#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d2u s LEU 3 N 0.00 3.73 0.01 1.34 1.98 0.25 -1.03 118.68 124.96 3d2u s LEU 3 Ca 0.00 -0.98 0.06 0.00 -2.89 0.00 0.00 54.13 50.32 3d2u s LEU 3 Cb 0.00 -1.77 -0.02 0.00 0.66 0.00 0.00 46.19 45.07 3d2u s LEU 3 CO 0.00 -0.21 -0.18 -0.60 -1.89 0.00 0.00 176.35 173.47 3d2u s ARG 4 N 1.36 1.35 -0.07 1.98 3.52 0.19 -1.04 118.95 126.24 3d2u s ARG 4 Ca -0.01 -0.71 0.06 0.00 -0.13 0.00 0.00 55.73 54.94 3d2u s ARG 4 Cb -0.18 -1.34 -0.01 0.00 -1.56 0.00 0.00 34.95 31.86 3d2u s ARG 4 CO -0.01 0.36 -0.24 0.71 -0.81 0.00 0.00 175.30 175.31 3d2u s TYR 5 N -0.55 2.47 -0.13 5.12 2.02 -0.87 -0.18 117.35 125.23 3d2u s TYR 5 Ca 0.06 -0.76 0.01 0.00 -0.37 0.00 0.00 57.07 56.02 3d2u s TYR 5 Cb -0.07 -1.62 -0.01 0.00 -0.40 0.00 0.00 41.96 39.86 3d2u s TYR 5 CO 0.00 -0.24 -0.17 0.20 -1.57 0.00 0.00 175.55 173.77 3d2u s GLY 6 N -0.09 1.45 -0.13 0.71 0.00 0.37 -2.87 107.32 106.76 3d2u s GLY 6 Ca -0.06 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.72 3d2u s GLY 6 CO 0.04 -0.18 -0.15 -0.19 0.00 0.00 0.00 173.10 172.62 3d2u s TYR 7 N 0.46 2.76 -0.26 1.90 1.51 0.01 0.15 117.35 123.88 3d2u s TYR 7 Ca -0.12 -0.76 0.02 0.00 -1.01 0.00 0.00 57.07 55.19 3d2u s TYR 7 Cb -0.16 -1.82 0.07 0.00 -0.11 0.00 0.00 41.96 39.93 3d2u s TYR 7 CO 0.05 -0.28 -0.03 0.99 -1.11 0.00 0.00 175.55 175.17 3d2u s THR 8 N 0.39 1.71 -0.37 -0.71 2.01 0.35 -1.92 115.64 117.10 3d2u s THR 8 Ca -0.12 -1.51 -0.10 0.00 0.31 0.00 0.00 61.69 60.28 3d2u s THR 8 Cb -0.16 -2.02 0.04 0.00 0.01 0.00 0.00 72.50 70.36 3d2u s THR 8 CO 0.06 -0.23 0.19 -0.83 -0.69 0.00 0.00 174.62 173.12 3d2u s GLY 9 N 1.28 1.92 -0.14 4.40 0.00 -0.64 -2.00 107.32 112.14 3d2u s GLY 9 Ca -0.02 -1.80 -0.10 0.00 0.00 0.00 0.00 44.72 42.80 3d2u s GLY 9 CO -0.08 0.85 0.20 -0.42 0.00 0.00 0.00 173.10 173.65 3d2u s ILE 10 N 1.50 5.38 -0.23 0.90 -1.09 0.08 -1.37 121.20 126.37 3d2u s ILE 10 Ca 0.01 0.35 -0.05 0.00 -2.23 0.00 0.00 60.65 58.73 3d2u s ILE 10 Cb -0.20 -3.51 -0.02 0.00 -1.58 0.00 0.00 42.46 37.16 3d2u s ILE 10 CO 0.05 0.52 0.00 0.12 -1.23 0.00 0.00 174.94 174.40 3d2u s PHE 11 N -0.32 3.01 -0.10 3.97 5.36 -0.70 -1.28 117.98 127.92 3d2u s PHE 11 Ca 0.14 -0.70 -0.04 0.00 -0.96 0.00 0.00 56.93 55.37 3d2u s PHE 11 Cb -0.12 -2.15 -0.04 0.00 -0.34 0.00 0.00 43.02 40.37 3d2u s PHE 11 CO 0.03 -0.44 -0.12 -0.25 -1.46 0.00 0.00 175.22 172.98 3d2u n ASP 12 N 4.76 1.03 -4.23 6.13 8.00 -0.11 -4.62 116.55 127.52 3d2u n ASP 12 Ca -0.17 0.09 -0.13 0.00 0.71 0.00 0.00 54.79 55.29 3d2u n ASP 12 Cb 0.51 -0.26 -0.10 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 -5.73 0.71 0.60 -2.24 1.01 -0.57 -4.94 116.67 105.51 3d2u s ASP 13 Ca -0.13 -1.30 0.37 0.00 0.71 0.00 0.00 52.55 52.20 3d2u s ASP 13 Cb 0.05 0.24 1.85 0.00 1.01 0.00 0.00 42.92 46.07 3d2u s ASP 13 CO 0.17 -0.72 2.17 0.71 0.21 0.00 0.00 175.17 177.71 3d2u h THR 14 N 2.63 0.11 -0.01 -1.27 1.35 -2.03 -2.14 112.91 111.55 3d2u h THR 14 Ca -0.37 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3d2u h THR 14 Cb 1.23 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 3d2u h THR 14 CO 0.59 0.02 -0.46 -1.54 -0.25 0.00 0.00 175.52 173.88 3d2u n SER 15 N -3.19 1.08 -4.01 5.36 3.41 -1.26 -4.90 113.62 110.11 3d2u n SER 15 Ca -0.01 -1.04 -0.31 0.00 -0.26 0.00 0.00 58.87 57.24 3d2u n SER 15 Cb 0.19 0.72 -0.15 0.00 -0.26 0.00 0.00 64.21 64.71 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 -1.98 2.88 0.02 7.33 3.76 -0.80 -4.09 115.29 122.41 3d2u s HIS 16 Ca 0.09 -2.09 -0.02 0.00 -0.15 0.00 0.00 55.06 52.88 3d2u s HIS 16 Cb 0.11 -1.80 -0.02 0.00 1.11 0.00 0.00 32.58 31.98 3d2u s HIS 16 CO 0.45 -0.84 0.02 -1.64 -0.85 0.00 0.00 174.74 171.88 3d2u s MET 17 N 1.23 0.42 0.05 1.40 -1.94 -1.26 -0.93 119.30 118.27 3d2u s MET 17 Ca -0.07 -0.65 0.03 0.00 -1.71 0.00 0.00 55.69 53.29 3d2u s MET 17 Cb -0.19 0.16 -0.03 0.00 2.01 0.00 0.00 34.83 36.77 3d2u s MET 17 CO -0.06 -0.08 -0.09 0.95 -0.01 0.00 0.00 175.02 175.73 3d2u s THR 18 N -1.86 0.66 -0.02 2.05 -4.23 -0.40 -1.59 115.64 110.24 3d2u s THR 18 Ca -0.12 -1.20 0.01 0.00 -1.18 0.00 0.00 61.69 59.19 3d2u s THR 18 Cb -0.06 -0.79 0.02 0.00 1.34 0.00 0.00 72.50 73.00 3d2u s THR 18 CO -0.02 -0.40 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.43 3d2u s LEU 19 N -1.75 1.42 -0.08 4.79 2.96 -0.29 -0.74 118.68 124.99 3d2u s LEU 19 Ca -0.06 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 3d2u s LEU 19 Cb -0.09 -0.22 0.03 0.00 0.50 0.00 0.00 46.19 46.41 3d2u s LEU 19 CO 0.00 -0.06 -0.00 -0.89 -1.32 0.00 0.00 176.35 174.08 3d2u s THR 20 N 0.70 0.43 -0.05 3.68 2.01 -0.85 -1.72 115.64 119.84 3d2u s THR 20 Ca -0.07 0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.03 3d2u s THR 20 Cb -0.10 -0.61 -0.01 0.00 0.01 0.00 0.00 72.50 71.79 3d2u s THR 20 CO -0.01 0.23 -0.25 0.54 -0.69 0.00 0.00 174.62 174.44 3d2u s VAL 21 N 1.95 2.03 -0.02 3.82 0.11 -0.40 -0.50 120.40 127.39 3d2u s VAL 21 Ca 0.05 -1.06 0.07 0.00 -2.93 0.00 0.00 61.98 58.11 3d2u s VAL 21 Cb -0.13 -1.71 -0.02 0.00 -1.53 0.00 0.00 36.38 32.99 3d2u s VAL 21 CO -0.06 0.56 -0.23 0.68 -3.33 0.00 0.00 175.10 172.72 3d2u s VAL 22 N -0.19 1.84 -0.16 2.04 -7.23 0.12 -1.39 120.40 115.43 3d2u s VAL 22 Ca -0.03 -1.00 -0.08 0.00 -1.81 0.00 0.00 61.98 59.06 3d2u s VAL 22 Cb -0.13 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 3d2u s VAL 22 CO 0.03 0.52 0.12 -0.83 -0.31 0.00 0.00 175.10 174.63 3d2u s GLY 23 N -0.56 2.07 -0.06 2.32 0.00 0.19 -0.48 107.32 110.79 3d2u s GLY 23 Ca 0.09 -0.68 -0.00 0.00 0.00 0.00 0.00 44.72 44.13 3d2u s GLY 23 CO -0.01 -0.09 -0.02 -0.42 0.00 0.00 0.00 173.10 172.56 3d2u s ILE 24 N -0.22 0.45 -0.16 0.90 1.01 0.74 -1.37 121.20 122.55 3d2u s ILE 24 Ca 0.10 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.78 3d2u s ILE 24 Cb -0.12 -0.55 0.02 0.00 0.01 0.00 0.00 42.46 41.82 3d2u s ILE 24 CO 0.01 0.24 -0.19 0.12 0.00 0.00 0.00 174.94 175.12 3d2u s PHE 25 N 1.53 2.58 -1.46 3.97 5.36 0.19 -0.64 117.98 129.51 3d2u s PHE 25 Ca -0.02 -1.45 -0.11 0.00 -0.96 0.00 0.00 56.93 54.39 3d2u s PHE 25 Cb -0.13 -1.80 0.07 0.00 -0.34 0.00 0.00 43.02 40.82 3d2u s PHE 25 CO -0.03 -0.71 0.76 -0.25 -1.46 0.00 0.00 175.22 173.52 3d2u n ASP 26 N 4.49 -4.61 0.00 6.13 8.00 -0.20 -0.56 116.55 129.79 3d2u n ASP 26 Ca -0.20 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 54.72 3d2u n ASP 26 Cb 0.50 -3.73 0.00 0.00 -0.02 0.00 0.00 41.12 37.88 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 -1.48 1.41 3.66 0.44 0.00 -1.26 -4.86 105.19 103.09 3d2u n GLY 27 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.29 4.06 -0.58 1.61 -0.21 0.28 -5.04 119.66 119.49 3d2u s GLN 28 Ca 0.00 -0.28 -0.27 0.00 0.02 0.00 0.00 55.36 54.82 3d2u s GLN 28 Cb 0.00 -3.41 0.03 0.00 1.00 0.00 0.00 33.01 30.63 3d2u s GLN 28 CO 0.00 0.17 1.14 -1.58 -2.12 0.00 0.00 175.29 172.91 3d2u s HIS 29 N 0.70 2.63 -0.03 0.91 5.65 -1.26 0.55 115.29 124.44 3d2u s HIS 29 Ca 0.06 0.31 0.15 0.00 0.25 0.00 0.00 55.06 55.84 3d2u s HIS 29 Cb -0.13 -4.43 -0.23 0.00 -1.18 0.00 0.00 32.58 26.61 3d2u s HIS 29 CO 0.01 -1.56 0.32 1.97 -0.65 0.00 0.00 174.74 174.84 3d2u n PHE 30 N 8.27 0.00 -4.18 3.88 -1.74 -0.47 -4.23 117.46 119.00 3d2u n PHE 30 Ca 0.07 0.00 -0.16 0.00 -0.56 0.00 0.00 57.45 56.80 3d2u n PHE 30 Cb 0.49 -0.38 -0.14 0.00 1.52 0.00 0.00 39.48 40.97 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 -3.02 0.62 -0.01 2.97 5.36 -1.11 -0.48 117.98 122.32 3d2u s PHE 31 Ca -0.06 -0.22 0.00 0.00 -0.96 0.00 0.00 56.93 55.70 3d2u s PHE 31 Cb 0.09 -0.39 0.01 0.00 -0.34 0.00 0.00 43.02 42.39 3d2u s PHE 31 CO 0.64 -0.02 -0.00 0.99 -1.46 0.00 0.00 175.22 175.36 3d2u s THR 32 N -0.50 0.05 -0.09 0.12 2.01 -0.76 0.52 115.64 116.99 3d2u s THR 32 Ca -0.01 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.02 3d2u s THR 32 Cb -0.05 -0.08 0.01 0.00 0.01 0.00 0.00 72.50 72.40 3d2u s THR 32 CO 0.00 0.04 -0.14 -0.47 -0.69 0.00 0.00 174.62 173.36 3d2u s TYR 33 N 0.22 1.74 0.00 4.92 5.04 -0.49 -0.93 117.35 127.86 3d2u s TYR 33 Ca -0.02 -0.76 0.03 0.00 -2.44 0.00 0.00 57.07 53.88 3d2u s TYR 33 Cb -0.03 -1.28 -0.01 0.00 0.35 0.00 0.00 41.96 40.99 3d2u s TYR 33 CO -0.01 -0.40 -0.09 -1.58 -1.34 0.00 0.00 175.55 172.13 3d2u s HIS 34 N 0.92 0.80 -0.27 4.97 5.65 -0.51 -1.27 115.29 125.58 3d2u s HIS 34 Ca -0.09 -0.20 -0.25 0.00 0.25 0.00 0.00 55.06 54.77 3d2u s HIS 34 Cb -0.15 -0.51 0.10 0.00 -1.18 0.00 0.00 32.58 30.84 3d2u s HIS 34 CO 0.00 -0.01 0.90 0.54 -0.65 0.00 0.00 174.74 175.52 3d2u s VAL 35 N -0.39 0.00 0.09 0.89 0.11 -0.70 -1.16 120.40 119.25 3d2u s VAL 35 Ca 0.02 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.15 3d2u s VAL 35 Cb -0.04 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 3d2u s VAL 35 CO -0.00 0.00 -0.19 -1.10 -3.33 0.00 0.00 175.10 170.48 3d2u s GLN 36 N 0.26 1.85 0.40 1.54 -0.21 -1.26 -1.13 119.66 121.11 3d2u s GLN 36 Ca 0.02 -1.13 0.18 0.00 0.02 0.00 0.00 55.36 54.46 3d2u s GLN 36 Cb -0.05 -2.12 0.86 0.00 1.00 0.00 0.00 33.01 32.70 3d2u s GLN 36 CO -0.03 0.50 1.84 0.66 -2.12 0.00 0.00 175.29 176.13 3d2u h SER 37 N 4.02 0.00 0.40 5.90 4.64 -1.58 -2.67 113.55 124.25 3d2u h SER 37 Ca -0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 3d2u h SER 37 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3d2u h SER 37 CO 0.46 