.00 0.00 0.00 61.98 62.94 1yrr s VAL 22 Cb -0.17 -3.80 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 1yrr s VAL 22 CO -0.04 0.31 -0.23 -0.63 0.00 0.00 0.00 175.10 174.52 1yrr s ILE 23 N 0.72 1.98 -0.15 2.22 1.01 0.45 0.15 121.20 127.59 1yrr s ILE 23 Ca 0.25 -0.98 -0.13 0.00 0.00 0.00 0.00 60.65 59.78 1yrr s ILE 23 Cb -0.15 -1.71 0.04 0.00 0.01 0.00 0.00 42.46 40.65 1yrr s ILE 23 CO 0.10 0.54 0.39 0.00 0.00 0.00 0.00 174.94 175.97 1yrr s ALA 24 N 0.28 -0.97 -1.51 9.38 0.00 -0.52 -1.51 121.76 126.93 1yrr s ALA 24 Ca -0.16 1.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.79 1yrr s ALA 24 Cb -0.17 -0.65 0.09 0.00 0.00 0.00 0.00 23.12 22.38 1yrr s ALA 24 CO 0.08 -0.19 0.83 -0.25 0.00 0.00 0.00 175.76 176.23 1yrr n ASP 25 N 2.95 -4.53 0.00 0.00 8.00 -1.26 -1.54 116.55 120.17 1yrr n ASP 25 Ca -0.14 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.67 1yrr n ASP 25 Cb 0.57 -3.65 0.00 0.00 -0.02 0.00 0.00 41.12 38.02 1yrr n ASP 25 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yrr n GLY 26 N -1.54 0.52 3.33 0.44 0.00 -1.26 -5.02 105.19 101.67 1yrr n GLY 26 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 1yrr n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yrr s LEU 27 N 0.00 2.45 -0.33 0.99 1.43 -0.59 -1.36 118.68 121.28 1yrr s LEU 27 Ca 0.00 -0.88 -0.29 0.00 -1.03 0.00 0.00 54.13 51.93 1yrr s LEU 27 Cb 0.00 -0.81 0.00 0.00 0.03 0.00 0.00 46.19 45.41 1yrr s LEU 27 CO 0.00 -0.05 1.36 -0.63 0.23 0.00 0.00 176.35 177.26 1yrr s ILE 28 N -2.13 4.03 -0.02 -0.59 1.01 0.11 -1.44 121.20 122.17 1yrr s ILE 28 Ca 0.16 1.13 -0.19 0.00 0.00 0.00 0.00 60.65 61.76 1yrr s ILE 28 Cb -0.05 -4.14 -0.33 0.00 0.01 0.00 0.00 42.46 37.95 1yrr s ILE 28 CO 0.07 -0.55 0.91 0.50 0.00 0.00 0.00 174.94 175.86 1yrr h LYS 29 N 9.84 0.40 -3.05 2.79 3.64 -0.60 0.32 116.57 129.91 1yrr h LYS 29 Ca -0.27 -0.69 -0.01 0.00 -1.27 0.00 0.00 60.65 58.41 1yrr h LYS 29 Cb 1.10 0.26 -0.11 0.00 -0.41 0.00 0.00 32.23 33.07 1yrr h LYS 29 CO 1.05 1.33 0.18 -1.54 -2.27 0.00 0.00 179.45 178.20 1yrr s SER 30 N -7.25 -0.49 -0.15 4.20 1.04 -1.19 -4.57 113.70 105.29 1yrr s SER 30 Ca -0.12 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.20 1yrr s SER 30 Cb 0.03 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.77 1yrr s SER 30 CO 0.88 -1.01 -0.17 -0.69 0.98 0.00 0.00 173.24 173.23 1yrr s VAL 31 N -3.78 1.77 0.14 5.02 1.01 -1.26 -0.38 120.40 122.92 1yrr s VAL 31 Ca 0.03 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 1yrr s VAL 31 Cb -0.01 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.79 1yrr s VAL 31 CO -0.10 0.49 0.43 0.00 0.00 0.00 0.00 175.10 175.92 1yrr n PRO 33 N -0.25 0.88 -0.30 0.00 -0.02 -1.26 0.59 135.00 134.64 1yrr n PRO 33 Ca -0.15 0.32 0.07 0.00 -2.02 0.00 0.00 63.50 61.71 1yrr n PRO 33 Cb 0.64 -1.73 0.14 0.00 -0.02 0.00 0.00 33.50 32.53 1yrr n PRO 33 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1yrr n VAL 34 N -0.69 -0.36 0.41 -1.45 0.31 -0.64 -1.23 118.33 114.68 1yrr n VAL 34 Ca 0.11 1.93 0.10 0.00 -0.01 0.00 0.00 64.34 66.47 1yrr n VAL 34 Cb 0.39 -2.70 0.43 0.00 -0.91 0.00 0.00 33.84 31.05 1yrr n VAL 34 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yrr n ALA 35 N -3.60 1.63 0.79 3.52 0.00 -1.26 -1.85 120.51 119.73 1yrr n ALA 35 Ca 0.15 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.75 1yrr n ALA 35 Cb 0.47 -1.33 0.16 0.00 0.00 0.00 0.00 19.45 18.75 1yrr n ALA 35 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1yrr n GLU 36 N -1.99 2.36 -1.79 0.00 1.02 -0.36 -4.94 120.64 114.93 1yrr n GLU 36 Ca 0.02 -2.00 -0.41 0.00 -0.02 0.00 0.00 57.16 54.75 1yrr n GLU 36 Cb 0.20 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.13 1yrr n GLU 36 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1yrr s LEU 37 N -1.81 4.34 0.17 -4.62 1.02 -0.77 -4.97 118.68 112.03 1yrr s LEU 37 Ca 0.32 2.97 -0.33 0.00 0.02 0.00 0.00 54.13 57.11 1yrr s LEU 37 Cb 0.21 -3.64 -0.16 0.00 0.02 0.00 0.00 46.19 42.62 1yrr s LEU 37 CO 0.31 -0.89 1.19 -2.65 0.02 0.00 0.00 176.35 174.32 1yrr n PRO 38 N 1.67 1.19 -1.67 1.29 -0.02 -1.26 -4.91 135.00 131.29 1yrr n PRO 38 Ca 0.06 0.43 -0.54 0.00 -2.02 0.00 0.00 63.50 61.43 1yrr n PRO 38 Cb 0.38 -1.94 -0.06 0.00 -0.02 0.00 0.00 33.50 31.86 1yrr n PRO 38 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1yrr n PRO 39 N 1.84 1.43 -1.30 0.52 -0.02 -1.26 -2.42 135.00 133.79 1yrr n PRO 39 Ca 0.15 0.52 -0.12 0.00 -2.02 0.00 0.00 63.50 62.03 1yrr n PRO 39 Cb 0.24 -2.23 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 1yrr n PRO 39 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1yrr n GLU 40 N 4.78 -1.53 -1.50 -0.52 1.02 -1.26 -4.99 120.64 116.64 1yrr n GLU 40 Ca 0.23 0.83 -0.39 0.00 -0.02 0.00 0.00 57.16 57.81 1yrr n GLU 40 Cb 0.19 -5.08 0.03 0.00 -0.02 0.00 0.00 31.44 26.56 1yrr n GLU 40 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1yrr n ILE 41 N -1.97 2.38 -2.36 -3.67 3.06 -1.01 -4.91 119.36 110.88 1yrr n ILE 41 Ca -0.12 -0.50 -0.43 0.00 -2.50 0.00 0.00 62.75 59.20 1yrr n ILE 41 Cb 0.51 -0.77 -0.02 0.00 0.54 0.00 0.00 39.64 39.89 1yrr n ILE 41 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 1yrr s GLU 42 N -2.07 4.25 -0.05 9.51 2.12 -1.26 -4.98 118.70 126.23 1yrr s GLU 42 Ca 0.68 1.76 -0.15 0.00 0.36 0.00 0.00 54.97 57.61 1yrr s GLU 42 Cb -0.48 -3.73 -0.05 0.00 0.26 0.00 0.00 34.13 30.13 1yrr s GLU 42 CO 0.54 -0.66 0.41 -0.65 -0.54 0.00 0.00 175.26 174.36 1yrr s GLN 43 N 3.20 4.06 -0.21 4.30 -0.21 -1.26 -1.76 119.66 127.78 1yrr s GLN 43 Ca 0.58 0.38 0.01 0.00 0.02 0.00 0.00 55.36 56.35 1yrr s GLN 43 Cb -0.25 -3.30 0.04 0.00 1.00 0.00 0.00 33.01 30.51 1yrr s GLN 43 CO 0.19 0.51 -0.13 1.03 -2.12 0.00 0.00 175.29 174.77 1yrr s ARG 44 N -0.49 2.32 0.34 2.91 1.81 0.17 -4.97 118.95 121.05 1yrr s ARG 44 Ca 0.23 -0.95 -0.28 0.00 -1.72 0.00 0.00 55.73 53.01 1yrr s ARG 44 Cb -0.16 -2.56 -0.09 0.00 -0.45 0.00 0.00 34.95 31.69 1yrr s ARG 44 CO 0.11 -0.40 1.19 0.45 -0.68 0.00 0.00 175.30 175.97 1yrr s SER 45 N 1.30 6.84 0.12 0.23 0.15 -1.26 -2.63 113.70 118.46 1yrr s SER 45 Ca -0.01 2.43 0.25 0.00 0.70 0.00 0.00 55.95 59.32 1yrr s SER 45 Cb -0.16 -2.63 0.55 0.00 -1.71 0.00 0.00 66.02 62.07 1yrr s SER 45 CO -0.09 -0.46 1.50 0.18 1.20 0.00 0.00 173.24 175.57 1yrr n LEU 46 N 0.66 0.66 -3.65 3.45 4.77 0.17 -4.87 117.00 118.18 1yrr n LEU 46 Ca 0.01 0.31 -0.25 0.00 -0.03 0.00 0.00 56.01 56.05 1yrr n LEU 46 Cb 0.44 -0.25 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1yrr n LEU 46 CO 0.54 -0.06 0.21 0.59 -1.33 0.00 0.00 177.39 177.34 1yrr n ASN 47 N -2.04 -6.06 0.00 -1.43 3.02 -1.03 -1.62 115.26 106.10 1yrr n ASN 47 Ca 0.04 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 1yrr n ASN 47 Cb 0.42 -4.78 0.00 0.00 -0.61 0.00 0.00 39.78 34.81 1yrr n ASN 47 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yrr n GLY 48 N -1.93 0.73 3.77 7.41 0.00 -0.31 -5.02 105.19 109.85 1yrr n GLY 48 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1yrr n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yrr s ALA 49 N -3.07 2.30 -0.12 4.61 0.00 -0.64 -4.58 121.76 120.25 1yrr s ALA 49 Ca 0.00 0.27 -0.21 0.00 0.00 0.00 0.00 51.96 52.02 1yrr s ALA 49 Cb 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 1yrr s ALA 49 CO 0.00 -1.70 0.61 0.42 0.00 0.00 0.00 175.76 175.09 1yrr s ILE 50 N -2.88 5.09 -0.16 0.00 1.01 -0.38 -2.04 121.20 121.84 1yrr s ILE 50 Ca 0.61 1.21 -0.07 0.00 0.00 0.00 0.00 60.65 62.40 1yrr s ILE 50 Cb -0.17 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1yrr s ILE 50 CO 0.55 0.23 0.10 -0.22 0.00 0.00 0.00 174.94 175.60 1yrr s LEU 51 N 1.07 4.07 0.07 2.97 2.96 -0.14 -1.07 118.68 128.61 1yrr s LEU 51 Ca 0.31 0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.49 1yrr s LEU 51 Cb -0.16 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 1yrr s LEU 51 CO 0.13 0.27 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.81 1yrr s SER 52 N -0.21 1.03 0.52 3.68 0.15 0.55 -0.42 113.70 119.00 1yrr s SER 52 Ca 0.09 -0.80 -0.21 0.00 0.70 0.00 0.00 55.95 55.73 1yrr s SER 52 Cb -0.12 0.07 -0.08 0.00 -1.71 0.00 0.00 66.02 64.18 1yrr s SER 52 CO 0.01 -0.35 0.87 -2.65 1.20 0.00 0.00 173.24 172.33 1yrr n PRO 53 N 0.63 0.97 -1.82 5.44 -0.02 -1.26 -1.16 135.00 137.78 1yrr n PRO 53 Ca -0.17 0.36 -0.38 0.00 -2.02 0.00 0.00 63.50 61.29 1yrr n PRO 53 Cb 0.58 -2.00 0.03 0.00 -0.02 0.00 0.00 33.50 32.09 1yrr n PRO 53 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1yrr s GLY 54 N -1.04 2.89 0.47 -1.23 0.00 -0.28 -4.20 107.32 103.92 1yrr s GLY 54 Ca 0.69 1.33 -0.22 0.00 0.00 0.00 0.00 44.72 46.52 1yrr s GLY 54 CO 0.52 1.86 1.09 -1.36 0.00 0.00 0.00 173.10 175.21 1yrr s PHE 55 N -1.30 2.98 -0.19 1.90 0.08 -0.59 -4.66 117.98 116.20 1yrr s PHE 55 Ca 0.69 1.58 0.01 0.00 0.12 0.00 0.00 56.93 59.33 1yrr s PHE 55 Cb -0.40 -3.21 0.03 0.00 -0.57 0.00 0.00 43.02 38.87 1yrr s PHE 55 CO 0.48 -1.10 -0.15 0.42 -0.10 0.00 0.00 175.22 174.78 1yrr s ILE 56 N -1.73 1.82 -0.40 0.64 1.01 -0.31 -1.51 121.20 120.72 1yrr s ILE 56 Ca 0.65 -0.96 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 1yrr s ILE 56 Cb -0.23 -1.76 0.09 0.00 0.01 0.00 0.00 42.46 40.57 1yrr s ILE 56 CO 0.27 0.35 0.21 -0.62 0.00 0.00 0.00 174.94 175.15 1yrr s ASP 57 N 1.35 5.41 0.00 3.58 2.15 -0.32 -4.74 116.67 124.10 1yrr s ASP 57 Ca 0.02 -1.65 0.13 0.00 0.43 0.00 0.00 52.55 51.48 1yrr s ASP 57 Cb -0.15 -1.90 0.47 0.00 -0.30 0.00 0.00 42.92 41.05 1yrr s ASP 57 CO -0.10 -0.50 1.35 1.33 -0.17 0.00 0.00 175.17 177.08 1yrr n VAL 58 N 4.77 0.30 -3.38 1.11 0.24 -1.26 -2.00 118.33 118.10 1yrr n VAL 58 Ca -0.08 -0.34 -0.12 0.00 -2.04 0.00 0.00 64.34 61.76 1yrr n VAL 58 Cb 0.42 0.21 -0.09 0.00 -1.47 0.00 0.00 33.84 32.91 1yrr n VAL 58 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1yrr s GLN 59 N -1.70 0.32 -0.18 7.34 0.74 -1.26 -4.66 119.66 120.25 1yrr s GLN 59 Ca 0.24 0.30 -0.06 0.00 0.05 0.00 0.00 55.36 55.88 1yrr s GLN 59 Cb 0.12 -0.63 0.08 0.00 1.10 0.00 0.00 33.01 33.69 1yrr s GLN 59 CO 0.18 -0.76 0.39 -1.17 -0.55 0.00 0.00 175.29 173.37 1yrr s LEU 60 N 2.47 -0.56 -0.07 3.68 2.96 -1.24 -0.48 118.68 125.43 1yrr s LEU 60 Ca 0.11 0.91 0.16 0.00 -0.22 0.00 0.00 54.13 55.08 1yrr s LEU 60 Cb -0.15 1.21 -0.22 0.00 0.50 0.00 0.00 46.19 47.53 1yrr s LEU 60 CO -0.20 -0.23 0.49 0.59 -1.32 0.00 0.00 176.35 175.68 1yrr n ASN 61 N 5.35 0.54 0.00 3.68 3.02 -0.34 -0.64 115.26 126.88 1yrr n ASN 61 Ca -0.08 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1yrr n ASN 61 Cb 0.50 0.42 0.00 0.00 -0.61 0.00 0.00 39.78 40.09 1yrr n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yrr n GLY 62 N 1.58 0.80 3.61 7.41 0.00 -0.93 -1.28 105.19 116.37 1yrr n GLY 62 Ca -0.20 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1yrr n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yrr n GLY 64 N -0.38 -0.12 2.10 0.00 0.00 0.12 -1.74 105.19 105.17 1yrr n GLY 64 Ca -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1yrr n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yrr n GLY 65 N -0.97 0.81 3.37 -0.02 0.00 0.28 -4.91 105.19 103.74 1yrr n GLY 65 Ca -0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 1yrr n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yrr s VAL 66 N -3.09 1.60 -0.00 1.61 -7.23 -0.71 -4.96 120.40 107.62 1yrr s VAL 66 Ca 0.00 -2.16 0.02 0.00 -1.81 0.00 0.00 61.98 58.03 1yrr s VAL 66 Cb 0.00 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.74 1yrr s VAL 66 CO 0.00 -0.48 -0.06 -1.10 -0.31 0.00 0.00 175.10 173.15 1yrr s GLN 67 N -3.70 0.51 -1.36 4.82 -1.52 -1.26 -1.08 119.66 116.08 1yrr s GLN 67 Ca 0.25 -0.26 -0.07 0.00 -1.95 0.00 0.00 55.36 53.33 1yrr s GLN 67 Cb 0.02 -0.49 0.10 0.00 -0.22 0.00 0.00 33.01 32.42 1yrr s GLN 67 CO 0.08 0.13 2.38 0.34 -0.25 0.00 0.00 175.29 177.98 1yrr n PHE 68 N 2.83 2.63 -3.65 0.91 7.35 -0.41 -4.62 117.46 122.52 1yrr n PHE 68 Ca -0.14 -2.85 -0.07 0.00 -0.76 0.00 0.00 57.45 53.64 1yrr n PHE 68 Cb 0.58 -1.94 -0.02 0.00 0.35 0.00 0.00 39.48 38.45 1yrr n PHE 68 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1yrr s ASN 69 N 0.69 -0.30 0.00 -2.13 0.01 -1.26 -4.29 114.94 107.65 1yrr s ASN 69 Ca 0.54 -0.25 0.00 0.00 -0.71 0.00 0.00 52.86 52.43 1yrr s ASN 69 Cb 0.17 0.50 0.00 0.00 0.41 0.00 0.00 41.25 42.33 1yrr