#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d2u s VAL 2 N 0.00 -0.53 -0.31 1.59 0.11 -1.26 -2.43 120.40 117.57 3d2u s VAL 2 Ca 0.00 0.22 -0.08 0.00 -2.93 0.00 0.00 61.98 59.19 3d2u s VAL 2 Cb 0.00 -0.56 0.01 0.00 -1.53 0.00 0.00 36.38 34.30 3d2u s VAL 2 CO 0.00 0.09 0.12 -0.22 -3.33 0.00 0.00 175.10 171.76 3d2u s LEU 3 N 2.52 4.07 -0.01 2.54 2.96 -0.94 -1.04 118.68 128.77 3d2u s LEU 3 Ca 0.00 -0.68 0.07 0.00 -0.22 0.00 0.00 54.13 53.30 3d2u s LEU 3 Cb -0.12 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 3d2u s LEU 3 CO -0.11 -0.22 -0.22 -0.60 -1.32 0.00 0.00 176.35 173.89 3d2u s ARG 4 N 1.55 1.69 -0.08 1.98 3.52 0.92 -1.31 118.95 127.22 3d2u s ARG 4 Ca 0.03 -0.80 0.04 0.00 -0.13 0.00 0.00 55.73 54.87 3d2u s ARG 4 Cb -0.17 -1.67 0.00 0.00 -1.56 0.00 0.00 34.95 31.55 3d2u s ARG 4 CO 0.04 0.45 -0.21 0.71 -0.81 0.00 0.00 175.30 175.48 3d2u s TYR 5 N -0.56 2.26 -0.13 5.12 2.02 -0.54 0.68 117.35 126.21 3d2u s TYR 5 Ca 0.08 -0.86 0.01 0.00 -0.37 0.00 0.00 57.07 55.93 3d2u s TYR 5 Cb -0.08 -1.53 -0.01 0.00 -0.40 0.00 0.00 41.96 39.94 3d2u s TYR 5 CO -0.00 -0.34 -0.16 0.20 -1.57 0.00 0.00 175.55 173.67 3d2u s GLY 6 N 0.30 1.48 -0.16 0.71 0.00 0.76 -2.45 107.32 107.96 3d2u s GLY 6 Ca -0.15 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.64 3d2u s GLY 6 CO 0.07 -0.17 -0.17 -0.19 0.00 0.00 0.00 173.10 172.64 3d2u s TYR 7 N 0.46 2.77 -0.26 1.90 1.51 0.83 -0.84 117.35 123.71 3d2u s TYR 7 Ca -0.11 -1.23 0.03 0.00 -1.01 0.00 0.00 57.07 54.74 3d2u s TYR 7 Cb -0.16 -1.90 0.06 0.00 -0.11 0.00 0.00 41.96 39.85 3d2u s TYR 7 CO 0.05 -0.58 -0.10 0.99 -1.11 0.00 0.00 175.55 174.79 3d2u s THR 8 N 0.97 2.21 -0.30 -0.71 2.01 -0.64 -1.08 115.64 118.09 3d2u s THR 8 Ca -0.03 -1.64 -0.05 0.00 0.31 0.00 0.00 61.69 60.29 3d2u s THR 8 Cb -0.15 -2.31 0.03 0.00 0.01 0.00 0.00 72.50 70.09 3d2u s THR 8 CO -0.03 -0.04 0.05 -0.83 -0.69 0.00 0.00 174.62 173.08 3d2u s GLY 9 N 1.11 1.78 -0.17 4.40 0.00 0.27 -1.75 107.32 112.95 3d2u s GLY 9 Ca -0.09 -1.61 -0.08 0.00 0.00 0.00 0.00 44.72 42.94 3d2u s GLY 9 CO -0.05 0.68 0.12 -0.42 0.00 0.00 0.00 173.10 173.43 3d2u s ILE 10 N 1.40 5.30 -0.26 0.90 1.09 0.80 -0.97 121.20 129.46 3d2u s ILE 10 Ca -0.01 0.14 -0.07 0.00 -1.10 0.00 0.00 60.65 59.62 3d2u s ILE 10 Cb -0.18 -3.37 -0.02 0.00 -1.06 0.00 0.00 42.46 37.83 3d2u s ILE 10 CO 0.01 0.51 0.07 0.12 -0.10 0.00 0.00 174.94 175.54 3d2u s PHE 11 N -0.12 3.09 -0.10 3.97 5.36 -0.63 -1.31 117.98 128.23 3d2u s PHE 11 Ca 0.10 -0.59 -0.03 0.00 -0.96 0.00 0.00 56.93 55.44 3d2u s PHE 11 Cb -0.12 -2.24 -0.05 0.00 -0.34 0.00 0.00 43.02 40.27 3d2u s PHE 11 CO 0.00 -0.43 -0.12 -0.25 -1.46 0.00 0.00 175.22 172.96 3d2u n ASP 12 N 4.91 1.57 -4.13 6.13 8.00 0.25 -4.60 116.55 128.68 3d2u n ASP 12 Ca -0.16 0.07 -0.22 0.00 0.71 0.00 0.00 54.79 55.19 3d2u n ASP 12 Cb 0.50 -0.26 -0.09 0.00 -0.02 0.00 0.00 41.12 41.25 3d2u n ASP 12 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3d2u s ASP 13 N -5.63 2.20 0.44 -2.24 1.11 -0.35 -4.93 116.67 107.27 3d2u s ASP 13 Ca -0.14 -1.57 0.29 0.00 0.18 0.00 0.00 52.55 51.30 3d2u s ASP 13 Cb 0.05 0.35 1.00 0.00 1.07 0.00 0.00 42.92 45.39 3d2u s ASP 13 CO 0.20 -0.85 1.83 0.71 1.18 0.00 0.00 175.17 178.24 3d2u h THR 14 N 2.02 0.00 -0.04 -1.27 1.35 -2.02 -2.97 112.91 109.97 3d2u h THR 14 Ca -0.36 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 3d2u h THR 14 Cb 1.26 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 3d2u h THR 14 CO 0.57 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.30 3d2u n SER 15 N -2.87 1.70 -3.82 5.36 3.41 -1.26 -4.93 113.62 111.21 3d2u n SER 15 Ca 0.02 -1.52 -0.30 0.00 -0.26 0.00 0.00 58.87 56.81 3d2u n SER 15 Cb 0.36 -0.03 -0.15 0.00 -0.26 0.00 0.00 64.21 64.13 3d2u n SER 15 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3d2u s HIS 16 N -0.59 2.13 0.01 7.33 4.02 -1.12 -3.99 115.29 123.08 3d2u s HIS 16 Ca 0.05 -1.90 0.00 0.00 1.02 0.00 0.00 55.06 54.24 3d2u s HIS 16 Cb 0.03 -1.86 -0.01 0.00 -1.02 0.00 0.00 32.58 29.72 3d2u s HIS 16 CO 0.04 -0.85 -0.02 -1.64 1.02 0.00 0.00 174.74 173.28 3d2u s MET 17 N 1.47 0.18 0.06 1.40 -1.94 -1.26 -0.58 119.30 118.63 3d2u s MET 17 Ca 0.07 -0.22 0.07 0.00 -1.71 0.00 0.00 55.69 53.90 3d2u s MET 17 Cb -0.18 -0.07 -0.03 0.00 2.01 0.00 0.00 34.83 36.56 3d2u s MET 17 CO -0.18 0.01 -0.19 0.99 -0.01 0.00 0.00 175.02 175.64 3d2u s THR 18 N -0.43 1.57 -0.04 2.05 2.01 -0.43 -1.01 115.64 119.36 3d2u s THR 18 Ca -0.04 -1.24 0.01 0.00 0.31 0.00 0.00 61.69 60.73 3d2u s THR 18 Cb -0.03 -1.39 0.02 0.00 0.01 0.00 0.00 72.50 71.11 3d2u s THR 18 CO -0.00 0.10 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.78 3d2u s LEU 19 N -1.35 1.33 -0.10 4.42 2.96 -0.71 -0.14 118.68 125.10 3d2u s LEU 19 Ca 0.06 -0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 53.87 3d2u s LEU 19 Cb -0.09 -0.37 0.03 0.00 0.50 0.00 0.00 46.19 46.26 3d2u s LEU 19 CO 0.02 -0.06 -0.04 0.42 -1.32 0.00 0.00 176.35 175.38 3d2u s THR 20 N 0.86 0.72 -0.06 3.68 -4.23 -0.72 -2.01 115.64 113.88 3d2u s THR 20 Ca -0.11 -0.10 0.05 0.00 -1.18 0.00 0.00 61.69 60.35 3d2u s THR 20 Cb -0.14 -0.81 -0.01 0.00 1.34 0.00 0.00 72.50 72.88 3d2u s THR 20 CO -0.00 0.31 -0.23 0.54 -0.54 0.00 0.00 174.62 174.70 3d2u s VAL 21 N 1.83 2.27 -0.02 2.29 0.11 0.16 -1.62 120.40 125.43 3d2u s VAL 21 Ca 0.05 -0.99 0.07 0.00 -2.93 0.00 0.00 61.98 58.18 3d2u s VAL 21 Cb -0.12 -1.84 -0.02 0.00 -1.53 0.00 0.00 36.38 32.86 3d2u s VAL 21 CO -0.07 0.57 -0.24 0.68 -3.33 0.00 0.00 175.10 172.71 3d2u s VAL 22 N -0.19 1.92 -0.12 2.04 -7.23 -0.02 -0.18 120.40 116.62 3d2u s VAL 22 Ca -0.02 -1.04 -0.04 0.00 -1.81 0.00 0.00 61.98 59.08 3d2u s VAL 22 Cb -0.13 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 3d2u s VAL 22 CO 0.03 0.54 0.02 -0.83 -0.31 0.00 0.00 175.10 174.56 3d2u s GLY 23 N -0.52 1.88 -0.06 2.32 0.00 0.74 -0.17 107.32 111.50 3d2u s GLY 23 Ca 0.08 -0.78 0.01 0.00 0.00 0.00 0.00 44.72 44.03 3d2u s GLY 23 CO -0.00 -0.37 -0.07 -0.42 0.00 0.00 0.00 173.10 172.23 3d2u s ILE 24 N -0.52 0.76 -0.17 0.90 1.01 0.21 -1.98 121.20 121.41 3d2u s ILE 24 Ca 0.09 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.53 3d2u s ILE 24 Cb -0.12 -0.76 0.03 0.00 0.01 0.00 0.00 42.46 41.62 3d2u s ILE 24 CO 0.02 0.28 -0.15 0.12 0.00 0.00 0.00 174.94 175.21 3d2u s PHE 25 N 1.04 2.47 -1.50 3.97 5.36 0.04 -0.05 117.98 129.30 3d2u s PHE 25 Ca -0.09 -1.48 -0.10 0.00 -0.96 0.00 0.00 56.93 54.30 3d2u s PHE 25 Cb -0.14 -1.73 0.07 0.00 -0.34 0.00 0.00 43.02 40.88 3d2u s PHE 25 CO -0.00 -0.74 0.80 -0.25 -1.46 0.00 0.00 175.22 173.57 3d2u n ASP 26 N 4.69 -3.07 0.00 6.13 8.00 -0.20 -1.03 116.55 131.06 3d2u n ASP 26 Ca -0.18 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.46 3d2u n ASP 26 Cb 0.49 -3.60 0.00 0.00 -0.02 0.00 0.00 41.12 37.99 3d2u n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d2u n GLY 27 N -1.66 1.66 3.61 0.44 0.00 -1.26 -4.87 105.19 103.11 3d2u n GLY 27 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 3d2u n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d2u s GLN 28 N -0.02 3.97 -0.50 1.61 -0.21 -0.19 -5.02 119.66 119.29 3d2u s GLN 28 Ca 0.00 -0.33 -0.29 0.00 0.02 0.00 0.00 55.36 54.77 3d2u s GLN 28 Cb 0.00 -3.42 0.03 0.00 1.00 0.00 0.00 33.01 30.61 3d2u s GLN 28 CO 0.00 0.07 1.21 -1.58 -2.12 0.00 0.00 175.29 172.86 3d2u s HIS 29 N 1.00 2.67 -0.10 0.91 5.65 -1.26 -0.78 115.29 123.38 3d2u s HIS 29 Ca 0.06 0.61 0.09 0.00 0.25 0.00 0.00 55.06 56.07 3d2u s HIS 29 Cb -0.14 -4.45 -0.13 0.00 -1.18 0.00 0.00 32.58 26.69 3d2u s HIS 29 CO 0.04 -1.50 0.23 1.97 -0.65 0.00 0.00 174.74 174.83 3d2u n PHE 30 N 8.25 0.00 -3.99 3.88 -1.74 -0.84 -4.24 117.46 118.78 3d2u n PHE 30 Ca 0.12 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.88 3d2u n PHE 30 Cb 0.49 -0.16 -0.13 0.00 1.52 0.00 0.00 39.48 41.20 3d2u n PHE 30 CO 0.00 0.00 0.00 0.12 -0.56 0.00 0.00 176.76 176.32 3d2u s PHE 31 N -2.45 0.27 -0.04 2.97 5.36 -1.17 -0.42 117.98 122.51 3d2u s PHE 31 Ca -0.02 -0.22 -0.03 0.00 -0.96 0.00 0.00 56.93 55.70 3d2u s PHE 31 Cb 0.06 -0.17 0.02 0.00 -0.34 0.00 0.00 43.02 42.58 3d2u s PHE 31 CO 0.37 -0.06 0.10 0.99 -1.46 0.00 0.00 175.22 175.15 3d2u s THR 32 N -0.58 -0.02 -0.09 0.12 2.01 -0.96 -0.19 115.64 115.94 3d2u s THR 32 Ca -0.05 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.03 3d2u s THR 32 Cb -0.04 -0.15 0.01 0.00 0.01 0.00 0.00 72.50 72.33 3d2u s THR 32 CO -0.00 0.02 -0.14 -0.47 -0.69 0.00 0.00 174.62 173.34 3d2u s TYR 33 N 0.40 1.78 0.04 4.92 5.04 0.74 -1.78 117.35 128.49 3d2u s TYR 33 Ca -0.03 -0.77 0.03 0.00 -2.44 0.00 0.00 57.07 53.86 3d2u s TYR 33 Cb -0.04 -1.29 -0.02 0.00 0.35 0.00 0.00 41.96 40.95 3d2u s TYR 33 CO -0.02 -0.40 -0.09 -1.58 -1.34 0.00 0.00 175.55 172.13 3d2u s HIS 34 N 0.86 0.80 -0.18 4.97 5.65 -0.80 0.39 115.29 126.98 3d2u s HIS 34 Ca -0.10 -0.42 -0.29 0.00 0.25 0.00 0.00 55.06 54.51 3d2u s HIS 34 Cb -0.15 -0.48 0.11 0.00 -1.18 0.00 0.00 32.58 30.88 3d2u s HIS 34 CO 0.01 -0.03 0.95 0.54 -0.65 0.00 0.00 174.74 175.55 3d2u s VAL 35 N -1.11 0.00 0.04 0.89 0.11 -0.85 -1.85 120.40 117.62 3d2u s VAL 35 Ca -0.05 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.04 3d2u s VAL 35 Cb -0.09 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.74 3d2u s VAL 35 CO 0.01 0.00 -0.14 -1.10 -3.33 0.00 0.00 175.10 170.54 3d2u s GLN 36 N -0.69 0.91 0.23 1.54 -0.21 -1.26 -1.74 119.66 118.43 3d2u s GLN 36 Ca -0.02 -0.73 -0.08 0.00 0.02 0.00 0.00 55.36 54.55 3d2u s GLN 36 Cb -0.02 -0.90 0.24 