0.32 -0.05 -1.28 -0.87 0.00 0.00 176.83 175.41 3d2u h SER 38 N 0.00 0.00 0.00 4.97 0.87 -1.82 -3.41 113.55 114.17 3d2u h SER 38 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3d2u h SER 38 Cb 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 3d2u h SER 38 CO 0.04 0.05 0.00 -0.67 -0.53 0.00 0.00 176.83 175.73 3d2u n ASP 39 N -3.37 0.00 0.00 6.23 -0.08 -1.10 -5.05 116.55 113.18 3d2u n ASP 39 Ca -0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 3d2u n ASP 39 Cb 0.20 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.66 3d2u n ASP 39 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3d2u n LYS 40 N 0.00 0.00 -0.07 -0.67 5.02 -1.03 -4.81 118.16 116.60 3d2u n LYS 40 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 3d2u n LYS 40 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 34.85 3d2u n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3d2u n ALA 41 N -1.12 1.96 1.03 7.82 0.00 -1.26 -4.07 120.51 124.86 3d2u n ALA 41 Ca 0.00 -1.02 0.01 0.00 0.00 0.00 0.00 53.44 52.43 3d2u n ALA 41 Cb 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 19.45 19.13 3d2u n ALA 41 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3d2u n SER 42 N -2.56 1.26 -4.76 0.00 7.64 -1.26 -4.87 113.62 109.07 3d2u n SER 42 Ca -0.22 -2.08 -0.37 0.00 1.01 0.00 0.00 58.87 57.21 3d2u n SER 42 Cb 0.94 -0.40 0.01 0.00 -1.01 0.00 0.00 64.21 63.74 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 -0.32 5.82 0.01 6.43 1.04 -1.26 -4.85 113.70 120.57 3d2u s SER 43 Ca 0.06 2.45 -0.01 0.00 0.48 0.00 0.00 55.95 58.93 3d2u s SER 43 Cb 0.04 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 3d2u s SER 43 CO 0.02 -1.17 0.00 0.00 0.98 0.00 0.00 173.24 173.08 3d2u s ARG 44 N -2.82 0.20 -0.24 4.02 1.70 -0.31 -5.00 118.95 116.51 3d2u s ARG 44 Ca 0.67 -0.32 0.01 0.00 -0.47 0.00 0.00 55.73 55.62 3d2u s ARG 44 Cb -0.32 0.07 0.06 0.00 -0.57 0.00 0.00 34.95 34.19 3d2u s ARG 44 CO 0.38 -0.03 -0.04 0.00 -1.08 0.00 0.00 175.30 174.53 3d2u s ALA 45 N -0.81 1.92 0.31 7.88 0.00 -1.26 -1.42 121.76 128.38 3d2u s ALA 45 Ca -0.09 -1.37 0.11 0.00 0.00 0.00 0.00 51.96 50.61 3d2u s ALA 45 Cb -0.05 -1.44 -0.06 0.00 0.00 0.00 0.00 23.12 21.57 3d2u s ALA 45 CO -0.00 -1.23 -0.15 -0.80 0.00 0.00 0.00 175.76 173.58 3d2u s ASN 46 N 1.41 3.69 -0.03 0.00 -0.87 -0.10 -4.90 114.94 114.14 3d2u s ASN 46 Ca -0.04 -1.09 -0.12 0.00 -1.57 0.00 0.00 52.86 50.04 3d2u s ASN 46 Cb -0.19 -0.34 -0.05 0.00 -0.02 0.00 0.00 41.25 40.65 3d2u s ASN 46 CO -0.07 -0.07 0.32 -0.83 -2.57 0.00 0.00 177.10 173.89 3d2u s GLY 47 N -3.56 2.36 -0.05 0.66 0.00 -1.26 -1.83 107.32 103.64 3d2u s GLY 47 Ca 0.31 -0.38 0.07 0.00 0.00 0.00 0.00 44.72 44.73 3d2u s GLY 47 CO 0.16 -0.07 1.05 -1.30 0.00 0.00 0.00 173.10 172.94 3d2u n THR 48 N 1.74 1.31 -3.77 0.90 -2.24 0.37 -4.94 114.28 107.65 3d2u n THR 48 Ca -0.15 -1.45 -0.13 0.00 -2.27 0.00 0.00 64.05 60.06 3d2u n THR 48 Cb 0.53 0.23 -0.12 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.68 -0.02 0.23 2.28 1.10 -1.26 -4.83 121.20 117.03 3d2u s ILE 49 Ca 0.12 0.06 0.07 0.00 -0.51 0.00 0.00 60.65 60.39 3d2u s ILE 49 Cb 0.10 -0.35 0.27 0.00 0.15 0.00 0.00 42.46 42.64 3d2u s ILE 49 CO 0.01 0.02 1.10 -1.54 -2.11 0.00 0.00 174.94 172.42 3d2u n SER 50 N 3.45 0.06 0.00 4.50 3.41 -1.26 0.27 113.62 124.04 3d2u n SER 50 Ca -0.18 1.17 0.08 0.00 -0.26 0.00 0.00 58.87 59.69 3d2u n SER 50 Cb 0.56 -0.49 0.42 0.00 -0.26 0.00 0.00 64.21 64.45 3d2u n SER 50 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 3d2u n TRP 51 N -4.78 0.00 0.23 7.33 4.27 -1.26 -2.20 117.44 121.03 3d2u n TRP 51 Ca 0.21 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.94 3d2u n TRP 51 Cb 0.69 -0.22 0.13 0.00 -1.36 0.00 0.00 31.31 30.55 3d2u n TRP 51 CO 0.00 0.00 0.00 0.52 -2.29 0.00 0.00 177.69 175.92 3d2u h MET 52 N 0.00 0.00 -0.49 -2.67 2.86 -0.55 -2.68 114.93 111.40 3d2u h MET 52 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3d2u h MET 52 Cb 0.12 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3d2u h MET 52 CO 0.00 0.00 0.29 0.00 1.06 0.00 0.00 176.91 178.26 3d2u h ALA 53 N 2.07 1.60 -0.11 6.32 0.00 -1.59 0.11 119.26 127.66 3d2u h ALA 53 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3d2u h ALA 53 Cb 0.97 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3d2u h ALA 53 CO 0.00 0.35 -0.11 -0.91 0.00 0.00 0.00 179.25 178.58 3d2u h ASN 54 N 0.67 0.28 -0.70 0.00 4.21 -1.66 -2.81 115.58 115.58 3d2u h ASN 54 Ca 0.18 -0.48 0.05 0.00 1.21 0.00 0.00 56.30 57.25 3d2u h ASN 54 Cb -0.02 -0.08 -0.04 0.00 -1.12 0.00 0.00 38.32 37.06 3d2u h ASN 54 CO -0.03 0.71 0.46 0.58 -1.29 0.00 0.00 177.43 177.85 3d2u h VAL 55 N -0.14 1.05 0.07 2.81 2.07 -1.03 -2.12 116.25 118.96 3d2u h VAL 55 Ca 0.02 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3d2u h VAL 55 Cb 0.63 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3d2u h VAL 55 CO 0.03 0.14 -0.03 0.28 0.02 0.00 0.00 177.57 178.00 3d2u h SER 56 N 0.77 -0.08 -0.88 0.57 0.02 -0.72 0.13 113.55 113.36 3d2u h SER 56 Ca 0.29 -0.27 0.09 0.00 -0.84 0.00 0.00 61.79 61.07 3d2u h SER 56 Cb 0.18 0.02 -0.07 0.00 0.14 0.00 0.00 62.40 62.67 3d2u h SER 56 CO -0.09 0.23 0.53 0.00 -1.14 0.00 0.00 176.83 176.36 3d2u h ALA 57 N 0.51 1.26 -0.03 3.77 0.00 -1.24 -1.39 119.26 122.14 3d2u h ALA 57 Ca -0.01 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 3d2u h ALA 57 Cb 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3d2u h ALA 57 CO 0.02 0.18 -0.66 0.00 0.00 0.00 0.00 179.25 178.79 3d2u h ALA 58 N 1.47 0.85 -2.75 0.00 0.00 -1.25 -3.36 119.26 114.21 3d2u h ALA 58 Ca 0.42 -0.58 -0.60 0.00 0.00 0.00 0.00 54.91 54.14 3d2u h ALA 58 Cb 0.35 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 17.65 3d2u h ALA 58 CO -0.23 0.78 -0.80 0.71 0.00 0.00 0.00 179.25 179.71 3d2u s TYR 59 N -3.60 1.67 -0.14 0.00 1.51 0.44 -5.01 117.35 112.22 3d2u s TYR 59 Ca -0.03 -2.34 0.24 0.00 -1.01 0.00 0.00 57.07 53.93 3d2u s TYR 59 Cb 0.12 -1.53 1.27 0.00 -0.11 0.00 0.00 41.96 41.72 3d2u s TYR 59 CO 0.79 -0.77 1.73 -1.35 -1.11 0.00 0.00 175.55 174.83 3d2u h PRO 60 N 6.35 0.00 0.00 -1.71 0.11 -1.43 -2.65 132.00 132.67 3d2u h PRO 60 Ca 0.10 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 3d2u h PRO 60 Cb 0.91 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 3d2u h PRO 60 CO 0.43 0.00 -0.49 0.25 -0.21 0.00 0.00 178.00 177.99 3d2u n THR 61 N -2.33 2.05 0.17 -1.15 -2.24 -1.26 -4.75 114.28 104.77 3d2u n THR 61 Ca -0.01 -3.02 -0.12 0.00 -2.27 0.00 0.00 64.05 58.63 3d2u n THR 61 Cb 0.05 -0.17 -0.07 0.00 -2.10 0.00 0.00 70.33 68.04 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 0.91 -0.45 -0.77 4.78 3.20 -1.81 -2.25 116.97 120.58 3d2u h TYR 62 Ca -0.01 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3d2u h TYR 62 Cb 1.05 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.43 3d2u h TYR 62 CO 0.66 -0.12 0.50 -0.07 -1.64 0.00 0.00 178.16 177.48 3d2u h LEU 63 N -0.94 0.89 -0.83 2.82 3.38 -1.85 0.29 115.31 119.06 3d2u h LEU 63 Ca -0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3d2u h LEU 63 Cb 0.53 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3d2u h LEU 63 CO 0.08 0.66 0.48 0.44 0.09 0.00 0.00 178.44 180.18 3d2u h ASP 64 N 1.04 1.03 -0.02 -0.43 3.45 -1.88 -0.58 116.42 119.04 3d2u h ASP 64 Ca 0.28 -0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.65 3d2u h ASP 64 Cb -0.10 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 38.41 3d2u h ASP 64 CO -0.06 0.81 -0.00 1.23 -1.57 0.00 0.00 179.24 179.65 3d2u h GLY 65 N 1.16 0.03 0.90 2.75 0.00 -0.75 -2.42 103.07 104.74 3d2u h GLY 65 Ca 0.30 -0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.64 3d2u h GLY 65 CO -0.05 0.02 0.62 0.83 0.00 0.00 0.00 176.54 177.96 3d2u h GLU 66 N -0.32 1.12 -0.54 4.80 4.39 -0.26 -2.25 114.58 121.52 3d2u h GLU 66 Ca 0.00 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 3d2u h GLU 66 Cb 0.37 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 3d2u h GLU 66 CO 0.00 0.74 0.24 -0.09 -1.16 0.00 0.00 179.01 178.74 3d2u h ARG 67 N 1.15 0.78 -0.16 2.33 2.43 -1.05 -1.76 114.38 118.11 3d2u h ARG 67 Ca 0.39 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.45 3d2u h ARG 67 Cb 0.07 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3d2u h ARG 67 CO -0.13 0.66 0.02 0.00 -1.51 0.00 0.00 179.97 179.02 3d2u h ALA 68 N 1.08 0.16 -0.14 2.80 0.00 -0.90 0.12 119.26 122.38 3d2u h ALA 68 Ca 0.18 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3d2u h ALA 68 Cb 0.15 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3d2u h ALA 68 CO -0.02 -0.42 0.03 0.87 0.00 0.00 0.00 179.25 179.71 3d2u h LYS 69 N 0.09 0.19 -0.17 0.00 1.57 -1.31 -2.32 116.57 114.61 3d2u h LYS 69 Ca 0.07 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.67 3d2u h LYS 69 Cb 0.07 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.35 3d2u h LYS 69 CO -0.10 0.19 -0.54 0.78 -0.57 0.00 0.00 179.45 179.20 3d2u h GLY 70 N 0.35 0.73 0.93 3.86 0.00 -0.33 -0.71 103.07 107.90 3d2u h GLY 70 Ca 0.05 -0.96 0.04 0.00 0.00 0.00 0.00 47.33 46.46 3d2u h GLY 70 CO -0.00 0.85 0.61 -0.55 0.00 0.00 0.00 176.54 177.45 3d2u h ASP 71 N 0.35 1.00 -0.25 0.19 5.19 -0.58 0.28 116.42 122.60 3d2u h ASP 71 Ca -0.02 -0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 56.20 3d2u h ASP 71 Cb 1.17 