s ASN 69 CO -0.08 -0.88 0.00 0.47 -1.51 0.00 0.00 177.10 175.10 1yrr n ASP 70 N -0.39 0.00 -4.20 -1.22 8.00 -1.26 -4.63 116.55 112.85 1yrr n ASP 70 Ca -0.08 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.26 1yrr n ASP 70 Cb 0.61 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.60 1yrr n ASP 70 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1yrr s THR 71 N 0.00 1.07 0.25 -3.53 -4.23 -1.26 -5.04 115.64 102.90 1yrr s THR 71 Ca 0.00 -1.67 -0.04 0.00 -1.18 0.00 0.00 61.69 58.80 1yrr s THR 71 Cb 0.00 -1.42 0.25 0.00 1.34 0.00 0.00 72.50 72.66 1yrr s THR 71 CO 0.00 -0.52 1.88 0.00 -0.54 0.00 0.00 174.62 175.44 1yrr h ALA 72 N 3.53 1.30 0.00 3.99 0.00 -1.92 -2.02 119.26 124.14 1yrr h ALA 72 Ca -0.38 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 1yrr h ALA 72 Cb 1.19 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1yrr h ALA 72 CO 0.52 0.42 -0.37 1.05 0.00 0.00 0.00 179.25 180.88 1yrr h GLU 73 N 1.14 0.00 0.00 0.00 -0.00 -1.96 -3.07 114.58 110.69 1yrr h GLU 73 Ca 0.40 0.00 -0.15 0.00 -0.00 0.00 0.00 59.36 59.62 1yrr h GLU 73 Cb 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 28.84 1yrr h GLU 73 CO -0.16 0.37 -0.70 0.00 -0.00 0.00 0.00 179.01 178.52 1yrr h ALA 74 N 1.63 0.55 -1.40 1.06 0.00 -1.67 -3.39 119.26 116.04 1yrr h ALA 74 Ca -0.00 -0.63 -0.72 0.00 0.00 0.00 0.00 54.91 53.55 1yrr h ALA 74 Cb 0.66 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.20 1yrr h ALA 74 CO 0.05 0.86 1.65 0.28 0.00 0.00 0.00 179.25 182.09 1yrr n VAL 75 N -3.27 4.16 -4.04 0.00 0.31 -0.89 -4.58 118.33 110.02 1yrr n VAL 75 Ca 0.01 -4.52 -0.09 0.00 -0.01 0.00 0.00 64.34 59.73 1yrr n VAL 75 Cb 0.81 -2.43 -0.09 0.00 -0.91 0.00 0.00 33.84 31.22 1yrr n VAL 75 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1yrr s SER 76 N 3.22 0.29 0.24 4.52 1.04 -1.26 -4.83 113.70 116.91 1yrr s SER 76 Ca 0.46 -0.98 -0.05 0.00 0.48 0.00 0.00 55.95 55.86 1yrr s SER 76 Cb -0.00 0.30 0.25 0.00 0.10 0.00 0.00 66.02 66.66 1yrr s SER 76 CO 0.03 -0.72 1.75 0.58 0.98 0.00 0.00 173.24 175.86 1yrr h VAL 77 N 2.88 1.25 -0.77 5.02 2.07 -1.90 -2.56 116.25 122.24 1yrr h VAL 77 Ca -0.34 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1yrr h VAL 77 Cb 1.19 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1yrr h VAL 77 CO 0.59 0.36 0.48 -0.08 0.02 0.00 0.00 177.57 178.94 1yrr h GLU 78 N 0.90 1.04 -0.51 1.57 4.81 -1.96 -1.41 114.58 119.03 1yrr h GLU 78 Ca 0.18 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1yrr h GLU 78 Cb 0.39 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 1yrr h GLU 78 CO 0.01 0.72 0.29 1.15 -0.73 0.00 0.00 179.01 180.45 1yrr h THR 79 N 1.05 1.03 -0.44 0.32 2.02 -1.73 -0.68 112.91 114.49 1yrr h THR 79 Ca 0.28 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 1yrr h THR 79 Cb -0.07 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1yrr h THR 79 CO -0.06 0.11 0.14 -0.07 0.37 0.00 0.00 175.52 176.01 1yrr h LEU 80 N 0.58 0.58 -0.29 2.58 3.38 -1.07 -0.95 115.31 120.12 1yrr h LEU 80 Ca 0.21 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1yrr h LEU 80 Cb 0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1yrr h LEU 80 CO -0.10 0.55 -0.22 -0.33 0.09 0.00 0.00 178.44 178.42 1yrr h GLU 81 N 0.62 0.67 -0.66 1.13 5.08 -0.65 -1.20 114.58 119.57 1yrr h GLU 81 Ca 0.15 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1yrr h GLU 81 Cb 0.18 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1yrr h GLU 81 CO -0.01 0.93 0.42 0.82 -1.00 0.00 0.00 179.01 180.17 1yrr h ILE 82 N 0.41 1.18 -0.43 3.13 2.04 -0.79 -1.77 117.51 121.27 1yrr h ILE 82 Ca 0.05 -0.34 -0.13 0.00 1.00 0.00 0.00 64.86 65.44 1yrr h ILE 82 Cb 0.77 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1yrr h ILE 82 CO 0.06 0.17 -0.23 0.24 0.00 0.00 0.00 178.15 178.39 1yrr h MET 83 N 0.89 0.91 -0.47 2.37 2.86 -1.07 -1.34 114.93 119.08 1yrr h MET 83 Ca 0.24 -0.41 0.07 0.00 -2.06 0.00 0.00 59.70 57.54 1yrr h MET 83 Cb -0.08 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.50 1yrr h MET 83 CO -0.05 1.07 0.12 0.37 1.06 0.00 0.00 176.91 179.48 1yrr h GLN 84 N 0.74 0.26 -0.45 1.72 5.75 -1.02 -0.57 115.11 121.52 1yrr h GLN 84 Ca 0.09 -0.02 -0.11 0.00 -0.15 0.00 0.00 58.65 58.47 1yrr h GLN 84 Cb 0.81 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.28 1yrr h GLN 84 CO 0.07 0.17 -0.16 0.87 -2.65 0.00 0.00 178.83 177.13 1yrr h LYS 85 N 0.27 0.87 -0.38 1.69 1.79 -1.04 -1.67 116.57 118.10 1yrr h LYS 85 Ca 0.23 -0.33 -0.08 0.00 -2.18 0.00 0.00 60.65 58.30 1yrr h LYS 85 Cb 0.28 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1yrr h LYS 85 CO -0.28 0.96 -0.06 0.00 -1.08 0.00 0.00 179.45 178.99 1yrr h ALA 86 N 1.05 0.52 -0.62 3.86 0.00 -1.10 -3.07 119.26 119.91 1yrr h ALA 86 Ca 0.12 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1yrr h ALA 86 Cb 0.68 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1yrr h ALA 86 CO 0.05 0.36 0.36 -0.91 0.00 0.00 0.00 179.25 179.11 1yrr h ASN 87 N 0.53 0.56 -0.99 0.00 2.35 -0.88 -1.74 115.58 115.41 1yrr h ASN 87 Ca 0.10 0.01 0.20 0.00 -0.55 0.00 0.00 56.30 56.07 1yrr h ASN 87 Cb 0.56 -0.10 -0.10 0.00 0.05 0.00 0.00 38.32 38.73 1yrr h ASN 87 CO 0.03 0.38 0.62 -0.33 -1.65 0.00 0.00 177.43 176.48 1yrr h GLU 88 N 0.69 0.63 0.00 0.81 5.08 -0.97 0.01 114.58 120.83 1yrr h GLU 88 Ca 0.26 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1yrr h GLU 88 Cb 0.09 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1yrr h GLU 88 CO -0.13 0.42 0.00 1.63 -1.00 0.00 0.00 179.01 179.92 1yrr n LYS 89 N -4.71 0.14 -0.39 2.33 5.02 -0.66 -1.63 118.16 118.26 1yrr n LYS 89 Ca 0.23 0.42 0.08 0.00 -2.02 0.00 0.00 58.31 57.02 1yrr n LYS 89 Cb 0.64 -1.79 0.17 0.00 -0.02 0.00 0.00 35.03 34.03 1yrr n LYS 89 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1yrr n SER 90 N -2.05 1.92 0.00 4.39 3.41 -0.11 -4.80 113.62 116.38 1yrr n SER 90 Ca 0.02 -3.42 0.00 0.00 -0.26 0.00 0.00 58.87 55.21 1yrr n SER 90 Cb 0.18 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1yrr n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yrr n GLY 91 N -1.17 0.83 3.53 5.00 0.00 -0.65 -2.59 105.19 110.15 1yrr n GLY 91 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1yrr n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yrr n THR 93 N 5.85 0.00 -3.84 0.00 -2.24 -0.57 -2.45 114.28 111.04 1yrr n THR 93 Ca -0.01 -0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.65 1yrr n THR 93 Cb 0.48 0.90 -0.12 0.00 -2.10 0.00 0.00 70.33 69.49 1yrr n THR 93 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1yrr s ASN 94 N -2.99 -0.10 0.20 3.42 -0.87 -1.02 -4.48 114.94 109.08 1yrr s ASN 94 Ca 0.09 0.17 -0.12 0.00 -1.57 0.00 0.00 52.86 51.42 1yrr s ASN 94 Cb 0.16 0.26 0.00 0.00 -0.02 0.00 0.00 41.25 41.66 1yrr s ASN 94 CO 0.84 -0.11 0.41 -0.72 -2.57 0.00 0.00 177.10 174.95 1yrr s TYR 95 N -0.22 0.24 -0.37 2.20 -0.85 -1.19 -1.17 117.35 115.99 1yrr s TYR 95 Ca -0.03 -0.60 -0.06 0.00 -0.52 0.00 0.00 57.07 55.86 1yrr s TYR 95 Cb -0.02 0.14 0.06 0.00 0.38 0.00 0.00 41.96 42.52 1yrr s TYR 95 CO 0.00 -0.86 0.16 -0.51 -1.52 0.00 0.00 175.55 172.83 1yrr s LEU 96 N -2.96 4.68 0.18 -3.49 1.43 -0.85 -0.70 118.68 116.99 1yrr s LEU 96 Ca 0.16 -1.40 -0.33 0.00 -1.03 0.00 0.00 54.13 51.53 1yrr s LEU 96 Cb 0.01 -1.89 -0.13 0.00 0.03 0.00 0.00 46.19 44.21 1yrr s LEU 96 CO 0.02 -0.42 1.58 -0.81 0.23 0.00 0.00 176.35 176.94 1yrr n PRO 97 N 4.80 2.24 -3.86 1.29 -0.04 -1.23 -3.70 135.00 134.50 1yrr n PRO 97 Ca -0.10 0.81 -0.36 0.00 -0.04 0.00 0.00 63.50 63.81 1yrr n PRO 97 Cb 0.43 -2.57 -0.13 0.00 -0.04 0.00 0.00 33.50 31.19 1yrr n PRO 97 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1yrr s THR 98 N 0.78 3.26 -0.35 0.52 2.01 0.19 -0.62 115.64 121.44 1yrr s THR 98 Ca 0.76 -1.26 -0.10 0.00 0.31 0.00 0.00 61.69 61.40 1yrr s THR 98 Cb -0.64 -2.85 0.02 0.00 0.01 0.00 0.00 72.50 69.04 1yrr s THR 98 CO 0.39 -0.11 0.18 -0.22 -0.69 0.00 0.00 174.62 174.17 1yrr s LEU 99 N 1.31 4.49 -0.27 4.42 2.96 -0.60 -4.41 118.68 126.59 1yrr s LEU 99 Ca -0.04 -0.90 -0.06 0.00 -0.22 0.00 0.00 54.13 52.91 1yrr s LEU 99 Cb -0.19 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.50 1yrr s LEU 99 CO 0.00 -0.33 0.05 -0.51 -1.32 0.00 0.00 176.35 174.24 1yrr s ILE 100 N 1.54 3.87 -0.08 6.68 2.07 -1.26 -1.99 121.20 132.04 1yrr s ILE 100 Ca 0.02 -0.54 -0.31 0.00 -1.41 0.00 0.00 60.65 58.41 1yrr s ILE 100 Cb -0.19 -2.90 0.12 0.00 0.13 0.00 0.00 42.46 39.61 1yrr s ILE 100 CO 0.06 0.22 0.99 0.28 -1.91 0.00 0.00 174.94 174.57 1yrr s THR 101 N 1.51 0.00 0.00 4.00 -1.32 -1.08 -4.77 115.64 113.98 1yrr s THR 101 Ca 0.04 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 1yrr s THR 101 Cb -0.16 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.83 1yrr s THR 101 CO 0.01 0.00 0.93 0.35 -2.21 0.00 0.00 174.62 173.70 1yrr n THR 102 N -0.07 0.86 -3.41 5.08 -2.24 -1.26 -4.00 114.28 109.24 1yrr n THR 102 Ca -0.07 -0.89 -0.38 0.00 -2.27 0.00 0.00 64.05 60.44 1yrr n THR 102 Cb 0.60 0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 69.34 1yrr n THR 102 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1yrr s SER 103 N -0.86 6.52 0.14 3.42 0.15 -1.26 -4.94 113.70 116.86 1yrr s SER 103 Ca 0.00 0.61 -0.12 0.00 0.70 0.00 0.00 55.95 57.14 1yrr s SER 103 Cb 0.00 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 62.04 1yrr s SER 103 CO 0.00 -0.00 1.48 0.44 1.20 0.00 0.00 173.24 176.36 1yrr h ASP 104 N 6.96 0.96 0.33 5.45 3.32 -1.99 -1.74 116.42 129.71 1yrr h ASP 104 Ca -0.39 -0.45 -0.16 0.00 0.02 0.00 0.00 57.03 56.06 1yrr h ASP 104 Cb 1.17 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 1yrr h ASP 104 CO 0.74 1.20 -0.64 1.05 -1.72 0.00 0.00 179.24 179.87 1yrr h GLU 105 N 0.72 0.29 -0.34 3.56 4.11 -1.99 -1.92 114.58 119.01 1yrr h GLU 105 Ca 0.07 -0.21 -0.13 0.00 0.07 0.00 0.00 59.36 59.16 1yrr h GLU 105 Cb 0.90 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1yrr h GLU 105 CO 0.08 0.83 -0.31 1.25 0.07 0.00 0.00 179.01 180.93 1yrr h LEU 106 N 0.21 0.85 -1.05 3.06 5.85 -1.96 -1.30 115.31 120.98 1yrr h LEU 106 Ca -0.01 -0.46 -0.05 0.00 0.84 0.00 0.00 57.88 58.20 1yrr h LEU 106 Cb 1.17 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1yrr h LEU 106 CO 0.10 1.14 0.16 -0.03 -0.34 0.00 0.00 178.44 179.47 1yrr h MET 107 N 0.58 0.84 -0.10 1.25 4.05 -1.15 0.38 114.93 120.78 1yrr h MET 107 Ca 0.06 -0.16 -0.18 0.00 -0.28 0.00 0.00 59.70 59.13 1yrr h MET 107 Cb 0.89 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.55 1yrr h MET 107 CO 0.08 0.74 -0.71 0.87 0.23 0.00 0.00 176.91 178.12 1yrr h LYS 108 N 0.81 0.46 -0.82 0.39 1.57 -1.26 -1.77 116.57 115.96 1yrr h LYS 108 Ca 0.18 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1yrr h LYS 108 Cb 0.26 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1yrr h LYS 108 CO -0.01 0.99 0.41 0.37 -0.57 0.00 0.00 179.45 180.65 1yrr h GLN 109 N 0.32 1.16 -0.43 3.15 4.15 -0.76 -1.71 115.11 120.98 1yrr h GLN 109 Ca -0.03 -0.15 -0.07 0.00 0.77 0.00 0.00 58.65 59.17 1yrr h GLN 109 Cb 1.28 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.74 1yrr h GLN 109 CO 0.13 0.87 -0.00 0.78 -1.93 0.00 0.00 178.83 178.68 1yrr h GLY 110 N 1.18 0.82 0.96 2.39 0.00 -0.68 0.18 103.07 107.92 1yrr h GLY 110 Ca 0.28 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1yrr h GLY 110 CO -0.04 0.55 0.17 -2.08 0.00 0.00 0.00 176.54 175.15 1yrr h VAL 111 N 0.59 1.21 -0.51 4.60 2.07 -1.15 0.34 116.25 123.41 1yrr h VAL 111 Ca 0.12 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 1yrr h VAL 111 Cb 0.49 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1yrr h VAL 111 CO 0.02 0.25 0.11 -0.09 0.02 0.00 0.00 177.57 177.88 1yrr h ARG 112 N 0.62 0.83 -0.57 1.57 2.43 -1.05 -1.97 114.38 116.25 1yrr h ARG 112 Ca 0.15 -0.21 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 1yrr h ARG 112 Cb 0.22 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1yrr h ARG 112 CO -0.01 0.80 -0.07 0.28 -1.51 0.00 0.00 179.97 179.47 1yrr h VAL 113 N 0.71 1.27 -0.77 0.20 2.07 -0.83 -1.99 116.25 116.90 1yrr h VAL 113 Ca 0.16 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1yrr h VAL 113 Cb 0.36 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1yrr h VAL 113 CO 0.00 0.44 0.50 -0.03 0.02 0.00 0.00 177.57 178.50 1yrr h MET 114 N 