0.00 1.00 0.00 0.00 33.01 33.33 3d2u s GLN 36 CO 0.01 0.22 1.88 0.77 -2.12 0.00 0.00 175.29 176.05 3d2u h SER 37 N 4.97 0.90 -0.03 5.90 0.02 -1.35 -2.92 113.55 121.05 3d2u h SER 37 Ca -0.38 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.59 3d2u h SER 37 Cb 1.18 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.46 3d2u h SER 37 CO 0.44 0.63 -0.48 0.28 -1.14 0.00 0.00 176.83 176.56 3d2u h SER 38 N 1.06 -1.50 -1.08 3.07 0.02 -1.83 -3.41 113.55 109.87 3d2u h SER 38 Ca 0.33 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 3d2u h SER 38 Cb -0.02 0.57 0.00 0.00 0.14 0.00 0.00 62.40 63.09 3d2u h SER 38 CO -0.10 -0.46 0.00 -0.67 -1.14 0.00 0.00 176.83 174.46 3d2u n ASP 39 N -5.13 0.00 0.00 3.07 -0.08 -1.11 -4.98 116.55 108.32 3d2u n ASP 39 Ca -0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 3d2u n ASP 39 Cb 0.35 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.81 3d2u n ASP 39 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 3d2u n LYS 40 N 0.00 0.00 0.02 -0.67 4.81 -1.21 -4.50 118.16 116.61 3d2u n LYS 40 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.23 3d2u n LYS 40 Cb 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 34.91 3d2u n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3d2u h ALA 41 N 0.00 0.04 0.00 3.14 0.00 -1.94 -2.95 119.26 117.55 3d2u h ALA 41 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.03 3d2u h ALA 41 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3d2u h ALA 41 CO 0.00 0.58 0.00 0.43 0.00 0.00 0.00 179.25 180.26 3d2u n SER 42 N -4.05 1.29 -4.77 0.00 7.64 -1.26 -4.80 113.62 107.67 3d2u n SER 42 Ca -0.19 -1.40 -0.39 0.00 1.01 0.00 0.00 58.87 57.90 3d2u n SER 42 Cb 0.85 -0.35 -0.01 0.00 -1.01 0.00 0.00 64.21 63.69 3d2u n SER 42 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3d2u s SER 43 N 0.25 6.32 0.09 6.43 1.04 -1.12 -4.89 113.70 121.82 3d2u s SER 43 Ca 0.00 2.52 0.03 0.00 0.48 0.00 0.00 55.95 58.98 3d2u s SER 43 Cb 0.00 -2.63 -0.03 0.00 0.10 0.00 0.00 66.02 63.46 3d2u s SER 43 CO 0.00 -0.83 -0.09 0.00 0.98 0.00 0.00 173.24 173.29 3d2u s ARG 44 N -2.33 0.80 -0.14 4.02 1.70 -0.77 -5.02 118.95 117.21 3d2u s ARG 44 Ca 0.58 -1.12 -0.02 0.00 -0.47 0.00 0.00 55.73 54.70 3d2u s ARG 44 Cb -0.35 -0.47 0.05 0.00 -0.57 0.00 0.00 34.95 33.61 3d2u s ARG 44 CO 0.44 0.07 0.03 0.00 -1.08 0.00 0.00 175.30 174.75 3d2u s ALA 45 N -2.40 0.83 0.07 7.88 0.00 -1.26 -1.91 121.76 124.96 3d2u s ALA 45 Ca 0.04 -0.42 0.06 0.00 0.00 0.00 0.00 51.96 51.63 3d2u s ALA 45 Cb -0.03 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 3d2u s ALA 45 CO -0.00 -0.87 -0.16 -0.80 0.00 0.00 0.00 175.76 173.93 3d2u s ASN 46 N 1.93 1.89 0.36 0.00 -0.87 -0.74 -4.96 114.94 112.55 3d2u s ASN 46 Ca 0.02 -0.59 -0.21 0.00 -1.57 0.00 0.00 52.86 50.51 3d2u s ASN 46 Cb -0.15 -0.09 -0.10 0.00 -0.02 0.00 0.00 41.25 40.90 3d2u s ASN 46 CO -0.07 -0.02 0.87 -0.83 -2.57 0.00 0.00 177.10 174.49 3d2u s GLY 47 N -1.63 2.50 -0.08 0.66 0.00 -1.26 -2.26 107.32 105.25 3d2u s GLY 47 Ca 0.01 0.32 0.12 0.00 0.00 0.00 0.00 44.72 45.17 3d2u s GLY 47 CO 0.02 0.63 1.10 -1.30 0.00 0.00 0.00 173.10 173.56 3d2u n THR 48 N -0.13 1.10 -3.77 0.90 -2.24 0.44 -4.91 114.28 105.66 3d2u n THR 48 Ca 0.04 -1.45 -0.13 0.00 -2.27 0.00 0.00 64.05 60.24 3d2u n THR 48 Cb 0.53 0.12 -0.08 0.00 -2.10 0.00 0.00 70.33 68.79 3d2u n THR 48 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3d2u s ILE 49 N -1.66 0.07 0.29 2.28 2.07 -1.26 -4.74 121.20 118.25 3d2u s ILE 49 Ca 0.21 -0.56 0.03 0.00 -1.41 0.00 0.00 60.65 58.92 3d2u s ILE 49 Cb 0.20 -0.70 0.29 0.00 0.13 0.00 0.00 42.46 42.38 3d2u s ILE 49 CO -0.01 -0.31 1.82 0.77 -1.91 0.00 0.00 174.94 175.31 3d2u h SER 50 N 3.71 0.89 0.42 4.50 4.64 -1.94 -1.87 113.55 123.88 3d2u h SER 50 Ca -0.30 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3d2u h SER 50 Cb 1.18 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3d2u h SER 50 CO 0.42 0.43 0.00 -2.67 -0.87 0.00 0.00 176.83 174.14 3d2u n TRP 51 N -4.65 0.29 0.48 4.77 4.27 -1.26 -1.78 117.44 119.57 3d2u n TRP 51 Ca 0.20 0.13 0.12 0.00 -3.89 0.00 0.00 57.50 54.06 3d2u n TRP 51 Cb 0.41 -0.70 0.46 0.00 -1.36 0.00 0.00 31.31 30.12 3d2u n TRP 51 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 3d2u n MET 52 N -1.78 0.21 -0.09 -2.67 2.81 -0.70 -1.77 117.12 113.13 3d2u n MET 52 Ca 0.02 0.35 -0.14 0.00 -1.81 0.00 0.00 57.70 56.12 3d2u n MET 52 Cb 0.14 -1.84 -0.04 0.00 -0.71 0.00 0.00 33.22 30.77 3d2u n MET 52 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3d2u h ALA 53 N 2.36 0.46 -0.59 3.04 0.00 -1.51 -0.53 119.26 122.49 3d2u h ALA 53 Ca 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3d2u h ALA 53 Cb 0.48 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3d2u h ALA 53 CO 0.00 0.59 0.12 -0.91 0.00 0.00 0.00 179.25 179.06 3d2u h ASN 54 N 0.60 0.88 -0.07 0.00 -0.26 -1.50 -0.23 115.58 115.00 3d2u h ASN 54 Ca 0.03 -0.18 -0.00 0.00 -0.56 0.00 0.00 56.30 55.59 3d2u h ASN 54 Cb 1.03 -0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 38.06 3d2u h ASN 54 CO 0.10 0.87 0.04 0.58 -1.06 0.00 0.00 177.43 177.95 3d2u h VAL 55 N 0.89 1.07 -0.76 2.81 2.07 -1.14 -2.20 116.25 118.99 3d2u h VAL 55 Ca 0.19 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 3d2u h VAL 55 Cb 0.35 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3d2u h VAL 55 CO 0.00 0.06 0.27 0.28 0.02 0.00 0.00 177.57 178.21 3d2u h SER 56 N 0.03 1.07 0.14 0.57 0.02 -0.61 0.11 113.55 114.88 3d2u h SER 56 Ca 0.02 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.74 3d2u h SER 56 Cb 0.07 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 3d2u h SER 56 CO -0.00 0.97 -0.19 0.00 -1.14 0.00 0.00 176.83 176.46 3d2u h ALA 57 N 1.18 1.57 0.00 3.77 0.00 -0.96 -2.06 119.26 122.76 3d2u h ALA 57 Ca 0.25 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3d2u h ALA 57 Cb 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3d2u h ALA 57 CO -0.01 0.32 -0.93 0.00 0.00 0.00 0.00 179.25 178.62 3d2u h ALA 58 N 1.72 0.63 -2.53 0.00 0.00 -0.88 -3.39 119.26 114.80 3d2u h ALA 58 Ca 0.02 -0.30 -0.60 0.00 0.00 0.00 0.00 54.91 54.03 3d2u h ALA 58 Cb 0.40 0.07 -0.39 0.00 0.00 0.00 0.00 17.79 17.87 3d2u h ALA 58 CO 0.03 0.34 -0.89 0.71 0.00 0.00 0.00 179.25 179.44 3d2u s TYR 59 N -3.17 1.55 0.58 0.00 1.51 0.33 -5.02 117.35 113.13 3d2u s TYR 59 Ca 0.00 -2.47 0.29 0.00 -1.01 0.00 0.00 57.07 53.88 3d2u s TYR 59 Cb 0.08 -1.28 1.49 0.00 -0.11 0.00 0.00 41.96 42.14 3d2u s TYR 59 CO 0.78 -0.78 1.92 -1.35 -1.11 0.00 0.00 175.55 175.01 3d2u h PRO 60 N 5.72 0.00 -0.29 -1.71 0.11 -1.59 -2.10 132.00 132.14 3d2u h PRO 60 Ca 0.22 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.29 3d2u h PRO 60 Cb 0.89 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 3d2u h PRO 60 CO 0.43 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.47 3d2u n THR 61 N -3.81 2.35 0.18 -1.15 -2.24 -1.26 -4.67 114.28 103.68 3d2u n THR 61 Ca 0.09 -2.03 -0.14 0.00 -2.27 0.00 0.00 64.05 59.69 3d2u n THR 61 Cb 0.66 -0.27 -0.08 0.00 -2.10 0.00 0.00 70.33 68.53 3d2u n THR 61 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3d2u h TYR 62 N 1.63 -0.40 -0.48 4.78 3.20 -1.72 -2.00 116.97 121.98 3d2u h TYR 62 Ca 0.05 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 3d2u h TYR 62 Cb 1.51 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.89 3d2u h TYR 62 CO 0.60 -0.15 0.10 -0.07 -1.64 0.00 0.00 178.16 177.01 3d2u h LEU 63 N -0.59 0.69 -0.74 2.82 3.38 -1.83 -1.23 115.31 117.81 3d2u h LEU 63 Ca -0.04 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 3d2u h LEU 63 Cb 0.43 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3d2u h LEU 63 CO 0.07 0.69 -0.28 0.44 0.09 0.00 0.00 178.44 179.46 3d2u h ASP 64 N 0.71 0.68 0.69 -0.43 3.45 -1.86 -1.72 116.42 117.94 3d2u h ASP 64 Ca 0.16 -0.26 -0.03 0.00 0.43 0.00 0.00 57.03 57.33 3d2u h ASP 64 Cb 0.29 -0.19 0.01 0.00 -0.56 0.00 0.00 39.33 38.88 3d2u h ASP 64 CO 0.00 0.92 -0.33 1.23 -1.57 0.00 0.00 179.24 179.49 3d2u h GLY 65 N 0.99 -0.97 0.20 2.75 0.00 -0.87 -2.04 103.07 103.13 3d2u h GLY 65 Ca 0.07 0.36 0.16 0.00 0.00 0.00 0.00 47.33 47.92 3d2u h GLY 65 CO 0.06 -0.35 0.52 0.83 0.00 0.00 0.00 176.54 177.60 3d2u h GLU 66 N -1.13 0.68 -0.32 4.80 4.39 -1.24 0.00 114.58 121.77 3d2u h GLU 66 Ca -0.09 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.50 3d2u h GLU 66 Cb 0.74 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 3d2u h GLU 66 CO 0.16 0.45 -0.06 -0.09 -1.16 0.00 0.00 179.01 178.31 3d2u h ARG 67 N 0.70 0.51 -0.21 2.33 2.43 -1.23 0.36 114.38 119.28 3d2u h ARG 67 Ca 0.51 -0.13 -0.18 0.00 -0.81 0.00 0.00 59.98 59.38 3d2u h ARG 67 Cb 0.74 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3d2u h ARG 67 CO -0.37 0.58 -0.59 0.00 -1.51 0.00 0.00 179.97 178.09 3d2u h ALA 68 N 1.46 0.58 -0.56 2.80 0.00 -0.32 0.10 119.26 123.32 3d2u h ALA 68 Ca 0.10 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 3d2u h ALA 68 Cb 0.41 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3d2u h ALA 68 CO 0.02 0.69 -0.06 0.87 0.00 0.00 0.00 179.25 180.77 3d2u h LYS 69 N 0.51 1.03 -0.24 0.00 1.57 -0.43 -2.71 116.57 116.30 3d2u h LYS 69 Ca 0.00 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 3d2u h LYS 69 Cb 1.16 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 3d2u h LYS 69 CO 0.12 1.04 0.10 0.78 -0.57 0.00 0.00 179.45 180.93 3d2u h GLY 70 N 0.91 0.38 0.32 3.86 0.00 -0.03 -1.63 103.07 106.89 3d2u h GLY 70 Ca 0.15 -0.20 0.15 0.00 0.00 0.00 