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.45 3d2u h ASP 71 CO 0.12 0.68 -0.55 -0.07 -3.12 0.00 0.00 179.24 176.30 3d2u h LEU 72 N 1.16 0.91 -0.85 1.55 3.38 -1.34 -2.57 115.31 117.54 3d2u h LEU 72 Ca 0.38 -0.55 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3d2u h LEU 72 Cb 0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3d2u h LEU 72 CO -0.12 1.30 0.31 0.40 0.09 0.00 0.00 178.44 180.42 3d2u h ILE 73 N 0.57 1.26 -0.55 1.22 2.04 -0.39 -2.63 117.51 119.02 3d2u h ILE 73 Ca 0.00 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 3d2u h ILE 73 Cb 1.16 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3d2u h ILE 73 CO 0.12 0.33 0.20 0.15 0.00 0.00 0.00 178.15 178.95 3d2u h PHE 74 N 1.12 0.82 -0.28 1.37 3.57 -0.34 0.15 116.94 123.35 3d2u h PHE 74 Ca 0.26 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.71 3d2u h PHE 74 Cb 0.21 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 3d2u h PHE 74 CO 0.02 0.65 0.18 -0.97 -2.23 0.00 0.00 178.31 175.95 3d2u h ASN 75 N 0.79 0.33 0.34 0.41 -0.73 -1.11 0.44 115.58 116.06 3d2u h ASN 75 Ca 0.19 -0.04 -0.10 0.00 1.87 0.00 0.00 56.30 58.22 3d2u h ASN 75 Cb 0.19 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.69 3d2u h ASN 75 CO -0.01 0.27 -0.44 -0.61 -0.37 0.00 0.00 177.43 176.27 3d2u h GLN 76 N 0.37 0.13 -0.28 6.67 5.75 -1.20 -3.11 115.11 123.44 3d2u h GLN 76 Ca 0.10 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.45 3d2u h GLN 76 Cb -0.01 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 3d2u h GLN 76 CO -0.02 0.55 -0.16 1.15 -2.65 0.00 0.00 178.83 177.70 3d2u h THR 77 N 0.11 1.30 -0.80 2.39 2.02 -0.02 -2.04 112.91 115.86 3d2u h THR 77 Ca 0.01 -1.27 0.09 0.00 0.77 0.00 0.00 66.41 66.01 3d2u h THR 77 Cb 0.82 1.53 -0.06 0.00 -1.74 0.00 0.00 68.15 68.70 3d2u h THR 77 CO 0.06 0.40 0.52 -0.33 0.37 0.00 0.00 175.52 176.55 3d2u h GLU 78 N 0.34 0.73 -0.12 6.66 5.08 -0.87 0.20 114.58 126.60 3d2u h GLU 78 Ca 0.06 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 3d2u h GLU 78 Cb 0.69 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3d2u h GLU 78 CO 0.05 0.49 -0.36 1.96 -1.00 0.00 0.00 179.01 180.14 3d2u h GLN 79 N 0.76 0.45 -0.63 2.33 1.08 -1.47 -2.54 115.11 115.09 3d2u h GLN 79 Ca 0.37 -0.33 -0.08 0.00 -1.45 0.00 0.00 58.65 57.15 3d2u h GLN 79 Cb 0.42 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 3d2u h GLN 79 CO -0.14 0.95 0.07 -0.91 -0.95 0.00 0.00 178.83 177.85 3d2u h ASN 80 N 0.04 1.02 -0.86 1.46 2.35 -0.72 -1.38 115.58 117.48 3d2u h ASN 80 Ca -0.01 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 3d2u h ASN 80 Cb 0.99 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 39.04 3d2u h ASN 80 CO 0.08 1.04 0.53 -0.07 -1.65 0.00 0.00 177.43 177.36 3d2u h LEU 81 N 0.99 1.03 -0.23 1.61 3.38 -0.61 0.06 115.31 121.53 3d2u h LEU 81 Ca 0.19 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 3d2u h LEU 81 Cb 0.48 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3d2u h LEU 81 CO 0.02 0.78 -0.57 0.25 0.09 0.00 0.00 178.44 179.01 3d2u h LEU 82 N 1.18 0.91 -0.04 1.67 5.85 -1.29 -1.98 115.31 121.61 3d2u h LEU 82 Ca 0.31 -0.56 0.02 0.00 0.84 0.00 0.00 57.88 58.49 3d2u h LEU 82 Cb -0.07 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.67 3d2u h LEU 82 CO -0.06 1.31 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.93 3d2u h GLU 83 N 0.55 -0.12 -0.55 1.25 5.08 -0.83 -2.43 114.58 117.54 3d2u h GLU 83 Ca -0.01 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3d2u h GLU 83 Cb 1.19 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 3d2u h GLU 83 CO 0.12 -0.08 0.06 -0.07 -1.00 0.00 0.00 179.01 178.04 3d2u h LEU 84 N -0.13 0.89 -1.29 1.33 3.38 -1.00 -1.68 115.31 116.82 3d2u h LEU 84 Ca 0.05 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.77 3d2u h LEU 84 Cb 0.19 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3d2u h LEU 84 CO -0.12 0.95 0.50 -0.08 0.09 0.00 0.00 178.44 179.77 3d2u h GLU 85 N 0.81 0.90 0.02 1.13 4.57 -1.24 0.49 114.58 121.26 3d2u h GLU 85 Ca 0.16 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 58.17 3d2u h GLU 85 Cb 0.45 -0.20 0.01 0.00 -0.16 0.00 0.00 28.75 28.85 3d2u h GLU 85 CO 0.02 0.60 -0.49 0.82 -1.18 0.00 0.00 179.01 178.78 3d2u h ILE 86 N 0.93 1.50 -0.06 2.32 5.03 -1.33 -2.71 117.51 123.18 3d2u h ILE 86 Ca 0.30 -2.11 -0.14 0.00 -0.12 0.00 0.00 64.86 62.79 3d2u h ILE 86 Cb 0.04 2.78 0.01 0.00 -3.03 0.00 0.00 36.82 36.61 3d2u h ILE 86 CO -0.08 0.60 -0.51 0.00 -0.68 0.00 0.00 178.15 177.47 3d2u h ALA 87 N 0.25 0.14 0.01 1.87 0.00 -1.07 -3.40 119.26 117.06 3d2u h ALA 87 Ca -0.07 -0.52 -0.37 0.00 0.00 0.00 0.00 54.91 53.95 3d2u h ALA 87 Cb 1.24 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 3d2u h ALA 87 CO 0.09 0.34 -2.35 1.28 0.00 0.00 0.00 179.25 178.61 3d2u n LEU 88 N -4.26 1.20 0.00 0.00 4.77 0.17 -5.02 117.00 113.86 3d2u n LEU 88 Ca -0.09 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3d2u n LEU 88 Cb 0.61 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3d2u n LEU 88 CO 0.46 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 3d2u n GLY 89 N 1.92 -1.27 3.36 -0.72 0.00 -1.02 -4.95 105.19 102.50 3d2u n GLY 89 Ca -0.36 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.35 -0.08 1.61 -0.85 -1.26 -4.80 117.35 111.62 3d2u s TYR 90 Ca 0.00 0.33 0.13 0.00 -0.52 0.00 0.00 57.07 57.02 3d2u s TYR 90 Cb 0.00 0.29 -0.20 0.00 0.38 0.00 0.00 41.96 42.43 3d2u s TYR 90 CO 0.00 -0.62 0.18 0.54 -1.52 0.00 0.00 175.55 174.13 3d2u n ARG 91 N 0.40 1.15 0.02 -3.49 5.12 -1.26 -4.85 116.66 113.76 3d2u n ARG 91 Ca -0.18 -0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.67 3d2u n ARG 91 Cb 0.60 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.55 3d2u n ARG 91 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3d2u n SER 92 N -2.27 0.51 -3.66 0.55 2.88 -1.26 -5.10 113.62 105.26 3d2u n SER 92 Ca -0.13 0.07 -0.12 0.00 -1.33 0.00 0.00 58.87 57.37 3d2u n SER 92 Cb 0.68 -0.15 -0.08 0.00 -0.75 0.00 0.00 64.21 63.91 3d2u n SER 92 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 3d2u s GLN 93 N -2.00 0.67 -1.24 -1.46 0.74 -1.26 -5.07 119.66 110.04 3d2u s GLN 93 Ca 0.00 0.94 -0.19 0.00 0.05 0.00 0.00 55.36 56.16 3d2u s GLN 93 Cb 0.00 0.25 0.07 0.00 1.10 0.00 0.00 33.01 34.43 3d2u s GLN 93 CO 0.00 -0.11 1.67 -1.54 -0.55 0.00 0.00 175.29 174.76 3d2u s SER 94 N 0.80 6.79 -0.02 6.67 1.04 -1.26 -3.81 113.70 123.90 3d2u s SER 94 Ca -0.04 -2.30 0.02 0.00 0.48 0.00 0.00 55.95 54.11 3d2u s SER 94 Cb -0.05 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.51 3d2u s SER 94 CO -0.06 -1.21 -0.06 0.54 0.98 0.00 0.00 173.24 173.43 3d2u s VAL 95 N 4.22 0.56 -0.23 5.02 0.11 -1.26 -1.73 120.40 127.09 3d2u s VAL 95 Ca 0.52 -0.24 -0.06 0.00 -2.93 0.00 0.00 61.98 59.26 3d2u s VAL 95 Cb 0.03 -0.51 -0.02 0.00 -1.53 0.00 0.00 36.38 34.34 3d2u s VAL 95 CO 0.04 0.19 0.03 -0.22 -3.33 0.00 0.00 175.10 171.81 3d2u s LEU 96 N 0.22 3.32 -0.16 2.54 2.96 -0.47 -0.97 118.68 126.12 3d2u s LEU 96 Ca -0.03 -0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 53.66 3d2u s LEU 96 Cb -0.07 -1.87 -0.00 0.00 0.50 0.00 0.00 46.19 44.74 3d2u s LEU 96 CO -0.00 0.00 -0.14 0.42 -1.32 0.00 0.00 176.35 175.32 3d2u s THR 97 N 1.38 2.80 0.06 3.68 -4.23 0.14 -1.62 115.64 117.84 3d2u s THR 97 Ca 0.05 -0.72 0.01 0.00 -1.18 0.00 0.00 61.69 59.84 3d2u s THR 97 Cb -0.15 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.47 3d2u s THR 97 CO 0.02 0.51 -0.06 -1.66 -0.54 0.00 0.00 174.62 172.89 3d2u s TRP 98 N 0.82 0.67 0.08 3.99 -2.14 -0.81 0.51 118.94 122.06 3d2u s TRP 98 Ca -0.05 -0.81 -0.13 0.00 2.66 0.00 0.00 56.10 57.78 3d2u s TRP 98 Cb -0.15 -0.42 0.02 0.00 -3.10 0.00 0.00 33.47 29.82 3d2u s TRP 98 CO 0.00 -0.19 0.30 -0.08 -2.66 0.00 0.00 176.95 174.32 3d2u s THR 99 N -2.89 0.09 -0.08 0.66 -1.32 -0.07 -0.81 115.64 111.22 3d2u s THR 99 Ca 0.02 -0.77 -0.07 0.00 -1.21 0.00 0.00 61.69 59.66 3d2u s THR 99 Cb 0.00 -1.10 0.02 0.00 -1.51 0.00 0.00 72.50 69.92 3d2u s THR 99 CO -0.04 -0.43 0.21 -1.38 -2.21 0.00 0.00 174.62 170.77 3d2u s HIS 100 N -3.21 -0.24 -0.02 9.09 -3.43 -1.14 -0.67 115.29 115.66 3d2u s HIS 100 Ca -0.00 0.59 0.03 0.00 -0.80 0.00 0.00 55.06 54.87 3d2u s HIS 100 Cb 0.01 0.07 -0.00 0.00 -1.43 0.00 0.00 32.58 31.23 3d2u s HIS 100 CO -0.08 -0.13 -0.10 -1.21 -2.00 0.00 0.00 174.74 171.22 3d2u s GLU 101 N 0.26 1.01 -0.22 -0.38 2.02 -0.28 -2.05 118.70 119.06 3d2u s GLU 101 Ca -0.01 -0.36 -0.03 0.00 0.02 0.00 0.00 54.97 54.59 3d2u s GLU 101 Cb -0.03 -0.95 0.00 0.00 0.10 0.00 0.00 34.13 33.26 3d2u s GLU 101 CO -0.01 0.16 -0.07 0.00 0.02 0.00 0.00 175.26 175.37 3d2u s ASN 103 N 1.43 4.71 0.29 0.00 -0.87 0.03 -0.58 114.94 119.94 3d2u s ASN 103 Ca 0.05 -0.50 0.09 0.00 -1.57 0.00 0.00 52.86 50.92 3d2u s ASN 103 Cb -0.14 -1.81 -0.06 0.00 -0.02 0.00 0.00 41.25 39.22 3d2u s ASN 103 CO -0.05 -0.09 -0.11 0.42 -2.57 0.00 0.00 177.10 174.71 3d2u s THR 104 N 1.49 1.98 0.92 1.60 -4.23 -1.26 -0.32 115.64 115.82 3d2u s THR 104 Ca 0.04 -2.21 -0.14 0.00 -1.18 0.00 0.00 61.69 58.20 3d2u s THR 104 Cb -0.16 -2.41 0.18 0.00 1.34 0.00 0.00 72.50 71.45 3d2u s THR 104 CO -0.00 -0.34 1.27 0.42 -0.54 0.00 0.00 174.62 175.42 3d2u s THR 105 N -2.80 2.02 0.20 3.99 -4.23 -0.45 -4.61 115.64 109.76 3d2u s THR 105 Ca 0.29 -0.08 -0.11 0.00 -1.18 