0.93 1.03 -0.31 1.57 1.85 -0.70 0.18 114.93 119.48 1yrr h MET 114 Ca 0.15 -0.07 -0.02 0.00 -0.61 0.00 0.00 59.70 59.15 1yrr h MET 114 Cb 0.64 -0.23 -0.01 0.00 0.43 0.00 0.00 31.60 32.43 1yrr h MET 114 CO 0.04 0.70 0.11 -0.09 -0.40 0.00 0.00 176.91 177.27 1yrr h ARG 115 N 1.05 0.47 -0.83 0.39 2.43 -1.20 0.15 114.38 116.84 1yrr h ARG 115 Ca 0.28 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1yrr h ARG 115 Cb -0.09 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.34 1yrr h ARG 115 CO -0.06 0.50 0.49 0.93 -1.51 0.00 0.00 179.97 180.32 1yrr h GLU 116 N 0.35 1.13 -0.24 0.20 5.08 -1.07 -2.49 114.58 117.54 1yrr h GLU 116 Ca 0.10 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1yrr h GLU 116 Cb 0.21 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1yrr h GLU 116 CO -0.01 0.80 0.04 -0.92 -1.00 0.00 0.00 179.01 177.92 1yrr h TYR 117 N 1.14 0.42 -0.40 4.33 3.20 -0.67 -3.04 116.97 121.95 1yrr h TYR 117 Ca 0.30 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 1yrr h TYR 117 Cb -0.03 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 1yrr h TYR 117 CO -0.00 0.52 0.22 -0.07 -1.64 0.00 0.00 178.16 177.19 1yrr h LEU 118 N 0.20 0.48 -1.93 2.82 3.38 -0.57 -0.91 115.31 118.77 1yrr h LEU 118 Ca 0.07 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1yrr h LEU 118 Cb 0.33 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1yrr h LEU 118 CO 0.00 0.39 -0.11 0.00 0.09 0.00 0.00 178.44 178.81 1yrr h ALA 119 N 1.69 1.49 0.00 1.53 0.00 -1.33 -3.12 119.26 119.52 1yrr h ALA 119 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1yrr h ALA 119 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1yrr h ALA 119 CO -0.02 0.14 -1.85 1.17 0.00 0.00 0.00 179.25 178.69 1yrr n LYS 120 N -3.94 0.60 -3.42 0.00 4.81 -0.75 -4.86 118.16 110.60 1yrr n LYS 120 Ca -0.02 -0.17 -0.28 0.00 -0.87 0.00 0.00 58.31 56.97 1yrr n LYS 120 Cb 0.21 -1.47 -0.11 0.00 0.02 0.00 0.00 35.03 33.67 1yrr n LYS 120 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1yrr s HIS 121 N -3.35 0.91 0.46 5.64 3.76 -0.42 -5.12 115.29 117.16 1yrr s HIS 121 Ca -0.06 -2.01 -0.17 0.00 -0.15 0.00 0.00 55.06 52.67 1yrr s HIS 121 Cb 0.13 -0.91 -0.09 0.00 1.11 0.00 0.00 32.58 32.83 1yrr s HIS 121 CO 0.83 -0.83 0.92 -1.25 -0.85 0.00 0.00 174.74 173.56 1yrr s PRO 122 N 0.51 4.01 -1.49 8.40 0.04 -1.26 -4.03 135.00 141.18 1yrr s PRO 122 Ca 0.26 0.91 -0.12 0.00 0.04 0.00 0.00 61.00 62.09 1yrr s PRO 122 Cb -0.08 -2.21 0.07 0.00 0.04 0.00 0.00 34.50 32.32 1yrr s PRO 122 CO -0.11 -0.13 1.00 0.09 0.04 0.00 0.00 177.00 177.89 1yrr n ASN 123 N -1.16 -4.76 0.00 6.66 3.02 -1.26 -4.92 115.26 112.84 1yrr n ASN 123 Ca 0.06 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 1yrr n ASN 123 Cb 0.54 -4.09 0.00 0.00 -0.61 0.00 0.00 39.78 35.62 1yrr n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yrr n GLN 124 N -4.71 0.00 -2.07 3.52 6.02 -1.26 -4.82 117.38 114.06 1yrr n GLN 124 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.58 1yrr n GLN 124 Cb 0.54 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.78 1yrr n GLN 124 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yrr s ALA 125 N -2.00 3.63 -0.01 -1.58 0.00 -1.26 -3.15 121.76 117.38 1yrr s ALA 125 Ca 0.00 0.95 0.09 0.00 0.00 0.00 0.00 51.96 53.00 1yrr s ALA 125 Cb 0.00 -3.69 -0.23 0.00 0.00 0.00 0.00 23.12 19.20 1yrr s ALA 125 CO 0.00 -1.19 0.78 -0.07 0.00 0.00 0.00 175.76 175.28 1yrr h LEU 126 N 9.33 0.06 0.00 0.00 3.38 -1.30 -3.47 115.31 123.30 1yrr h LEU 126 Ca -0.39 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1yrr h LEU 126 Cb 1.18 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1yrr h LEU 126 CO 0.94 1.09 0.00 0.61 0.09 0.00 0.00 178.44 181.17 1yrr n GLY 127 N 1.55 1.17 3.78 0.83 0.00 -1.26 -4.92 105.19 106.33 1yrr n GLY 127 Ca -0.14 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 1yrr n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yrr s LEU 128 N 0.00 4.44 -0.38 0.99 1.43 -0.28 -3.49 118.68 121.40 1yrr s LEU 128 Ca 0.00 1.78 -0.07 0.00 -1.03 0.00 0.00 54.13 54.81 1yrr s LEU 128 Cb 0.00 -3.78 0.07 0.00 0.03 0.00 0.00 46.19 42.51 1yrr s LEU 128 CO 0.00 0.03 0.18 -2.28 0.23 0.00 0.00 176.35 174.51 1yrr s HIS 129 N -1.45 3.34 -0.16 0.29 5.65 0.21 -0.81 115.29 122.37 1yrr s HIS 129 Ca 0.45 -1.65 -0.16 0.00 0.25 0.00 0.00 55.06 53.96 1yrr s HIS 129 Cb -0.21 -2.71 -0.04 0.00 -1.18 0.00 0.00 32.58 28.44 1yrr s HIS 129 CO 0.26 -0.82 0.38 -1.17 -0.65 0.00 0.00 174.74 172.73 1yrr s LEU 130 N 1.36 4.23 -0.56 8.88 2.96 0.04 -1.56 118.68 134.04 1yrr s LEU 130 Ca 0.02 0.61 0.04 0.00 -0.22 0.00 0.00 54.13 54.58 1yrr s LEU 130 Cb -0.22 -2.52 0.14 0.00 0.50 0.00 0.00 46.19 44.10 1yrr s LEU 130 CO 0.01 0.02 0.31 -0.70 -1.32 0.00 0.00 176.35 174.67 1yrr s GLU 131 N 0.73 2.06 0.00 1.98 2.12 -0.84 -0.96 118.70 123.79 1yrr s GLU 131 Ca 0.20 -2.76 0.00 0.00 0.36 0.00 0.00 54.97 52.77 1yrr s GLU 131 Cb -0.14 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 30.93 1yrr s GLU 131 CO 0.07 -1.15 0.00 0.41 -0.54 0.00 0.00 175.26 174.05 1yrr n GLY 132 N 2.88 3.68 0.76 -1.50 0.00 -1.18 -2.63 105.19 107.20 1yrr n GLY 132 Ca 0.08 -1.12 0.12 0.00 0.00 0.00 0.00 46.02 45.11 1yrr n GLY 132 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yrr n PRO 133 N -1.40 2.03 -2.23 1.61 -0.04 -1.26 -4.84 135.00 128.87 1yrr n PRO 133 Ca 0.00 -1.51 -0.41 0.00 -0.04 0.00 0.00 63.50 61.53 1yrr n PRO 133 Cb 0.00 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 1yrr n PRO 133 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1yrr n TRP 134 N 0.80 2.73 -4.19 0.54 8.01 -1.26 -4.93 117.44 119.13 1yrr n TRP 134 Ca 0.17 -2.78 -0.28 0.00 -1.31 0.00 0.00 57.50 53.29 1yrr n TRP 134 Cb 0.47 -1.83 -0.08 0.00 -2.01 0.00 0.00 31.31 27.85 1yrr n TRP 134 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1yrr s LEU 135 N -1.30 3.28 -0.81 -0.99 1.43 -1.26 -0.23 118.68 118.80 1yrr s LEU 135 Ca 0.45 -0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 53.16 1yrr s LEU 135 Cb 0.14 -1.99 0.21 0.00 0.03 0.00 0.00 46.19 44.57 1yrr s LEU 135 CO -0.04 0.14 0.70 0.21 0.23 0.00 0.00 176.35 177.59 1yrr s ASN 136 N -2.58 6.09 -0.90 2.29 3.84 0.23 -4.94 114.94 118.97 1yrr s ASN 136 Ca 0.25 -3.16 -0.25 0.00 0.21 0.00 0.00 52.86 49.92 1yrr s ASN 136 Cb -0.10 -2.00 0.02 0.00 -0.55 0.00 0.00 41.25 38.62 1yrr s ASN 136 CO 0.17 -0.35 1.54 -0.76 -2.79 0.00 0.00 177.10 174.91 1yrr s LEU 137 N -0.54 3.34 0.00 3.21 1.43 -1.26 -3.91 118.68 120.95 1yrr s LEU 137 Ca 0.22 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 1yrr s LEU 137 Cb -0.13 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.53 1yrr s LEU 137 CO -0.08 -1.89 0.00 0.52 0.23 0.00 0.00 176.35 175.13 1yrr n VAL 138 N 6.98 0.00 0.00 -1.59 0.31 -1.26 -4.81 118.33 117.96 1yrr n VAL 138 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 1yrr n VAL 138 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 1yrr n VAL 138 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1yrr n LYS 139 N 0.00 3.35 -3.11 5.55 2.85 -1.25 -5.02 118.16 120.53 1yrr n LYS 139 Ca 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.23 1yrr n LYS 139 Cb 0.00 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.37 1yrr n LYS 139 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1yrr s LYS 140 N 0.00 0.87 0.28 -1.58 1.02 -1.26 -4.81 119.74 114.26 1yrr s LYS 140 Ca 0.00 -0.58 0.06 0.00 0.02 0.00 0.00 55.97 55.47 1yrr s LYS 140 Cb 0.00 -0.05 -0.02 0.00 -0.52 0.00 0.00 37.83 37.23 1yrr s LYS 140 CO 0.00 -1.23 0.20 2.41 -0.92 0.00 0.00 175.35 175.81 1yrr n THR 142 N 3.97 0.00 0.04 2.17 -1.04 -1.26 -4.92 114.28 113.24 1yrr n THR 142 Ca 0.13 -1.97 0.00 0.00 -2.04 0.00 0.00 64.05 60.17 1yrr n THR 142 Cb 0.55 0.92 0.00 0.00 -1.82 0.00 0.00 70.33 69.99 1yrr n THR 142 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1yrr n HIS 143 N -0.57 -2.56 -2.23 -1.42 -0.00 -1.26 -5.00 115.22 102.19 1yrr n HIS 143 Ca 0.04 0.24 -0.06 0.00 -0.00 0.00 0.00 57.72 57.94 1yrr n HIS 143 Cb 0.49 1.01 0.03 0.00 -0.00 0.00 0.00 29.99 31.53 1yrr n HIS 143 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1yrr n ASN 144 N -2.66 -3.82 0.00 0.41 2.85 -1.26 -4.58 115.26 106.21 1yrr n ASN 144 Ca 0.00 -0.29 0.00 0.00 -0.11 0.00 0.00 54.58 54.18 1yrr n ASN 144 Cb 0.00 -2.42 0.00 0.00 1.24 0.00 0.00 39.78 38.60 1yrr n ASN 144 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1yrr n PRO 145 N -2.21 0.00 0.00 1.20 -0.04 -1.26 -2.58 135.00 130.11 1yrr n PRO 145 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1yrr n PRO 145 Cb 0.55 -1.44 0.01 0.00 -0.04 0.00 0.00 33.50 32.58 1yrr n PRO 145 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1yrr n ASN 146 N -0.66 0.00 -4.67 3.54 5.15 -1.26 -2.62 115.26 114.73 1yrr n ASN 146 Ca 0.00 -1.10 -0.35 0.00 -0.60 0.00 0.00 54.58 52.54 1yrr n ASN 146 Cb 0.28 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.43 1yrr n ASN 146 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1yrr s PHE 147 N -2.00 3.27 -0.23 1.20 0.08 -1.07 -4.73 117.98 114.50 1yrr s PHE 147 Ca 0.01 0.15 -0.26 0.00 0.12 0.00 0.00 56.93 56.94 1yrr s PHE 147 Cb 0.00 -1.99 0.00 0.00 -0.57 0.00 0.00 43.02 40.47 1yrr s PHE 147 CO 0.00 0.30 0.92 0.08 -0.10 0.00 0.00 175.22 176.42 1yrr s VAL 148 N -0.12 4.77 0.50 -0.44 1.01 -1.26 -4.74 120.40 120.12 1yrr s VAL 148 Ca 0.07 1.76 -0.17 0.00 0.00 0.00 0.00 61.98 63.64 1yrr s VAL 148 Cb -0.12 -4.20 -0.08 0.00 0.00 0.00 0.00 36.38 31.98 1yrr s VAL 148 CO 0.01 -0.11 0.97 -0.13 0.00 0.00 0.00 175.10 175.84 1yrr s ARG 149 N 2.97 3.99 0.13 2.72 0.52 -1.26 -4.91 118.95 123.10 1yrr s ARG 149 Ca 0.39 0.97 -0.22 0.00 -0.52 0.00 0.00 55.73 56.35 1yrr s ARG 149 Cb -0.15 -2.15 -0.03 0.00 0.52 0.00 0.00 34.95 33.14 1yrr s ARG 149 CO 0.07 -0.23 1.68 0.87 0.02 0.00 0.00 175.30 177.71 1yrr h LYS 150 N 1.08 -0.15 -0.60 3.54 1.57 -2.00 -1.55 116.57 118.47 1yrr h LYS 150 Ca -0.47 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.35 1yrr h LYS 150 Cb 1.18 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 1yrr h LYS 150 CO 0.61 -0.10 0.40 -1.35 -0.57 0.00 0.00 179.45 178.44 1yrr h PRO 151 N -0.15 0.69 -0.15 3.15 0.11 -2.00 -2.30 132.00 131.35 1yrr h PRO 151 Ca 0.08 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.05 1yrr h PRO 151 Cb 0.28 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 1yrr h PRO 151 CO -0.21 0.46 -0.35 0.38 -0.21 0.00 0.00 178.00 178.07 1yrr h ASP 152 N 0.71 0.32 -0.56 -2.05 -0.00 -1.79 -1.37 116.42 111.67 1yrr h ASP 152 Ca 0.24 -0.12 -0.04 0.00 -0.00 0.00 0.00 57.03 57.10 1yrr h ASP 152 Cb 0.06 -0.09 -0.02 0.00 -0.00 0.00 0.00 39.33 39.28 1yrr h ASP 152 CO -0.06 0.65 0.17 0.00 -0.00 0.00 0.00 179.24 180.00 1yrr h ALA 153 N 1.37 0.73 -0.15 4.15 0.00 -0.76 -1.37 119.26 123.23 1yrr h ALA 153 Ca 0.03 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 1yrr h ALA 153 Cb 0.74 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1yrr h ALA 153 CO 0.06 0.40 -0.65 0.00 0.00 0.00 0.00 179.25 179.05 1yrr h ALA 154 N 1.04 0.58 -0.15 0.00 0.00 -1.27 -1.92 119.26 117.54 1yrr h ALA 154 Ca 0.18 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1yrr h ALA 154 Cb 0.28 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1yrr h ALA 154 CO -0.01 0.71 0.06 1.25 0.00 0.00 0.00 179.25 181.27 1yrr h LEU 155 N 0.42 0.20 -1.56 0.00 5.85 -1.21 -1.44 115.31 117.57 1yrr h LEU 155 Ca -0.01 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 1yrr h LEU 155 Cb 1.22 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1yrr h LEU 155 CO 0.12 0.30 0.00 1.62 -0.34 0.00 0.00 178.44 180.15 1yrr h VAL 156 N 0.09 1.12 -0.42 1.05 3.04 -1.16 -0.81 116.25 119.16 1yrr h VAL 156 Ca 0.05 -0.48 -0.10 0.00 -1.01 0.00 0.00 66.70 65.17 1yrr h VAL 156 Cb 0.16 0.98 -0.01 0.00 -2.01 0.00 0.00 31.29 30.41 1yrr h VAL 156 CO -0.00 0.16 -0.11 0.44 -1.01 0.00 0.00 177.57 177.04 1yrr h ASP 157 N 0.27 0.82 -0.69 3.17 3.45 -1.03 -1.37 116.42 121.04 1yrr h ASP 157 Ca 0.07 -0.37 -0.01 0.00 0.43 0.00 0.00 57.03 57.14 1yrr h ASP 157 Cb 0.19 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.70 1yrr h ASP 157 CO 0.00 1.00 0.38 0.15 -1.57 0.00 0.00 179.24 179.20 1yrr h PHE 158 N 0.63 0.95 -0.16 4.55 3.57 -0.15 -1.50 116.94 124.84 1yrr h PHE 158 Ca 0.10 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1yrr h PHE 158 Cb 0.65 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1yrr h PHE 158 CO 0.05 0.68 0.02 -0.07 -2.23 0.00 0.00 178.31 176.76 1yrr h LEU 159 N 0.95 0.25 -1.20 0.59 3.38 -1.04 -2.56 115.31 115.68 1yrr h LEU 159 Ca 0.24 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1yrr h LEU 159 Cb 0.04 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1yrr h LEU 159 CO -0.04 0.45 0.52 0.00 0.09 0.00 0.00 178.44 179.47 1yrr h GLU 161 N 1.09 0.00 -0.49 0.00 5.08 -1.11 -2.77 114.58 116.37 1yrr h GLU 161 Ca 0.29 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.52 1yrr h GLU 161 Cb -0.12 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.05 1yrr h GLU 161 CO -0.06 0.18 0.10 0.09 -1.00 0.00 0.00 179.01 178.32 1yrr n ASN 162 N -3.80 4.04 0.30 1.42 3.02 -0.67 -4.64 115.26 114.93 1yrr n ASN 162 Ca -0.02 -3.26 0.17 0.00 -0.03 0.00 0.00 54.58 51.44 1yrr n ASN 162 Cb 0.28 -0.65 0.95 0.00 -0.61 0.00 0.00 39.78 39.75 1yrr n ASN 162 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yrr h ALA 163 N 2.04 1.31 0.00 5.41 0.00 -1.12 -1.17 119.26 125.74 1yrr h ALA 163 Ca 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1yrr h ALA 163 Cb 1.89 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 1yrr h ALA 163 CO 0.49 0.03 -0.06 0.38 0.00 0.00 0.00 179.25 180.09 1yrr h ASP 164 N 0.00 0.00 -0.03 0.00 2.03 -1.85 -3.04 116.42 113.52 1yrr h ASP 164 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1yrr h ASP 164 Cb 0.