0.00 47.33 47.43 3d2u h GLY 70 CO 0.04 0.19 0.60 -0.55 0.00 0.00 0.00 176.54 176.82 3d2u h ASP 71 N 0.25 0.83 -0.02 0.19 3.32 -0.70 -0.72 116.42 119.57 3d2u h ASP 71 Ca 0.08 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3d2u h ASP 71 Cb 0.15 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 3d2u h ASP 71 CO -0.01 0.38 -0.00 0.25 -1.72 0.00 0.00 179.24 178.14 3d2u h LEU 72 N 0.87 0.04 -0.87 1.55 5.85 -1.15 -2.80 115.31 118.79 3d2u h LEU 72 Ca 0.52 -0.35 0.09 0.00 0.84 0.00 0.00 57.88 58.98 3d2u h LEU 72 Cb 0.65 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.60 3d2u h LEU 72 CO -0.32 0.38 0.52 0.40 -0.34 0.00 0.00 178.44 179.08 3d2u h ILE 73 N -0.30 0.95 -0.76 4.05 5.03 -0.54 -1.00 117.51 124.92 3d2u h ILE 73 Ca 0.01 -0.30 -0.02 0.00 -0.12 0.00 0.00 64.86 64.42 3d2u h ILE 73 Cb 0.36 -0.01 -0.04 0.00 -3.03 0.00 0.00 36.82 34.10 3d2u h ILE 73 CO 0.00 0.16 0.39 0.15 -0.68 0.00 0.00 178.15 178.17 3d2u h PHE 74 N 0.88 1.07 0.29 1.37 3.57 -1.11 0.70 116.94 123.71 3d2u h PHE 74 Ca 0.41 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.87 3d2u h PHE 74 Cb 0.34 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3d2u h PHE 74 CO -0.04 0.76 -0.20 -0.97 -2.23 0.00 0.00 178.31 175.63 3d2u h ASN 75 N 1.08 -0.51 -0.90 0.41 -1.24 -0.93 0.52 115.58 114.01 3d2u h ASN 75 Ca 0.27 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.30 3d2u h ASN 75 Cb 0.08 0.16 -0.04 0.00 0.73 0.00 0.00 38.32 39.24 3d2u h ASN 75 CO -0.04 -0.31 0.50 -0.61 -1.29 0.00 0.00 177.43 175.68 3d2u h GLN 76 N -0.48 1.24 -0.94 6.67 5.75 -1.03 -2.59 115.11 123.74 3d2u h GLN 76 Ca -0.02 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.34 3d2u h GLN 76 Cb 0.41 -0.25 -0.05 0.00 1.07 0.00 0.00 27.48 28.67 3d2u h GLN 76 CO 0.01 0.90 0.58 1.15 -2.65 0.00 0.00 178.83 178.82 3d2u h THR 77 N 1.25 1.25 -0.97 2.39 2.02 0.14 -1.02 112.91 117.97 3d2u h THR 77 Ca 0.32 -0.54 0.05 0.00 0.77 0.00 0.00 66.41 67.01 3d2u h THR 77 Cb 0.01 -0.08 -0.06 0.00 -1.74 0.00 0.00 68.15 66.28 3d2u h THR 77 CO -0.05 0.26 0.63 -0.33 0.37 0.00 0.00 175.52 176.40 3d2u h GLU 78 N 1.29 1.13 -0.15 6.66 5.08 0.40 0.24 114.58 129.23 3d2u h GLU 78 Ca 0.34 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.57 3d2u h GLU 78 Cb -0.07 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 28.92 3d2u h GLU 78 CO -0.07 0.75 -0.13 1.96 -1.00 0.00 0.00 179.01 180.53 3d2u h GLN 79 N 1.17 0.35 -0.92 2.33 4.20 -1.24 -2.71 115.11 118.29 3d2u h GLN 79 Ca 0.41 -0.18 0.02 0.00 0.06 0.00 0.00 58.65 58.96 3d2u h GLN 79 Cb 0.11 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 3d2u h GLN 79 CO -0.15 0.72 0.61 -0.91 -0.67 0.00 0.00 178.83 178.43 3d2u h ASN 80 N -0.01 1.03 0.19 1.46 2.35 -0.61 -1.52 115.58 118.48 3d2u h ASN 80 Ca 0.03 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3d2u h ASN 80 Cb 0.65 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.77 3d2u h ASN 80 CO 0.03 0.72 -0.09 -0.07 -1.65 0.00 0.00 177.43 176.38 3d2u h LEU 81 N 1.20 -0.22 -1.08 1.61 3.38 -0.95 -1.47 115.31 117.79 3d2u h LEU 81 Ca 0.35 -0.21 0.15 0.00 0.09 0.00 0.00 57.88 58.26 3d2u h LEU 81 Cb -0.07 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.65 3d2u h LEU 81 CO -0.09 0.11 0.62 0.25 0.09 0.00 0.00 178.44 179.41 3d2u h LEU 82 N -0.56 0.81 -0.41 1.67 5.85 -1.33 -0.23 115.31 121.11 3d2u h LEU 82 Ca -0.03 0.06 -0.18 0.00 0.84 0.00 0.00 57.88 58.58 3d2u h LEU 82 Cb 0.42 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 3d2u h LEU 82 CO 0.04 0.37 -0.59 -0.33 -0.34 0.00 0.00 178.44 177.60 3d2u h GLU 83 N 0.83 0.66 -0.01 1.25 5.08 -1.12 -2.18 114.58 119.09 3d2u h GLU 83 Ca 0.52 -0.44 -0.22 0.00 -1.00 0.00 0.00 59.36 58.22 3d2u h GLU 83 Cb 0.71 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 3d2u h GLU 83 CO -0.29 1.06 -0.91 -0.07 -1.00 0.00 0.00 179.01 177.80 3d2u h LEU 84 N 0.50 0.49 -0.62 1.33 3.38 -0.51 -1.66 115.31 118.22 3d2u h LEU 84 Ca 0.00 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 3d2u h LEU 84 Cb 1.16 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 3d2u h LEU 84 CO 0.12 1.18 0.26 -0.08 0.09 0.00 0.00 178.44 180.01 3d2u h GLU 85 N 0.22 0.91 -0.02 1.13 4.57 -1.06 0.60 114.58 120.93 3d2u h GLU 85 Ca -0.07 -0.16 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 3d2u h GLU 85 Cb 1.54 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.98 3d2u h GLU 85 CO 0.15 0.76 -0.00 0.82 -1.18 0.00 0.00 179.01 179.57 3d2u h ILE 86 N 0.86 1.26 -0.02 2.32 2.04 -1.36 -0.49 117.51 122.12 3d2u h ILE 86 Ca 0.21 -0.77 -0.19 0.00 1.00 0.00 0.00 64.86 65.11 3d2u h ILE 86 Cb 0.18 1.74 0.01 0.00 -0.74 0.00 0.00 36.82 38.01 3d2u h ILE 86 CO -0.02 0.20 -0.74 0.00 0.00 0.00 0.00 178.15 177.59 3d2u h ALA 87 N 0.69 0.12 0.00 1.87 0.00 -1.20 -3.39 119.26 117.35 3d2u h ALA 87 Ca 0.01 -0.60 -0.29 0.00 0.00 0.00 0.00 54.91 54.02 3d2u h ALA 87 Cb 0.33 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3d2u h ALA 87 CO 0.00 0.48 -2.23 1.28 0.00 0.00 0.00 179.25 178.78 3d2u n LEU 88 N -4.09 0.00 0.00 0.00 4.77 0.21 -5.02 117.00 112.87 3d2u n LEU 88 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3d2u n LEU 88 Cb 0.73 0.39 0.00 0.00 -2.33 0.00 0.00 43.42 42.22 3d2u n LEU 88 CO 0.50 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 3d2u n GLY 89 N 1.76 -1.22 3.35 -0.72 0.00 -0.19 -4.94 105.19 103.23 3d2u n GLY 89 Ca -0.26 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.53 3d2u n GLY 89 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3d2u s TYR 90 N 0.00 0.18 -0.16 1.61 -0.85 -1.26 -4.79 117.35 112.07 3d2u s TYR 90 Ca 0.00 -0.55 0.02 0.00 -0.52 0.00 0.00 57.07 56.02 3d2u s TYR 90 Cb 0.00 0.07 -0.11 0.00 0.38 0.00 0.00 41.96 42.30 3d2u s TYR 90 CO 0.00 -0.73 -0.13 0.54 -1.52 0.00 0.00 175.55 173.71 3d2u n ARG 91 N -0.21 0.51 -0.02 -3.49 5.12 -1.26 -4.88 116.66 112.43 3d2u n ARG 91 Ca -0.10 0.09 -0.04 0.00 -1.93 0.00 0.00 57.85 55.87 3d2u n ARG 91 Cb 0.63 -1.33 -0.02 0.00 -1.16 0.00 0.00 32.46 30.58 3d2u n ARG 91 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3d2u n SER 92 N -2.95 1.70 -3.64 0.55 7.64 -1.26 -5.08 113.62 110.57 3d2u n SER 92 Ca -0.29 0.02 -0.12 0.00 1.01 0.00 0.00 58.87 59.49 3d2u n SER 92 Cb 0.82 -0.10 -0.07 0.00 -1.01 0.00 0.00 64.21 63.85 3d2u n SER 92 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3d2u s GLN 93 N -2.08 0.76 -1.28 1.43 0.74 -1.26 -5.07 119.66 112.91 3d2u s GLN 93 Ca -0.05 1.03 -0.16 0.00 0.05 0.00 0.00 55.36 56.22 3d2u s GLN 93 Cb 0.02 0.31 0.11 0.00 1.10 0.00 0.00 33.01 34.54 3d2u s GLN 93 CO 0.08 -0.11 1.68 -1.13 -0.55 0.00 0.00 175.29 175.26 3d2u n SER 94 N 3.22 4.97 -4.14 6.67 3.41 -1.26 -3.93 113.62 122.55 3d2u n SER 94 Ca -0.16 -2.94 -0.25 0.00 -0.26 0.00 0.00 58.87 55.25 3d2u n SER 94 Cb 0.56 -1.67 -0.16 0.00 -0.26 0.00 0.00 64.21 62.69 3d2u n SER 94 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3d2u s VAL 95 N 3.02 1.38 -0.18 -3.33 -7.23 -1.26 -1.61 120.40 111.19 3d2u s VAL 95 Ca 0.49 -0.71 -0.04 0.00 -1.81 0.00 0.00 61.98 59.91 3d2u s VAL 95 Cb 0.03 -1.17 -0.02 0.00 0.56 0.00 0.00 36.38 35.78 3d2u s VAL 95 CO 0.04 0.39 -0.03 -0.22 -0.31 0.00 0.00 175.10 174.97 3d2u s LEU 96 N -0.14 3.15 -0.15 1.32 2.96 -0.14 -1.18 118.68 124.50 3d2u s LEU 96 Ca 0.01 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 3d2u s LEU 96 Cb -0.09 -1.78 0.02 0.00 0.50 0.00 0.00 46.19 44.84 3d2u s LEU 96 CO 0.01 0.10 -0.18 0.42 -1.32 0.00 0.00 176.35 175.38 3d2u s THR 97 N 0.76 1.85 0.09 3.68 -4.23 -0.06 -0.57 115.64 117.17 3d2u s THR 97 Ca -0.01 -0.83 0.02 0.00 -1.18 0.00 0.00 61.69 59.68 3d2u s THR 97 Cb -0.14 -1.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 3d2u s THR 97 CO 0.02 0.51 -0.06 -1.66 -0.54 0.00 0.00 174.62 172.88 3d2u s TRP 98 N 1.15 0.85 0.05 3.99 -2.14 -0.25 -0.68 118.94 121.91 3d2u s TRP 98 Ca -0.00 -0.90 -0.21 0.00 2.66 0.00 0.00 56.10 57.65 3d2u s TRP 98 Cb -0.14 -0.50 0.05 0.00 -3.10 0.00 0.00 33.47 29.78 3d2u s TRP 98 CO -0.07 -0.16 0.49 -0.08 -2.66 0.00 0.00 176.95 174.46 3d2u s THR 99 N -3.49 0.04 0.01 0.66 -1.32 0.26 -0.12 115.64 111.68 3d2u s THR 99 Ca 0.10 -0.31 0.01 0.00 -1.21 0.00 0.00 61.69 60.28 3d2u s THR 99 Cb 0.04 -0.97 -0.01 0.00 -1.51 0.00 0.00 72.50 70.06 3d2u s THR 99 CO -0.05 -0.17 -0.04 -1.38 -2.21 0.00 0.00 174.62 170.78 3d2u s HIS 100 N -2.49 0.33 0.05 9.09 -3.43 -1.02 -0.58 115.29 117.24 3d2u s HIS 100 Ca -0.05 -0.15 0.04 0.00 -0.80 0.00 0.00 55.06 54.10 3d2u s HIS 100 Cb -0.01 -0.21 -0.02 0.00 -1.43 0.00 0.00 32.58 30.91 3d2u s HIS 100 CO -0.02 -0.03 -0.12 -2.00 -2.00 0.00 0.00 174.74 170.57 3d2u s GLU 101 N -0.38 0.77 -0.21 -0.38 2.12 0.30 -1.47 118.70 119.46 3d2u s GLU 101 Ca -0.02 -0.79 0.01 0.00 0.36 0.00 0.00 54.97 54.54 3d2u s GLU 101 Cb -0.03 -0.72 0.04 0.00 0.26 0.00 0.00 34.13 33.68 3d2u s GLU 101 CO -0.00 0.17 -0.13 0.00 -0.54 0.00 0.00 175.26 174.76 3d2u s ASN 103 N 1.31 4.79 0.20 0.00 -0.87 0.18 -2.23 114.94 118.32 3d2u s ASN 103 Ca -0.01 -0.11 0.01 0.00 -1.57 0.00 0.00 52.86 51.18 3d2u s ASN 103 Cb -0.16 -1.73 -0.05 0.00 -0.02 0.00 0.00 41.25 39.30 3d2u s ASN 103 CO -0.09 0.19 0.04 0.42 -2.57 0.00 0.00 177.10 175.10 3d2u s THR 104 N 0.22 0.59 0.69 1.60 -4.23 -1.02 0.65 115.64 114.15 3d2u s THR 104 Ca -0.03 -1.99 -0.03 0.00 -1.18 0.00 0.00 61.69 58.47 3d2u s THR 104 Cb -0.14 -2.32 0.09 0.00 1.34 0.00 0.00 72.50 71.47 3d2u s THR 104 CO 0.03 -0.28 0.97 0.42 -0.54 0.00 0.00 174.62 175.21 3d2u s THR 105 N -3.72 2.30 0.20 3.99 -4.23 -0.58 -1.84 115.64 111.76 