0.00 0.00 61.69 60.62 3d2u s THR 105 Cb 0.01 -2.95 0.13 0.00 1.34 0.00 0.00 72.50 71.04 3d2u s THR 105 CO 0.13 0.00 1.73 -0.33 -0.54 0.00 0.00 174.62 175.61 3d2u h GLU 106 N -1.44 0.33 -0.98 3.99 3.07 -2.02 -1.18 114.58 116.35 3d2u h GLU 106 Ca -0.44 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.40 3d2u h GLU 106 Cb 1.25 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 29.08 3d2u h GLU 106 CO 0.41 0.22 0.00 0.27 -1.40 0.00 0.00 179.01 178.51 3d2u n ASN 107 N -5.04 1.28 -0.62 1.42 6.94 -1.26 -4.87 115.26 113.11 3d2u n ASN 107 Ca 0.08 -2.04 -0.07 0.00 -0.02 0.00 0.00 54.58 52.52 3d2u n ASN 107 Cb 0.27 -0.51 -0.02 0.00 -2.36 0.00 0.00 39.78 37.16 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 0.04 0.68 3.88 4.83 0.00 -0.45 -5.03 105.19 109.14 3d2u n GLY 108 Ca 0.01 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.85 6.47 -0.11 1.61 1.04 -1.26 -4.78 113.70 113.82 3d2u s SER 109 Ca 0.00 0.54 -0.33 0.00 0.48 0.00 0.00 55.95 56.64 3d2u s SER 109 Cb 0.00 -2.09 -0.10 0.00 0.10 0.00 0.00 66.02 63.93 3d2u s SER 109 CO 0.00 0.33 1.97 0.33 0.98 0.00 0.00 173.24 176.84 3d2u n PHE 110 N 1.53 2.26 -0.08 5.02 7.35 -1.26 -1.35 117.46 130.92 3d2u n PHE 110 Ca -0.15 -0.06 -0.13 0.00 -0.76 0.00 0.00 57.45 56.35 3d2u n PHE 110 Cb 0.54 -2.69 -0.04 0.00 0.35 0.00 0.00 39.48 37.64 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 5.71 1.43 -3.87 -2.13 0.31 0.56 -4.93 118.33 115.40 3d2u n VAL 111 Ca 0.25 0.04 -0.09 0.00 -0.01 0.00 0.00 64.34 64.52 3d2u n VAL 111 Cb 0.32 -2.13 -0.06 0.00 -0.91 0.00 0.00 33.84 31.06 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 -2.69 -0.32 0.13 3.52 0.00 -0.83 -5.02 121.76 116.54 3d2u s ALA 112 Ca -0.27 -0.63 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 3d2u s ALA 112 Cb 0.06 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 3d2u s ALA 112 CO 0.39 -0.66 0.10 0.20 0.00 0.00 0.00 175.76 175.78 3d2u s GLY 113 N -2.92 0.81 -0.06 0.00 0.00 -1.26 -0.79 107.32 103.10 3d2u s GLY 113 Ca 0.12 -1.30 -0.30 0.00 0.00 0.00 0.00 44.72 43.24 3d2u s GLY 113 CO -0.03 -1.24 0.80 -0.47 0.00 0.00 0.00 173.10 172.16 3d2u s TYR 114 N -4.01 -0.52 -0.11 1.90 5.04 -1.02 -4.41 117.35 114.22 3d2u s TYR 114 Ca 0.20 0.79 -0.06 0.00 -2.44 0.00 0.00 57.07 55.56 3d2u s TYR 114 Cb 0.07 0.45 0.05 0.00 0.35 0.00 0.00 41.96 42.87 3d2u s TYR 114 CO -0.00 -0.53 0.25 -2.00 -1.34 0.00 0.00 175.55 171.93 3d2u s GLU 115 N -1.61 0.22 0.04 4.97 2.12 -0.70 -1.13 118.70 122.61 3d2u s GLU 115 Ca -0.05 0.53 -0.03 0.00 0.36 0.00 0.00 54.97 55.78 3d2u s GLU 115 Cb -0.00 -0.10 -0.02 0.00 0.26 0.00 0.00 34.13 34.27 3d2u s GLU 115 CO 0.03 -0.15 0.03 0.20 -0.54 0.00 0.00 175.26 174.83 3d2u s GLY 116 N 1.18 0.27 -0.00 -1.50 0.00 0.15 -0.35 107.32 107.07 3d2u s GLY 116 Ca -0.09 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 43.92 3d2u s GLY 116 CO -0.08 -0.86 -0.11 -1.36 0.00 0.00 0.00 173.10 170.69 3d2u s PHE 117 N -2.73 0.97 -0.00 1.90 0.40 -0.15 -0.89 117.98 117.48 3d2u s PHE 117 Ca -0.04 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.09 3d2u s PHE 117 Cb -0.01 -0.61 -0.00 0.00 0.51 0.00 0.00 43.02 42.91 3d2u s PHE 117 CO -0.05 -0.01 -0.03 0.20 0.70 0.00 0.00 175.22 176.03 3d2u s GLY 118 N -0.40 0.13 -0.12 4.36 0.00 0.18 0.31 107.32 111.78 3d2u s GLY 118 Ca 0.03 -0.11 0.02 0.00 0.00 0.00 0.00 44.72 44.65 3d2u s GLY 118 CO -0.00 -0.10 -0.16 0.86 0.00 0.00 0.00 173.10 173.70 3d2u s TRP 119 N -0.07 2.15 -1.58 1.90 -0.11 0.47 0.24 118.94 121.94 3d2u s TRP 119 Ca 0.01 -1.08 -0.04 0.00 1.22 0.00 0.00 56.10 56.22 3d2u s TRP 119 Cb -0.01 -1.54 0.01 0.00 -1.50 0.00 0.00 33.47 30.43 3d2u s TRP 119 CO -0.00 -0.55 0.45 -3.47 -4.62 0.00 0.00 176.95 168.76 3d2u n ASP 120 N 4.31 -5.88 0.00 5.86 2.03 -0.15 -1.41 116.55 121.32 3d2u n ASP 120 Ca -0.19 -0.22 0.00 0.00 0.52 0.00 0.00 54.79 54.90 3d2u n ASP 120 Cb 0.51 -4.79 0.00 0.00 -0.72 0.00 0.00 41.12 36.12 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 -1.37 0.76 3.56 0.27 0.00 -1.26 -4.77 105.19 102.38 3d2u n GLY 121 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.00 3.34 0.16 1.61 0.41 -0.50 -5.07 118.70 118.65 3d2u s GLU 122 Ca 0.00 -0.49 -0.32 0.00 -0.41 0.00 0.00 54.97 53.75 3d2u s GLU 122 Cb 0.00 -2.83 -0.10 0.00 -1.78 0.00 0.00 34.13 29.42 3d2u s GLU 122 CO 0.00 0.44 1.61 0.99 -0.49 0.00 0.00 175.26 177.80 3d2u s THR 123 N -0.16 2.56 -0.21 3.63 2.01 -1.26 -0.40 115.64 121.81 3d2u s THR 123 Ca 0.03 0.37 -0.05 0.00 0.31 0.00 0.00 61.69 62.35 3d2u s THR 123 Cb -0.13 -3.24 -0.11 0.00 0.01 0.00 0.00 72.50 69.04 3d2u s THR 123 CO 0.02 0.03 -0.23 -0.11 -0.69 0.00 0.00 174.62 173.64 3d2u n LEU 124 N 4.17 2.18 -3.61 4.42 7.94 0.15 -4.17 117.00 128.07 3d2u n LEU 124 Ca 0.14 0.09 -0.14 0.00 -1.11 0.00 0.00 56.01 55.00 3d2u n LEU 124 Cb 0.38 -0.66 -0.07 0.00 0.53 0.00 0.00 43.42 43.61 3d2u n LEU 124 CO 0.62 0.62 0.50 0.00 -1.11 0.00 0.00 177.39 178.02 3d2u s MET 125 N -2.39 0.81 0.06 1.96 0.23 -1.16 -3.16 119.30 115.64 3d2u s MET 125 Ca -0.28 0.74 0.03 0.00 -1.03 0.00 0.00 55.69 55.15 3d2u s MET 125 Cb 0.09 0.39 -0.03 0.00 -1.53 0.00 0.00 34.83 33.76 3d2u s MET 125 CO 0.41 -0.14 -0.10 -1.21 -2.03 0.00 0.00 175.02 171.95 3d2u s GLU 126 N -0.02 0.68 -0.17 3.16 2.02 -0.75 -0.98 118.70 122.64 3d2u s GLU 126 Ca -0.02 -0.89 -0.02 0.00 0.02 0.00 0.00 54.97 54.06 3d2u s GLU 126 Cb -0.04 -0.52 0.05 0.00 0.10 0.00 0.00 34.13 33.72 3d2u s GLU 126 CO 0.01 0.10 0.01 -1.17 0.02 0.00 0.00 175.26 174.24 3d2u s LEU 127 N -1.78 1.18 0.00 1.80 2.96 0.53 -0.99 118.68 122.38 3d2u s LEU 127 Ca -0.05 -0.67 0.03 0.00 -0.22 0.00 0.00 54.13 53.22 3d2u s LEU 127 Cb -0.09 -0.63 -0.01 0.00 0.50 0.00 0.00 46.19 45.96 3d2u s LEU 127 CO 0.01 -0.26 0.10 2.29 -1.32 0.00 0.00 176.35 177.17 3d2u n LYS 128 N 5.03 0.31 0.00 1.98 2.85 -1.26 -1.72 118.16 125.34 3d2u n LYS 128 Ca -0.09 -1.37 0.00 0.00 -1.05 0.00 0.00 58.31 55.80 3d2u n LYS 128 Cb 0.48 1.03 0.00 0.00 -0.65 0.00 0.00 35.03 35.89 3d2u n LYS 128 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3d2u n ASP 129 N -2.32 0.00 -0.54 -5.58 8.00 -1.26 -2.17 116.55 112.67 3d2u n ASP 129 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 3d2u n ASP 129 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 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 -1.28 0.00 -3.43 -2.24 2.04 -1.26 -4.67 115.26 104.42 3d2u n ASN 130 Ca 0.00 0.00 -0.13 0.00 -0.44 0.00 0.00 54.58 54.01 3d2u n ASN 130 Cb 0.00 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.23 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 0.33 -0.21 0.00 -4.53 4.77 -0.92 -4.76 117.00 111.67 3d2u n LEU 131 Ca 0.00 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 3d2u n LEU 131 Cb 0.00 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 3d2u n LEU 131 CO 0.00 0.22 -0.33 0.35 -1.33 0.00 0.00 177.39 176.30 3d2u n THR 132 N -2.31 0.00 -4.12 -5.08 -2.24 -1.26 -4.72 114.28 94.54 3d2u n THR 132 Ca -0.08 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.39 3d2u n THR 132 Cb 0.22 -0.36 -0.16 0.00 -2.10 0.00 0.00 70.33 67.93 3d2u n THR 132 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3d2u s LEU 133 N -2.68 1.81 -0.10 3.22 1.43 -1.26 -4.98 118.68 116.13 3d2u s LEU 133 Ca 0.00 -0.52 -0.28 0.00 -1.03 0.00 0.00 54.13 52.29 3d2u s LEU 133 Cb 0.00 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 3d2u s LEU 133 CO 0.00 -0.03 0.93 0.26 0.23 0.00 0.00 176.35 177.75 3d2u s TRP 134 N 1.35 3.53 0.46 0.29 0.52 -1.26 -4.60 118.94 119.23 3d2u s TRP 134 Ca 0.03 1.51 0.05 0.00 0.02 0.00 0.00 56.10 57.71 3d2u s TRP 134 Cb -0.13 -3.10 0.02 0.00 -1.15 0.00 0.00 33.47 29.10 3d2u s TRP 134 CO -0.10 -0.16 0.64 0.95 0.02 0.00 0.00 176.95 178.31 3d2u s THR 135 N 1.74 3.07 0.00 2.01 -4.23 -0.16 -4.90 115.64 113.16 3d2u s THR 135 Ca 0.46 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 60.13 3d2u s THR 135 Cb -0.18 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.58 3d2u s THR 135 CO 0.19 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 3d2u n GLY 136 N -2.02 4.82 3.70 3.99 0.00 -1.26 -1.81 105.19 112.60 3d2u n GLY 136 Ca 0.07 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 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 2.22 0.97 -1.14 1.61 0.02 -1.19 -4.64 135.00 132.85 3d2u s PRO 137 Ca 0.00 0.74 -0.12 0.00 0.02 0.00 0.00 61.00 61.64 3d2u s PRO 137 Cb 0.00 -1.78 0.22 0.00 0.02 0.00 0.00 34.50 32.96 3d2u s PRO 137 CO 0.00 -2.42 1.25 1.21 -0.33 0.00 0.00 177.00 176.71 3d2u s ASN 138 N -3.41 7.18 0.49 2.53 3.84 -1.26 -4.87 114.94 119.44 3d2u s ASN 138 Ca 0.64 -3.26 0.18 0.00 0.21 0.00 0.00 52.86 50.63 3d2u s ASN 138 Cb -0.18 -2.30 0.96 0.00 -0.55 0.00 0.00 41.25 39.18 3d2u s ASN 138 CO 0.57 -0.52 1.48 1.88 -2.79 0.00 0.00 177.10 177.72 3d2u h TYR 139 N 6.98 0.00 -0.05 0.43 0.99 -1.92 -1.64 116.97 121.77 3d2u h TYR 139 Ca 0.24 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.78 3d2u h TYR 139 Cb 0.88 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.61 3d2u h TYR 139 CO 0.93 0.00 -0.77 0.93 -0.00 0.00 0.00 178.16 179.26 3d2u h GLU 140 N 0.00 0.31 -0.00 4.88 5.08 -2.03 -3.35 114.58 119.48 3d2u h GLU 140 Ca 0.00 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3d2u h GLU 140 Cb 0.81 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3d2u h GLU 140 CO 0.00 0.94 -0.18 0.44 -1.00 0.00 0.00 179.01 179.20 3d2u n ILE 141 N -3.79 0.00 -3.85 3.13 -5.35 -0.67 -5.04 119.36 103.80 3d2u n ILE 141 Ca -0.04 -0.41 -0.37 0.00 -0.27 0.00 0.00 62.75 61.67 3d2u n ILE 141 Cb 0.73 1.05 -0.06 0.00 -1.74 0.00 0.00 39.64 39.61 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 -1.22 6.38 0.61 7.28 0.15 -0.88 -4.96 113.70 121.05 3d2u s SER 142 Ca 0.04 0.45 0.37 0.00 0.70 0.00 0.00 55.95 57.51 3d2u s SER 142 Cb 0.05 -2.08 2.02 0.00 -1.71 0.00 0.00 66.02 64.31 3d2u s SER 142 CO 0.19 0.37 2.27 4.11 1.20 0.00 0.00 173.24 181.38 3d2u h TRP 143 N 5.21 0.00 0.00 3.44 5.08 -1.91 -2.48 115.95 125.30 3d2u h TRP 143 Ca -0.53 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.44 3d2u h TRP 143 Cb 1.