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 1yrr h ASP 164 CO 0.00 0.06 0.00 1.33 -1.03 0.00 0.00 179.24 179.61 1yrr n VAL 165 N -3.57 0.27 -3.67 4.15 0.24 -0.48 -4.96 118.33 110.30 1yrr n VAL 165 Ca -0.02 -0.63 -0.39 0.00 -2.04 0.00 0.00 64.34 61.26 1yrr n VAL 165 Cb 0.18 0.92 -0.12 0.00 -1.47 0.00 0.00 33.84 33.35 1yrr n VAL 165 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1yrr s ILE 166 N -0.49 4.36 -0.07 1.34 1.01 -1.00 -1.12 121.20 125.23 1yrr s ILE 166 Ca 0.05 -0.70 -0.17 0.00 0.00 0.00 0.00 60.65 59.84 1yrr s ILE 166 Cb 0.03 -3.32 -0.30 0.00 0.01 0.00 0.00 42.46 38.89 1yrr s ILE 166 CO 0.05 -0.05 0.71 0.74 0.00 0.00 0.00 174.94 176.39 1yrr h THR 167 N 5.83 1.17 -3.47 2.92 2.02 -1.23 -3.43 112.91 116.72 1yrr h THR 167 Ca -0.29 -2.49 -0.18 0.00 0.77 0.00 0.00 66.41 64.22 1yrr h THR 167 Cb 1.12 2.88 -0.25 0.00 -1.74 0.00 0.00 68.15 70.16 1yrr h THR 167 CO 0.63 0.74 -0.56 -0.75 0.37 0.00 0.00 175.52 175.95 1yrr s LYS 168 N -2.49 0.23 -0.14 6.66 2.20 -0.87 -1.01 119.74 124.31 1yrr s LYS 168 Ca -0.16 0.01 0.01 0.00 -0.36 0.00 0.00 55.97 55.47 1yrr s LYS 168 Cb 0.04 0.10 0.02 0.00 -1.51 0.00 0.00 37.83 36.48 1yrr s LYS 168 CO 0.82 -0.04 -0.16 0.08 -0.36 0.00 0.00 175.35 175.69 1yrr s VAL 169 N -0.32 1.64 -0.11 4.02 1.01 -0.10 -0.78 120.40 125.75 1yrr s VAL 169 Ca -0.04 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 1yrr s VAL 169 Cb -0.03 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1yrr s VAL 169 CO 0.00 0.47 0.45 -0.89 0.00 0.00 0.00 175.10 175.14 1yrr s THR 170 N 1.30 5.19 0.11 3.92 2.01 -0.14 -0.83 115.64 127.20 1yrr s THR 170 Ca 0.01 0.91 -0.07 0.00 0.31 0.00 0.00 61.69 62.85 1yrr s THR 170 Cb -0.13 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 1yrr s THR 170 CO -0.08 0.35 0.17 -1.48 -0.69 0.00 0.00 174.62 172.89 1yrr s LEU 171 N 0.50 1.47 -0.36 4.42 0.05 0.06 -3.13 118.68 121.69 1yrr s LEU 171 Ca 0.25 -0.82 -0.19 0.00 0.05 0.00 0.00 54.13 53.43 1yrr s LEU 171 Cb -0.15 0.89 -0.00 0.00 -2.05 0.00 0.00 46.19 44.88 1yrr s LEU 171 CO 0.10 -0.76 0.54 0.00 -0.55 0.00 0.00 176.35 175.68 1yrr s ALA 172 N -3.92 3.46 0.45 1.48 0.00 0.68 -0.75 121.76 123.18 1yrr s ALA 172 Ca 0.11 -1.01 0.15 0.00 0.00 0.00 0.00 51.96 51.21 1yrr s ALA 172 Cb 0.05 -3.06 1.09 0.00 0.00 0.00 0.00 23.12 21.20 1yrr s ALA 172 CO -0.07 -1.28 2.01 -1.35 0.00 0.00 0.00 175.76 175.07 1yrr h PRO 173 N 8.49 0.31 0.00 0.00 0.11 -1.88 -0.84 132.00 138.19 1yrr h PRO 173 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1yrr h PRO 173 Cb 1.12 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1yrr h PRO 173 CO 0.79 0.21 0.00 -0.85 -0.21 0.00 0.00 178.00 177.94 1yrr n GLU 174 N -4.46 0.13 0.00 1.05 0.00 -1.26 -2.58 120.64 113.52 1yrr n GLU 174 Ca 0.08 0.27 0.12 0.00 0.00 0.00 0.00 57.16 57.62 1yrr n GLU 174 Cb 0.35 -1.70 0.10 0.00 0.00 0.00 0.00 31.44 30.19 1yrr n GLU 174 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1yrr n MET 175 N -1.94 1.22 -4.06 3.44 2.81 -0.32 -4.77 117.12 113.50 1yrr n MET 175 Ca 0.04 -0.95 -0.13 0.00 -1.81 0.00 0.00 57.70 54.85 1yrr n MET 175 Cb 0.27 -1.48 -0.11 0.00 -0.71 0.00 0.00 33.22 31.19 1yrr n MET 175 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1yrr s VAL 176 N -2.44 0.51 0.53 2.03 -7.23 -1.06 -5.02 120.40 107.72 1yrr s VAL 176 Ca 0.21 -1.04 -0.21 0.00 -1.81 0.00 0.00 61.98 59.13 1yrr s VAL 176 Cb 0.19 -0.58 -0.06 0.00 0.56 0.00 0.00 36.38 36.49 1yrr s VAL 176 CO 0.54 -0.37 1.18 -2.84 -0.31 0.00 0.00 175.10 173.30 1yrr s PRO 177 N -1.53 3.35 0.29 4.82 0.02 -1.08 -4.60 135.00 136.27 1yrr s PRO 177 Ca -0.10 1.78 -0.00 0.00 0.02 0.00 0.00 61.00 62.70 1yrr s PRO 177 Cb -0.10 -2.13 0.50 0.00 0.02 0.00 0.00 34.50 32.79 1yrr s PRO 177 CO 0.00 -0.89 1.90 0.00 -0.33 0.00 0.00 177.00 177.69 1yrr h ALA 178 N 1.39 1.48 -0.59 -1.55 0.00 -1.86 -2.03 119.26 116.10 1yrr h ALA 178 Ca -0.50 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.45 1yrr h ALA 178 Cb 1.27 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1yrr h ALA 178 CO 0.57 0.38 0.39 1.49 0.00 0.00 0.00 179.25 182.09 1yrr h GLU 179 N 1.07 0.56 -0.17 0.00 4.22 -1.92 -1.09 114.58 117.26 1yrr h GLU 179 Ca 0.40 -0.03 -0.07 0.00 0.08 0.00 0.00 59.36 59.74 1yrr h GLU 179 Cb 0.19 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1yrr h GLU 179 CO -0.15 0.37 -0.15 0.28 -2.18 0.00 0.00 179.01 177.18 1yrr h VAL 180 N 0.58 1.34 -0.49 0.32 2.07 -1.75 -1.73 116.25 116.59 1yrr h VAL 180 Ca 0.26 -1.30 0.05 0.00 0.82 0.00 0.00 66.70 66.52 1yrr h VAL 180 Cb 0.27 1.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 1yrr h VAL 180 CO -0.07 0.39 0.24 0.40 0.02 0.00 0.00 177.57 178.54 1yrr h ILE 181 N 0.04 0.94 -0.71 4.57 2.04 -1.36 -1.83 117.51 121.20 1yrr h ILE 181 Ca 0.03 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 1yrr h ILE 181 Cb 0.68 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1yrr h ILE 181 CO 0.04 0.08 0.23 0.28 0.00 0.00 0.00 178.15 178.79 1yrr h SER 182 N 0.46 1.03 -0.35 1.72 0.02 -1.09 -1.19 113.55 114.16 1yrr h SER 182 Ca 0.22 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1yrr h SER 182 Cb 0.15 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1yrr h SER 182 CO -0.17 0.96 0.10 0.50 -1.14 0.00 0.00 176.83 177.08 1yrr h LYS 183 N 1.04 0.55 -0.16 3.45 3.64 -1.08 -0.57 116.57 123.44 1yrr h LYS 183 Ca 0.23 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1yrr h LYS 183 Cb 0.29 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1yrr h LYS 183 CO -0.01 0.59 0.10 -0.07 -2.27 0.00 0.00 179.45 177.78 1yrr h LEU 184 N 0.41 0.16 -0.82 5.20 3.38 -1.20 -1.84 115.31 120.60 1yrr h LEU 184 Ca 0.11 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1yrr h LEU 184 Cb 0.27 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1yrr h LEU 184 CO -0.00 0.12 0.43 0.00 0.09 0.00 0.00 178.44 179.08 1yrr h ALA 185 N 1.07 1.05 0.00 1.53 0.00 -1.10 -2.40 119.26 119.40 1yrr h ALA 185 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1yrr h ALA 185 Cb -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1yrr h ALA 185 CO -0.02 0.58 -0.05 -0.91 0.00 0.00 0.00 179.25 178.85 1yrr h ASN 186 N 1.15 0.00 0.02 0.00 -0.26 -0.92 -0.08 115.58 115.48 1yrr h ASN 186 Ca 0.29 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.03 1yrr h ASN 186 Cb 0.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.33 1yrr h ASN 186 CO -0.04 0.05 -0.00 0.00 -1.06 0.00 0.00 177.43 176.38 1yrr n ALA 187 N -2.12 2.68 0.00 -0.83 0.00 -0.71 -4.92 120.51 114.61 1yrr n ALA 187 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1yrr n ALA 187 Cb 0.36 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1yrr n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yrr n GLY 188 N 1.02 0.24 3.72 0.00 0.00 -0.04 -4.85 105.19 105.28 1yrr n GLY 188 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1yrr n GLY 188 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yrr s ILE 189 N -2.00 4.56 -0.15 -0.61 1.01 -1.04 -5.00 121.20 117.97 1yrr s ILE 189 Ca 0.00 1.97 -0.29 0.00 0.00 0.00 0.00 60.65 62.33 1yrr s ILE 189 Cb 0.00 -4.26 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 1yrr s ILE 189 CO 0.00 0.23 1.37 -0.69 0.00 0.00 0.00 174.94 175.85 1yrr s VAL 190 N 0.50 4.09 -0.23 2.92 1.01 -0.18 -3.92 120.40 124.58 1yrr s VAL 190 Ca 0.50 1.31 -0.12 0.00 0.00 0.00 0.00 61.98 63.66 1yrr s VAL 190 Cb -0.23 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1yrr s VAL 190 CO 0.29 -0.15 0.25 -0.69 0.00 0.00 0.00 175.10 174.80 1yrr s VAL 191 N 3.76 5.30 -0.07 2.92 1.01 -1.26 -0.93 120.40 131.13 1yrr s VAL 191 Ca 0.60 0.36 0.05 0.00 0.00 0.00 0.00 61.98 62.99 1yrr s VAL 191 Cb -0.24 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1yrr s VAL 191 CO 0.19 0.30 -0.21 -0.55 0.00 0.00 0.00 175.10 174.83 1yrr s SER 192 N 1.14 3.42 -0.07 3.32 0.15 -0.01 -1.88 113.70 119.76 1yrr s SER 192 Ca 0.11 -0.42 -0.26 0.00 0.70 0.00 0.00 55.95 56.09 1yrr s SER 192 Cb -0.14 -0.96 -0.03 0.00 -1.71 0.00 0.00 66.02 63.18 1yrr s SER 192 CO 0.06 0.25 0.83 0.00 1.20 0.00 0.00 173.24 175.59 1yrr s ALA 193 N -0.21 3.33 -0.04 5.45 0.00 -0.18 -0.76 121.76 129.36 1yrr s ALA 193 Ca -0.01 0.25 -0.31 0.00 0.00 0.00 0.00 51.96 51.89 1yrr s ALA 193 Cb -0.13 -3.16 0.11 0.00 0.00 0.00 0.00 23.12 19.94 1yrr s ALA 193 CO 0.03 -0.30 1.10 0.20 0.00 0.00 0.00 175.76 176.80 1yrr s GLY 194 N 0.96 -0.35 -1.13 0.00 0.00 0.07 -0.79 107.32 106.08 1yrr s GLY 194 Ca 0.43 0.96 -0.23 0.00 0.00 0.00 0.00 44.72 45.87 1yrr s GLY 194 CO 0.20 0.28 0.76 1.42 0.00 0.00 0.00 173.10 175.76 1yrr n HIS 195 N -0.30 -1.82 -3.95 1.90 -0.00 -0.98 -3.34 115.22 106.73 1yrr n HIS 195 Ca -0.05 0.39 -0.10 0.00 -0.00 0.00 0.00 57.72 57.96 1yrr n HIS 195 Cb 0.61 -3.27 -0.11 0.00 -0.00 0.00 0.00 29.99 27.22 1yrr n HIS 195 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1yrr s SER 196 N -3.45 0.17 -0.26 0.41 0.15 -0.73 -0.60 113.70 109.39 1yrr s SER 196 Ca 0.45 -0.38 0.12 0.00 0.70 0.00 0.00 55.95 56.85 1yrr s SER 196 Cb -0.18 0.12 0.59 0.00 -1.71 0.00 0.00 66.02 64.83 1yrr s SER 196 CO 0.89 -0.28 1.56 -3.20 1.20 0.00 0.00 173.24 173.41 1yrr n ASN 197 N 1.75 3.80 -4.74 5.45 5.15 -1.26 -3.75 115.26 121.66 1yrr n ASN 197 Ca -0.22 -3.30 -0.42 0.00 -0.60 0.00 0.00 54.58 50.04 1yrr n ASN 197 Cb 0.56 -0.64 -0.02 0.00 -0.53 0.00 0.00 39.78 39.15 1yrr n ASN 197 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1yrr s ALA 198 N -3.01 3.83 1.03 5.20 0.00 -1.26 -4.88 121.76 122.68 1yrr s ALA 198 Ca 0.47 1.57 -0.12 0.00 0.00 0.00 0.00 51.96 53.88 1yrr s ALA 198 Cb 0.39 -3.67 0.21 0.00 0.00 0.00 0.00 23.12 20.05 1yrr s ALA 198 CO 0.08 -0.95 1.07 0.95 0.00 0.00 0.00 175.76 176.91 1yrr s THR 199 N 0.55 2.19 0.18 0.00 -4.23 -1.26 -1.53 115.64 111.54 1yrr s THR 199 Ca 0.68 0.06 -0.14 0.00 -1.18 0.00 0.00 61.69 61.12 1yrr s THR 199 Cb -0.48 -2.32 0.08 0.00 1.34 0.00 0.00 72.50 71.11 1yrr s THR 199 CO 0.40 -0.08 1.74 0.25 -0.54 0.00 0.00 174.62 176.39 1yrr h LEU 200 N -2.11 0.11 -0.80 4.79 6.46 -1.90 -0.03 115.31 121.84 1yrr h LEU 200 Ca -0.55 0.06 0.04 0.00 -0.12 0.00 0.00 57.88 57.31 1yrr h LEU 200 Cb 1.31 0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 41.26 1yrr h LEU 200 CO 0.52 0.10 0.50 0.50 -0.62 0.00 0.00 178.44 179.44 1yrr h LYS 201 N 0.30 0.94 -0.42 1.25 3.64 -1.92 -1.15 116.57 119.20 1yrr h LYS 201 Ca 0.22 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.40 1yrr h LYS 201 Cb 0.25 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1yrr h LYS 201 CO -0.25 0.62 -0.31 0.93 -2.27 0.00 0.00 179.45 178.17 1yrr h GLU 202 N 0.96 0.95 -0.16 1.90 5.08 -1.78 -2.34 114.58 119.19 1yrr h GLU 202 Ca 0.33 -0.45 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1yrr h GLU 202 Cb 0.06 