3d2u s THR 105 Ca 0.30 -0.49 -0.14 0.00 -1.18 0.00 0.00 61.69 60.18 3d2u s THR 105 Cb 0.07 -2.81 0.21 0.00 1.34 0.00 0.00 72.50 71.30 3d2u s THR 105 CO 0.08 0.00 1.64 -0.33 -0.54 0.00 0.00 174.62 175.46 3d2u h GLU 106 N -0.48 0.01 -0.35 3.99 3.07 -1.97 -0.16 114.58 118.69 3d2u h GLU 106 Ca -0.40 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 3d2u h GLU 106 Cb 1.28 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 3d2u h GLU 106 CO 0.48 0.00 0.00 0.27 -1.40 0.00 0.00 179.01 178.36 3d2u n ASN 107 N -5.40 0.35 0.00 1.42 6.94 -1.26 -4.87 115.26 112.44 3d2u n ASN 107 Ca 0.07 -1.49 0.00 0.00 -0.02 0.00 0.00 54.58 53.13 3d2u n ASN 107 Cb 0.31 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 3d2u n ASN 107 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3d2u n GLY 108 N 0.19 0.95 3.74 4.83 0.00 -0.07 -5.06 105.19 109.77 3d2u n GLY 108 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3d2u n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d2u s SER 109 N -3.03 7.51 -0.05 1.61 1.04 -1.26 -4.71 113.70 114.81 3d2u s SER 109 Ca 0.00 1.80 -0.31 0.00 0.48 0.00 0.00 55.95 57.91 3d2u s SER 109 Cb 0.00 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.45 3d2u s SER 109 CO 0.00 0.05 1.99 0.33 0.98 0.00 0.00 173.24 176.59 3d2u n PHE 110 N 2.23 2.36 -0.11 5.02 7.35 -1.26 -1.53 117.46 131.51 3d2u n PHE 110 Ca -0.00 -0.21 -0.22 0.00 -0.76 0.00 0.00 57.45 56.26 3d2u n PHE 110 Cb 0.48 -2.75 -0.09 0.00 0.35 0.00 0.00 39.48 37.48 3d2u n PHE 110 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3d2u n VAL 111 N 5.79 1.27 -3.57 -2.13 0.31 0.21 -4.94 118.33 115.27 3d2u n VAL 111 Ca 0.23 -0.38 -0.12 0.00 -0.01 0.00 0.00 64.34 64.06 3d2u n VAL 111 Cb 0.37 -1.62 -0.04 0.00 -0.91 0.00 0.00 33.84 31.64 3d2u n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d2u s ALA 112 N -2.43 -1.21 0.11 3.52 0.00 -0.98 -4.98 121.76 115.79 3d2u s ALA 112 Ca -0.32 0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.95 3d2u s ALA 112 Cb 0.11 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 3d2u s ALA 112 CO 0.44 -0.61 -0.02 0.20 0.00 0.00 0.00 175.76 175.77 3d2u s GLY 113 N -2.47 0.86 -0.28 0.00 0.00 -1.26 0.47 107.32 104.64 3d2u s GLY 113 Ca -0.01 -1.40 -0.25 0.00 0.00 0.00 0.00 44.72 43.07 3d2u s GLY 113 CO -0.08 -1.43 0.84 -0.47 0.00 0.00 0.00 173.10 171.96 3d2u s TYR 114 N -3.77 -0.68 -0.02 1.90 5.04 -0.97 -4.31 117.35 114.53 3d2u s TYR 114 Ca 0.16 1.63 0.01 0.00 -2.44 0.00 0.00 57.07 56.43 3d2u s TYR 114 Cb 0.06 0.32 0.02 0.00 0.35 0.00 0.00 41.96 42.71 3d2u s TYR 114 CO -0.03 -0.33 -0.02 -2.00 -1.34 0.00 0.00 175.55 171.84 3d2u s GLU 115 N 0.38 0.40 -0.03 4.97 2.12 -0.80 -0.54 118.70 125.20 3d2u s GLU 115 Ca 0.01 -0.03 -0.11 0.00 0.36 0.00 0.00 54.97 55.20 3d2u s GLU 115 Cb -0.05 -0.48 0.02 0.00 0.26 0.00 0.00 34.13 33.88 3d2u s GLU 115 CO -0.03 -0.05 0.24 0.20 -0.54 0.00 0.00 175.26 175.08 3d2u s GLY 116 N 0.60 -0.10 0.06 -1.50 0.00 0.26 -0.73 107.32 105.90 3d2u s GLY 116 Ca -0.06 0.30 0.07 0.00 0.00 0.00 0.00 44.72 45.03 3d2u s GLY 116 CO -0.01 0.15 -0.19 -1.36 0.00 0.00 0.00 173.10 171.69 3d2u s PHE 117 N -0.89 1.63 -0.08 1.90 0.40 0.06 -0.57 117.98 120.43 3d2u s PHE 117 Ca -0.10 -0.38 -0.06 0.00 -0.60 0.00 0.00 56.93 55.79 3d2u s PHE 117 Cb -0.05 -0.95 0.03 0.00 0.51 0.00 0.00 43.02 42.56 3d2u s PHE 117 CO 0.02 0.10 0.21 0.20 0.70 0.00 0.00 175.22 176.45 3d2u s GLY 118 N -1.38 -0.14 -0.05 4.36 0.00 0.14 -0.80 107.32 109.46 3d2u s GLY 118 Ca 0.05 0.69 0.06 0.00 0.00 0.00 0.00 44.72 45.53 3d2u s GLY 118 CO 0.02 0.74 -0.23 0.86 0.00 0.00 0.00 173.10 174.48 3d2u s TRP 119 N 0.50 2.45 -1.63 1.90 -0.00 0.11 -0.88 118.94 121.40 3d2u s TRP 119 Ca -0.03 -0.54 -0.14 0.00 -0.00 0.00 0.00 56.10 55.39 3d2u s TRP 119 Cb -0.05 -1.58 0.12 0.00 -0.00 0.00 0.00 33.47 31.96 3d2u s TRP 119 CO -0.03 -0.09 0.71 -3.47 -0.00 0.00 0.00 176.95 174.07 3d2u n ASP 120 N 2.69 -2.70 0.00 5.86 2.03 -0.32 0.25 116.55 124.36 3d2u n ASP 120 Ca -0.17 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.14 3d2u n ASP 120 Cb 0.52 -2.88 0.00 0.00 -0.72 0.00 0.00 41.12 38.03 3d2u n ASP 120 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3d2u n GLY 121 N -1.57 0.38 3.50 0.27 0.00 -1.26 -4.85 105.19 101.66 3d2u n GLY 121 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3d2u n GLY 121 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d2u s GLU 122 N -0.68 3.67 0.16 1.61 0.41 0.14 -5.07 118.70 118.94 3d2u s GLU 122 Ca 0.00 -0.52 -0.32 0.00 -0.41 0.00 0.00 54.97 53.73 3d2u s GLU 122 Cb 0.00 -2.91 -0.10 0.00 -1.78 0.00 0.00 34.13 29.33 3d2u s GLU 122 CO 0.00 0.25 1.65 0.99 -0.49 0.00 0.00 175.26 177.66 3d2u s THR 123 N 0.34 2.48 -0.28 3.63 2.01 -1.26 0.07 115.64 122.63 3d2u s THR 123 Ca -0.04 0.28 -0.13 0.00 0.31 0.00 0.00 61.69 62.11 3d2u s THR 123 Cb -0.14 -3.18 -0.12 0.00 0.01 0.00 0.00 72.50 69.07 3d2u s THR 123 CO 0.03 0.02 -0.35 -0.11 -0.69 0.00 0.00 174.62 173.52 3d2u n LEU 124 N 4.34 2.01 -3.54 4.42 7.94 0.02 -4.06 117.00 128.14 3d2u n LEU 124 Ca 0.15 0.30 -0.15 0.00 -1.11 0.00 0.00 56.01 55.21 3d2u n LEU 124 Cb 0.38 -0.82 -0.05 0.00 0.53 0.00 0.00 43.42 43.46 3d2u n LEU 124 CO 0.63 0.60 0.57 0.00 -1.11 0.00 0.00 177.39 178.08 3d2u s MET 125 N -2.50 0.89 0.11 1.96 0.23 -1.16 -2.70 119.30 116.12 3d2u s MET 125 Ca -0.38 0.16 -0.00 0.00 -1.03 0.00 0.00 55.69 54.43 3d2u s MET 125 Cb 0.14 0.42 -0.04 0.00 -1.53 0.00 0.00 34.83 33.82 3d2u s MET 125 CO 0.49 -0.29 0.01 -1.21 -2.03 0.00 0.00 175.02 172.00 3d2u s GLU 126 N -1.37 0.84 -0.13 3.16 2.02 -0.91 -0.76 118.70 121.56 3d2u s GLU 126 Ca -0.06 -1.37 -0.04 0.00 0.02 0.00 0.00 54.97 53.51 3d2u s GLU 126 Cb -0.00 0.13 0.06 0.00 0.10 0.00 0.00 34.13 34.42 3d2u s GLU 126 CO 0.05 -0.18 0.13 -1.17 0.02 0.00 0.00 175.26 174.12 3d2u s LEU 127 N -3.02 0.09 0.00 1.80 2.96 0.09 -1.35 118.68 119.25 3d2u s LEU 127 Ca 0.18 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 3d2u s LEU 127 Cb 0.07 0.05 0.00 0.00 0.50 0.00 0.00 46.19 46.82 3d2u s LEU 127 CO -0.02 -0.30 0.00 0.29 -1.32 0.00 0.00 176.35 175.00 3d2u n LYS 128 N 5.30 1.93 0.00 1.98 5.02 -1.26 -1.91 118.16 129.22 3d2u n LYS 128 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3d2u n LYS 128 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 3d2u n LYS 128 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3d2u n ASP 129 N -0.87 0.00 0.08 4.39 8.00 -1.26 0.14 116.55 127.03 3d2u n ASP 129 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 3d2u n ASP 129 Cb 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.23 3d2u n ASP 129 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3d2u n ASN 130 N 0.70 0.13 -3.56 -2.24 2.04 -1.26 -4.74 115.26 106.32 3d2u n ASN 130 Ca 0.00 0.35 -0.22 0.00 -0.44 0.00 0.00 54.58 54.27 3d2u n ASN 130 Cb 0.00 -0.30 0.08 0.00 -2.53 0.00 0.00 39.78 37.03 3d2u n ASN 130 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3d2u n LEU 131 N -1.59 -3.58 0.00 -4.53 4.77 0.38 -4.91 117.00 107.55 3d2u n LEU 131 Ca -0.00 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 3d2u n LEU 131 Cb 0.34 -3.06 0.00 0.00 -2.33 0.00 0.00 43.42 38.38 3d2u n LEU 131 CO 0.02 0.57 -0.40 0.35 -1.33 0.00 0.00 177.39 176.60 3d2u n THR 132 N -4.75 0.00 -3.84 -5.08 -2.24 -1.26 -4.77 114.28 92.34 3d2u n THR 132 Ca -0.08 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.34 3d2u n THR 132 Cb 0.59 -0.76 -0.13 0.00 -2.10 0.00 0.00 70.33 67.93 3d2u n THR 132 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 3d2u s LEU 133 N -3.54 4.14 0.27 3.22 0.05 -1.26 -5.03 118.68 116.52 3d2u s LEU 133 Ca 0.00 -1.25 -0.30 0.00 0.05 0.00 0.00 54.13 52.64 3d2u s LEU 133 Cb 0.00 -1.78 -0.09 0.00 -2.05 0.00 0.00 46.19 42.26 3d2u s LEU 133 CO 0.00 -0.30 1.09 0.26 -0.55 0.00 0.00 176.35 176.85 3d2u s TRP 134 N 1.31 3.60 0.42 3.48 0.52 -1.26 -4.57 118.94 122.44 3d2u s TRP 134 Ca -0.03 1.70 0.07 0.00 0.02 0.00 0.00 56.10 57.86 3d2u s TRP 134 Cb -0.20 -3.27 -0.02 0.00 -1.15 0.00 0.00 33.47 28.83 3d2u s TRP 134 CO 0.00 -0.52 0.33 0.95 0.02 0.00 0.00 176.95 177.74 3d2u s THR 135 N -1.05 2.51 0.00 2.01 -4.23 -0.46 -4.94 115.64 109.48 3d2u s THR 135 Ca 0.45 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 3d2u s THR 135 Cb -0.31 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.58 3d2u s THR 135 CO 0.40 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 3d2u n GLY 136 N -1.49 7.50 3.58 3.99 0.00 -1.26 -2.14 105.19 115.37 3d2u n GLY 136 Ca 0.02 -2.02 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 3d2u n GLY 136 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3d2u s PRO 137 N 1.13 -0.08 -1.09 1.61 0.02 -1.10 -4.66 135.00 130.84 3d2u s PRO 137 Ca 0.00 0.89 -0.11 0.00 0.02 0.00 0.00 61.00 61.80 3d2u s PRO 137 Cb 0.00 -1.65 0.24 0.00 0.02 0.00 0.00 34.50 33.11 3d2u s PRO 137 CO 0.00 -3.17 1.14 1.21 -0.33 0.00 0.00 177.00 175.85 3d2u s ASN 138 N -2.84 7.17 0.30 2.53 2.47 -1.26 -4.87 114.94 118.45 3d2u s ASN 138 Ca 0.67 -3.29 0.15 0.00 0.42 0.00 0.00 52.86 50.80 3d2u s ASN 138 Cb -0.22 -2.26 0.81 0.00 -1.45 0.00 0.00 41.25 38.13 3d2u s ASN 138 CO 0.61 -0.45 1.39 -1.22 -3.72 0.00 0.00 177.10 173.71 3d2u n TYR 139 N 3.65 0.51 0.13 0.43 0.53 -1.26 -2.03 117.16 119.12 3d2u n TYR 139 Ca 0.25 0.27 -0.01 0.00 -1.02 0.00 0.00 57.90 57.39 3d2u n TYR 139 Cb 0.41 -0.80 0.13 0.00 -1.03 0.00 0.00 39.34 38.05 3d2u n TYR 139 CO 0.00 0.00 0.00 0.93 -1.02 0.00 0.00 176.86 176.77 3d2u h GLU 140 N 0.00 0.00 -0.00 -0.72 5.08 -2.03 -3.34 114.58 113.57 3d2u h GLU 140 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3d2u h GLU 140 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3d2u h GLU 140 CO 0.00 0.66 -0.04 0.44 -1.00 0.00 0.00 179.01 179.07 3d2u n ILE 141 N -3.64 0.00 -3.99 3.13 -5.35 -0.86 -5.05 119.36 103.60 3d2u n ILE 141 Ca -0.01 -0.48 -0.36 0.00 -0.27 0.00 0.00 62.75 61.63 3d2u n ILE 141 Cb 0.67 1.02 -0.07 0.00 -1.74 0.00 0.00 39.64 39.52 3d2u n ILE 141 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3d2u s SER 142 N -0.64 6.09 0.10 7.28 0.15 -0.95 -4.96 113.70 120.77 3d2u s SER 142 Ca 0.01 0.37 0.11 0.00 0.70 0.00 0.00 55.95 57.14 3d2u s SER 142 Cb 0.01 -1.93 0.52 0.00 -1.71 0.00 0.00 66.02 62.91 3d2u s SER 142 CO 0.04 0.38 1.34 -2.67 1.20 0.00 0.00 173.24 173.54 3d2u n TRP 143 N 2.14 0.26 0.24 3.44 4.27 -1.26 -2.03 117.44 124.50 3d2u n TRP 143 Ca -0.19 0.12 0.03 0.00 -3.89 0.00 0.00 57.50 53.57 3d2u n TRP 143 Cb 0.54 -0.70 0.14 0.00 -1.36 0.00 0.00 31.31 29.94 3d2u n TRP 143 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3d2u n LEU 144 N -1.76 0.00 0.27 5.67 4.77 -1.26 -1.85 117.00 122.84 3d2u n LEU 144 Ca 0.01 0.45 0.14 0.00 -0.03 0.00 0.00 56.01 56.58 3d2u n LEU 144 Cb 0.08 -0.45 0.74 0.00 -2.33 0.00 0.00 43.42 41.46 3d2u n LEU 144 CO 0.08 -0.35 0.98 0.07 -1.33 0.00 0.00 177.39 176.83 3d2u h LYS 145 N 0.00 0.00 -0.16 3.23 2.10 -1.67 -1.68 116.57 118.39 3d2u h LYS 145 Ca 0.00 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.70 3d2u h LYS 145 Cb 0.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.42 3d2u h LYS 145 CO 0.00 0.10 0.22 0.37 -2.00 0.00 0.00 179.45 178.15 3d2u h GLN 146 N 0.00 0.00 -0.77 0.07 5.75 -1.64 -1.95 115.11 116.57 3d2u h GLN 146 Ca -0.00 0.00 -0.39 0.00 -0.15 0.00 0.00 58.65 58.11 3d2u h GLN 146 Cb 0.37 0.00 -0.41 0.00 1.07 0.00 0.00 27.48 28.51 3d2u h GLN 146 CO 0.01 0.00 -1.01 1.04 -2.65 0.00 0.00 178.83 176.23 3d2u n GLN 147 N -3.59 2.33 0.10 1.69 1.13 -0.64 -4.93 117.38 113.46 3d2u n GLN 147 Ca 0.01 -3.76 -0.13 0.00 -1.94 0.00 0.00 57.00 51.18 3d2u n GLN 147 Cb 0.33 -1.80 -0.07 0.00 0.11 0.00 0.00 30.24 28.81 3d2u n GLN 147 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 3d2u h LYS 148 N 2.57 -0.15 -0.34 -1.09 3.64 -1.27 -1.43 116.57 118.50 3d2u h LYS 148 Ca 0.06 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3d2u h LYS 148 Cb 1.28 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.11 3d2u h LYS 148 CO 0.48 -0.10 0.05 1.79 -2.27 0.00 0.00 179.45 179.40 3d2u h THR 149 N -0.16 1.18 -0.14 1.00 1.35 -1.92 0.77 112.91 114.99 3d2u h THR 149 Ca -0.01 -0.66 -0.03 0.00 -0.55 0.00 0.00 66.41 65.15 3d2u h THR 149 Cb 0.12 0.87 -0.00 0.00 -1.73 0.00 0.00 68.15 67.41 3d2u h THR 149 CO 0.02 0.23 -0.03 0.22 -0.25 0.00 0.00 175.52 175.71 3d2u h TYR 150 N 0.50 0.31 -0.11 4.73 3.20 -1.92 -1.28 116.97 122.39 3d2u h TYR 150 Ca 0.11 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 3d2u h TYR 150 Cb 0.25 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 3d2u h TYR 150 CO 0.01 0.56 0.06 0.82 -1.64 0.00 0.00 178.16 177.97 3d2u h ILE 151 N -0.03 1.09 -0.44 1.81 1.08 -0.91 -0.93 117.51 119.18 3d2u h ILE 151 Ca 0.04 -0.26 0.04 0.00 -0.39 0.00 0.00 64.86 64.29 3d2u h ILE 151 Cb 0.46 1.06 -0.02 0.00 -3.07 0.00 0.00 36.82 35.25 3d2u h ILE 151 CO 0.01 0.08 0.29 0.44 -0.69 0.00 0.00 178.15 178.29 3d2u h ASP 152 N 0.08 0.38 -0.09 1.72 5.19 -0.87 0.63 116.42 123.47 3d2u h ASP 152 Ca 0.04 -0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.29 3d2u h ASP 152 Cb 0.08 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 3d2u h ASP 152 CO -0.01 0.26 -0.47 1.23 -3.12 0.00 0.00 179.24 177.13 3d2u h GLY 153 N 0.44 0.70 0.93 2.75 0.00 -0.72 0.21 103.07 107.38 3d2u h GLY 153 Ca 0.18 -0.76 -0.12 0.00 0.00 0.00 0.00 47.33 46.63 3d2u h GLY 153 CO -0.04 0.68 -0.35 0.50 0.00 0.00 0.00 176.54 177.33 3d2u h LYS 154 N 0.51 0.62 -0.29 4.80 1.79 0.22 -2.33 116.57 121.88 3d2u h LYS 154 Ca 0.03 -0.38 -0.04 0.00 -2.18 0.00 0.00 60.65 58.08 3d2u h LYS 154 Cb 1.01 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.69 3d2u h LYS 154 CO 0.09 0.99 0.02 0.82 -1.08 0.00 0.00 179.45 180.29 3d2u h ILE 155 N 0.30 1.25 0.00 1.86 2.04 -0.89 -2.79 117.51 119.28 3d2u h ILE 155 Ca 0.02 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 3d2u h ILE 155 Cb 0.94 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 3d2u h ILE 155 CO 0.08 0.28 -0.13 0.50 0.00 0.00 0.00 178.15 178.89 3d2u h LYS 156 N 0.31 0.00 -0.09 2.37 3.64 -0.60 -2.29 116.57 119.92 3d2u h LYS 156 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3d2u h LYS 156 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3d2u h LYS 156 CO 0.01 0.13 0.00 -1.71 -2.27 0.00 0.00 179.45 175.61 3d2u n ASN 157 N -3.89 0.69 -4.62 4.20 5.15 -0.88 -4.80 115.26 111.11 3d2u n ASN 157 Ca -0.02 -1.65 -0.43 0.00 -0.60 0.00 0.00 54.58 51.88 3d2u n ASN 157 Cb 0.22 -0.06 -0.02 0.00 -0.53 0.00 0.00 39.78 39.39 3d2u n ASN 157 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3d2u s ILE 158 N -1.89 4.31 1.12 -1.44 1.01 -0.86 -5.01 121.20 118.44 3d2u s ILE 158 Ca 0.25 1.45 -0.19 0.00 0.00 0.00 0.00 60.65 62.15 3d2u s ILE 158 Cb 0.12 -4.42 0.11 0.00 0.01 0.00 0.00 42.46 38.28 3d2u s ILE 158 CO 0.19 -0.66 -0.02 -1.54 0.00 0.00 0.00 174.94 172.90 3d2u n SER 159 N 7.43 -2.40 0.06 3.58 3.41 -1.26 -4.88 113.62 119.56 3d2u n SER 159 Ca 0.13 -0.14 0.12 0.00 -0.26 0.00 0.00 58.87 58.71 3d2u n SER 159 Cb 0.48 -0.94 0.05 0.00 -0.26 0.00 0.00 64.21 63.54 3d2u n SER 159 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3d2u n GLU 160 N -2.04 0.41 0.06 4.33 -0.58 -1.26 -3.51 120.64 118.05 3d2u n GLU 160 Ca 0.01 0.05 -0.03 0.00 -0.42 0.00 0.00 57.16 56.77 3d2u n GLU 160 Cb 0.62 -1.69 -0.08 0.00 -0.57 0.00 0.00 31.44 29.72 3d2u n GLU 160 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3d2u h GLY 161 N 4.33 0.00 1.47 0.62 0.00 -2.00 -1.35 103.07 106.14 3d2u h GLY 161 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 3d2u h GLY 161 CO 0.00 0.00 -1.00 -0.55 0.00 0.00 0.00 176.54 174.99 3d2u h ASP 162 N 0.00 0.00 -0.04 0.19 5.19 -1.93 -3.30 116.42 116.52 3d2u h ASP 162 Ca -0.09 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.24 3d2u h ASP 162 Cb 1.67 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.19 3d2u h ASP 162 CO 0.08 0.56 -0.27 0.74 -3.12 0.00 0.00 179.24 177.24 3d2u h THR 163 N 0.00 1.46 -0.89 0.35 2.02 -1.60 -3.16 112.91 111.10 3d2u h THR 163 Ca -0.09 -1.76 0.04 0.00 0.77 0.00 0.00 66.41 65.37 3d2u h THR 163 Cb 1.51 2.47 -0.06 0.00 -1.74 0.00 0.00 68.15 70.33 3d2u h THR 163 CO 0.06 0.49 0.57 0.71 0.37 0.00 0.00 175.52 177.72 3d2u h THR 164 N -0.30 1.12 -0.40 3.16 1.35 -1.38 -0.79 112.91 115.67 3d2u h THR 164 Ca -0.02 -0.37 -0.03 0.00 -0.55 0.00 0.00 66.41 65.43 3d2u h THR 164 Cb 0.95 -0.06 -0.02 0.00 -1.73 0.00 0.00 68.15 67.29 3d2u h THR 164 CO 0.06 0.20 0.12 0.16 -0.25 0.00 0.00 175.52 175.80 3d2u h ILE 165 N 1.09 1.17 -0.59 6.82 -0.00 -1.64 0.20 117.51 124.55 3d2u h ILE 165 Ca 0.36 -0.59 -0.09 0.00 -0.00 0.00 0.00 64.86 64.54 3d2u h ILE 165 Cb 0.05 0.75 -0.02 0.00 -0.00 0.00 0.00 36.82 37.59 3d2u h ILE 165 CO -0.13 0.22 0.02 1.56 -0.00 0.00 0.00 178.15 179.81 3d2u h GLN 166 N 0.57 1.03 -0.57 0.16 1.08 -1.17 -2.08 115.11 114.14 3d2u h GLN 166 Ca 0.14 -0.32 -0.07 0.00 -1.45 0.00 0.00 58.65 56.94 3d2u h GLN 166 Cb 0.19 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 3d2u h GLN 166 CO -0.01 1.01 0.06 -0.09 -0.95 0.00 0.00 178.83 178.85 3d2u h ARG 167 N 0.92 0.93 0.00 1.46 2.43 0.14 -2.36 114.38 117.91 3d2u h ARG 167 Ca 0.17 -0.24 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 3d2u h ARG 167 Cb 0.53 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3d2u h ARG 167 CO 0.03 0.89 -0.46 -0.91 -1.51 0.00 0.00 179.97 178.00 3d2u h ASN 168 N 0.87 0.00 -0.14 -3.80 2.35 -0.52 -0.45 115.58 113.90 3d2u h ASN 168 Ca 0.17 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.85 3d2u h ASN 168 Cb 0.43 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 3d2u h ASN 168 CO 0.01 0.46 -0.19 0.22 -1.65 0.00 0.00 177.43 176.28 3d2u h TYR 169 N 0.00 0.46 -0.58 1.19 3.20 -1.15 1.28 116.97 121.38 3d2u h TYR 169 Ca -0.00 -0.15 0.01 0.00 3.14 0.00 0.00 58.73 61.72 3d2u h TYR 169 Cb 0.98 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 3d2u h TYR 169 CO 0.00 0.81 0.38 -0.07 -1.64 0.00 0.00 178.16 177.64 3d2u h LEU 170 N -0.02 0.66 0.00 2.82 3.38 -1.20 0.18 115.31 121.12 3d2u h LEU 170 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d2u h LEU 170 Cb 0.76 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3d2u h LEU 170 CO 0.05 0.47 -0.45 0.11 0.09 0.00 0.00 178.44 178.71 3d2u h LYS 171 N 0.78 0.00 0.00 1.13 1.57 -1.07 -3.27 116.57 115.70 3d2u h LYS 171 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3d2u h LYS 171 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3d2u h LYS 171 CO -0.05 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.24 3d2u n GLY 172 N 1.14 0.31 0.36 3.86 0.00 0.44 -4.57 105.19 106.73 3d2u n GLY 172 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.15 3d2u n GLY 172 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3d2u h ASN 173 N 0.00 0.57 -0.64 1.61 4.21 -1.63 -1.77 115.58 117.94 3d2u h ASN 173 Ca 0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 3d2u h ASN 173 Cb 0.00 -0.10 -0.03 0.00 -1.12 0.00 0.00 38.32 37.07 3d2u h ASN 173 CO 0.00 0.33 0.40 0.00 -1.29 0.00 0.00 177.43 176.87 3d2u h THR 175 