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 3d2u h TRP 143 CO 0.73 0.02 0.13 1.28 -1.28 0.00 0.00 178.44 179.32 3d2u n LEU 144 N -3.41 0.00 0.28 0.11 4.77 -1.26 -0.86 117.00 116.63 3d2u n LEU 144 Ca -0.03 0.33 0.18 0.00 -0.03 0.00 0.00 56.01 56.47 3d2u n LEU 144 Cb 0.12 -0.33 0.82 0.00 -2.33 0.00 0.00 43.42 41.69 3d2u n LEU 144 CO 0.24 -0.33 1.03 0.07 -1.33 0.00 0.00 177.39 177.07 3d2u h LYS 145 N 0.00 0.00 0.00 3.23 2.10 -1.71 -2.08 116.57 118.11 3d2u h LYS 145 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3d2u h LYS 145 Cb 0.25 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 3d2u h LYS 145 CO 0.00 0.00 -0.02 0.37 -2.00 0.00 0.00 179.45 177.80 3d2u h GLN 146 N 0.00 0.00 -0.26 0.07 5.75 -1.27 -2.81 115.11 116.59 3d2u h GLN 146 Ca 0.00 0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.27 3d2u h GLN 146 Cb 0.33 0.00 -0.29 0.00 1.07 0.00 0.00 27.48 28.58 3d2u h GLN 146 CO 0.00 0.02 -0.86 1.04 -2.65 0.00 0.00 178.83 176.39 3d2u n GLN 147 N -3.27 1.64 -0.14 1.69 1.13 -0.79 -4.93 117.38 112.71 3d2u n GLN 147 Ca -0.02 -3.19 -0.03 0.00 -1.94 0.00 0.00 57.00 51.82 3d2u n GLN 147 Cb 0.15 -1.32 0.05 0.00 0.11 0.00 0.00 30.24 29.22 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 1.62 0.11 -0.37 -1.09 3.64 -1.43 0.03 116.57 119.08 3d2u h LYS 148 Ca -0.01 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 3d2u h LYS 148 Cb 1.43 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.20 3d2u h LYS 148 CO 0.24 0.07 -0.12 1.79 -2.27 0.00 0.00 179.45 179.16 3d2u h THR 149 N 0.12 1.25 -0.26 1.00 1.35 -1.92 0.36 112.91 114.81 3d2u h THR 149 Ca 0.23 -1.11 -0.05 0.00 -0.55 0.00 0.00 66.41 64.93 3d2u h THR 149 Cb 0.34 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 3d2u h THR 149 CO -0.38 0.37 -0.02 0.22 -0.25 0.00 0.00 175.52 175.47 3d2u h TYR 150 N 0.59 0.51 0.35 4.73 3.20 -1.84 -0.43 116.97 124.07 3d2u h TYR 150 Ca 0.10 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 3d2u h TYR 150 Cb 0.55 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.70 3d2u h TYR 150 CO 0.02 0.64 -0.17 0.82 -1.64 0.00 0.00 178.16 177.84 3d2u h ILE 151 N 0.23 0.66 -0.36 1.81 2.04 -0.67 -2.06 117.51 119.16 3d2u h ILE 151 Ca 0.07 -0.37 0.09 0.00 1.00 0.00 0.00 64.86 65.65 3d2u h ILE 151 Cb 0.45 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3d2u h ILE 151 CO 0.02 0.07 0.25 0.44 0.00 0.00 0.00 178.15 178.93 3d2u h ASP 152 N -0.68 0.07 -0.58 1.72 3.32 -0.34 0.06 116.42 120.00 3d2u h ASP 152 Ca -0.05 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 3d2u h ASP 152 Cb 0.48 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 3d2u h ASP 152 CO 0.08 0.04 0.07 1.23 -1.72 0.00 0.00 179.24 178.95 3d2u h GLY 153 N 0.08 1.05 0.56 2.75 0.00 -0.73 -0.20 103.07 106.58 3d2u h GLY 153 Ca 0.17 -0.72 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 3d2u h GLY 153 CO -0.01 0.66 -0.02 0.50 0.00 0.00 0.00 176.54 177.67 3d2u h LYS 154 N 0.87 -0.05 -0.81 4.80 1.79 -0.32 -3.15 116.57 119.70 3d2u h LYS 154 Ca 0.17 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.76 3d2u h LYS 154 Cb 0.45 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.03 3d2u h LYS 154 CO 0.02 0.37 0.43 0.82 -1.08 0.00 0.00 179.45 180.01 3d2u h ILE 155 N -0.49 0.84 -2.57 1.86 2.04 -1.23 -2.21 117.51 115.75 3d2u h ILE 155 Ca -0.01 -0.24 -0.80 0.00 1.00 0.00 0.00 64.86 64.81 3d2u h ILE 155 Cb 0.45 0.08 -0.28 0.00 -0.74 0.00 0.00 36.82 36.33 3d2u h ILE 155 CO 0.01 0.13 0.88 0.29 0.00 0.00 0.00 178.15 179.45 3d2u n LYS 156 N -4.81 4.93 0.00 2.37 4.76 -0.09 -2.82 118.16 122.49 3d2u n LYS 156 Ca 0.14 -4.62 0.00 0.00 -2.87 0.00 0.00 58.31 50.96 3d2u n LYS 156 Cb 0.33 -2.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.03 3d2u n LYS 156 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3d2u n ASN 157 N 0.60 0.00 -4.66 4.39 4.05 -0.85 -4.82 115.26 113.98 3d2u n ASN 157 Ca 0.37 -0.37 -0.43 0.00 0.45 0.00 0.00 54.58 54.60 3d2u n ASN 157 Cb 0.30 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.29 3d2u n ASN 157 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3d2u s ILE 158 N 0.00 4.68 0.68 -1.44 -1.09 -1.13 -5.01 121.20 117.89 3d2u s ILE 158 Ca 0.00 1.99 -0.15 0.00 -2.23 0.00 0.00 60.65 60.26 3d2u s ILE 158 Cb 0.00 -4.30 0.01 0.00 -1.58 0.00 0.00 42.46 36.59 3d2u s ILE 158 CO 0.00 -0.18 1.15 -0.94 -1.23 0.00 0.00 174.94 173.74 3d2u s SER 159 N 1.22 4.78 0.45 3.58 1.04 -1.26 -4.90 113.70 118.61 3d2u s SER 159 Ca 0.43 2.17 0.28 0.00 0.48 0.00 0.00 55.95 59.32 3d2u s SER 159 Cb -0.15 -2.57 0.93 0.00 0.10 0.00 0.00 66.02 64.33 3d2u s SER 159 CO 0.06 -1.86 1.81 1.05 0.98 0.00 0.00 173.24 175.29 3d2u h GLU 160 N 0.01 0.00 -0.05 4.02 9.09 -1.95 -2.13 114.58 123.58 3d2u h GLU 160 Ca -0.47 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 58.77 3d2u h GLU 160 Cb 1.27 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.38 3d2u h GLU 160 CO 0.52 0.00 -0.62 0.78 0.05 0.00 0.00 179.01 179.74 3d2u h GLY 161 N 2.95 0.56 2.00 1.06 0.00 -1.99 -1.07 103.07 106.58 3d2u h GLY 161 Ca 0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 47.33 46.34 3d2u h GLY 161 CO 0.00 0.79 -0.47 -0.55 0.00 0.00 0.00 176.54 176.30 3d2u h ASP 162 N 0.06 0.00 0.39 0.19 3.45 -1.89 -2.67 116.42 115.96 3d2u h ASP 162 Ca -0.06 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.38 3d2u h ASP 162 Cb 1.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.07 3d2u h ASP 162 CO 0.12 0.47 -0.19 0.74 -1.57 0.00 0.00 179.24 178.82 3d2u h THR 163 N 0.00 0.00 -0.93 0.35 2.02 -1.39 -3.19 112.91 109.76 3d2u h THR 163 Ca -0.00 -0.23 0.32 0.00 0.77 0.00 0.00 66.41 67.26 3d2u h THR 163 Cb 0.92 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.16 3d2u h THR 163 CO 0.06 0.00 0.23 0.35 0.37 0.00 0.00 175.52 176.53 3d2u n THR 164 N -4.04 -0.39 0.15 3.16 -2.24 -0.41 0.18 114.28 110.69 3d2u n THR 164 Ca -0.06 1.98 0.03 0.00 -2.27 0.00 0.00 64.05 63.73 3d2u n THR 164 Cb 0.21 -3.03 0.42 0.00 -2.10 0.00 0.00 70.33 65.83 3d2u n THR 164 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3d2u h ILE 165 N 0.00 1.17 -0.00 2.28 2.10 -1.52 -0.71 117.51 120.83 3d2u h ILE 165 Ca 0.67 -0.75 -0.15 0.00 1.08 0.00 0.00 64.86 65.70 3d2u h ILE 165 Cb 1.57 1.26 -0.02 0.00 -1.09 0.00 0.00 36.82 38.55 3d2u h ILE 165 CO -0.81 0.23 -0.72 1.56 -1.08 0.00 0.00 178.15 177.33 3d2u h GLN 166 N 0.15 0.00 -0.09 2.19 1.08 0.19 -2.62 115.11 116.01 3d2u h GLN 166 Ca 0.03 -0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.09 3d2u h GLN 166 Cb 0.37 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 3d2u h GLN 166 CO 0.02 0.72 -0.57 -0.09 -0.95 0.00 0.00 178.83 177.97 3d2u h ARG 167 N 0.00 0.27 0.00 1.46 2.43 -0.39 -2.85 114.38 115.30 3d2u h ARG 167 Ca -0.01 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 58.96 3d2u h ARG 167 Cb 1.28 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3d2u h ARG 167 CO 0.09 0.76 -0.12 -0.91 -1.51 0.00 0.00 179.97 178.29 3d2u h ASN 168 N 0.21 0.00 0.21 -3.80 2.35 -1.08 -1.38 115.58 112.09 3d2u h ASN 168 Ca -0.00 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.53 3d2u h ASN 168 Cb 1.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.43 3d2u h ASN 168 CO 0.09 0.12 -0.87 0.22 -1.65 0.00 0.00 177.43 175.34 3d2u h TYR 169 N 0.00 0.70 0.02 1.19 3.20 -1.32 -1.15 116.97 119.61 3d2u h TYR 169 Ca -0.00 -0.35 -0.25 0.00 3.14 0.00 0.00 58.73 61.27 3d2u h TYR 169 Cb 0.95 -0.09 0.01 0.00 1.54 0.00 0.00 36.73 39.14 3d2u h TYR 169 CO 0.00 1.16 -1.03 -0.07 -1.64 0.00 0.00 178.16 176.58 3d2u h LEU 170 N 0.30 0.69 0.00 2.82 3.38 -1.32 -2.16 115.31 119.02 3d2u h LEU 170 Ca -0.07 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.33 3d2u h LEU 170 Cb 1.49 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3d2u h LEU 170 CO 0.16 1.38 -0.61 0.11 0.09 0.00 0.00 178.44 179.57 3d2u h LYS 171 N 0.28 0.00 0.00 1.13 1.57 -1.34 -3.35 116.57 114.87 3d2u h LYS 171 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3d2u h LYS 171 Cb 1.