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1yrr h GLU 202 CO -0.13 1.11 0.06 0.00 -1.00 0.00 0.00 179.01 179.05 1yrr h ALA 203 N 0.85 0.18 -0.74 3.43 0.00 -0.70 -1.98 119.26 120.30 1yrr h ALA 203 Ca 0.08 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1yrr h ALA 203 Cb 0.89 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1yrr h ALA 203 CO 0.08 -0.38 0.32 0.87 0.00 0.00 0.00 179.25 180.14 1yrr h LYS 204 N 0.14 1.09 -1.00 0.00 1.79 -1.17 -0.89 116.57 116.52 1yrr h LYS 204 Ca 0.07 -0.18 0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1yrr h LYS 204 Cb 0.04 -0.19 -0.05 0.00 -1.58 0.00 0.00 32.23 30.45 1yrr h LYS 204 CO -0.07 0.86 0.66 0.00 -1.08 0.00 0.00 179.45 179.82 1yrr h ALA 205 N 1.28 1.29 -0.40 3.86 0.00 -1.28 -0.96 119.26 123.05 1yrr h ALA 205 Ca 0.25 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1yrr h ALA 205 Cb 0.17 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 1yrr h ALA 205 CO -0.03 0.60 0.14 0.78 0.00 0.00 0.00 179.25 180.74 1yrr h GLY 206 N 1.31 0.52 0.98 0.00 0.00 -0.53 -1.51 103.07 103.83 1yrr h GLY 206 Ca 0.38 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.64 1yrr h GLY 206 CO -0.10 0.02 0.32 0.74 0.00 0.00 0.00 176.54 177.51 1yrr h PHE 207 N 0.30 0.60 0.00 5.60 0.04 -0.71 -2.16 116.94 120.60 1yrr h PHE 207 Ca 0.19 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.91 1yrr h PHE 207 Cb 0.18 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 1yrr h PHE 207 CO -0.15 0.37 -0.28 0.00 -0.60 0.00 0.00 178.31 177.64 1yrr h ARG 208 N 0.64 0.00 0.00 1.51 3.08 -0.92 -1.37 114.38 117.31 1yrr h ARG 208 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1yrr h ARG 208 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1yrr h ARG 208 CO -0.05 0.28 0.00 0.00 -1.07 0.00 0.00 179.97 179.13 1yrr n ALA 209 N -2.43 2.31 0.00 0.04 0.00 -0.59 -4.90 120.51 114.93 1yrr n ALA 209 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1yrr n ALA 209 Cb 0.35 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1yrr n ALA 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yrr n GLY 210 N 1.42 0.42 3.70 0.00 0.00 -0.52 -2.93 105.19 107.28 1yrr n GLY 210 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1yrr n GLY 210 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yrr s ILE 211 N -0.78 2.87 0.00 -0.61 1.01 -0.87 -4.58 121.20 118.25 1yrr s ILE 211 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.11 1yrr s ILE 211 Cb 0.00 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.17 1yrr s ILE 211 CO 0.00 0.01 0.46 0.35 0.00 0.00 0.00 174.94 175.76 1yrr n THR 212 N 4.43 0.06 -4.10 2.92 -2.24 -0.79 -4.50 114.28 110.06 1yrr n THR 212 Ca 0.15 -0.45 -0.10 0.00 -2.27 0.00 0.00 64.05 61.38 1yrr n THR 212 Cb 0.40 1.12 -0.11 0.00 -2.10 0.00 0.00 70.33 69.64 1yrr n THR 212 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1yrr s PHE 213 N -0.06 0.69 -0.01 4.78 5.36 -1.13 -1.77 117.98 125.84 1yrr s PHE 213 Ca 0.00 -0.78 0.02 0.00 -0.96 0.00 0.00 56.93 55.21 1yrr s PHE 213 Cb 0.00 -0.42 -0.00 0.00 -0.34 0.00 0.00 43.02 42.25 1yrr s PHE 213 CO 0.00 -0.18 -0.08 0.00 -1.46 0.00 0.00 175.22 173.50 1yrr s ALA 214 N -2.80 0.70 -0.17 11.12 0.00 -0.37 -1.01 121.76 129.24 1yrr s ALA 214 Ca 0.02 -0.34 -0.18 0.00 0.00 0.00 0.00 51.96 51.46 1yrr s ALA 214 Cb -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1yrr s ALA 214 CO -0.04 0.16 0.48 0.99 0.00 0.00 0.00 175.76 177.35 1yrr s THR 215 N -0.09 5.15 -0.21 0.00 2.01 0.03 -1.76 115.64 120.77 1yrr s THR 215 Ca 0.02 0.91 -0.19 0.00 0.31 0.00 0.00 61.69 62.74 1yrr s THR 215 Cb -0.04 -3.81 0.03 0.00 0.01 0.00 0.00 72.50 68.68 1yrr s THR 215 CO -0.00 0.25 0.32 0.00 -0.69 0.00 0.00 174.62 174.49 1yrr n HIS 216 N 4.29 -1.27 -1.56 4.92 1.44 -1.24 -4.77 115.22 117.04 1yrr n HIS 216 Ca -0.06 0.53 -0.51 0.00 -2.01 0.00 0.00 57.72 55.67 1yrr n HIS 216 Cb 0.51 -0.84 -0.05 0.00 0.12 0.00 0.00 29.99 29.73 1yrr n HIS 216 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1yrr n LEU 217 N -0.06 1.16 0.00 2.39 7.94 -0.22 -1.35 117.00 126.86 1yrr n LEU 217 Ca -0.04 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 1yrr n LEU 217 Cb 0.33 -1.14 0.00 0.00 0.53 0.00 0.00 43.42 43.14 1yrr n LEU 217 CO 0.26 -1.41 0.00 -1.22 -1.11 0.00 0.00 177.39 173.91 1yrr n TYR 218 N 1.75 0.00 -3.44 1.96 4.01 -1.26 -4.79 117.16 115.39 1yrr n TYR 218 Ca 0.17 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.54 1yrr n TYR 218 Cb 0.20 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.16 1yrr n TYR 218 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1yrr s ASN 219 N 0.00 6.50 -1.28 7.72 0.02 -0.46 -4.02 114.94 123.43 1yrr s ASN 219 Ca 0.00 0.59 -0.04 0.00 -1.02 0.00 0.00 52.86 52.39 1yrr s ASN 219 Cb 0.00 -2.22 0.01 0.00 0.02 0.00 0.00 41.25 39.05 1yrr s ASN 219 CO 0.00 0.03 1.04 0.00 0.02 0.00 0.00 177.10 178.19 1yrr n ALA 220 N 3.84 -1.74 -2.58 0.60 0.00 -1.26 -4.68 120.51 114.68 1yrr n ALA 220 Ca -0.10 0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 1yrr n ALA 220 Cb 0.52 -3.55 -0.09 0.00 0.00 0.00 0.00 19.45 16.33 1yrr n ALA 220 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1yrr s MET 221 N -5.79 0.65 0.75 0.00 -1.94 -1.25 -1.78 119.30 109.93 1yrr s MET 221 Ca 0.23 -0.87 -0.14 0.00 -1.71 0.00 0.00 55.69 53.19 1yrr s MET 221 Cb -0.10 0.25 0.05 0.00 2.01 0.00 0.00 34.83 37.04 1yrr s MET 221 CO 0.74 -0.17 1.21 -2.14 -0.01 0.00 0.00 175.02 174.65 1yrr s PRO 222 N -3.10 2.01 0.99 2.03 0.02 -1.25 -4.96 135.00 130.74 1yrr s PRO 222 Ca -0.01 1.75 -0.12 0.00 0.02 0.00 0.00 61.00 62.65 1yrr s PRO 222 Cb 0.02 -1.82 0.18 0.00 0.02 0.00 0.00 34.50 32.90 1yrr s PRO 222 CO -0.07 -1.93 1.08 1.52 -0.33 0.00 0.00 177.00 177.27 1yrr s TYR 223 N -2.03 1.93 -0.31 6.54 -0.00 -1.26 -4.56 117.35 117.66 1yrr s TYR 223 Ca 0.74 1.26 -0.14 0.00 -0.00 0.00 0.00 57.07 58.93 1yrr s TYR 223 Cb -0.29 -3.18 -0.03 0.00 -0.00 0.00 0.00 41.96 38.46 1yrr s TYR 223 CO 0.47 -2.93 0.32 0.42 -0.00 0.00 0.00 175.55 173.83 1yrr s ILE 224 N -2.78 5.21 0.42 -3.49 1.01 -1.26 -4.62 121.20 115.69 1yrr s ILE 224 Ca 0.65 0.21 0.07 0.00 0.00 0.00 0.00 60.65 61.59 1yrr s ILE 224 Cb -0.21 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 1yrr s ILE 224 CO 0.59 0.06 0.29 0.42 0.00 0.00 0.00 174.94 176.30 1yrr s THR 225 N 1.95 2.49 0.16 2.92 -4.23 -0.67 -4.99 115.64 113.27 1yrr s THR 225 Ca 0.11 -1.51 -0.14 0.00 -1.18 0.00 0.00 61.69 58.98 1yrr s THR 225 Cb -0.16 -2.99 0.05 0.00 1.34 0.00 0.00 72.50 70.74 1yrr s THR 225 CO 0.11 0.00 1.78 1.23 -0.54 0.00 0.00 174.62 177.20 1yrr h GLY 226 N 1.21 0.78 1.17 3.99 0.00 -1.99 -2.72 103.07 105.51 1yrr h GLY 226 Ca -0.42 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 46.50 1yrr h GLY 226 CO 0.63 0.34 -0.99 3.21 0.00 0.00 0.00 176.54 179.73 1yrr h ARG 227 N 0.70 0.00 -3.39 4.80 3.08 -2.03 -3.42 114.38 114.12 1yrr h ARG 227 Ca 0.18 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.62 1yrr h ARG 227 Cb 0.04 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.69 1yrr h ARG 227 CO -0.03 0.12 -0.73 -1.21 -1.07 0.00 0.00 179.97 177.06 1yrr s GLU 228 N -3.19 1.26 0.50 0.04 0.41 -1.03 -4.98 118.70 111.71 1yrr s GLU 228 Ca -0.00 -1.84 0.26 0.00 -0.41 0.00 0.00 54.97 52.98 1yrr s GLU 228 Cb 0.09 -2.49 1.32 0.00 -1.78 0.00 0.00 34.13 31.27 1yrr s GLU 228 CO 0.78 -1.08 2.01 -1.35 -0.49 0.00 0.00 175.26 175.13 1yrr h PRO 229 N 7.14 0.00 -2.32 0.39 0.11 -1.83 -1.78 132.00 133.71 1yrr h PRO 229 Ca -0.05 0.00 0.28 0.00 0.11 0.00 0.00 66.00 66.34 1yrr h PRO 229 Cb 0.96 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.99 1yrr h PRO 229 CO 0.51 0.15 -0.39 0.41 -0.21 0.00 0.00 178.00 178.47 1yrr n GLY 230 N -0.50 -1.75 0.29 -0.55 0.00 -1.26 -1.98 105.19 99.43 1yrr n GLY 230 Ca -0.01 -1.26 0.07 0.00 0.00 0.00 0.00 46.02 44.82 1yrr n GLY 230 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1yrr h LEU 231 N -0.96 0.25 -0.49 0.99 5.85 -1.46 -0.89 115.31 118.60 1yrr h LEU 231 Ca 0.02 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 1yrr h LEU 231 Cb 0.95 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 1yrr h LEU 231 CO 0.01 0.06 0.07 0.00 -0.34 0.00 0.00 178.44 178.24 1yrr h ALA 232 N 1.60 0.66 -0.77 1.25 0.00 -1.81 -0.80 119.26 119.38 1yrr h ALA 232 Ca 0.45 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1yrr h ALA 232 Cb 0.74 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1yrr h ALA 232 CO -0.45 0.39 0.35 0.78 0.00 0.00 0.00 179.25 180.32 1yrr h GLY 233 N 0.69 1.19 0.97 0.00 0.00 -0.98 -2.02 103.07 102.93 1yrr h GLY 233 Ca 0.15 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1yrr h GLY 233 CO 0.01 0.57 0.15 0.00 0.00 0.00 0.00 176.54 177.27 1yrr h ALA 234 N 1.29 0.32 -0.20 3.60 0.00 -0.91 -1.44 119.26 121.91 1yrr h ALA 234 Ca 0.26 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1yrr h ALA 234 Cb 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1yrr h ALA 234 CO -0.03 -0.18 0.01 0.82 0.00 0.00 0.00 179.25 179.87 1yrr h ILE 235 N 0.31 0.88 -0.09 0.00 2.04 -0.90 -1.74 117.51 118.01 1yrr h ILE 235 Ca 0.09 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1yrr h ILE 235 Cb 0.02 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1yrr h ILE 235 CO -0.02 0.01 -0.04 -0.07 0.00 0.00 0.00 178.15 178.04 1yrr h LEU 236 N 0.08 0.11 -0.32 1.44 3.38 -1.20 -2.23 115.31 116.57 1yrr h LEU 236 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1yrr h LEU 236 Cb 0.11 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1yrr h LEU 236 CO -0.14 0.17 -0.30 -0.67 0.09 0.00 0.00 178.44 177.58 1yrr n ASP 237 N -4.42 0.81 -4.20 -0.43 2.03 -0.56 -4.69 116.55 105.09 1yrr n ASP 237 Ca -0.02 -0.66 -0.39 0.00 0.52 0.00 0.00 54.79 54.25 1yrr n ASP 237 Cb 0.16 0.13 -0.10 0.00 -0.72 0.00 0.00 41.12 40.59 1yrr n ASP 237 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1yrr s GLU 238 N -2.64 2.37 0.54 -0.67 2.56 -0.69 -4.97 118.70 115.19 1yrr s GLU 238 Ca 0.21 -1.66 0.24 0.00 0.00 0.00 0.00 54.97 53.76 1yrr s GLU 238 Cb 0.19 -3.74 1.50 0.00 2.00 0.00 0.00 34.13 34.07 1yrr s GLU 238 CO 0.56 -1.06 2.14 0.00 -0.56 0.00 0.00 175.26 176.35 1yrr h ALA 239 N 8.30 1.55 -0.00 6.30 0.00 -1.86 -2.67 119.26 130.88 1yrr h ALA 239 Ca -0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1yrr h ALA 239 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1yrr h ALA 239 CO 0.76 0.08 -0.22 -0.40 0.00 0.00 0.00 179.25 179.48 1yrr n ASP 240 N -3.96 0.54 -4.65 0.00 5.68 -1.26 -4.81 116.55 108.08 1yrr n ASP 240 Ca -0.03 -0.43 -0.41 0.00 -0.50 0.00 0.00 54.79 53.42 1yrr n ASP 240 Cb 0.16 -0.01 -0.04 0.00 -1.14 0.00 0.00 41.12 40.08 1yrr n ASP 240 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1yrr s ILE 241 N -2.67 4.87 0.58 2.12 -1.09 -1.01 -4.95 121.20 119.05 1yrr s ILE 241 Ca 0.22 1.55 -0.15 0.00 -2.23 0.00 0.00 60.65 60.04 1yrr s ILE 241 Cb 0.19 -4.11 -0.05 0.00 -1.58 0.00 0.00 42.46 36.91 1yrr s ILE 241 CO 0.54 -0.02 1.02 -0.31 -1.23 0.00 0.00 174.94 174.94 1yrr s TYR 242 N 2.53 3.35 -0.08 3.97 2.02 -0.73 -4.88 117.35 123.53 1yrr s TYR 242 Ca 0.35 1.43 -0.29 0.00 -0.37 0.00 0.00 57.07 58.19 1yrr s TYR 242 Cb -0.16 -2.83 0.07 0.00 -0.40 0.00 0.00 41.96 38.64 1yrr s TYR 242 CO 0.09 -0.70 0.67 0.00 -1.57 0.00 0.00 175.55 174.04 1yrr s GLY 244 N -0.95 1.88 -0.03 0.00 0.00 -0.72 -0.69 107.32 106.81 1yrr s GLY 244 Ca -0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 44.72 44.23 1yrr s GLY 244 CO 0.08 -0.20 0.09 -1.50 0.00 0.00 0.00 173.10 171.57 1yrr s ILE 245 N -2.28 0.01 -0.41 0.90 2.07 -0.14 -1.06 121.20 120.29 1yrr s ILE 245 Ca 0.48 -0.08 -0.19 0.00 -1.41 0.00 0.00 60.65 59.45 1yrr s ILE 245 Cb -0.10 -0.16 0.02 0.00 0.13 0.00 0.00 42.46 42.34 1yrr s ILE 245 CO 0.32 -0.05 0.56 -0.63 -1.91 0.00 0.00 174.94 173.23 1yrr s ILE 246 N -0.11 4.94 -0.91 2.00 1.01 -1.26 -2.00 121.20 124.87 1yrr s ILE 246 Ca -0.02 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.71 1yrr s ILE 246 Cb -0.01 -4.10 0.34 0.00 0.01 0.00 0.00 42.46 38.69 1yrr s ILE 246 CO 0.00 -0.45 1.91 0.00 0.00 0.00 0.00 174.94 176.40 1yrr n ALA 247 N 5.97 6.28 1.11 9.38 0.00 -1.26 -4.32 120.51 137.68 1yrr n ALA 247 Ca -0.04 -4.34 0.12 0.00 0.00 0.00 0.00 53.44 49.19 1yrr n ALA 247 Cb 0.48 -2.03 0.16 0.00 0.00 0.00 0.00 19.45 18.07 1yrr n ALA 247 