N 0.86 0.41 0.12 0.00 1.35 -1.42 -2.49 112.91 111.74 3d2u h THR 175 Ca 0.23 -1.25 -0.28 0.00 -0.55 0.00 0.00 66.41 64.56 3d2u h THR 175 Cb -0.06 1.93 0.01 0.00 -1.73 0.00 0.00 68.15 68.31 3d2u h THR 175 CO -0.05 0.20 -1.22 1.56 -0.25 0.00 0.00 175.52 175.76 3d2u h GLN 176 N 0.00 0.41 0.00 4.72 4.20 -0.45 -2.87 115.11 121.13 3d2u h GLN 176 Ca -0.00 -0.60 0.00 0.00 0.06 0.00 0.00 58.65 58.10 3d2u h GLN 176 Cb 0.91 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.90 3d2u h GLN 176 CO 0.03 1.26 0.00 -1.49 -0.67 0.00 0.00 178.83 177.96 3d2u h TRP 177 N 0.16 0.00 -0.39 2.96 4.06 0.04 -2.92 115.95 119.85 3d2u h TRP 177 Ca -0.15 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.65 3d2u h TRP 177 Cb 1.91 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 30.06 3d2u h TRP 177 CO 0.08 0.00 -0.32 0.77 -3.56 0.00 0.00 178.44 175.41 3d2u h SER 178 N 0.00 0.93 -0.18 -3.49 0.02 -1.41 0.56 113.55 109.99 3d2u h SER 178 Ca 0.00 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.54 3d2u h SER 178 Cb 0.93 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 3d2u h SER 178 CO 0.00 1.17 0.06 -0.37 -1.14 0.00 0.00 176.83 176.54 3d2u h VAL 179 N 0.74 1.19 0.23 2.27 -1.51 -1.33 -0.89 116.25 116.94 3d2u h VAL 179 Ca 0.08 -0.58 0.01 0.00 -1.23 0.00 0.00 66.70 64.98 3d2u h VAL 179 Cb 0.89 1.24 -0.03 0.00 -2.13 0.00 0.00 31.29 31.26 3d2u h VAL 179 CO 0.08 0.18 -0.36 0.40 -1.23 0.00 0.00 177.57 176.64 3d2u h ILE 180 N 0.11 0.26 -0.87 7.19 1.08 -1.37 -1.85 117.51 122.07 3d2u h ILE 180 Ca 0.06 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.72 3d2u h ILE 180 Cb 0.23 0.26 -0.06 0.00 -3.07 0.00 0.00 36.82 34.17 3d2u h ILE 180 CO -0.00 0.00 0.58 1.88 -0.69 0.00 0.00 178.15 179.92 3d2u h TYR 181 N -0.66 0.51 -0.65 1.37 0.05 -0.77 0.79 116.97 117.61 3d2u h TYR 181 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3d2u h TYR 181 Cb 0.64 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.19 3d2u h TYR 181 CO -0.27 0.15 0.41 1.03 -1.05 0.00 0.00 178.16 178.43 3d2u h SER 182 N 0.40 0.76 0.90 3.88 0.87 -0.32 -1.42 113.55 118.62 3d2u h SER 182 Ca 0.45 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 3d2u h SER 182 Cb 1.12 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 3d2u h SER 182 CO -0.16 0.56 0.00 0.61 -0.53 0.00 0.00 176.83 177.31 3d2u n GLY 183 N -1.39 -1.35 0.02 5.77 0.00 0.27 -3.73 105.19 104.77 3d2u n GLY 183 Ca 0.07 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.09 3d2u n GLY 183 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3d2u n PHE 184 N -1.95 0.00 -1.29 1.61 3.01 -0.75 -5.04 117.46 113.05 3d2u n PHE 184 Ca 0.04 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.15 3d2u n PHE 184 Cb 0.28 -0.36 0.10 0.00 -0.01 0.00 0.00 39.48 39.50 3d2u n PHE 184 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3d2u n GLN 185 N -2.10 0.45 -0.81 -1.08 10.64 -0.61 -4.87 117.38 119.01 3d2u n GLN 185 Ca -0.08 0.22 -0.29 0.00 -1.83 0.00 0.00 57.00 55.02 3d2u n GLN 185 Cb 0.53 -2.38 0.21 0.00 -0.86 0.00 0.00 30.24 27.73 3d2u n GLN 185 CO 0.00 0.00 0.00 -2.14 -1.83 0.00 0.00 177.06 173.09 3d2u s PRO 186 N -3.73 -0.12 0.78 2.61 0.02 -1.26 -5.03 135.00 128.26 3d2u s PRO 186 Ca 0.75 0.82 -0.09 0.00 0.02 0.00 0.00 61.00 62.49 3d2u s PRO 186 Cb -0.32 -1.65 0.09 0.00 0.02 0.00 0.00 34.50 32.64 3d2u s PRO 186 CO 0.49 -3.18 1.11 -1.25 -0.33 0.00 0.00 177.00 173.83 3d2u s PRO 187 N -4.67 1.85 0.14 5.54 0.04 -1.26 -4.96 135.00 131.68 3d2u s PRO 187 Ca 0.67 -0.23 -0.34 0.00 0.04 0.00 0.00 61.00 61.14 3d2u s PRO 187 Cb -0.22 -2.07 -0.14 0.00 0.04 0.00 0.00 34.50 32.11 3d2u s PRO 187 CO 0.61 -1.54 1.57 0.28 0.04 0.00 0.00 177.00 177.96 3d2u n VAL 188 N -3.16 0.03 -4.07 -0.36 0.31 -1.26 -4.89 118.33 104.93 3d2u n VAL 188 Ca 0.10 -0.01 -0.32 0.00 -0.01 0.00 0.00 64.34 64.10 3d2u n VAL 188 Cb 0.60 -1.49 -0.15 0.00 -0.91 0.00 0.00 33.84 31.89 3d2u n VAL 188 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3d2u s THR 189 N 1.05 2.21 0.48 2.52 2.01 0.16 -5.01 115.64 119.07 3d2u s THR 189 Ca 0.80 -1.49 -0.20 0.00 0.31 0.00 0.00 61.69 61.11 3d2u s THR 189 Cb -0.70 -2.24 -0.09 0.00 0.01 0.00 0.00 72.50 69.48 3d2u s THR 189 CO 0.39 0.07 1.02 -1.00 -0.69 0.00 0.00 174.62 174.41 3d2u s HIS 190 N 1.15 3.07 0.69 4.92 3.76 -1.26 -1.28 115.29 126.33 3d2u s HIS 190 Ca -0.06 1.58 -0.11 0.00 -0.15 0.00 0.00 55.06 56.32 3d2u s HIS 190 Cb -0.19 -3.02 0.00 0.00 1.11 0.00 0.00 32.58 30.49 3d2u s HIS 190 CO -0.06 -0.68 1.06 -1.25 -0.85 0.00 0.00 174.74 172.95 3d2u s PRO 191 N -3.26 3.00 -0.14 8.40 0.04 -1.26 -4.66 135.00 137.12 3d2u s PRO 191 Ca 0.66 0.93 -0.17 0.00 0.04 0.00 0.00 61.00 62.45 3d2u s PRO 191 Cb -0.15 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 3d2u s PRO 191 CO 0.19 -1.05 0.43 0.08 0.04 0.00 0.00 177.00 176.70 3d2u s VAL 192 N -3.06 5.21 -0.08 -0.36 1.01 -0.61 -4.86 120.40 117.65 3d2u s VAL 192 Ca 0.58 0.84 0.03 0.00 0.00 0.00 0.00 61.98 63.43 3d2u s VAL 192 Cb -0.14 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 3d2u s VAL 192 CO 0.55 0.32 -0.15 -0.69 0.00 0.00 0.00 175.10 175.13 3d2u s VAL 193 N 0.71 2.93 0.00 2.92 1.01 -1.26 -0.87 120.40 125.84 3d2u s VAL 193 Ca 0.23 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.48 3d2u s VAL 193 Cb -0.15 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 3d2u s VAL 193 CO 0.09 0.56 -0.04 -0.75 0.00 0.00 0.00 175.10 174.96 3d2u s LYS 194 N -0.25 0.33 0.25 2.72 2.20 -0.62 -5.00 119.74 119.36 3d2u s LYS 194 Ca 0.01 -0.20 -0.13 0.00 -0.36 0.00 0.00 55.97 55.29 3d2u s LYS 194 Cb -0.13 -0.29 -0.00 0.00 -1.51 0.00 0.00 37.83 35.90 3d2u s LYS 194 CO 0.03 0.08 0.49 0.20 -0.36 0.00 0.00 175.35 175.78 3d2u s GLY 195 N -0.25 0.50 0.00 5.54 0.00 -1.26 -0.53 107.32 111.32 3d2u s GLY 195 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.87 3d2u s GLY 195 CO -0.00 -0.60 0.00 0.61 0.00 0.00 0.00 173.10 173.11 3d2u n GLY 196 N -0.38 -1.12 3.24 0.20 0.00 -0.76 -4.91 105.19 101.45 3d2u n GLY 196 Ca -0.02 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 44.91 3d2u n GLY 196 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d2u s VAL 197 N -3.00 1.43 0.37 1.61 -7.23 -1.24 -1.03 120.40 111.30 3d2u s VAL 197 Ca 0.00 -1.51 -0.07 0.00 -1.81 0.00 0.00 61.98 58.59 3d2u s VAL 197 Cb 0.00 -1.39 0.03 0.00 0.56 0.00 0.00 36.38 35.58 3d2u s VAL 197 CO 0.00 -0.20 0.60 -2.11 -0.31 0.00 0.00 175.10 173.08 3d2u n ARG 198 N 1.00 0.87 -3.93 4.82 1.85 0.35 -4.97 116.66 116.66 3d2u n ARG 198 Ca -0.19 -2.55 -0.38 0.00 -1.00 0.00 0.00 57.85 53.73 3d2u n ARG 198 Cb 0.55 2.71 0.02 0.00 -1.05 0.00 0.00 32.46 34.68 3d2u n ARG 198 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3d2u n ASN 199 N -1.58 -3.81 -4.75 2.89 3.02 -1.26 -1.15 115.26 108.62 3d2u n ASN 199 Ca -0.03 -1.16 -0.41 0.00 -0.03 0.00 0.00 54.58 52.95 3d2u n ASN 199 Cb 0.58 -2.48 -0.02 0.00 -0.61 0.00 0.00 39.78 37.26 3d2u n ASN 199 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3d2u s GLN 200 N -6.78 4.14 -0.25 3.52 2.00 -1.26 -4.28 119.66 116.75 3d2u s GLN 200 Ca 0.40 2.54 -0.04 0.00 -2.00 0.00 0.00 55.36 56.26 3d2u s GLN 200 Cb -0.18 -3.04 0.09 0.00 0.80 0.00 0.00 33.01 30.68 3d2u s GLN 200 CO 0.92 -0.61 0.15 1.21 -0.50 0.00 0.00 175.29 176.46 3d2u s ASN 201 N 0.50 2.83 1.57 6.67 3.84 0.49 -4.98 114.94 125.86 3d2u s ASN 201 Ca 0.63 -0.96 0.00 0.00 0.21 0.00 0.00 52.86 52.74 3d2u s ASN 201 Cb -0.47 -0.16 0.00 0.00 -0.55 0.00 0.00 41.25 40.07 3d2u s ASN 201 CO 0.47 -0.40 0.00 -0.67 -2.79 0.00 0.00 177.10 173.71 3d2u n ASP 202 N 5.27 0.00 -0.93 -4.21 2.03 -1.26 -0.59 116.55 116.86 3d2u n ASP 202 Ca -0.06 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.31 3d2u n ASP 202 Cb 0.45 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 41.05 3d2u n ASP 202 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3d2u n ASN 203 N 3.94 2.67 -4.77 1.67 6.94 -1.26 -4.90 115.26 119.55 3d2u n ASN 203 Ca 0.00 -2.14 -0.24 0.00 -0.02 0.00 0.00 54.58 52.18 3d2u n ASN 203 Cb 0.00 -0.37 -0.06 0.00 -2.36 0.00 0.00 39.78 36.99 3d2u n ASN 203 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3d2u s ARG 204 N -1.58 2.77 0.32 -3.83 3.52 0.24 -0.78 118.95 119.60 3d2u s ARG 204 Ca 0.29 -1.04 -0.17 0.00 -0.13 0.00 0.00 55.73 54.68 3d2u s ARG 204 Cb 0.17 -2.52 0.03 0.00 -1.56 0.00 0.00 34.95 31.08 3d2u s ARG 204 CO 0.17 0.43 0.71 0.00 -0.81 0.00 0.00 175.30 175.80 3d2u s ALA 205 N -1.97 -0.86 -0.15 6.12 0.00 0.11 -0.38 121.76 124.64 3d2u s ALA 205 Ca 0.31 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.71 3d2u s ALA 205 Cb -0.09 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.87 3d2u s ALA 205 CO 0.23 -0.99 -0.21 -2.00 0.00 0.00 0.00 175.76 172.79 3d2u s GLU 206 N -3.31 2.98 0.03 0.00 2.12 -0.30 -1.05 118.70 119.17 3d2u s GLU 206 Ca 0.15 -0.84 -0.10 0.00 0.36 0.00 0.00 54.97 54.54 3d2u s GLU 206 Cb -0.05 -2.45 -0.05 0.00 0.26 0.00 0.00 34.13 31.84 3d2u s GLU 206 CO 0.09 -0.07 0.36 0.00 -0.54 0.00 0.00 175.26 175.10 3d2u s ALA 207 N 0.94 3.76 0.07 6.30 0.00 -0.24 -0.49 121.76 132.10 3d2u s ALA 207 Ca -0.04 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.53 3d2u s ALA 207 Cb -0.15 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 3d2u s ALA 207 CO -0.05 0.57 -0.06 -0.59 0.00 0.00 0.00 175.76 175.63 3d2u s PHE 208 N -1.28 0.73 -0.28 0.00 -0.12 -0.20 -1.00 117.98 115.83 3d2u s PHE 208 Ca 0.28 -0.86 -0.08 0.00 -0.05 0.00 0.00 56.93 56.22 3d2u s PHE 208 Cb -0.14 -0.45 0.13 0.00 -0.63 0.00 0.00 43.02 