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.99 3d2u h LYS 171 CO 0.19 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.48 3d2u n GLY 172 N 1.25 0.45 0.26 3.86 0.00 -0.43 -4.54 105.19 106.04 3d2u n GLY 172 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 3d2u n GLY 172 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d2u n ASN 173 N 0.00 -0.19 0.02 1.61 4.13 -1.23 -0.39 115.26 119.21 3d2u n ASN 173 Ca 0.00 1.25 -0.07 0.00 1.68 0.00 0.00 54.58 57.44 3d2u n ASN 173 Cb 0.00 -0.41 0.11 0.00 -1.54 0.00 0.00 39.78 37.94 3d2u n ASN 173 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3d2u h THR 175 N 0.39 1.39 -0.06 0.00 1.35 -0.86 -1.18 112.91 113.94 3d2u h THR 175 Ca 0.02 -1.56 -0.02 0.00 -0.55 0.00 0.00 66.41 64.30 3d2u h THR 175 Cb 0.97 2.12 -0.01 0.00 -1.73 0.00 0.00 68.15 69.51 3d2u h THR 175 CO 0.09 0.45 -0.07 1.56 -0.25 0.00 0.00 175.52 177.30 3d2u h GLN 176 N -0.07 0.08 0.00 4.72 4.20 -0.95 -0.43 115.11 122.66 3d2u h GLN 176 Ca -0.00 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3d2u h GLN 176 Cb 0.86 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 3d2u h GLN 176 CO 0.06 0.16 -0.41 -1.49 -0.67 0.00 0.00 178.83 176.49 3d2u h TRP 177 N 0.08 0.00 -0.53 2.96 4.06 -0.51 -2.47 115.95 119.55 3d2u h TRP 177 Ca 0.02 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.85 3d2u h TRP 177 Cb 0.19 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.33 3d2u h TRP 177 CO 0.00 0.27 -0.14 0.77 -3.56 0.00 0.00 178.44 175.78 3d2u h SER 178 N 0.00 1.04 -0.02 -3.49 0.02 0.15 0.52 113.55 111.78 3d2u h SER 178 Ca -0.01 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3d2u h SER 178 Cb 1.22 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 3d2u h SER 178 CO 0.03 1.16 0.00 -0.37 -1.14 0.00 0.00 176.83 176.52 3d2u h VAL 179 N 0.90 1.20 0.13 2.27 -1.51 -1.11 -1.51 116.25 116.62 3d2u h VAL 179 Ca 0.13 -0.61 0.02 0.00 -1.23 0.00 0.00 66.70 65.01 3d2u h VAL 179 Cb 0.71 1.58 -0.05 0.00 -2.13 0.00 0.00 31.29 31.41 3d2u h VAL 179 CO 0.05 0.16 -0.45 0.40 -1.23 0.00 0.00 177.57 176.50 3d2u h ILE 180 N -0.22 0.11 -0.58 7.19 1.08 -1.20 -1.82 117.51 122.06 3d2u h ILE 180 Ca 0.00 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.60 3d2u h ILE 180 Cb 0.26 0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 34.08 3d2u h ILE 180 CO 0.00 0.00 0.40 1.88 -0.69 0.00 0.00 178.15 179.74 3d2u h TYR 181 N -0.70 0.27 -0.43 1.37 0.05 -0.89 -0.45 116.97 116.19 3d2u h TYR 181 Ca 0.01 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.83 3d2u h TYR 181 Cb 0.71 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.34 3d2u h TYR 181 CO -0.39 0.12 0.29 0.77 -1.05 0.00 0.00 178.16 177.90 3d2u h SER 182 N 0.24 0.39 1.45 3.88 0.02 -0.39 -1.34 113.55 117.82 3d2u h SER 182 Ca 0.28 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 3d2u h SER 182 Cb 0.76 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 3d2u h SER 182 CO -0.06 0.27 -0.09 1.23 -1.14 0.00 0.00 176.83 177.04 3d2u h GLY 183 N 0.46 0.00 0.00 -3.77 0.00 -0.92 -3.30 103.07 95.53 3d2u h GLY 183 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3d2u h GLY 183 CO -0.04 0.00 -1.27 0.69 0.00 0.00 0.00 176.54 175.92 3d2u n PHE 184 N -3.16 0.00 -1.92 5.60 3.01 -0.57 -5.02 117.46 115.41 3d2u n PHE 184 Ca 0.02 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.17 3d2u n PHE 184 Cb 0.46 -0.16 0.01 0.00 -0.01 0.00 0.00 39.48 39.79 3d2u n PHE 184 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 3d2u s GLN 185 N -3.05 3.41 0.97 -1.08 -2.07 -0.81 -4.81 119.66 112.22 3d2u s GLN 185 Ca 0.03 0.94 -0.11 0.00 -1.82 0.00 0.00 55.36 54.40 3d2u s GLN 185 Cb 0.14 -2.05 0.17 0.00 -1.09 0.00 0.00 33.01 30.18 3d2u s GLN 185 CO 0.83 -0.72 1.11 -2.14 -1.32 0.00 0.00 175.29 173.05 3d2u s PRO 186 N -4.71 0.61 0.78 9.60 0.02 -1.26 -5.03 135.00 135.02 3d2u s PRO 186 Ca 0.58 1.31 -0.09 0.00 0.02 0.00 0.00 61.00 62.82 3d2u s PRO 186 Cb -0.13 -1.70 0.10 0.00 0.02 0.00 0.00 34.50 32.80 3d2u s PRO 186 CO 0.47 -2.83 1.11 -1.25 -0.33 0.00 0.00 177.00 174.17 3d2u s PRO 187 N -4.63 1.78 0.06 5.54 0.04 -1.26 -4.94 135.00 131.59 3d2u s PRO 187 Ca 0.67 -0.29 -0.35 0.00 0.04 0.00 0.00 61.00 61.07 3d2u s PRO 187 Cb -0.23 -2.07 -0.14 0.00 0.04 0.00 0.00 34.50 32.10 3d2u s PRO 187 CO 0.59 -1.58 1.63 0.28 0.04 0.00 0.00 177.00 177.96 3d2u n VAL 188 N -3.17 0.17 -3.94 -0.36 0.31 -1.26 -4.88 118.33 105.19 3d2u n VAL 188 Ca 0.10 -0.03 -0.35 0.00 -0.01 0.00 0.00 64.34 64.05 3d2u n VAL 188 Cb 0.60 -1.48 -0.14 0.00 -0.91 0.00 0.00 33.84 31.91 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 1.80 2.99 0.46 2.52 2.01 0.12 -5.00 115.64 120.55 3d2u s THR 189 Ca 0.84 -1.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.65 3d2u s THR 189 Cb -0.75 -2.53 -0.10 0.00 0.01 0.00 0.00 72.50 69.13 3d2u s THR 189 CO 0.45 0.18 0.97 -1.00 -0.69 0.00 0.00 174.62 174.52 3d2u s HIS 190 N 1.34 3.28 0.64 4.92 3.76 -1.26 -1.16 115.29 126.81 3d2u s HIS 190 Ca 0.00 1.58 -0.14 0.00 -0.15 0.00 0.00 55.06 56.34 3d2u s HIS 190 Cb -0.17 -2.87 -0.01 0.00 1.11 0.00 0.00 32.58 30.64 3d2u s HIS 190 CO -0.04 -0.29 1.08 -1.25 -0.85 0.00 0.00 174.74 173.39 3d2u s PRO 191 N -3.38 3.03 -0.10 8.40 0.04 -1.26 -4.65 135.00 137.08 3d2u s PRO 191 Ca 0.62 1.22 -0.17 0.00 0.04 0.00 0.00 61.00 62.70 3d2u s PRO 191 Cb -0.10 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 3d2u s PRO 191 CO 0.18 -1.05 0.46 0.08 0.04 0.00 0.00 177.00 176.71 3d2u s VAL 192 N -2.54 5.16 -0.13 -0.36 1.01 -0.15 -4.83 120.40 118.55 3d2u s VAL 192 Ca 0.63 0.92 0.02 0.00 0.00 0.00 0.00 61.98 63.55 3d2u s VAL 192 Cb -0.17 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 3d2u s VAL 192 CO 0.42 0.38 -0.18 -0.69 0.00 0.00 0.00 175.10 175.03 3d2u s VAL 193 N 0.30 2.51 0.00 2.92 1.01 -1.26 -0.10 120.40 125.79 3d2u s VAL 193 Ca 0.25 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.42 3d2u s VAL 193 Cb -0.15 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 3d2u s VAL 193 CO 0.11 0.54 -0.12 -0.75 0.00 0.00 0.00 175.10 174.87 3d2u s LYS 194 N 0.55 0.93 0.23 2.72 2.20 -0.55 -4.99 119.74 120.82 3d2u s LYS 194 Ca -0.11 -0.49 -0.15 0.00 -0.36 0.00 0.00 55.97 54.85 3d2u s LYS 194 Cb -0.16 -0.90 0.01 0.00 -1.51 0.00 0.00 37.83 35.26 3d2u s LYS 194 CO 0.04 0.24 0.52 0.20 -0.36 0.00 0.00 175.35 175.99 3d2u s GLY 195 N -0.48 0.27 0.00 5.54 0.00 -1.26 -0.77 107.32 110.61 3d2u s GLY 195 Ca 0.04 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.14 3d2u s GLY 195 CO -0.00 -0.45 0.00 0.61 0.00 0.00 0.00 173.10 173.25 3d2u n GLY 196 N -0.37 -0.77 3.14 0.20 0.00 -0.81 -4.89 105.19 101.69 3d2u n GLY 196 Ca -0.04 -0.79 -0.16 0.00 0.00 0.00 0.00 46.02 45.03 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 0.91 0.39 1.61 -7.23 -1.24 -0.75 120.40 111.09 3d2u s VAL 197 Ca 0.00 -1.32 -0.12 0.00 -1.81 0.00 0.00 61.98 58.73 3d2u s VAL 197 Cb 0.00 -1.00 0.05 0.00 0.56 0.00 0.00 36.38 35.98 3d2u s VAL 197 CO 0.00 -0.35 0.72 0.00 -0.31 0.00 0.00 175.10 175.17 3d2u s ARG 198 N -1.93 2.21 -1.30 4.82 1.70 0.51 -4.95 118.95 120.01 3d2u s ARG 198 Ca -0.03 -1.56 -0.08 0.00 -0.47 0.00 0.00 55.73 53.59 3d2u s ARG 198 Cb -0.08 0.59 -0.00 0.00 -0.57 0.00 0.00 34.95 34.88 3d2u s ARG 198 CO 0.01 -1.01 0.58 0.09 -1.08 0.00 0.00 175.30 173.89 3d2u n ASN 199 N -1.51 -2.24 -4.75 -2.89 3.02 -1.26 -0.74 115.26 104.89 3d2u n ASN 199 Ca -0.06 -1.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.07 3d2u n ASN 199 Cb 0.60 -3.22 -0.02 0.00 -0.61 0.00 0.00 39.78 36.54 3d2u n ASN 199 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3d2u s GLN 200 N -6.33 4.26 -0.24 3.52 -1.52 -1.26 -4.33 119.66 113.77 3d2u s GLN 200 Ca 0.18 2.32 -0.04 0.00 -1.95 0.00 0.00 55.36 55.87 3d2u s GLN 200 Cb -0.07 -3.09 0.08 0.00 -0.22 0.00 0.00 33.01 29.71 3d2u s GLN 200 CO 0.87 -0.40 0.11 1.21 -0.25 0.00 0.00 175.29 176.84 3d2u s ASN 201 N 0.19 3.01 1.94 5.90 3.04 0.42 -4.98 114.94 124.46 3d2u s ASN 201 Ca 0.57 -0.99 0.00 0.00 0.04 0.00 0.00 52.86 52.48 3d2u s ASN 201 Cb -0.42 -0.31 0.00 0.00 -1.54 0.00 0.00 41.25 38.98 3d2u s ASN 201 CO 0.47 -0.40 0.00 -0.67 -3.04 0.00 0.00 177.10 173.46 3d2u n ASP 202 N 5.26 0.00 -1.78 -4.21 2.03 -1.26 -1.09 116.55 115.50 3d2u n ASP 202 Ca -0.06 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.32 3d2u n ASP 202 Cb 0.45 0.00 0.39 0.00 -0.72 0.00 0.00 41.12 41.24 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 7.93 5.44 -4.51 1.67 2.04 -1.26 -4.94 115.26 121.63 3d2u n ASN 203 Ca 0.00 -2.82 -0.25 0.00 -0.44 0.00 0.00 54.58 51.07 3d2u n ASN 203 Cb 0.00 -0.65 -0.10 0.00 -2.53 0.00 0.00 39.78 36.50 3d2u n ASN 203 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3d2u s ARG 204 N -2.54 1.83 0.37 -3.83 1.70 -0.25 -1.48 118.95 114.76 3d2u s ARG 204 Ca 0.53 -1.51 -0.09 0.00 -0.47 0.00 0.00 55.73 54.20 3d2u s ARG 204 Cb 0.39 -1.96 0.03 0.00 -0.57 0.00 0.00 34.95 32.84 3d2u s ARG 204 CO 0.18 0.38 0.63 0.00 -1.08 0.00 0.00 175.30 175.42 3d2u s ALA 205 N -2.02 0.05 -0.11 7.88 0.00 0.25 -0.44 121.76 127.37 3d2u s ALA 205 Ca 0.26 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 51.08 3d2u s ALA 205 Cb -0.07 0.92 0.01 0.00 0.00 0.00 0.00 23.12 23.98 3d2u s ALA 205 CO 0.14 -0.89 -0.17 -2.00 0.00 0.00 0.00 175.76 172.84 3d2u s GLU 206 N -2.64 2.43 0.10 0.00 2.12 0.08 -1.21 118.70 119.59 3d2u s GLU 206 Ca 0.23 -0.64 -0.07 0.00 0.36 0.00 0.00 54.97 54.85 3d2u s GLU 206 Cb -0.03 -2.02 -0.06 0.00 0.26 0.00 0.00 34.13 32.29 3d2u s GLU 206 CO 0.16 -0.03 0.38 0.00 -0.54 0.00 0.00 175.26 175.23 3d2u s ALA 207 N 0.89 3.76 0.04 6.30 0.00 -0.34 -0.37 121.76 132.05 3d2u s ALA 207 Ca -0.08 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 3d2u s ALA 207 Cb -0.15 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 3d2u s ALA 207 CO -0.01 0.62 -0.03 -0.59 0.00 0.00 0.00 175.76 175.75 3d2u