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1yrr n ASP 248 N -0.34 1.52 0.00 0.00 5.68 -1.26 -4.55 116.55 117.61 1yrr n ASP 248 Ca 0.50 -1.20 0.00 0.00 -0.50 0.00 0.00 54.79 53.59 1yrr n ASP 248 Cb 0.25 0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 1yrr n ASP 248 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1yrr n GLY 249 N 1.39 0.85 0.66 6.12 0.00 -1.26 -4.82 105.19 108.14 1yrr n GLY 249 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1yrr n GLY 249 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yrr n LEU 250 N 0.00 1.05 0.02 0.99 4.77 -1.26 -4.78 117.00 117.78 1yrr n LEU 250 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1yrr n LEU 250 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1yrr n LEU 250 CO 0.00 0.16 0.46 0.45 -1.33 0.00 0.00 177.39 177.13 1yrr h HIS 251 N 0.00 0.66 -3.34 -1.77 3.86 -1.87 -3.44 115.15 109.25 1yrr h HIS 251 Ca 0.00 -0.24 -0.41 0.00 -1.16 0.00 0.00 60.37 58.56 1yrr h HIS 251 Cb 0.95 -0.12 -0.37 0.00 1.06 0.00 0.00 27.41 28.93 1yrr h HIS 251 CO 0.00 0.97 -0.76 0.08 0.86 0.00 0.00 177.93 179.08 1yrr s VAL 252 N -3.93 0.31 0.31 2.45 1.01 -1.26 -4.86 120.40 114.43 1yrr s VAL 252 Ca -0.07 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 1yrr s VAL 252 Cb 0.11 -0.44 -0.12 0.00 0.00 0.00 0.00 36.38 35.93 1yrr s VAL 252 CO 0.84 0.22 1.39 -0.67 0.00 0.00 0.00 175.10 176.88 1yrr n ASP 253 N 4.78 3.06 0.07 3.32 2.03 -1.26 -4.34 116.55 124.21 1yrr n ASP 253 Ca -0.13 1.19 0.15 0.00 0.52 0.00 0.00 54.79 56.51 1yrr n ASP 253 Cb 0.50 -1.51 0.64 0.00 -0.72 0.00 0.00 41.12 40.04 1yrr n ASP 253 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 1yrr h TYR 254 N 3.34 0.08 -0.21 -0.67 0.05 -1.92 -0.01 116.97 117.63 1yrr h TYR 254 Ca -0.47 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.27 1yrr h TYR 254 Cb 1.27 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.97 1yrr h TYR 254 CO 0.53 0.04 -0.07 0.00 -1.05 0.00 0.00 178.16 177.61 1yrr h ALA 255 N 1.81 1.49 -0.00 3.88 0.00 -1.91 -0.45 119.26 124.08 1yrr h ALA 255 Ca 0.18 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1yrr h ALA 255 Cb 0.61 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1yrr h ALA 255 CO -0.01 0.36 -0.70 -0.91 0.00 0.00 0.00 179.25 177.99 1yrr h ASN 256 N 0.31 0.03 -0.15 0.00 2.35 -1.37 -0.97 115.58 115.79 1yrr h ASN 256 Ca 0.07 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1yrr h ASN 256 Cb 0.33 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 1yrr h ASN 256 CO 0.02 0.72 -0.05 0.40 -1.65 0.00 0.00 177.43 176.86 1yrr h ILE 257 N 0.02 1.30 -0.29 2.81 2.04 -1.08 -0.77 117.51 121.53 1yrr h ILE 257 Ca -0.01 -1.03 0.06 0.00 1.00 0.00 0.00 64.86 64.88 1yrr h ILE 257 Cb 1.24 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 38.93 1yrr h ILE 257 CO 0.09 0.30 -0.07 0.03 0.00 0.00 0.00 178.15 178.51 1yrr h ARG 258 N -0.01 0.00 -0.38 2.37 3.08 -0.91 0.11 114.38 118.64 1yrr h ARG 258 Ca 0.04 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.15 1yrr h ARG 258 Cb 0.49 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.49 1yrr h ARG 258 CO 0.02 0.00 0.07 -0.91 -1.07 0.00 0.00 179.97 178.08 1yrr h ASN 259 N 0.00 -0.01 -0.81 7.04 2.35 -1.19 -2.34 115.58 120.63 1yrr h ASN 259 Ca 0.14 0.07 0.05 0.00 -0.55 0.00 0.00 56.30 56.00 1yrr h ASN 259 Cb 0.21 0.09 -0.06 0.00 0.05 0.00 0.00 38.32 38.62 1yrr h ASN 259 CO -0.29 0.03 0.50 0.00 -1.65 0.00 0.00 177.43 176.02 1yrr h ALA 260 N 1.29 1.09 -0.66 -0.83 0.00 -0.78 -1.89 119.26 117.48 1yrr h ALA 260 Ca 0.18 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1yrr h ALA 260 Cb 0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1yrr h ALA 260 CO -0.25 0.27 0.10 -0.22 0.00 0.00 0.00 179.25 179.15 1yrr h LYS 261 N 0.94 1.10 -0.43 0.00 1.63 -0.46 0.94 116.57 120.29 1yrr h LYS 261 Ca 0.34 -0.30 -0.10 0.00 -0.85 0.00 0.00 60.65 59.74 1yrr h LYS 261 Cb 0.11 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 1yrr h LYS 261 CO -0.15 1.02 -0.14 0.00 -3.45 0.00 0.00 179.45 176.73 1yrr h ARG 262 N 1.03 0.80 0.04 1.90 3.08 -1.18 -0.88 114.38 119.17 1yrr h ARG 262 Ca 0.20 -0.28 -0.22 0.00 0.07 0.00 0.00 59.98 59.74 1yrr h ARG 262 Cb 0.45 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1yrr h ARG 262 CO 0.01 0.90 -1.03 -0.07 -1.07 0.00 0.00 179.97 178.71 1yrr h LEU 263 N 0.72 0.15 0.00 3.04 3.38 -1.00 -3.35 115.31 118.25 1yrr h LEU 263 Ca 0.12 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1yrr h LEU 263 Cb 0.63 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1yrr h LEU 263 CO 0.04 1.08 -1.18 0.29 0.09 0.00 0.00 178.44 178.77 1yrr n LYS 264 N -3.46 0.57 0.00 1.13 4.76 0.29 -4.93 118.16 116.52 1yrr n LYS 264 Ca -0.03 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1yrr n LYS 264 Cb 0.93 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 1yrr n LYS 264 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1yrr n GLY 265 N 1.22 3.83 0.12 0.72 0.00 -0.34 -1.46 105.19 109.27 1yrr n GLY 265 Ca -0.00 0.12 0.01 0.00 0.00 0.00 0.00 46.02 46.14 1yrr n GLY 265 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yrr n ASP 266 N 6.72 0.33 -0.26 1.61 5.68 -1.26 -3.65 116.55 125.72 1yrr n ASP 266 Ca 0.00 -2.00 0.11 0.00 -0.50 0.00 0.00 54.79 52.40 1yrr n ASP 266 Cb 0.00 -0.05 0.01 0.00 -1.14 0.00 0.00 41.12 39.94 1yrr n ASP 266 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1yrr n LYS 267 N -0.33 0.65 -3.08 0.11 4.76 -0.53 -4.82 118.16 114.92 1yrr n LYS 267 Ca 0.02 -0.52 -0.40 0.00 -2.87 0.00 0.00 58.31 54.54 1yrr n LYS 267 Cb 0.05 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 31.70 1yrr n LYS 267 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1yrr s LEU 268 N -2.71 4.12 -0.08 -0.35 2.96 -1.24 -1.74 118.68 119.64 1yrr s LEU 268 Ca 0.15 0.85 0.01 0.00 -0.22 0.00 0.00 54.13 54.92 1yrr s LEU 268 Cb 0.17 -2.93 -0.02 0.00 0.50 0.00 0.00 46.19 43.91 1yrr s LEU 268 CO 0.68 -0.33 -0.11 0.00 -1.32 0.00 0.00 176.35 175.27 1yrr s LEU 270 N -0.37 4.40 0.13 0.00 2.96 -0.39 -0.97 118.68 124.45 1yrr s LEU 270 Ca 0.04 2.13 0.05 0.00 -0.22 0.00 0.00 54.13 56.13 1yrr s LEU 270 Cb -0.12 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1yrr s LEU 270 CO 0.02 -0.46 -0.11 0.68 -1.32 0.00 0.00 176.35 175.17 1yrr s VAL 271 N 0.67 1.14 -0.08 1.68 -7.23 -0.85 -4.66 120.40 111.07 1yrr s VAL 271 Ca 0.57 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 1yrr s VAL 271 Cb -0.31 -1.67 -0.25 0.00 0.56 0.00 0.00 36.38 34.70 1yrr s VAL 271 CO 0.32 -0.64 0.51 0.71 -0.31 0.00 0.00 175.10 175.68 1yrr h THR 272 N 3.10 0.74 -5.66 5.32 1.35 -1.86 -3.36 112.91 112.55 1yrr h THR 272 Ca -0.37 -2.50 -0.37 0.00 -0.55 0.00 0.00 66.41 62.62 1yrr h THR 272 Cb 1.19 2.50 -0.12 0.00 -1.73 0.00 0.00 68.15 69.99 1yrr h THR 272 CO 0.59 0.75 -0.55 -0.67 -0.25 0.00 0.00 175.52 175.39 1yrr n ASP 273 N -3.33 -3.18 -4.83 5.36 2.03 0.36 -4.55 116.55 108.41 1yrr n ASP 273 Ca -0.26 -0.42 -0.29 0.00 0.52 0.00 0.00 54.79 54.34 1yrr n ASP 273 Cb 1.05 -2.66 0.11 0.00 -0.72 0.00 0.00 41.12 38.90 1yrr n ASP 273 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yrr s ALA 274 N -2.88 2.18 0.44 -1.67 0.00 -1.26 -4.02 121.76 114.55 1yrr s ALA 274 Ca 0.42 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.91 1yrr s ALA 274 Cb -0.23 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1yrr s ALA 274 CO 0.52 -1.95 0.11 0.95 0.00 0.00 0.00 175.76 175.40 1yrr s THR 275 N -3.36 0.64 0.27 0.00 -4.23 -0.14 -1.19 115.64 107.63 1yrr s THR 275 Ca 0.62 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.21 1yrr s THR 275 Cb -0.13 -2.27 0.32 0.00 1.34 0.00 0.00 72.50 71.76 1yrr s THR 275 CO 0.52 0.00 1.28 0.00 -0.54 0.00 0.00 174.62 175.88 1yrr n ALA 276 N -1.00 0.59 0.31 3.99 0.00 -1.24 -1.14 120.51 122.02 1yrr n ALA 276 Ca -0.09 0.86 0.20 0.00 0.00 0.00 0.00 53.44 54.41 1yrr n ALA 276 Cb 0.65 -0.72 0.98 0.00 0.00 0.00 0.00 19.45 20.36 1yrr n ALA 276 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1yrr h PRO 277 N 0.00 0.00 -6.43 0.00 0.11 -1.89 0.85 132.00 124.65 1yrr h PRO 277 Ca 0.58 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 66.15 1yrr h PRO 277 Cb 1.35 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.49 1yrr h PRO 277 CO -0.71 0.01 1.12 0.00 -0.21 0.00 0.00 178.00 178.20 1yrr s ALA 278 N -3.97 3.68 -1.15 -0.75 0.00 -0.29 -1.52 121.76 117.77 1yrr s ALA 278 Ca -0.02 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1yrr s ALA 278 Cb 0.11 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1yrr s ALA 278 CO 0.48 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 175.34 1yrr n GLY 279 N 4.25 0.61 0.56 0.00 0.00 -1.26 0.15 105.19 109.50 1yrr n GLY 279 Ca 0.18 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 45.74 1yrr n GLY 279 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yrr n ALA 280 N -0.14 -0.00 -2.86 4.61 0.00 -0.57 -4.32 120.51 117.22 1yrr n ALA 280 Ca -0.13 -0.29 -0.23 0.00 0.00 0.00 0.00 53.44 52.78 1yrr n ALA 280 Cb 0.50 0.24 -0.02 0.00 0.00 0.00 0.00 19.45 20.16 1yrr n ALA 280 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1yrr n ASN 281 N -2.28 3.46 -4.80 0.00 5.15 -1.26 -4.96 115.26 110.57 1yrr n ASN 281 Ca 0.00 -3.45 -0.38 0.00 -0.60 0.00 0.00 54.58 50.15 1yrr n ASN 281 Cb 0.10 -0.55 -0.06 0.00 -0.53 0.00 0.00 39.78 38.74 1yrr n ASN 281 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1yrr s ILE 282 N -4.14 5.04 -0.22 -1.44 -1.09 -1.26 -4.99 121.20 113.11 1yrr s ILE 282 Ca 0.45 0.92 0.12 0.00 -2.23 0.00 0.00 60.65 59.91 1yrr s ILE 282 Cb 0.34 -3.77 -0.22 0.00 -1.58 0.00 0.00 42.46 37.23 1yrr s ILE 282 CO -0.12 0.50 -0.03 1.21 -1.23 0.00 0.00 174.94 175.27 1yrr n GLU 283 N 2.41 0.71 -3.70 2.79 0.00 -1.26 -4.61 120.64 116.97 1yrr n GLU 283 Ca -0.11 0.04 -0.11 0.00 0.00 0.00 0.00 57.16 56.97 1yrr n GLU 283 Cb 0.52 -1.51 -0.06 0.00 0.00 0.00 0.00 31.44 30.39 1yrr n GLU 283 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 1yrr s GLN 284 N -2.49 0.92 0.36 5.31 -2.07 -1.26 -0.62 119.66 119.80 1yrr s GLN 284 Ca -0.18 -0.55 -0.16 0.00 -1.82 0.00 0.00 55.36 52.65 1yrr s GLN 284 Cb 0.07 0.40 0.06 0.00 -1.09 0.00 0.00 33.01 32.45 1yrr s GLN 284 CO 0.74 -0.32 0.82 -0.59 -1.32 0.00 0.00 175.29 174.62 1yrr s PHE 285 N -2.95 0.11 -0.06 9.60 -0.12 -0.15 -5.00 117.98 119.41 1yrr s PHE 285 Ca -0.02 -0.76 0.05 0.00 -0.05 0.00 0.00 56.93 56.15 1yrr s PHE 285 Cb 0.00 0.83 -0.01 0.00 -0.63 0.00 0.00 43.02 43.21 1yrr s PHE 285 CO -0.06 -1.50 -0.22 0.42 -0.05 0.00 0.00 175.22 173.81 1yrr s ILE 286 N -2.28 2.33 -0.11 -4.49 1.01 -1.26 -1.02 121.20 115.37 1yrr s ILE 286 Ca 0.16 -0.97 -0.07 0.00 0.00 0.00 0.00 60.65 59.77 1yrr s ILE 286 Cb -0.05 -1.87 0.04 0.00 0.01 0.00 0.00 42.46 40.59 1yrr s ILE 286 CO 0.11 0.57 0.27 0.12 0.00 0.00 0.00 174.94 176.00 1yrr s PHE 287 N -0.24 -0.35 -1.23 3.97 5.36 -0.31 -4.90 117.98 120.29 1yrr s PHE 287 Ca -0.01 0.81 -0.06 0.00 -0.96 0.00 0.00 56.93 56.72 1yrr s PHE 287 Cb -0.13 0.09 0.06 0.00 -0.34 0.00 0.00 43.02 42.69 1yrr s PHE 287 CO 0.03 -0.22 0.15 0.00 -1.46 0.00 0.00 175.22 173.72 1yrr n ALA 288 N 3.84 -1.46 -0.98 11.12 0.00 -1.26 -1.18 120.51 130.59 1yrr n ALA 288 Ca -0.21 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1yrr n ALA 288 Cb 0.55 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1yrr n ALA 288 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yrr n GLY 289 N -1.76 0.64 3.45 0.00 0.00 -1.26 -5.04 105.19 101.21 1yrr n GLY 289 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1yrr n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yrr s LYS 290 N -0.16 2.01 0.06 1.61 1.02 -0.33 -5.11 119.74 118.84 1yrr s LYS 290 Ca 0.00 -1.02 -0.31 0.00 0.02 0.00 0.00 55.97 54.67 1yrr s LYS 290 Cb 0.00 -2.16 -0.06 0.00 -0.52 0.00 0.00 37.83 35.10 1yrr s LYS 290 CO 0.00 0.53 1.19 0.99 -0.92 0.00 0.00 175.35 177.14 1yrr s THR 291 N -0.93 4.06 -0.05 2.17 2.01 -1.26 -1.16 115.64 120.48 1yrr s THR 291 Ca 0.15 1.48 0.06 0.00 0.31 0.00 0.00 61.69 63.69 1yrr s THR 291 Cb -0.10 -3.95 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 1yrr s THR 291 CO 0.05 0.12 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.24 1yrr s ILE 292 N 1.04 1.90 -0.04 1.82 1.01 -0.19 -4.21 121.20 122.52 1yrr s ILE 292 Ca 0.58 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 