41.93 3d2u s PHE 208 CO 0.16 -0.20 0.59 0.00 -0.05 0.00 0.00 175.22 175.72 3d2u s THR 210 N 2.82 1.81 -0.13 0.00 2.01 0.31 -1.40 115.64 121.07 3d2u s THR 210 Ca -0.03 -1.01 -0.02 0.00 0.31 0.00 0.00 61.69 60.94 3d2u s THR 210 Cb -0.12 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 3d2u s THR 210 CO -0.18 0.49 -0.05 -0.44 -0.69 0.00 0.00 174.62 173.75 3d2u s SER 211 N -0.61 4.71 -0.01 3.53 0.01 0.65 -1.59 113.70 120.39 3d2u s SER 211 Ca 0.09 -0.11 0.08 0.00 1.31 0.00 0.00 55.95 57.32 3d2u s SER 211 Cb -0.09 -1.62 -0.02 0.00 0.21 0.00 0.00 66.02 64.50 3d2u s SER 211 CO -0.01 0.22 -0.24 -0.31 0.41 0.00 0.00 173.24 173.31 3d2u s TYR 212 N 0.04 2.18 -1.34 2.43 1.51 -0.05 -1.78 117.35 120.35 3d2u s TYR 212 Ca -0.00 -0.41 -0.04 0.00 -1.01 0.00 0.00 57.07 55.60 3d2u s TYR 212 Cb -0.14 -1.39 0.02 0.00 -0.11 0.00 0.00 41.96 40.34 3d2u s TYR 212 CO 0.03 -0.02 0.92 0.41 -1.11 0.00 0.00 175.55 175.78 3d2u n GLY 213 N 2.39 -0.39 3.80 0.71 0.00 -0.59 -1.58 105.19 109.54 3d2u n GLY 213 Ca -0.16 0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 3d2u n GLY 213 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3d2u s PHE 214 N -3.46 3.19 -0.25 1.61 -0.12 -1.04 -4.53 117.98 113.38 3d2u s PHE 214 Ca 0.24 0.02 -0.14 0.00 -0.05 0.00 0.00 56.93 56.99 3d2u s PHE 214 Cb -0.11 -1.55 0.07 0.00 -0.63 0.00 0.00 43.02 40.80 3d2u s PHE 214 CO 0.78 0.52 0.61 0.12 -0.05 0.00 0.00 175.22 177.20 3d2u s PHE 215 N -1.66 -0.93 1.20 3.49 5.36 -0.40 0.29 117.98 125.32 3d2u s PHE 215 Ca 0.31 1.89 -0.16 0.00 -0.96 0.00 0.00 56.93 58.01 3d2u s PHE 215 Cb -0.11 0.53 0.28 0.00 -0.34 0.00 0.00 43.02 43.39 3d2u s PHE 215 CO 0.23 -0.47 1.04 -2.14 -1.46 0.00 0.00 175.22 172.42 3d2u s PRO 216 N 1.55 -1.16 0.49 10.12 0.02 -1.26 0.38 135.00 145.14 3d2u s PRO 216 Ca -0.10 0.40 0.30 0.00 0.02 0.00 0.00 61.00 61.62 3d2u s PRO 216 Cb -0.06 -1.56 1.02 0.00 0.02 0.00 0.00 34.50 33.91 3d2u s PRO 216 CO -0.18 -3.77 1.85 0.78 -0.33 0.00 0.00 177.00 175.35 3d2u h GLY 217 N -2.64 0.00 -4.00 0.52 0.00 -1.89 -3.46 103.07 91.61 3d2u h GLY 217 Ca -0.53 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.28 3d2u h GLY 217 CO 0.45 0.00 0.51 1.85 0.00 0.00 0.00 176.54 179.35 3d2u s GLU 218 N -3.49 4.57 0.11 4.80 2.56 -1.26 -5.00 118.70 120.99 3d2u s GLU 218 Ca 0.03 1.82 -0.24 0.00 0.00 0.00 0.00 54.97 56.59 3d2u s GLU 218 Cb 0.08 -3.22 0.07 0.00 2.00 0.00 0.00 34.13 33.05 3d2u s GLU 218 CO 0.57 0.06 0.59 -1.50 -0.56 0.00 0.00 175.26 174.42 3d2u s ILE 219 N -0.55 0.01 -0.09 -3.70 2.07 -1.26 -4.57 121.20 113.11 3d2u s ILE 219 Ca 0.49 -0.07 0.01 0.00 -1.41 0.00 0.00 60.65 59.67 3d2u s ILE 219 Cb -0.32 -1.01 0.02 0.00 0.13 0.00 0.00 42.46 41.28 3d2u s ILE 219 CO 0.38 -0.04 -0.09 -1.58 -1.91 0.00 0.00 174.94 171.71 3d2u s GLN 220 N -3.21 1.48 -0.18 3.50 0.74 -0.49 -5.00 119.66 116.50 3d2u s GLN 220 Ca -0.01 -0.28 0.01 0.00 0.05 0.00 0.00 55.36 55.12 3d2u s GLN 220 Cb -0.01 -1.41 0.03 0.00 1.10 0.00 0.00 33.01 32.72 3d2u s GLN 220 CO -0.08 -0.14 -0.16 0.42 -0.55 0.00 0.00 175.29 174.78 3d2u s ILE 221 N 1.24 1.83 0.04 -2.34 1.09 -1.26 -0.80 121.20 120.99 3d2u s ILE 221 Ca -0.04 -0.89 0.03 0.00 -1.10 0.00 0.00 60.65 58.65 3d2u s ILE 221 Cb -0.14 -1.73 -0.02 0.00 -1.06 0.00 0.00 42.46 39.51 3d2u s ILE 221 CO -0.03 0.41 -0.10 -0.89 -0.10 0.00 0.00 174.94 174.23 3d2u s THR 222 N 1.36 0.78 -0.16 2.92 2.01 -0.03 -5.00 115.64 117.53 3d2u s THR 222 Ca 0.03 -0.97 -0.09 0.00 0.31 0.00 0.00 61.69 60.97 3d2u s THR 222 Cb -0.14 -0.77 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 3d2u s THR 222 CO -0.11 -0.17 0.15 -0.36 -0.69 0.00 0.00 174.62 173.44 3d2u s PHE 223 N -1.03 3.50 -0.24 4.92 0.40 -1.26 -0.18 117.98 124.09 3d2u s PHE 223 Ca -0.04 0.44 -0.05 0.00 -0.60 0.00 0.00 56.93 56.69 3d2u s PHE 223 Cb -0.08 -2.08 -0.01 0.00 0.51 0.00 0.00 43.02 41.35 3d2u s PHE 223 CO 0.01 0.48 0.01 0.42 0.70 0.00 0.00 175.22 176.84 3d2u s ILE 224 N -0.24 3.74 -0.43 0.64 -1.09 0.16 -4.94 121.20 119.03 3d2u s ILE 224 Ca 0.12 -0.44 -0.21 0.00 -2.23 0.00 0.00 60.65 57.88 3d2u s ILE 224 Cb -0.12 -2.76 0.02 0.00 -1.58 0.00 0.00 42.46 38.02 3d2u s ILE 224 CO 0.01 0.33 0.66 -2.28 -1.23 0.00 0.00 174.94 172.43 3d2u s HIS 225 N 1.52 3.06 -0.99 3.97 5.65 -1.26 -1.50 115.29 125.74 3d2u s HIS 225 Ca 0.05 -0.01 -0.12 0.00 0.25 0.00 0.00 55.06 55.23 3d2u s HIS 225 Cb -0.15 -3.37 0.24 0.00 -1.18 0.00 0.00 32.58 28.12 3d2u s HIS 225 CO -0.00 -0.87 0.99 0.71 -0.65 0.00 0.00 174.74 174.92 3d2u s TYR 226 N 2.86 3.96 -2.53 3.88 1.51 0.49 -4.89 117.35 122.62 3d2u s TYR 226 Ca 0.23 -2.31 0.00 0.00 -1.01 0.00 0.00 57.07 53.99 3d2u s TYR 226 Cb -0.14 -3.88 0.00 0.00 -0.11 0.00 0.00 41.96 37.83 3d2u s TYR 226 CO 0.19 -1.02 0.00 0.41 -1.11 0.00 0.00 175.55 174.02 3d2u n GLY 227 N 3.45 -0.97 0.00 0.71 0.00 -1.26 -3.67 105.19 103.45 3d2u n GLY 227 Ca 0.20 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3d2u n GLY 227 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d2u n ASP 228 N 0.86 3.24 -4.65 1.61 -0.08 -1.26 -5.05 116.55 111.22 3d2u n ASP 228 Ca 0.00 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.87 3d2u n ASP 228 Cb 0.00 0.24 -0.05 0.00 2.34 0.00 0.00 41.12 43.64 3d2u n ASP 228 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 3d2u s LYS 229 N -1.69 4.19 -0.00 -0.67 -0.14 -1.26 -5.06 119.74 115.11 3d2u s LYS 229 Ca 0.00 0.74 0.02 0.00 -1.36 0.00 0.00 55.97 55.37 3d2u s LYS 229 Cb 0.00 -3.62 -0.01 0.00 -1.68 0.00 0.00 37.83 32.53 3d2u s LYS 229 CO 0.00 -0.38 -0.06 0.14 -0.76 0.00 0.00 175.35 174.29 3d2u s VAL 230 N 2.36 0.48 0.61 3.17 -7.23 -1.26 -4.61 120.40 113.92 3d2u s VAL 230 Ca 0.31 -0.33 -0.18 0.00 -1.81 0.00 0.00 61.98 59.97 3d2u s VAL 230 Cb -0.16 -0.42 -0.04 0.00 0.56 0.00 0.00 36.38 36.33 3d2u s VAL 230 CO 0.09 0.09 1.10 -2.65 -0.31 0.00 0.00 175.10 173.43 3d2u n PRO 231 N 2.81 1.02 -0.35 4.82 -0.02 -1.26 -4.89 135.00 137.12 3d2u n PRO 231 Ca -0.14 0.40 -0.02 0.00 -2.02 0.00 0.00 63.50 61.72 3d2u n PRO 231 Cb 0.58 -2.32 0.11 0.00 -0.02 0.00 0.00 33.50 31.85 3d2u n PRO 231 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3d2u h GLU 232 N 0.56 1.20 -0.00 -0.52 4.57 -2.00 -2.19 114.58 116.19 3d2u h GLU 232 Ca -0.49 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.61 3d2u h GLU 232 Cb 1.35 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3d2u h GLU 232 CO 0.52 0.79 -0.10 -0.40 -1.18 0.00 0.00 179.01 178.64 3d2u n ASP 233 N -4.46 0.45 -4.76 1.04 5.75 -1.26 -4.92 116.55 108.39 3d2u n ASP 233 Ca 0.12 -0.57 -0.41 0.00 -0.01 0.00 0.00 54.79 53.92 3d2u n ASP 233 Cb 0.05 -0.08 -0.02 0.00 -1.03 0.00 0.00 41.12 40.04 3d2u n ASP 233 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3d2u s SER 234 N -2.47 6.58 -0.30 -1.12 0.15 -0.83 -4.97 113.70 110.75 3d2u s SER 234 Ca 0.29 2.78 -0.12 0.00 0.70 0.00 0.00 55.95 59.60 3d2u s SER 234 Cb 0.20 -2.64 0.15 0.00 -1.71 0.00 0.00 66.02 62.02 3d2u s SER 234 CO 0.47 -0.72 0.80 -0.70 1.20 0.00 0.00 173.24 174.29 3d2u s GLU 235 N -1.02 0.45 0.52 5.44 2.12 -1.26 -4.99 118.70 119.96 3d2u s GLU 235 Ca 0.56 1.11 -0.22 0.00 0.36 0.00 0.00 54.97 56.79 3d2u s GLU 235 Cb -0.43 0.67 -0.05 0.00 0.26 0.00 0.00 34.13 34.58 3d2u s GLU 235 CO 0.50 -0.16 1.30 -2.14 -0.54 0.00 0.00 175.26 174.21 3d2u s PRO 236 N 2.70 3.30 -0.11 4.30 0.02 -1.26 -4.64 135.00 139.30 3d2u s PRO 236 Ca -0.04 2.09 -0.11 0.00 0.02 0.00 0.00 61.00 62.97 3d2u s PRO 236 Cb -0.09 -2.28 0.03 0.00 0.02 0.00 0.00 34.50 32.17 3d2u s PRO 236 CO -0.18 -1.01 0.30 -1.14 -0.33 0.00 0.00 177.00 174.63 3d2u s GLN 237 N -2.87 0.35 0.08 5.54 2.00 -0.35 -5.00 119.66 119.41 3d2u s GLN 237 Ca 0.70 0.42 0.09 0.00 -2.00 0.00 0.00 55.36 54.56 3d2u s GLN 237 Cb -0.37 0.17 -0.03 0.00 0.80 0.00 0.00 33.01 33.58 3d2u s GLN 237 CO 0.43 -0.04 -0.22 0.00 -0.50 0.00 0.00 175.29 174.96 3d2u s ASN 239 N -1.69 3.34 0.89 0.00 0.01 0.77 -4.97 114.94 113.29 3d2u s ASN 239 Ca 0.15 0.75 -0.11 0.00 -0.71 0.00 0.00 52.86 52.93 3d2u s ASN 239 Cb -0.10 -1.16 0.12 0.00 0.41 0.00 0.00 41.25 40.52 3d2u s ASN 239 CO 0.06 -2.63 1.10 -2.84 -1.51 0.00 0.00 177.10 171.27 3d2u s PRO 240 N -5.48 1.31 -0.16 -0.60 0.02 -1.26 -4.63 135.00 124.21 3d2u s PRO 240 Ca 0.66 1.04 -0.29 0.00 0.02 0.00 0.00 61.00 62.43 3d2u s PRO 240 Cb -0.11 -1.80 -0.01 0.00 0.02 0.00 0.00 34.50 32.60 3d2u s PRO 240 CO 0.53 -2.27 1.18 -1.17 -0.33 0.00 0.00 177.00 174.94 3d2u s LEU 241 N -6.29 4.18 0.06 -5.54 2.96 -1.26 -4.65 118.68 108.14 3d2u s LEU 241 Ca 0.64 1.62 0.08 0.00 -0.22 0.00 0.00 54.13 56.25 3d2u s LEU 241 Cb -0.19 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 3d2u s LEU 241 CO 0.57 -0.69 -0.21 -0.76 -1.32 0.00 0.00 176.35 173.95 3d2u s LEU 242 N 3.11 2.48 0.29 -0.68 1.43 -0.25 -4.95 118.68 120.13 3d2u s LEU 242 Ca 0.52 -0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 53.04 3d2u s LEU 242 Cb -0.20 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.53 3d2u s LEU 242 CO 0.14 0.24 0.57 -2.16 0.23 0.00 0.00 176.35 175.37 3d2u s PRO 243 N -1.57 3.66 0.23 1.29 0.04 -1.26 -0.48 135.00 136.91 3d2u s PRO 243 Ca 0.14 0.08 0.09 0.00 0.04 0.00 0.00 61.00 61.35 3d2u s PRO 243 Cb -0.10 -2.62 -0.05 0.00 0.04 0.00 0.00 34.50 31.77 3d2u s PRO 243 CO 0.05 0.20 -0.17 0.95 0.04 0.00 0.00 177.00 178.07 3d2u s THR 244 N -2.08 2.03 0.28 1.26 -4.23 -0.34 -4.91 115.64 107.65 3d2u s THR 244 Ca 0.45 -2.26 0.02 0.00 -1.18 0.00 0.00 61.69 58.72 3d2u s THR 244 Cb -0.11 -2.12 0.28 0.00 1.34 0.00 0.00 72.50 71.89 3d2u s THR 244 CO 0.29 -0.49 