s PHE 208 N -1.50 0.41 -0.21 0.00 -0.12 0.08 -1.01 117.98 115.62 3d2u s PHE 208 Ca 0.36 -0.83 -0.09 0.00 -0.05 0.00 0.00 56.93 56.31 3d2u s PHE 208 Cb -0.13 -0.30 0.08 0.00 -0.63 0.00 0.00 43.02 42.04 3d2u s PHE 208 CO 0.21 -0.30 0.47 0.00 -0.05 0.00 0.00 175.22 175.55 3d2u s THR 210 N 2.11 1.10 -0.14 0.00 2.01 0.05 -0.78 115.64 119.98 3d2u s THR 210 Ca -0.06 -0.59 -0.03 0.00 0.31 0.00 0.00 61.69 61.33 3d2u s THR 210 Cb -0.10 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 3d2u s THR 210 CO -0.14 0.31 -0.06 -0.44 -0.69 0.00 0.00 174.62 173.60 3d2u s SER 211 N -0.29 4.60 0.07 3.53 0.01 -0.27 -1.49 113.70 119.87 3d2u s SER 211 Ca 0.05 -0.17 0.09 0.00 1.31 0.00 0.00 55.95 57.23 3d2u s SER 211 Cb -0.06 -1.71 -0.03 0.00 0.21 0.00 0.00 66.02 64.43 3d2u s SER 211 CO -0.00 0.18 -0.24 -0.31 0.41 0.00 0.00 173.24 173.27 3d2u s TYR 212 N 0.30 2.38 -1.46 2.43 1.51 0.86 -2.14 117.35 121.23 3d2u s TYR 212 Ca -0.05 -0.36 -0.06 0.00 -1.01 0.00 0.00 57.07 55.58 3d2u s TYR 212 Cb -0.14 -1.37 0.05 0.00 -0.11 0.00 0.00 41.96 40.38 3d2u s TYR 212 CO 0.04 0.22 0.69 0.41 -1.11 0.00 0.00 175.55 175.80 3d2u n GLY 213 N 1.45 -0.34 3.79 0.71 0.00 -0.80 -0.98 105.19 109.02 3d2u n GLY 213 Ca -0.17 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.61 3.23 -0.17 1.61 -0.12 -0.99 -4.61 117.98 113.32 3d2u s PHE 214 Ca 0.29 0.10 -0.12 0.00 -0.05 0.00 0.00 56.93 57.15 3d2u s PHE 214 Cb -0.15 -1.64 0.05 0.00 -0.63 0.00 0.00 43.02 40.65 3d2u s PHE 214 CO 0.86 0.53 0.44 0.12 -0.05 0.00 0.00 175.22 177.12 3d2u s PHE 215 N -1.38 -0.58 1.04 3.49 5.36 -0.31 0.10 117.98 125.70 3d2u s PHE 215 Ca 0.29 1.29 -0.14 0.00 -0.96 0.00 0.00 56.93 57.41 3d2u s PHE 215 Cb -0.12 0.24 0.21 0.00 -0.34 0.00 0.00 43.02 43.01 3d2u s PHE 215 CO 0.22 -0.31 1.11 -1.25 -1.46 0.00 0.00 175.22 173.53 3d2u s PRO 216 N 0.91 0.07 0.17 10.12 0.04 -1.26 0.15 135.00 145.19 3d2u s PRO 216 Ca -0.05 0.32 0.17 0.00 0.04 0.00 0.00 61.00 61.47 3d2u s PRO 216 Cb -0.06 -1.71 0.77 0.00 0.04 0.00 0.00 34.50 33.53 3d2u s PRO 216 CO -0.07 -2.93 1.51 0.41 0.04 0.00 0.00 177.00 175.96 3d2u n GLY 217 N -1.23 -0.97 3.71 0.56 0.00 -1.26 -4.78 105.19 101.21 3d2u n GLY 217 Ca 0.07 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3d2u n GLY 217 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d2u s GLU 218 N -3.24 4.33 0.06 1.61 8.01 -1.26 -4.99 118.70 123.22 3d2u s GLU 218 Ca 0.03 2.00 -0.25 0.00 0.01 0.00 0.00 54.97 56.76 3d2u s GLU 218 Cb 0.07 -3.34 0.06 0.00 -4.31 0.00 0.00 34.13 26.62 3d2u s GLU 218 CO 0.25 -0.44 0.60 -1.50 0.01 0.00 0.00 175.26 174.18 3d2u s ILE 219 N 1.39 0.01 -0.09 -1.63 2.07 -1.26 -4.82 121.20 116.86 3d2u s ILE 219 Ca 0.64 -0.07 0.01 0.00 -1.41 0.00 0.00 60.65 59.81 3d2u s ILE 219 Cb -0.34 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.27 3d2u s ILE 219 CO 0.29 -0.04 -0.09 -1.58 -1.91 0.00 0.00 174.94 171.62 3d2u s GLN 220 N -2.58 1.50 -0.18 3.50 0.74 -0.56 -5.01 119.66 117.06 3d2u s GLN 220 Ca -0.04 -0.28 0.01 0.00 0.05 0.00 0.00 55.36 55.09 3d2u s GLN 220 Cb -0.01 -1.44 0.02 0.00 1.10 0.00 0.00 33.01 32.69 3d2u s GLN 220 CO -0.03 -0.15 -0.18 0.42 -0.55 0.00 0.00 175.29 174.80 3d2u s ILE 221 N 1.30 1.98 -0.02 -2.34 1.09 -1.26 -0.77 121.20 121.18 3d2u s ILE 221 Ca -0.03 -0.95 0.03 0.00 -1.10 0.00 0.00 60.65 58.60 3d2u s ILE 221 Cb -0.14 -1.83 -0.00 0.00 -1.06 0.00 0.00 42.46 39.43 3d2u s ILE 221 CO -0.03 0.47 -0.11 -0.89 -0.10 0.00 0.00 174.94 174.28 3d2u s THR 222 N 1.31 0.87 -0.13 2.92 2.01 0.33 -4.99 115.64 117.97 3d2u s THR 222 Ca 0.04 -0.44 -0.19 0.00 0.31 0.00 0.00 61.69 61.41 3d2u s THR 222 Cb -0.14 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 3d2u s THR 222 CO -0.12 0.26 0.52 -0.36 -0.69 0.00 0.00 174.62 174.23 3d2u s PHE 223 N -0.01 3.50 -0.23 4.92 0.40 -1.26 -0.41 117.98 124.88 3d2u s PHE 223 Ca -0.00 0.93 -0.06 0.00 -0.60 0.00 0.00 56.93 57.20 3d2u s PHE 223 Cb -0.07 -2.61 -0.02 0.00 0.51 0.00 0.00 43.02 40.83 3d2u s PHE 223 CO 0.00 0.11 0.02 0.42 0.70 0.00 0.00 175.22 176.46 3d2u s ILE 224 N 0.84 3.89 -0.38 0.64 -1.09 -0.46 -4.98 121.20 119.67 3d2u s ILE 224 Ca 0.27 -0.32 -0.17 0.00 -2.23 0.00 0.00 60.65 58.20 3d2u s ILE 224 Cb -0.16 -2.80 0.00 0.00 -1.58 0.00 0.00 42.46 37.93 3d2u s ILE 224 CO 0.11 0.38 0.47 -2.28 -1.23 0.00 0.00 174.94 172.39 3d2u s HIS 225 N 1.51 3.17 -1.01 3.97 5.65 -1.26 -1.86 115.29 125.46 3d2u s HIS 225 Ca 0.06 -0.04 -0.02 0.00 0.25 0.00 0.00 55.06 55.30 3d2u s HIS 225 Cb -0.15 -2.90 0.30 0.00 -1.18 0.00 0.00 32.58 28.65 3d2u s HIS 225 CO 0.01 -0.59 1.36 0.66 -0.65 0.00 0.00 174.74 175.53 3d2u n TYR 226 N 5.68 2.51 -3.98 3.88 4.02 0.12 -4.94 117.16 124.44 3d2u n TYR 226 Ca -0.06 -2.85 0.02 0.00 -0.01 0.00 0.00 57.90 55.01 3d2u n TYR 226 Cb 0.48 -1.15 0.01 0.00 -0.02 0.00 0.00 39.34 38.67 3d2u n TYR 226 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3d2u n GLY 227 N 1.26 0.28 0.00 2.72 0.00 -1.26 -3.93 105.19 104.27 3d2u n GLY 227 Ca 0.27 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3d2u n GLY 227 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d2u n ASP 228 N -0.95 0.92 -4.36 1.61 8.00 -1.26 -5.01 116.55 115.50 3d2u n ASP 228 Ca 0.04 -0.96 -0.33 0.00 0.71 0.00 0.00 54.79 54.25 3d2u n ASP 228 Cb 0.50 0.09 -0.15 0.00 -0.02 0.00 0.00 41.12 41.54 3d2u n ASP 228 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3d2u s LYS 229 N -0.10 3.09 -0.10 -1.24 3.01 -1.26 -5.11 119.74 118.04 3d2u s LYS 229 Ca 0.00 -0.73 -0.07 0.00 -1.01 0.00 0.00 55.97 54.16 3d2u s LYS 229 Cb 0.00 -2.50 0.03 0.00 -1.01 0.00 0.00 37.83 34.36 3d2u s LYS 229 CO 0.00 0.31 0.24 0.08 0.51 0.00 0.00 175.35 176.49 3d2u s VAL 230 N 0.09 -0.02 0.46 3.17 1.01 -1.26 -4.68 120.40 119.17 3d2u s VAL 230 Ca -0.07 0.06 -0.24 0.00 0.00 0.00 0.00 61.98 61.73 3d2u s VAL 230 Cb -0.15 -0.36 -0.08 0.00 0.00 0.00 0.00 36.38 35.79 3d2u s VAL 230 CO 0.05 0.02 1.34 -2.65 0.00 0.00 0.00 175.10 173.86 3d2u n PRO 231 N 3.47 1.98 -0.30 2.72 -0.02 -1.26 -4.87 135.00 136.72 3d2u n PRO 231 Ca -0.18 0.71 0.05 0.00 -2.02 0.00 0.00 63.50 62.07 3d2u n PRO 231 Cb 0.56 -2.51 0.26 0.00 -0.02 0.00 0.00 33.50 31.79 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 1.99 0.95 -0.00 -0.52 4.57 -2.00 -1.42 114.58 118.15 3d2u h GLU 232 Ca -0.50 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.63 3d2u h GLU 232 Cb 1.29 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3d2u h GLU 232 CO 0.59 0.63 -0.03 -0.40 -1.18 0.00 0.00 179.01 178.62 3d2u n ASP 233 N -4.51 0.35 -4.76 1.04 5.75 -1.26 -4.92 116.55 108.24 3d2u n ASP 233 Ca 0.15 -0.81 -0.41 0.00 -0.01 0.00 0.00 54.79 53.71 3d2u n ASP 233 Cb 0.25 -0.07 -0.02 0.00 -1.03 0.00 0.00 41.12 40.25 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 -2.23 6.75 -0.30 -1.12 0.15 -0.54 -4.98 113.70 111.44 3d2u s SER 234 Ca 0.38 2.64 -0.07 0.00 0.70 0.00 0.00 55.95 59.60 3d2u s SER 234 Cb 0.21 -2.64 0.15 0.00 -1.71 0.00 0.00 66.02 62.04 3d2u s SER 234 CO 0.41 -0.59 0.63 -0.70 1.20 0.00 0.00 173.24 174.19 3d2u s GLU 235 N -1.10 0.58 0.40 5.44 2.12 -1.26 -5.00 118.70 119.87 3d2u s GLU 235 Ca 0.53 1.30 -0.27 0.00 0.36 0.00 0.00 54.97 56.90 3d2u s GLU 235 Cb -0.40 0.77 -0.10 0.00 0.26 0.00 0.00 34.13 34.66 3d2u s GLU 235 CO 0.48 -0.34 1.41 -2.30 -0.54 0.00 0.00 175.26 173.96 3d2u n PRO 236 N 5.44 2.35 -3.80 4.30 -0.02 -1.26 -4.66 135.00 137.34 3d2u n PRO 236 Ca -0.08 0.83 -0.13 0.00 -2.02 0.00 0.00 63.50 62.10 3d2u n PRO 236 Cb 0.50 -2.56 -0.13 0.00 -0.02 0.00 0.00 33.50 31.28 3d2u n PRO 236 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3d2u s GLN 237 N -2.20 0.16 -0.00 -0.52 2.00 0.02 -5.00 119.66 114.12 3d2u s GLN 237 Ca 0.57 0.25 0.07 0.00 -2.00 0.00 0.00 55.36 54.26 3d2u s GLN 237 Cb -0.49 0.03 -0.02 0.00 0.80 0.00 0.00 33.01 33.33 3d2u s GLN 237 CO 0.61 -0.05 -0.23 0.00 -0.50 0.00 0.00 175.29 175.11 3d2u s ASN 239 N -0.87 2.56 0.98 0.00 0.01 0.29 -4.97 114.94 112.94 3d2u s ASN 239 Ca 0.11 0.95 -0.12 0.00 -0.71 0.00 0.00 52.86 53.09 3d2u s ASN 239 Cb -0.10 -1.48 0.18 0.00 0.41 0.00 0.00 41.25 40.26 3d2u s ASN 239 CO 0.01 -3.14 1.08 -2.84 -1.51 0.00 0.00 177.10 170.69 3d2u s PRO 240 N -5.20 0.55 -0.27 -0.60 0.02 -1.26 -4.65 135.00 123.59 3d2u s PRO 240 Ca 0.66 0.85 -0.29 0.00 0.02 0.00 0.00 61.00 62.24 3d2u s PRO 240 Cb -0.15 -1.73 0.01 0.00 0.02 0.00 0.00 34.50 32.65 3d2u s PRO 240 CO 0.56 -2.73 1.16 -1.17 -0.33 0.00 0.00 177.00 174.48 3d2u s LEU 241 N -6.55 3.99 0.05 -5.54 2.96 -1.26 -4.64 118.68 107.69 3d2u s LEU 241 Ca 0.65 1.26 0.06 0.00 -0.22 0.00 0.00 54.13 55.88 3d2u s LEU 241 Cb -0.20 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 3d2u s LEU 241 CO 0.59 -0.87 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.88 3d2u s LEU 242 N 3.73 2.97 0.23 -0.68 1.43 0.01 -4.95 118.68 121.42 3d2u s LEU 242 Ca 0.49 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.27 3d2u s LEU 242 Cb -0.15 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 3d2u s LEU 242 CO 0.16 0.24 0.44 -2.16 0.23 0.00 0.00 176.35 175.26 3d2u s PRO 243 N -1.68 3.56 0.28 1.29 0.04 -1.26 0.03 135.00 137.26 3d2u s PRO 243 Ca 0.18 -0.22 0.10 0.00 0.04 0.00 0.00 61.00 61.09 3d2u s PRO 243 Cb -0.11 -2.78 -0.05 0.00 0.04 0.00 0.00 34.50 31.60 3d2u s PRO 243 CO 0.09 0.34 -0.14 0.95 0.04 0.00 0.00 177.00 178.28 3d2u s THR 244 N -1.94 2.13 