1yrr s ILE 292 Cb -0.29 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 1yrr s ILE 292 CO 0.29 0.53 0.03 -0.31 0.00 0.00 0.00 174.94 175.48 1yrr s TYR 293 N -0.21 3.19 -0.34 3.97 2.02 0.83 -0.98 117.35 125.84 1yrr s TYR 293 Ca -0.01 0.18 -0.03 0.00 -0.37 0.00 0.00 57.07 56.84 1yrr s TYR 293 Cb -0.12 -1.75 0.07 0.00 -0.40 0.00 0.00 41.96 39.75 1yrr s TYR 293 CO 0.02 0.50 0.08 -0.47 -1.57 0.00 0.00 175.55 174.11 1yrr s TYR 294 N -1.03 3.36 -0.33 2.71 5.04 0.21 -0.74 117.35 126.58 1yrr s TYR 294 Ca 0.18 -1.97 0.03 0.00 -2.44 0.00 0.00 57.07 52.87 1yrr s TYR 294 Cb -0.12 -2.47 0.16 0.00 0.35 0.00 0.00 41.96 39.89 1yrr s TYR 294 CO 0.08 -0.84 0.44 1.03 -1.34 0.00 0.00 175.55 174.92 1yrr s ARG 295 N 1.24 0.53 0.40 4.97 0.52 -0.64 -4.66 118.95 121.32 1yrr s ARG 295 Ca -0.01 -0.13 0.08 0.00 -0.52 0.00 0.00 55.73 55.15 1yrr s ARG 295 Cb -0.21 -0.31 -0.00 0.00 0.52 0.00 0.00 34.95 34.95 1yrr s ARG 295 CO -0.01 -1.10 0.50 -0.80 0.02 0.00 0.00 175.30 173.91 1yrr s ASN 296 N 2.21 5.57 0.00 0.23 0.01 -1.26 -3.76 114.94 117.94 1yrr s ASN 296 Ca 0.12 -0.45 0.00 0.00 -0.71 0.00 0.00 52.86 51.82 1yrr s ASN 296 Cb -0.12 -0.75 0.00 0.00 0.41 0.00 0.00 41.25 40.79 1yrr s ASN 296 CO -0.21 -0.66 0.00 0.61 -1.51 0.00 0.00 177.10 175.33 1yrr n GLY 297 N -1.73 2.08 3.31 0.66 0.00 -1.26 -5.01 105.19 103.23 1yrr n GLY 297 Ca 0.05 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 1yrr n GLY 297 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yrr s LEU 298 N 0.00 2.20 -0.38 0.99 1.02 -1.25 -4.76 118.68 116.51 1yrr s LEU 298 Ca 0.00 -0.45 -0.17 0.00 0.02 0.00 0.00 54.13 53.52 1yrr s LEU 298 Cb 0.00 -1.41 0.01 0.00 0.02 0.00 0.00 46.19 44.80 1yrr s LEU 298 CO 0.00 0.26 0.46 0.00 0.02 0.00 0.00 176.35 177.09 1yrr s VAL 300 N 2.26 1.17 0.70 0.00 0.11 0.08 -0.47 120.40 124.25 1yrr s VAL 300 Ca 0.15 -0.92 -0.08 0.00 -2.93 0.00 0.00 61.98 58.20 1yrr s VAL 300 Cb -0.16 -1.03 0.15 0.00 -1.53 0.00 0.00 36.38 33.81 1yrr s VAL 300 CO 0.14 0.11 0.95 -0.90 -3.33 0.00 0.00 175.10 172.06 1yrr n ASP 301 N 2.11 0.43 0.27 3.54 5.68 -0.36 -0.12 116.55 128.10 1yrr n ASP 301 Ca -0.17 -1.56 0.11 0.00 -0.50 0.00 0.00 54.79 52.67 1yrr n ASP 301 Cb 0.55 -0.69 0.76 0.00 -1.14 0.00 0.00 41.12 40.59 1yrr n ASP 301 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1yrr h GLU 302 N 0.00 0.00 -0.00 0.11 4.11 -1.91 0.63 114.58 117.52 1yrr h GLU 302 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1yrr h GLU 302 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1yrr h GLU 302 CO 0.25 0.00 -0.06 0.09 0.07 0.00 0.00 179.01 179.36 1yrr n ASN 303 N -4.24 0.42 0.00 3.06 3.02 -1.26 -4.92 115.26 111.34 1yrr n ASN 303 Ca -0.03 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 1yrr n ASN 303 Cb 0.10 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 1yrr n ASN 303 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yrr n GLY 304 N 1.21 0.74 3.73 7.41 0.00 0.22 -5.03 105.19 113.47 1yrr n GLY 304 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1yrr n GLY 304 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yrr s THR 305 N -2.62 3.76 -0.13 2.61 2.01 -1.26 -4.73 115.64 115.28 1yrr s THR 305 Ca 0.00 1.43 -0.35 0.00 0.31 0.00 0.00 61.69 63.08 1yrr s THR 305 Cb 0.00 -3.91 -0.12 0.00 0.01 0.00 0.00 72.50 68.47 1yrr s THR 305 CO 0.00 0.21 1.87 -0.11 -0.69 0.00 0.00 174.62 175.90 1yrr n LEU 306 N 2.81 3.27 -0.86 4.42 7.94 -1.26 -1.22 117.00 132.10 1yrr n LEU 306 Ca 0.05 0.97 0.02 0.00 -1.11 0.00 0.00 56.01 55.94 1yrr n LEU 306 Cb 0.45 -1.33 0.01 0.00 0.53 0.00 0.00 43.42 43.08 1yrr n LEU 306 CO 0.55 -0.12 0.18 -1.20 -1.11 0.00 0.00 177.39 175.69 1yrr n SER 307 N 6.59 0.38 0.00 1.96 7.64 0.38 -4.88 113.62 125.68 1yrr n SER 307 Ca 0.24 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 58.10 1yrr n SER 307 Cb 0.27 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1yrr n SER 307 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yrr n GLY 308 N 0.17 0.50 3.62 0.23 0.00 -1.22 -4.87 105.19 103.61 1yrr n GLY 308 Ca 0.02 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 1yrr n GLY 308 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yrr s SER 309 N 0.00 4.78 -0.15 1.61 0.15 -1.26 -4.32 113.70 114.51 1yrr s SER 309 Ca 0.00 -0.08 0.16 0.00 0.70 0.00 0.00 55.95 56.73 1yrr s SER 309 Cb 0.00 -1.18 0.48 0.00 -1.71 0.00 0.00 66.02 63.61 1yrr s SER 309 CO 0.00 0.30 1.37 -1.54 1.20 0.00 0.00 173.24 174.58 1yrr n SER 310 N 1.66 3.62 -4.77 5.45 3.41 -1.26 -0.97 113.62 120.77 1yrr n SER 310 Ca -0.16 -2.89 -0.40 0.00 -0.26 0.00 0.00 58.87 55.17 1yrr n SER 310 Cb 0.53 -0.49 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 1yrr n SER 310 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1yrr s LEU 311 N -2.58 4.37 0.28 1.04 2.96 -1.26 -4.42 118.68 119.07 1yrr s LEU 311 Ca 0.38 2.55 0.07 0.00 -0.22 0.00 0.00 54.13 56.92 1yrr s LEU 311 Cb 0.31 -3.75 -0.03 0.00 0.50 0.00 0.00 46.19 43.21 1yrr s LEU 311 CO 0.09 -0.54 0.24 0.42 -1.32 0.00 0.00 176.35 175.24 1yrr s THR 312 N -1.21 4.22 0.16 3.68 -4.23 -1.26 -4.61 115.64 112.39 1yrr s THR 312 Ca 0.51 -1.36 -0.14 0.00 -1.18 0.00 0.00 61.69 59.52 1yrr s THR 312 Cb -0.36 -3.37 0.04 0.00 1.34 0.00 0.00 72.50 70.15 1yrr s THR 312 CO 0.48 -0.29 1.74 0.24 -0.54 0.00 0.00 174.62 176.24 1yrr h MET 313 N 1.39 0.73 -0.62 3.99 0.00 -1.94 -0.93 114.93 117.54 1yrr h MET 313 Ca -0.48 -0.11 -0.03 0.00 0.00 0.00 0.00 59.70 59.09 1yrr h MET 313 Cb 1.24 -0.13 -0.03 0.00 0.00 0.00 0.00 31.60 32.68 1yrr h MET 313 CO 0.60 0.61 0.29 0.97 0.00 0.00 0.00 176.91 179.38 1yrr h ILE 314 N 0.67 1.21 -0.44 -1.22 6.09 -1.89 -0.07 117.51 121.86 1yrr h ILE 314 Ca 0.17 -0.61 -0.09 0.00 -1.37 0.00 0.00 64.86 62.97 1yrr h ILE 314 Cb 0.12 0.43 -0.02 0.00 0.47 0.00 0.00 36.82 37.82 1yrr h ILE 314 CO -0.02 0.25 -0.08 -0.33 -3.07 0.00 0.00 178.15 174.90 1yrr h GLU 315 N 0.88 0.78 -0.35 2.19 5.08 -1.74 -0.79 114.58 120.64 1yrr h GLU 315 Ca 0.22 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1yrr h GLU 315 Cb 0.11 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1yrr h GLU 315 CO -0.03 0.84 0.20 0.78 -1.00 0.00 0.00 179.01 179.80 1yrr h GLY 316 N 0.97 0.51 0.93 -3.84 0.00 -0.12 0.99 103.07 102.50 1yrr h GLY 316 Ca 0.13 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.25 1yrr h GLY 316 CO 0.03 0.21 0.09 -2.08 0.00 0.00 0.00 176.54 174.79 1yrr h VAL 317 N 0.45 1.00 -0.65 4.60 2.07 -0.85 -1.22 116.25 121.64 1yrr h VAL 317 Ca 0.12 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.59 1yrr h VAL 317 Cb 0.02 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1yrr h VAL 317 CO -0.02 0.04 0.42 -0.09 0.02 0.00 0.00 177.57 177.93 1yrr h ARG 318 N 0.19 0.82 -0.56 1.57 2.43 -0.87 -2.23 114.38 115.74 1yrr h ARG 318 Ca 0.07 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1yrr h ARG 318 Cb 0.01 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1yrr h ARG 318 CO -0.05 0.54 0.17 -0.91 -1.51 0.00 0.00 179.97 178.22 1yrr h ASN 319 N 0.85 0.82 -0.72 -3.80 2.35 -0.55 -0.02 115.58 114.51 1yrr h ASN 319 Ca 0.25 -0.21 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1yrr h ASN 319 Cb -0.06 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.06 1yrr h ASN 319 CO -0.07 0.81 0.47 -0.07 -1.65 0.00 0.00 177.43 176.92 1yrr h LEU 320 N 0.78 0.80 -0.09 1.61 3.38 -1.05 0.30 115.31 121.03 1yrr h LEU 320 Ca 0.18 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1yrr h LEU 320 Cb 0.29 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1yrr h LEU 320 CO -0.00 0.57 -0.22 0.58 0.09 0.00 0.00 178.44 179.46 1yrr h VAL 321 N 0.95 1.40 -0.04 1.22 2.07 -1.23 -2.35 116.25 118.27 1yrr h VAL 321 Ca 0.27 -1.53 -0.21 0.00 0.82 0.00 0.00 66.70 66.06 1yrr h VAL 321 Cb -0.07 2.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1yrr h VAL 321 CO -0.07 0.44 -0.84 -0.33 0.02 0.00 0.00 177.57 176.79 1yrr h GLU 322 N -0.14 0.43 -0.00 1.57 4.39 -0.97 -3.32 114.58 116.53 1yrr h GLU 322 Ca -0.00 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1yrr h GLU 322 Cb 0.81 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1yrr h GLU 322 CO 0.05 1.05 -0.18 0.72 -1.16 0.00 0.00 179.01 179.49 1yrr n HIS 323 N -3.79 0.00 0.07 4.33 8.25 0.09 -4.64 115.22 119.53 1yrr n HIS 323 Ca -0.06 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.41 1yrr n HIS 323 Cb 0.77 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.89 1yrr n HIS 323 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yrr n GLY 325 N 0.08 -0.51 3.66 0.00 0.00 -1.21 -4.80 105.19 102.41 1yrr n GLY 325 Ca 0.01 0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1yrr n GLY 325 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yrr s ILE 326 N -3.10 4.87 0.58 -0.61 1.01 -1.19 -5.07 121.20 117.70 1yrr s ILE 326 Ca 0.18 -0.01 -0.20 0.00 0.00 0.00 0.00 60.65 60.62 1yrr s ILE 326 Cb -0.08 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 1yrr s ILE 326 CO 0.22 0.47 1.33 0.00 0.00 0.00 0.00 174.94 176.96 1yrr s ALA 327 N 0.25 2.67 0.29 9.38 0.00 -1.26 -4.23 121.76 128.86 1yrr s ALA 327 Ca 0.04 1.28 0.01 0.00 0.00 0.00 0.00 51.96 53.29 1yrr s ALA 327 Cb -0.12 -3.56 0.53 0.00 0.00 0.00 0.00 23.12 19.97 1yrr s ALA 327 CO 0.00 -1.43 1.87 1.25 0.00 0.00 0.00 175.76 177.45 1yrr h LEU 328 N 1.15 0.93 -0.73 0.00 5.85 -1.97 -0.28 115.31 120.27 1yrr h LEU 328 Ca -0.51 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.19 1yrr h LEU 328 Cb 1.31 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 1yrr h LEU 328 CO 0.56 0.55 0.26 -2.24 -0.34 0.00 0.00 178.44 177.23 1yrr h ASP 329 N 1.03 1.03 -0.45 1.25 2.03 -2.00 -0.52 116.42 118.80 1yrr h ASP 329 Ca 0.45 -0.19 -0.14 0.00 -0.73 0.00 0.00 57.03 56.42 1yrr h ASP 329 Cb 0.34 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.57 1yrr h ASP 329 CO -0.20 0.94 -0.27 -0.08 -1.03 0.00 0.00 179.24 178.60 1yrr h GLU 330 N 1.06 0.98 -0.50 4.15 4.57 -1.68 -1.95 114.58 121.20 1yrr h GLU 330 Ca 0.24 -0.45 0.03 0.00 -1.18 0.00 0.00 59.36 58.00 1yrr h GLU 330 Cb 0.25 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 1yrr h GLU 330 CO -0.01 1.12 0.29 0.28 -1.18 0.00 0.00 179.01 179.51 1yrr h VAL 331 N 0.82 1.03 -0.98 0.32 2.07 -0.82 -1.31 116.25 117.38 1yrr h VAL 331 Ca 0.09 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1yrr h VAL 331 Cb 0.85 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1yrr h VAL 331 CO 0.08 0.11 0.65 -0.07 0.02 0.00 0.00 177.57 178.35 1yrr h LEU 332 N 0.58 1.12 -1.19 2.57 3.38 -0.89 -0.95 115.31 119.93 1yrr h LEU 332 Ca 0.21 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.20 1yrr h LEU 332 Cb 0.05 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 1yrr h LEU 332 CO -0.11 0.81 0.57 0.03 0.09 0.00 0.00 178.44 179.83 1yrr h ARG 333 N 1.33 0.98 0.00 1.13 3.08 -0.88 -0.95 114.38 119.08 1yrr h ARG 333 Ca 0.36 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 1yrr h ARG 333 Cb -0.15 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 29.68 1yrr h ARG 333 CO -0.08 0.65 -0.02 0.52 -1.07 0.00 0.00 179.97 179.97 1yrr h MET 334 N 1.01 0.00 -0.02 0.04 2.86 -0.03 -0.94 114.93 117.85 1yrr h MET 334 Ca 0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 1yrr h MET 334 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1yrr h MET 334 CO -0.12 0.02 -0.15 0.00 1.06 0.00 0.00 176.91 177.72 1yrr n ALA 335 N -2.19 2.79 -1.00 6.32 0.00 -0.41 -1.26 120.51 124.76 1yrr n ALA 335 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1yrr n ALA 335 Cb 0.13 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1yrr n ALA 335 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1yrr n THR 336 N 0.59 0.00 -0.21 0.00 -2.24 -0.87 -1.17 114.28 110.37 1yrr n THR 336 Ca 0.09 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.84 1yrr n THR 336 Cb 0.43 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.73 1yrr n THR 336 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1yrr h LEU 337 N 0.00 0.56 0.09 3.22 5.85 -1.34 -1.65 115.31 122.04 1yrr h LEU 337 Ca 0.00 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1yrr h LEU 337 Cb 0.00 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1yrr h LEU 337 CO 0.00 0.38 -0.04 1.88 -0.34 0.00 0.00 178.44 180.32 1yrr h TYR 338 N 0.69 -0.11 -0.40 