1.69 0.25 -0.54 0.00 0.00 174.62 175.82 3d2u h LEU 245 N 2.53 0.22 -0.03 4.79 5.85 -2.00 -1.91 115.31 124.76 3d2u h LEU 245 Ca -0.39 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3d2u h LEU 245 Cb 1.23 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.43 3d2u h LEU 245 CO 0.60 -0.03 0.00 -0.90 -0.34 0.00 0.00 178.44 177.77 3d2u n ASP 246 N -5.09 0.01 0.00 1.25 5.75 -1.26 -4.80 116.55 112.41 3d2u n ASP 246 Ca 0.20 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 54.03 3d2u n ASP 246 Cb 0.62 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 3d2u n ASP 246 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d2u n GLY 247 N -0.02 0.58 3.88 6.12 0.00 -0.72 -4.94 105.19 110.10 3d2u n GLY 247 Ca 0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 3d2u n GLY 247 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d2u s THR 248 N -2.00 1.58 0.41 2.61 -4.23 -1.25 -4.83 115.64 107.93 3d2u s THR 248 Ca 0.00 -1.58 0.06 0.00 -1.18 0.00 0.00 61.69 58.99 3d2u s THR 248 Cb 0.00 -2.16 -0.07 0.00 1.34 0.00 0.00 72.50 71.61 3d2u s THR 248 CO 0.00 0.00 0.02 -0.36 -0.54 0.00 0.00 174.62 173.74 3d2u s PHE 249 N -2.79 2.35 -0.04 3.99 0.08 0.15 -1.20 117.98 120.52 3d2u s PHE 249 Ca 0.29 -0.76 -0.04 0.00 0.12 0.00 0.00 56.93 56.55 3d2u s PHE 249 Cb -0.02 -1.68 0.01 0.00 -0.57 0.00 0.00 43.02 40.76 3d2u s PHE 249 CO 0.18 0.35 0.11 -1.58 -0.10 0.00 0.00 175.22 174.18 3d2u s HIS 250 N -2.82 -0.12 -0.24 0.36 5.65 0.37 -1.53 115.29 116.96 3d2u s HIS 250 Ca 0.31 0.29 -0.11 0.00 0.25 0.00 0.00 55.06 55.80 3d2u s HIS 250 Cb 0.09 0.04 0.08 0.00 -1.18 0.00 0.00 32.58 31.61 3d2u s HIS 250 CO 0.16 -0.06 0.56 -1.14 -0.65 0.00 0.00 174.74 173.61 3d2u s GLN 251 N 0.06 0.53 0.05 2.88 0.74 -0.73 -1.09 119.66 122.09 3d2u s GLN 251 Ca -0.00 1.11 0.07 0.00 0.05 0.00 0.00 55.36 56.59 3d2u s GLN 251 Cb -0.01 0.26 -0.03 0.00 1.10 0.00 0.00 33.01 34.33 3d2u s GLN 251 CO 0.00 -0.18 -0.16 0.20 -0.55 0.00 0.00 175.29 174.61 3d2u s GLY 252 N 1.96 1.63 0.14 2.59 0.00 -1.26 -0.25 107.32 112.11 3d2u s GLY 252 Ca -0.08 -1.19 0.01 0.00 0.00 0.00 0.00 44.72 43.47 3d2u s GLY 252 CO -0.17 -1.09 -0.01 0.00 0.00 0.00 0.00 173.10 171.83 3d2u s TYR 254 N -3.71 0.10 -0.07 0.00 -0.85 0.92 -1.68 117.35 112.06 3d2u s TYR 254 Ca 0.19 -0.50 -0.13 0.00 -0.52 0.00 0.00 57.07 56.11 3d2u s TYR 254 Cb 0.06 0.01 0.03 0.00 0.38 0.00 0.00 41.96 42.44 3d2u s TYR 254 CO -0.00 -0.60 0.32 0.08 -1.52 0.00 0.00 175.55 173.82 3d2u s VAL 255 N -3.86 0.03 -0.17 -3.49 1.01 -0.17 -1.21 120.40 112.53 3d2u s VAL 255 Ca 0.06 -0.22 -0.25 0.00 0.00 0.00 0.00 61.98 61.56 3d2u s VAL 255 Cb 0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 3d2u s VAL 255 CO -0.10 -0.12 0.84 0.00 0.00 0.00 0.00 175.10 175.72 3d2u s ALA 256 N -0.51 3.51 0.22 5.51 0.00 -1.26 -1.07 121.76 128.16 3d2u s ALA 256 Ca -0.06 0.05 0.04 0.00 0.00 0.00 0.00 51.96 51.99 3d2u s ALA 256 Cb -0.04 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 3d2u s ALA 256 CO 0.02 -0.65 -0.03 0.96 0.00 0.00 0.00 175.76 176.06 3d2u s ILE 257 N 2.15 1.14 -0.03 0.00 -4.36 -0.22 -4.49 121.20 115.39 3d2u s ILE 257 Ca 0.39 -2.05 -0.24 0.00 -0.26 0.00 0.00 60.65 58.48 3d2u s ILE 257 Cb -0.17 -2.28 -0.04 0.00 1.25 0.00 0.00 42.46 41.22 3d2u s ILE 257 CO 0.12 -0.39 0.74 -0.36 0.24 0.00 0.00 174.94 175.30 3d2u s PHE 258 N -3.35 3.63 -1.34 1.37 2.99 -1.26 0.09 117.98 120.11 3d2u s PHE 258 Ca 0.27 1.34 0.00 0.00 0.00 0.00 0.00 56.93 58.54 3d2u s PHE 258 Cb 0.05 -2.83 0.00 0.00 0.00 0.00 0.00 43.02 40.24 3d2u s PHE 258 CO 0.08 0.13 0.70 0.45 -0.00 0.00 0.00 175.22 176.58 3d2u n SER 259 N 3.52 0.00 0.07 1.36 2.88 0.04 -1.96 113.62 119.53 3d2u n SER 259 Ca -0.01 0.22 -0.13 0.00 -1.33 0.00 0.00 58.87 57.62 3d2u n SER 259 Cb 0.51 -0.22 -0.09 0.00 -0.75 0.00 0.00 64.21 63.66 3d2u n SER 259 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 3d2u h ASN 260 N 0.00 -0.16 -4.30 -3.46 -0.73 -1.88 -3.48 115.58 101.56 3d2u h ASN 260 Ca 0.00 -0.26 -0.50 0.00 1.87 0.00 0.00 56.30 57.41 3d2u h ASN 260 Cb 0.05 0.04 0.11 0.00 0.27 0.00 0.00 38.32 38.79 3d2u h ASN 260 CO 0.00 0.19 0.34 -1.10 -0.37 0.00 0.00 177.43 176.49 3d2u s GLN 261 N -4.78 2.32 -0.29 6.67 -1.52 -0.83 -4.68 119.66 116.56 3d2u s GLN 261 Ca -0.15 0.75 -0.16 0.00 -1.95 0.00 0.00 55.36 53.85 3d2u s GLN 261 Cb 0.03 -1.94 -0.03 0.00 -0.22 0.00 0.00 33.01 30.85 3d2u s GLN 261 CO 0.61 -1.48 0.44 -0.80 -0.25 0.00 0.00 175.29 173.82 3d2u s ASN 262 N -3.85 6.32 0.05 5.90 0.01 -1.24 -4.42 114.94 117.71 3d2u s ASN 262 Ca 0.60 0.27 0.04 0.00 -0.71 0.00 0.00 52.86 53.07 3d2u s ASN 262 Cb -0.14 -2.24 -0.03 0.00 0.41 0.00 0.00 41.25 39.25 3d2u s ASN 262 CO 0.55 -0.28 -0.13 -0.31 -1.51 0.00 0.00 177.10 175.42 3d2u s TYR 263 N 2.20 1.09 0.10 2.20 1.51 -0.86 -0.38 117.35 123.22 3d2u s TYR 263 Ca 0.17 -0.42 0.02 0.00 -1.01 0.00 0.00 57.07 55.83 3d2u s TYR 263 Cb -0.16 -0.63 -0.04 0.00 -0.11 0.00 0.00 41.96 41.02 3d2u s TYR 263 CO 0.10 0.02 -0.07 0.95 -1.11 0.00 0.00 175.55 175.45 3d2u s THR 264 N -1.13 0.73 -0.16 -0.71 -4.23 -0.56 -0.69 115.64 108.89 3d2u s THR 264 Ca -0.02 -1.91 -0.02 0.00 -1.18 0.00 0.00 61.69 58.56 3d2u s THR 264 Cb -0.09 -1.66 -0.01 0.00 1.34 0.00 0.00 72.50 72.08 3d2u s THR 264 CO 0.02 -0.84 -0.09 0.00 -0.54 0.00 0.00 174.62 173.16 3d2u s ARG 266 N 0.75 3.81 -0.15 0.00 3.52 0.75 -1.86 118.95 125.76 3d2u s ARG 266 Ca -0.04 -0.42 0.00 0.00 -0.13 0.00 0.00 55.73 55.15 3d2u s ARG 266 Cb -0.15 -3.22 0.03 0.00 -1.56 0.00 0.00 34.95 30.04 3d2u s ARG 266 CO 0.02 0.09 -0.13 0.08 -0.81 0.00 0.00 175.30 174.55 3d2u s VAL 267 N 0.86 1.52 -0.21 7.11 1.01 0.28 -0.85 120.40 130.12 3d2u s VAL 267 Ca 0.03 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 3d2u s VAL 267 Cb -0.14 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 3d2u s VAL 267 CO 0.02 0.40 -0.04 -0.89 0.00 0.00 0.00 175.10 174.59 3d2u s THR 268 N 1.50 3.42 -0.20 3.92 2.01 0.02 -0.50 115.64 125.80 3d2u s THR 268 Ca 0.04 -0.48 -0.02 0.00 0.31 0.00 0.00 61.69 61.54 3d2u s THR 268 Cb -0.13 -2.55 0.06 0.00 0.01 0.00 0.00 72.50 69.88 3d2u s THR 268 CO -0.10 0.43 0.00 -2.28 -0.69 0.00 0.00 174.62 171.98 3d2u s HIS 269 N 1.39 1.45 0.00 4.92 2.46 0.15 -1.39 115.29 124.26 3d2u s HIS 269 Ca 0.05 -1.10 0.00 0.00 0.47 0.00 0.00 55.06 54.47 3d2u s HIS 269 Cb -0.14 -1.20 0.00 0.00 -0.13 0.00 0.00 32.58 31.11 3d2u s HIS 269 CO -0.02 -0.65 0.00 0.41 -2.47 0.00 0.00 174.74 172.01 3d2u n GLY 270 N 4.93 2.18 2.58 1.59 0.00 -1.26 -2.71 105.19 112.51 3d2u n GLY 270 Ca -0.10 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 3d2u n GLY 270 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d2u n ASN 271 N 2.42 7.62 -3.66 1.61 3.02 -1.26 -4.87 115.26 120.15 3d2u n ASN 271 Ca 0.00 -3.46 -0.09 0.00 -0.03 0.00 0.00 54.58 51.00 3d2u n ASN 271 Cb 0.00 -1.24 -0.08 0.00 -0.61 0.00 0.00 39.78 37.84 3d2u n ASN 271 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3d2u s TRP 272 N -2.96 -0.88 -0.06 3.10 -0.00 -1.10 -5.14 118.94 111.89 3d2u s TRP 272 Ca 0.46 1.82 0.01 0.00 -0.00 0.00 0.00 56.10 58.39 3d2u s TRP 272 Cb 0.21 0.48 0.02 0.00 -0.00 0.00 0.00 33.47 34.18 3d2u s TRP 272 CO -0.13 -0.45 -0.07 0.99 -0.00 0.00 0.00 176.95 177.28 3d2u s THR 273 N 1.45 0.79 0.09 5.86 2.01 -1.26 -0.68 115.64 123.91 3d2u s THR 273 Ca -0.09 -0.24 0.07 0.00 0.31 0.00 0.00 61.69 61.74 3d2u s THR 273 Cb -0.06 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 3d2u s THR 273 CO -0.16 0.29 -0.13 0.54 -0.69 0.00 0.00 174.62 174.47 3d2u s VAL 274 N 1.05 3.17 -0.04 3.82 0.11 0.34 -4.95 120.40 123.90 3d2u s VAL 274 Ca -0.08 -1.27 -0.00 0.00 -2.93 0.00 0.00 61.98 57.69 3d2u s VAL 274 Cb -0.14 -2.44 0.03 0.00 -1.53 0.00 0.00 36.38 32.29 3d2u s VAL 274 CO -0.00 0.17 0.00 -0.70 -3.33 0.00 0.00 175.10 171.24 3d2u s GLU 275 N -2.00 0.37 0.03 1.54 2.12 -1.26 -0.56 118.70 118.95 3d2u s GLU 275 Ca 0.19 0.10 0.05 0.00 0.36 0.00 0.00 54.97 55.67 3d2u s GLU 275 Cb -0.11 -0.63 -0.02 0.00 0.26 0.00 0.00 34.13 33.63 3d2u s GLU 275 CO 0.11 -0.19 -0.15 0.96 -0.54 0.00 0.00 175.26 175.45 3d2u s ILE 276 N 1.37 1.16 0.28 -3.70 -0.00 -0.78 -4.96 121.20 114.58 3d2u s ILE 276 Ca -0.05 -0.97 -0.29 0.00 -0.00 0.00 0.00 60.65 59.34 3d2u s ILE 276 Cb -0.13 -1.04 -0.10 0.00 -0.00 0.00 0.00 42.46 41.19 3d2u s ILE 276 CO -0.02 0.06 1.26 -2.16 -0.00 0.00 0.00 174.94 174.08 3d2u s PRO 277 N -1.05 4.43 -0.04 0.37 0.04 -1.26 -0.23 135.00 137.26 3d2u s PRO 277 Ca 0.03 2.08 0.02 0.00 0.04 0.00 0.00 61.00 63.17 3d2u s PRO 277 Cb -0.08 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 3d2u s PRO 277 CO 0.01 -0.12 -0.00 -0.89 0.04 0.00 0.00 177.00 176.04 3d2u n ILE 278 N 1.45 0.25 -3.72 0.56 5.41 0.13 -4.79 119.36 118.65 3d2u n ILE 278 Ca 0.02 -0.14 -0.12 0.00 1.00 0.00 0.00 62.75 63.51 3d2u n ILE 278 Cb 0.43 -0.84 -0.12 0.00 -0.71 0.00 0.00 39.64 38.40 3d2u n ILE 278 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3d2u s SER 279 N -3.69 -0.40 -0.10 4.38 1.04 -0.98 -3.63 113.70 110.31 3d2u s SER 279 Ca -0.03 0.73 0.04 0.00 0.48 0.00 0.00 55.95 57.17 3d2u s SER 279 Cb 0.01 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.77 3d2u s SER 279 CO 0.13 -0.17 -0.22 0.68 0.98 0.00 0.00 173.24 174.64 3d2u s VAL 280 N 1.12 1.94 0.00 5.02 -7.23 -1.26 -2.03 120.40 117.96 3d2u s VAL 280 Ca -0.08 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 3d2u s VAL 280 Cb -0.08 -1.69 0.00 0.00 0.56 0.00 0.00 36.38 35.17 3d2u s VAL 280 CO -0.09 0.53 0.00 0.41 -0.31 0.00 0.00 175.10 175.64