0.36 1.26 -4.23 -0.84 -4.91 115.64 107.47 3d2u s THR 244 Ca 0.40 -2.27 0.08 0.00 -1.18 0.00 0.00 61.69 58.72 3d2u s THR 244 Cb -0.11 -2.35 0.31 0.00 1.34 0.00 0.00 72.50 71.70 3d2u s THR 244 CO 0.29 -0.38 1.91 0.25 -0.54 0.00 0.00 174.62 176.15 3d2u h LEU 245 N 2.28 0.64 0.00 4.79 5.85 -1.99 -2.23 115.31 124.65 3d2u h LEU 245 Ca -0.40 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3d2u h LEU 245 Cb 1.24 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.17 3d2u h LEU 245 CO 0.64 0.36 0.00 -0.90 -0.34 0.00 0.00 178.44 178.20 3d2u n ASP 246 N -4.52 0.00 0.00 1.25 5.75 -1.26 -4.81 116.55 112.96 3d2u n ASP 246 Ca 0.14 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.97 3d2u n ASP 246 Cb 0.38 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 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 0.10 0.62 3.51 6.12 0.00 -0.84 -4.92 105.19 109.78 3d2u n GLY 247 Ca 0.05 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 3d2u n GLY 247 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3d2u n THR 248 N -2.73 0.00 -4.45 2.61 -2.24 -1.25 -4.84 114.28 101.37 3d2u n THR 248 Ca 0.00 -1.98 -0.22 0.00 -2.27 0.00 0.00 64.05 59.58 3d2u n THR 248 Cb 0.00 -0.12 -0.11 0.00 -2.10 0.00 0.00 70.33 68.01 3d2u n THR 248 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3d2u s PHE 249 N -2.49 1.99 0.01 4.78 0.08 0.28 -1.99 117.98 120.64 3d2u s PHE 249 Ca 0.32 -0.81 0.01 0.00 0.12 0.00 0.00 56.93 56.57 3d2u s PHE 249 Cb -0.03 -1.24 -0.01 0.00 -0.57 0.00 0.00 43.02 41.18 3d2u s PHE 249 CO 0.20 0.18 -0.02 -1.58 -0.10 0.00 0.00 175.22 173.90 3d2u s HIS 250 N -3.11 0.20 -0.29 0.36 5.65 0.10 -1.90 115.29 116.30 3d2u s HIS 250 Ca 0.33 -0.14 -0.12 0.00 0.25 0.00 0.00 55.06 55.37 3d2u s HIS 250 Cb 0.06 -0.13 0.12 0.00 -1.18 0.00 0.00 32.58 31.46 3d2u s HIS 250 CO 0.14 -0.04 0.73 -1.14 -0.65 0.00 0.00 174.74 173.77 3d2u s GLN 251 N -0.37 0.56 0.03 2.88 0.74 -0.91 -0.81 119.66 121.78 3d2u s GLN 251 Ca -0.03 1.26 0.06 0.00 0.05 0.00 0.00 55.36 56.70 3d2u s GLN 251 Cb -0.03 0.61 -0.03 0.00 1.10 0.00 0.00 33.01 34.66 3d2u s GLN 251 CO -0.00 -0.17 -0.14 0.20 -0.55 0.00 0.00 175.29 174.63 3d2u s GLY 252 N 2.47 1.64 0.11 2.59 0.00 -1.26 -1.11 107.32 111.76 3d2u s GLY 252 Ca -0.07 -1.14 0.03 0.00 0.00 0.00 0.00 44.72 43.54 3d2u s GLY 252 CO -0.19 -1.03 -0.08 0.00 0.00 0.00 0.00 173.10 171.80 3d2u s TYR 254 N -3.41 0.52 -0.25 0.00 -0.85 0.12 -1.08 117.35 112.41 3d2u s TYR 254 Ca 0.13 -0.91 -0.18 0.00 -0.52 0.00 0.00 57.07 55.59 3d2u s TYR 254 Cb 0.04 -0.21 0.07 0.00 0.38 0.00 0.00 41.96 42.24 3d2u s TYR 254 CO -0.02 -0.62 0.63 0.54 -1.52 0.00 0.00 175.55 174.55 3d2u s VAL 255 N -3.98 -0.00 0.13 -3.49 0.11 -0.18 -0.80 120.40 112.19 3d2u s VAL 255 Ca 0.17 0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.94 3d2u s VAL 255 Cb 0.05 -0.89 -0.07 0.00 -1.53 0.00 0.00 36.38 33.94 3d2u s VAL 255 CO -0.01 0.01 1.19 0.00 -3.33 0.00 0.00 175.10 172.95 3d2u s ALA 256 N 1.02 3.41 0.22 1.54 0.00 -1.26 -1.19 121.76 125.50 3d2u s ALA 256 Ca -0.05 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.80 3d2u s ALA 256 Cb -0.05 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 3d2u s ALA 256 CO -0.10 -0.37 0.17 0.96 0.00 0.00 0.00 175.76 176.42 3d2u s ILE 257 N 0.40 0.00 -0.11 0.00 -0.00 -0.35 -4.57 121.20 116.57 3d2u s ILE 257 Ca 0.55 -1.98 -0.16 0.00 -0.00 0.00 0.00 60.65 59.06 3d2u s ILE 257 Cb -0.31 -2.49 -0.05 0.00 -0.00 0.00 0.00 42.46 39.61 3d2u s ILE 257 CO 0.33 0.00 0.40 -0.36 -0.00 0.00 0.00 174.94 175.31 3d2u s PHE 258 N -4.02 3.54 0.22 1.37 2.99 -1.26 -0.58 117.98 120.24 3d2u s PHE 258 Ca 0.39 0.82 0.35 0.00 0.00 0.00 0.00 56.93 58.48 3d2u s PHE 258 Cb 0.06 -2.43 1.76 0.00 0.00 0.00 0.00 43.02 42.41 3d2u s PHE 258 CO 0.15 0.30 2.06 0.66 -0.00 0.00 0.00 175.22 178.38 3d2u h SER 259 N 6.27 0.00 -0.22 1.36 4.64 -1.53 -2.62 113.55 121.45 3d2u h SER 259 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3d2u h SER 259 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3d2u h SER 259 CO 0.72 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.22 3d2u n ASN 260 N -2.80 1.20 -4.87 4.97 0.23 -1.26 -4.87 115.26 107.86 3d2u n ASN 260 Ca -0.01 -2.01 -0.34 0.00 -0.53 0.00 0.00 54.58 51.69 3d2u n ASN 260 Cb 0.13 -0.16 -0.06 0.00 -2.08 0.00 0.00 39.78 37.62 3d2u n ASN 260 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 3d2u s GLN 261 N -1.70 3.37 -0.10 -3.83 -1.52 -0.99 -5.03 119.66 109.86 3d2u s GLN 261 Ca 0.15 -0.29 -0.26 0.00 -1.95 0.00 0.00 55.36 53.01 3d2u s GLN 261 Cb 0.08 -3.08 -0.02 0.00 -0.22 0.00 0.00 33.01 29.76 3d2u s GLN 261 CO 0.10 0.71 0.84 -0.80 -0.25 0.00 0.00 175.29 175.89 3d2u s ASN 262 N -1.58 7.08 0.03 5.90 -0.87 -1.25 -4.33 114.94 119.93 3d2u s ASN 262 Ca 0.22 1.32 0.02 0.00 -1.57 0.00 0.00 52.86 52.85 3d2u s ASN 262 Cb -0.12 -2.48 -0.02 0.00 -0.02 0.00 0.00 41.25 38.61 3d2u s ASN 262 CO 0.13 -0.29 -0.07 -0.31 -2.57 0.00 0.00 177.10 173.98 3d2u s TYR 263 N 1.51 0.60 0.23 2.20 1.51 0.09 -0.70 117.35 122.80 3d2u s TYR 263 Ca 0.42 -0.45 0.03 0.00 -1.01 0.00 0.00 57.07 56.06 3d2u s TYR 263 Cb -0.18 -0.37 -0.05 0.00 -0.11 0.00 0.00 41.96 41.25 3d2u s TYR 263 CO 0.18 -0.08 0.02 0.95 -1.11 0.00 0.00 175.55 175.51 3d2u s THR 264 N -1.22 0.88 -0.10 -0.71 -4.23 -0.78 -0.58 115.64 108.91 3d2u s THR 264 Ca -0.09 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.44 3d2u s THR 264 Cb -0.09 -2.40 -0.01 0.00 1.34 0.00 0.00 72.50 71.34 3d2u s THR 264 CO 0.00 -0.26 -0.22 0.00 -0.54 0.00 0.00 174.62 173.61 3d2u s ARG 266 N 0.22 3.20 -0.15 0.00 3.52 0.45 -1.80 118.95 124.40 3d2u s ARG 266 Ca -0.14 -0.78 0.01 0.00 -0.13 0.00 0.00 55.73 54.69 3d2u s ARG 266 Cb -0.17 -2.52 0.02 0.00 -1.56 0.00 0.00 34.95 30.72 3d2u s ARG 266 CO 0.07 0.11 -0.15 0.08 -0.81 0.00 0.00 175.30 174.60 3d2u s VAL 267 N 0.55 1.65 -0.23 7.11 1.01 -0.12 -0.51 120.40 129.87 3d2u s VAL 267 Ca -0.11 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 3d2u s VAL 267 Cb -0.16 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 3d2u s VAL 267 CO 0.04 0.47 0.00 -0.89 0.00 0.00 0.00 175.10 174.72 3d2u s THR 268 N 1.35 3.78 0.00 3.92 2.01 0.05 -0.72 115.64 126.03 3d2u s THR 268 Ca 0.03 -0.36 0.00 0.00 0.31 0.00 0.00 61.69 61.67 3d2u s THR 268 Cb -0.13 -2.73 0.00 0.00 0.01 0.00 0.00 72.50 69.64 3d2u s THR 268 CO -0.09 0.40 0.00 1.57 -0.69 0.00 0.00 174.62 175.80 3d2u n HIS 269 N 4.75 0.00 0.00 4.92 -0.00 0.32 -1.50 115.22 123.71 3d2u n HIS 269 Ca -0.17 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.01 3d2u n HIS 269 Cb 0.51 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.38 3d2u n HIS 269 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3d2u n GLY 270 N 3.06 0.43 2.75 1.57 0.00 -1.26 -4.76 105.19 106.98 3d2u n GLY 270 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 6.39 -3.70 1.61 3.02 -1.26 -4.89 115.26 116.44 3d2u n ASN 271 Ca 0.00 -3.72 -0.11 0.00 -0.03 0.00 0.00 54.58 50.72 3d2u n ASN 271 Cb 0.00 -0.92 -0.11 0.00 -0.61 0.00 0.00 39.78 38.13 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 -3.99 -0.57 -0.04 3.10 -0.00 -1.26 -5.15 118.94 111.02 3d2u s TRP 272 Ca 0.45 1.22 0.02 0.00 -0.00 0.00 0.00 56.10 57.79 3d2u s TRP 272 Cb 0.28 0.23 0.01 0.00 -0.00 0.00 0.00 33.47 33.99 3d2u s TRP 272 CO -0.19 -0.33 -0.07 0.99 -0.00 0.00 0.00 176.95 177.34 3d2u s THR 273 N 1.45 0.69 0.06 5.86 2.01 -1.26 -0.52 115.64 123.93 3d2u s THR 273 Ca -0.09 -0.26 0.07 0.00 0.31 0.00 0.00 61.69 61.72 3d2u s THR 273 Cb -0.09 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 3d2u s THR 273 CO -0.12 0.24 -0.20 0.54 -0.69 0.00 0.00 174.62 174.39 3d2u s VAL 274 N 0.56 1.60 -0.04 3.82 0.11 0.10 -4.97 120.40 121.58 3d2u s VAL 274 Ca -0.08 -1.25 0.01 0.00 -2.93 0.00 0.00 61.98 57.73 3d2u s VAL 274 Cb -0.12 -1.41 0.02 0.00 -1.53 0.00 0.00 36.38 33.34 3d2u s VAL 274 CO 0.01 0.12 -0.05 -0.70 -3.33 0.00 0.00 175.10 171.14 3d2u s GLU 275 N -1.34 0.84 0.01 1.54 2.12 -1.26 -0.94 118.70 119.67 3d2u s GLU 275 Ca 0.06 -0.14 0.03 0.00 0.36 0.00 0.00 54.97 55.28 3d2u s GLU 275 Cb -0.09 -0.82 -0.01 0.00 0.26 0.00 0.00 34.13 33.46 3d2u s GLU 275 CO 0.02 -0.04 -0.10 0.96 -0.54 0.00 0.00 175.26 175.56 3d2u s ILE 276 N 0.73 0.80 0.53 -3.70 -5.25 -0.74 -4.96 121.20 108.60 3d2u s ILE 276 Ca -0.10 -0.65 -0.20 0.00 -0.99 0.00 0.00 60.65 58.70 3d2u s ILE 276 Cb -0.13 -0.71 -0.06 0.00 2.95 0.00 0.00 42.46 44.51 3d2u s ILE 276 CO 0.00 0.06 1.15 -2.16 -1.79 0.00 0.00 174.94 172.21 3d2u s PRO 277 N -0.66 3.42 0.00 0.37 0.04 -1.26 -0.55 135.00 136.36 3d2u s PRO 277 Ca 0.01 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.74 3d2u s PRO 277 Cb -0.06 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3d2u s PRO 277 CO 0.00 -0.81 0.00 -0.89 0.04 0.00 0.00 177.00 175.34 3d2u n ILE 278 N -1.10 0.00 -3.67 0.56 5.41 0.25 -4.78 119.36 116.03 3d2u n ILE 278 Ca 0.11 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.75 3d2u n ILE 278 Cb 0.50 -0.68 -0.08 0.00 -0.71 0.00 0.00 39.64 38.66 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 -2.62 -0.70 0.00 4.38 1.04 -1.00 -3.69 113.70 111.12 3d2u s SER 279 Ca 0.00 1.22 0.00 0.00 0.48 0.00 0.00 55.95 57.65 3d2u s SER 279 Cb 0.00 1.16 0.00 0.00 0.10 0.00 0.00 66.02 67.28 3d2u s SER 279 CO 0.00 -0.21 0.00 1.33 0.98 0.00 0.00 173.24 175.34