1.25 0.05 -1.48 -1.05 116.97 115.92 1yrr h TYR 338 Ca 0.26 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.02 1yrr h TYR 338 Cb 0.09 0.04 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 1yrr h TYR 338 CO -0.07 0.38 0.16 -1.00 -1.05 0.00 0.00 178.16 176.59 1yrr h PRO 339 N -0.68 0.56 -0.23 4.88 0.13 -1.76 -1.21 132.00 133.70 1yrr h PRO 339 Ca -0.01 -0.07 0.03 0.00 -0.87 0.00 0.00 66.00 65.08 1yrr h PRO 339 Cb 0.54 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.54 1yrr h PRO 339 CO 0.02 0.46 0.04 0.00 -0.23 0.00 0.00 178.00 178.30 1yrr h ALA 340 N 1.62 0.23 -0.79 -0.56 0.00 -1.13 -2.16 119.26 116.47 1yrr h ALA 340 Ca 0.14 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1yrr h ALA 340 Cb 0.11 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1yrr h ALA 340 CO -0.01 -0.38 0.52 0.00 0.00 0.00 0.00 179.25 179.37 1yrr h ARG 341 N 0.13 1.03 -0.70 0.00 3.08 -0.96 -0.62 114.38 116.34 1yrr h ARG 341 Ca 0.10 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.14 1yrr h ARG 341 Cb 0.10 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 1yrr h ARG 341 CO -0.14 0.68 0.46 0.00 -1.07 0.00 0.00 179.97 179.90 1yrr h ALA 342 N 1.30 1.67 -0.51 0.04 0.00 -0.67 -2.20 119.26 118.88 1yrr h ALA 342 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1yrr h ALA 342 Cb -0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1yrr h ALA 342 CO -0.07 0.23 0.00 0.44 0.00 0.00 0.00 179.25 179.85 1yrr n ILE 343 N -4.47 1.20 -2.06 0.00 -5.35 -0.86 -4.99 119.36 102.83 1yrr n ILE 343 Ca 0.10 -1.09 -0.12 0.00 -0.27 0.00 0.00 62.75 61.37 1yrr n ILE 343 Cb 0.18 0.40 -0.01 0.00 -1.74 0.00 0.00 39.64 38.47 1yrr n ILE 343 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1yrr n GLY 344 N 0.90 0.15 1.12 3.28 0.00 -0.81 -4.93 105.19 104.90 1yrr n GLY 344 Ca 0.18 -0.41 0.09 0.00 0.00 0.00 0.00 46.02 45.88 1yrr n GLY 344 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1yrr n VAL 345 N -3.75 1.41 0.32 1.61 0.24 -0.30 -4.73 118.33 113.12 1yrr n VAL 345 Ca -0.14 -1.17 0.13 0.00 -2.04 0.00 0.00 64.34 61.13 1yrr n VAL 345 Cb 0.57 0.30 0.60 0.00 -1.47 0.00 0.00 33.84 33.83 1yrr n VAL 345 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1yrr h GLU 346 N 3.15 0.00 0.00 7.34 9.09 -1.70 -1.52 114.58 130.94 1yrr h GLU 346 Ca 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.35 1yrr h GLU 346 Cb 1.10 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.19 1yrr h GLU 346 CO 0.10 0.00 -0.28 0.87 0.05 0.00 0.00 179.01 179.75 1yrr h LYS 347 N 0.00 0.00 0.00 1.06 1.79 -1.92 -3.31 116.57 114.18 1yrr h LYS 347 Ca 0.00 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 1yrr h LYS 347 Cb 0.28 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.90 1yrr h LYS 347 CO 0.00 0.28 -1.75 2.89 -1.08 0.00 0.00 179.45 179.79 1yrr n ARG 348 N -3.63 1.36 -4.15 3.15 1.85 -0.70 -4.74 116.66 109.80 1yrr n ARG 348 Ca -0.01 -0.05 -0.10 0.00 -1.00 0.00 0.00 57.85 56.69 1yrr n ARG 348 Cb 0.40 -1.31 -0.10 0.00 -1.05 0.00 0.00 32.46 30.40 1yrr n ARG 348 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1yrr s LEU 349 N -4.51 2.03 0.00 2.89 1.43 -0.66 -0.40 118.68 119.47 1yrr s LEU 349 Ca -0.06 -1.15 0.00 0.00 -1.03 0.00 0.00 54.13 51.90 1yrr s LEU 349 Cb 0.06 0.20 0.00 0.00 0.03 0.00 0.00 46.19 46.48 1yrr s LEU 349 CO 0.52 -0.66 0.00 0.61 0.23 0.00 0.00 176.35 177.05 1yrr n GLY 350 N -0.07 2.07 3.16 -3.19 0.00 -1.26 -4.16 105.19 101.74 1yrr n GLY 350 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 1yrr n GLY 350 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yrr s THR 351 N -2.34 0.43 -0.52 2.61 -4.23 -1.26 -2.87 115.64 107.45 1yrr s THR 351 Ca 0.00 -1.91 -0.17 0.00 -1.18 0.00 0.00 61.69 58.43 1yrr s THR 351 Cb 0.00 -1.84 0.09 0.00 1.34 0.00 0.00 72.50 72.08 1yrr s THR 351 CO 0.00 -0.70 0.55 -0.76 -0.54 0.00 0.00 174.62 173.17 1yrr s LEU 352 N -3.05 5.49 0.06 4.79 1.43 0.53 -4.89 118.68 123.04 1yrr s LEU 352 Ca 0.17 -1.32 -0.26 0.00 -1.03 0.00 0.00 54.13 51.68 1yrr s LEU 352 Cb 0.07 -2.29 0.08 0.00 0.03 0.00 0.00 46.19 44.08 1yrr s LEU 352 CO -0.02 -0.87 0.71 0.00 0.23 0.00 0.00 176.35 176.40 1yrr s ALA 353 N 2.16 -1.71 0.24 4.21 0.00 -1.26 -4.75 121.76 120.64 1yrr s ALA 353 Ca 0.09 0.86 -0.31 0.00 0.00 0.00 0.00 51.96 52.60 1yrr s ALA 353 Cb -0.24 0.48 -0.13 0.00 0.00 0.00 0.00 23.12 23.23 1yrr s ALA 353 CO 0.07 -0.63 1.43 0.00 0.00 0.00 0.00 175.76 176.63 1yrr n ALA 354 N 0.01 1.18 0.00 0.00 0.00 -1.26 -1.96 120.51 118.48 1yrr n ALA 354 Ca -0.15 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1yrr n ALA 354 Cb 0.62 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1yrr n ALA 354 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yrr n GLY 355 N 2.22 2.75 3.81 0.00 0.00 0.10 -5.02 105.19 109.06 1yrr n GLY 355 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1yrr n GLY 355 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yrr s LYS 356 N -0.71 3.22 0.30 1.61 -0.14 -0.83 -4.79 119.74 118.41 1yrr s LYS 356 Ca 0.00 1.09 -0.30 0.00 -1.36 0.00 0.00 55.97 55.41 1yrr s LYS 356 Cb 0.00 -2.02 -0.12 0.00 -1.68 0.00 0.00 37.83 34.01 1yrr s LYS 356 CO 0.00 -0.88 1.52 0.28 -0.76 0.00 0.00 175.35 175.52 1yrr n VAL 357 N -2.40 1.26 -1.75 3.17 0.31 0.47 -0.71 118.33 118.67 1yrr n VAL 357 Ca 0.08 -0.31 -0.42 0.00 -0.01 0.00 0.00 64.34 63.68 1yrr n VAL 357 Cb 0.53 -1.86 -0.00 0.00 -0.91 0.00 0.00 33.84 31.60 1yrr n VAL 357 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yrr n ALA 358 N 1.67 5.78 -3.48 3.52 0.00 -0.46 -4.56 120.51 122.98 1yrr n ALA 358 Ca 0.07 -3.89 -0.36 0.00 0.00 0.00 0.00 53.44 49.26 1yrr n ALA 358 Cb 0.36 -3.45 -0.13 0.00 0.00 0.00 0.00 19.45 16.23 1yrr n ALA 358 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1yrr s ASN 359 N 2.78 4.95 0.05 0.00 -0.87 -1.26 -0.67 114.94 119.92 1yrr s ASN 359 Ca 0.49 -1.10 -0.01 0.00 -1.57 0.00 0.00 52.86 50.67 1yrr s ASN 359 Cb 0.14 -1.77 -0.04 0.00 -0.02 0.00 0.00 41.25 39.56 1yrr s ASN 359 CO -0.08 -0.25 -0.03 -0.76 -2.57 0.00 0.00 177.10 173.41 1yrr s LEU 360 N 1.34 2.45 0.04 0.60 1.02 -0.56 -1.13 118.68 122.44 1yrr s LEU 360 Ca -0.02 -0.92 0.00 0.00 0.02 0.00 0.00 54.13 53.21 1yrr s LEU 360 Cb -0.19 0.17 -0.03 0.00 0.02 0.00 0.00 46.19 46.16 1yrr s LEU 360 CO -0.00 -0.54 -0.04 0.28 0.02 0.00 0.00 176.35 176.07 1yrr s THR 361 N -3.49 0.26 0.06 5.49 -1.32 -0.31 -0.90 115.64 115.43 1yrr s THR 361 Ca 0.03 -1.38 0.07 0.00 -1.21 0.00 0.00 61.69 59.20 1yrr s THR 361 Cb 0.05 -0.93 -0.03 0.00 -1.51 0.00 0.00 72.50 70.08 1yrr s THR 361 CO -0.08 -0.72 -0.19 0.00 -2.21 0.00 0.00 174.62 171.42 1yrr s ALA 362 N -2.62 1.57 0.02 11.08 0.00 -0.04 -0.33 121.76 131.44 1yrr s ALA 362 Ca -0.04 -1.03 -0.13 0.00 0.00 0.00 0.00 51.96 50.76 1yrr s ALA 362 Cb -0.02 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1yrr s ALA 362 CO -0.05 0.33 0.28 -0.59 0.00 0.00 0.00 175.76 175.73 1yrr s PHE 363 N -0.91 -0.10 0.83 0.00 -0.12 -0.23 -0.99 117.98 116.45 1yrr s PHE 363 Ca 0.05 0.03 -0.12 0.00 -0.05 0.00 0.00 56.93 56.85 1yrr s PHE 363 Cb -0.09 0.07 0.09 0.00 -0.63 0.00 0.00 43.02 42.46 1yrr s PHE 363 CO 0.02 -0.44 1.10 0.95 -0.05 0.00 0.00 175.22 176.80 1yrr s THR 364 N -2.08 2.89 -0.16 -4.49 -4.23 -0.25 -1.24 115.64 106.09 1yrr s THR 364 Ca -0.08 0.29 0.23 0.00 -1.18 0.00 0.00 61.69 60.95 1yrr s THR 364 Cb -0.03 -2.98 0.23 0.00 1.34 0.00 0.00 72.50 71.06 1yrr s THR 364 CO -0.01 -0.38 1.71 -0.65 -0.54 0.00 0.00 174.62 174.75 1yrr h PRO 365 N -1.22 0.00 -0.40 3.99 0.11 -1.91 0.16 132.00 132.73 1yrr h PRO 365 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1yrr h PRO 365 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1yrr h PRO 365 CO 0.59 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.91 1yrr n ASP 366 N -2.31 2.07 -1.80 -2.05 -0.08 -1.26 -4.94 116.55 106.18 1yrr n ASP 366 Ca -0.01 -2.03 -0.14 0.00 -1.51 0.00 0.00 54.79 51.09 1yrr n ASP 366 Cb 0.05 -0.27 0.01 0.00 2.34 0.00 0.00 41.12 43.24 1yrr n ASP 366 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1yrr n PHE 367 N 0.57 -0.96 -3.67 -0.67 3.01 0.55 -5.01 117.46 111.28 1yrr n PHE 367 Ca 0.12 0.16 -0.37 0.00 1.01 0.00 0.00 57.45 58.38 1yrr n PHE 367 Cb 0.34 -3.13 -0.10 0.00 -0.01 0.00 0.00 39.48 36.58 1yrr n PHE 367 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1yrr s LYS 368 N -4.97 4.01 0.17 -1.08 2.20 -1.26 -4.87 119.74 113.95 1yrr s LYS 368 Ca 0.09 -0.30 -0.32 0.00 -0.36 0.00 0.00 55.97 55.09 1yrr s LYS 368 Cb -0.04 -3.54 -0.10 0.00 -1.51 0.00 0.00 37.83 32.64 1yrr s LYS 368 CO 0.12 0.00 1.58 0.42 -0.36 0.00 0.00 175.35 177.11 1yrr s ILE 369 N 1.21 2.55 -0.06 5.43 -1.09 -1.26 -1.09 121.20 126.88 1yrr s ILE 369 Ca 0.07 0.39 0.06 0.00 -2.23 0.00 0.00 60.65 58.94 1yrr s ILE 369 Cb -0.14 -3.25 -0.08 0.00 -1.58 0.00 0.00 42.46 37.41 1yrr s ILE 369 CO 0.06 0.03 0.02 0.35 -1.23 0.00 0.00 174.94 174.17 1yrr n THR 370 N 3.92 0.44 -3.84 2.92 -2.24 -0.17 -4.58 114.28 110.73 1yrr n THR 370 Ca 0.14 -0.27 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 1yrr n THR 370 Cb 0.38 -0.83 -0.12 0.00 -2.10 0.00 0.00 70.33 67.66 1yrr n THR 370 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1yrr s LYS 371 N -2.15 0.26 -0.06 -0.78 1.02 -1.12 -0.77 119.74 116.14 1yrr s LYS 371 Ca -0.03 -0.01 0.02 0.00 0.02 0.00 0.00 55.97 55.97 1yrr s LYS 371 Cb 0.02 0.12 0.02 0.00 -0.52 0.00 0.00 37.83 37.46 1yrr s LYS 371 CO 0.26 -0.05 -0.10 0.99 -0.92 0.00 0.00 175.35 175.54 1yrr s THR 372 N -0.41 0.93 -0.10 2.17 2.01 -0.70 -0.86 115.64 118.68 1yrr s THR 372 Ca -0.05 -0.36 0.04 0.00 0.31 0.00 0.00 61.69 61.62 1yrr s THR 372 Cb -0.03 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.61 1yrr s THR 372 CO 0.01 0.31 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.39 1yrr s ILE 373 N 0.71 1.96 -0.10 1.82 1.01 -0.07 -0.40 121.20 126.13 1yrr s ILE 373 Ca -0.13 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.57 1yrr s ILE 373 Cb -0.15 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.63 1yrr s ILE 373 CO 0.03 0.54 -0.11 -0.69 0.00 0.00 0.00 174.94 174.70 1yrr s VAL 374 N 0.42 1.19 -1.61 2.92 1.01 -0.32 -1.50 120.40 122.51 1yrr s VAL 374 Ca -0.17 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 1yrr s VAL 374 Cb -0.18 -1.14 0.12 0.00 0.00 0.00 0.00 36.38 35.19 1yrr s VAL 374 CO 0.07 0.38 0.87 0.59 0.00 0.00 0.00 175.10 177.02 1yrr n ASN 375 N 4.41 -3.88 0.00 3.32 3.02 -0.86 -1.16 115.26 120.12 1yrr n ASN 375 Ca -0.18 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 1yrr n ASN 375 Cb 0.51 -3.30 0.00 0.00 -0.61 0.00 0.00 39.78 36.38 1yrr n ASN 375 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yrr n GLY 376 N -1.55 2.38 3.72 7.41 0.00 0.15 -4.28 105.19 113.02 1yrr n GLY 376 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1yrr n GLY 376 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yrr s ASN 377 N -3.63 6.28 -0.07 1.61 0.01 -0.31 -4.96 114.94 113.87 1yrr s ASN 377 Ca 0.00 0.32 -0.30 0.00 -0.71 0.00 0.00 52.86 52.17 1yrr s ASN 377 Cb 0.00 -2.13 -0.05 0.00 0.41 0.00 0.00 41.25 39.48 1yrr s ASN 377 CO 0.00 0.14 1.67 -0.70 -1.51 0.00 0.00 177.10 176.70 1yrr s GLU 378 N 0.48 4.12 -0.00 -0.60 2.12 -1.26 -1.18 118.70 122.38 1yrr s GLU 378 Ca 0.11 2.15 0.05 0.00 0.36 0.00 0.00 54.97 57.64 1yrr s GLU 378 Cb -0.12 -4.00 -0.05 0.00 0.26 0.00 0.00 34.13 30.21 1yrr s GLU 378 CO 0.01 -0.92 0.21 1.33 -0.54 0.00 0.00 175.26 175.35 1yrr n VAL 379 N 5.62 0.00 -3.69 3.70 0.24 0.47 -4.93 118.33 119.74 1yrr n VAL 379 Ca 0.18 -0.37 -0.15 0.00 -2.04 0.00 0.00 64.34 61.96 1yrr n VAL 379 Cb 0.43 0.98 -0.14 0.00 -1.47 0.00 0.00 33.84 33.63 1yrr n VAL 379 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1yrr s VAL 380 N -1.50 -0.23 -0.17 3.34 1.01 -1.17 -4.95 120.40 116.73 1yrr s VAL 380 Ca 0.02 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1yrr s VAL 380 Cb 0.04 -0.33 0.04 0.00 0.00 0.00 0.00 36.38 36.12 1yrr s VAL 380 CO 0.21 0.12 -0.08 -0.89 0.00 0.00 0.00 175.10 174.45 1yrr s THR 381 N 1.98 1.31 0.00 3.92 2.01 -1.26 -1.72 115.64 121.88 1yrr s THR 381 Ca -0.01 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.27 1yrr s THR 381 Cb -0.12 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 70.97 1yrr s THR 381 CO -0.07 0.19 0.00 0.00 -0.69 0.00 0.00 174.62 174.06