#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dx6 s SER 2 N 0.00 6.90 0.11 1.61 0.01 -1.26 -2.64 113.70 118.43 3dx6 s SER 2 Ca 0.00 1.24 -0.02 0.00 1.31 0.00 0.00 55.95 58.48 3dx6 s SER 2 Cb 0.00 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 3dx6 s SER 2 CO 0.00 0.02 0.05 -1.00 0.41 0.00 0.00 173.24 172.72 3dx6 s HIS 3 N -1.58 0.71 0.03 2.43 0.09 -0.13 -4.99 115.29 111.85 3dx6 s HIS 3 Ca 0.43 -1.14 0.01 0.00 -0.00 0.00 0.00 55.06 54.35 3dx6 s HIS 3 Cb -0.15 -0.42 -0.02 0.00 -0.00 0.00 0.00 32.58 31.99 3dx6 s HIS 3 CO 0.20 -0.49 -0.05 -1.54 -0.00 0.00 0.00 174.74 172.86 3dx6 s SER 4 N -3.00 0.46 -0.03 1.40 1.04 -1.26 -0.38 113.70 111.92 3dx6 s SER 4 Ca 0.18 -0.50 0.05 0.00 0.48 0.00 0.00 55.95 56.16 3dx6 s SER 4 Cb 0.07 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.26 3dx6 s SER 4 CO -0.02 -0.25 -0.19 -0.32 0.98 0.00 0.00 173.24 173.44 3dx6 s MET 5 N -1.45 1.80 -0.01 4.02 -2.45 -0.29 -0.72 119.30 120.21 3dx6 s MET 5 Ca -0.13 -0.67 0.00 0.00 -1.25 0.00 0.00 55.69 53.64 3dx6 s MET 5 Cb -0.10 -1.61 0.01 0.00 1.25 0.00 0.00 34.83 34.38 3dx6 s MET 5 CO -0.00 0.32 0.00 1.03 1.05 0.00 0.00 175.02 177.42 3dx6 s ARG 6 N -0.16 0.02 -0.07 4.11 1.81 -0.33 -1.67 118.95 122.67 3dx6 s ARG 6 Ca 0.00 0.04 0.02 0.00 -1.72 0.00 0.00 55.73 54.06 3dx6 s ARG 6 Cb -0.10 -0.09 -0.03 0.00 -0.45 0.00 0.00 34.95 34.28 3dx6 s ARG 6 CO 0.01 -0.04 -0.10 0.71 -0.68 0.00 0.00 175.30 175.20 3dx6 s TYR 7 N 0.27 2.83 -0.15 -0.53 2.02 -0.17 -0.66 117.35 120.96 3dx6 s TYR 7 Ca -0.02 -0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.55 3dx6 s TYR 7 Cb -0.03 -1.70 0.02 0.00 -0.40 0.00 0.00 41.96 39.84 3dx6 s TYR 7 CO -0.01 0.19 -0.16 -0.06 -1.57 0.00 0.00 175.55 173.94 3dx6 s PHE 8 N -0.59 2.30 -0.09 2.71 0.40 0.15 -1.86 117.98 121.00 3dx6 s PHE 8 Ca 0.09 -1.27 -0.03 0.00 -0.60 0.00 0.00 56.93 55.12 3dx6 s PHE 8 Cb -0.12 -1.65 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 3dx6 s PHE 8 CO 0.02 -0.66 0.05 0.71 0.70 0.00 0.00 175.22 176.04 3dx6 s TYR 9 N 1.30 3.31 -0.10 0.36 1.51 0.24 -1.52 117.35 122.45 3dx6 s TYR 9 Ca 0.02 0.30 -0.00 0.00 -1.01 0.00 0.00 57.07 56.38 3dx6 s TYR 9 Cb -0.13 -1.83 0.02 0.00 -0.11 0.00 0.00 41.96 39.90 3dx6 s TYR 9 CO -0.09 0.56 -0.07 0.99 -1.11 0.00 0.00 175.55 175.83 3dx6 s THR 10 N -0.94 0.95 -0.21 -0.71 2.01 -0.44 -1.52 115.64 114.78 3dx6 s THR 10 Ca 0.14 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.89 3dx6 s THR 10 Cb -0.12 -0.96 0.04 0.00 0.01 0.00 0.00 72.50 71.47 3dx6 s THR 10 CO 0.03 0.35 -0.16 0.00 -0.69 0.00 0.00 174.62 174.15 3dx6 s ALA 11 N 1.53 2.39 -0.19 7.40 0.00 0.11 -0.94 121.76 132.05 3dx6 s ALA 11 Ca 0.01 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 50.56 3dx6 s ALA 11 Cb -0.13 -1.34 0.04 0.00 0.00 0.00 0.00 23.12 21.69 3dx6 s ALA 11 CO -0.06 -0.70 -0.11 1.41 0.00 0.00 0.00 175.76 176.30 3dx6 s MET 12 N 1.23 2.12 0.60 0.00 1.75 -0.12 -1.12 119.30 123.77 3dx6 s MET 12 Ca -0.01 -0.79 -0.15 0.00 -1.25 0.00 0.00 55.69 53.49 3dx6 s MET 12 Cb -0.16 -2.36 -0.04 0.00 2.84 0.00 0.00 34.83 35.11 3dx6 s MET 12 CO -0.10 -0.38 1.05 -1.54 -0.65 0.00 0.00 175.02 173.40 3dx6 s SER 13 N 1.41 5.86 -0.47 1.11 1.04 -0.31 -1.26 113.70 121.07 3dx6 s SER 13 Ca 0.00 1.74 0.06 0.00 0.48 0.00 0.00 55.95 58.23 3dx6 s SER 13 Cb -0.15 -2.52 0.24 0.00 0.10 0.00 0.00 66.02 63.69 3dx6 s SER 13 CO -0.09 -1.12 0.81 -2.11 0.98 0.00 0.00 173.24 171.72 3dx6 n ARG 14 N -2.16 0.77 -1.65 4.02 1.85 -1.26 -3.99 116.66 114.24 3dx6 n ARG 14 Ca 0.08 -2.05 -0.46 0.00 -1.00 0.00 0.00 57.85 54.42 3dx6 n ARG 14 Cb 0.53 -1.41 -0.03 0.00 -1.05 0.00 0.00 32.46 30.50 3dx6 n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3dx6 n PRO 15 N 1.59 1.80 -0.06 2.89 -0.02 -1.26 -0.56 135.00 139.38 3dx6 n PRO 15 Ca 0.12 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3dx6 n PRO 15 Cb 0.61 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3dx6 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dx6 n GLY 16 N 2.14 1.58 1.81 -1.23 0.00 -1.26 -4.89 105.19 103.34 3dx6 n GLY 16 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 3dx6 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dx6 n ARG 17 N -2.00 2.18 0.00 1.61 1.74 0.27 -5.11 116.66 115.35 3dx6 n ARG 17 Ca 0.00 -3.50 0.00 0.00 -0.77 0.00 0.00 57.85 53.58 3dx6 n ARG 17 Cb 0.00 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 3dx6 n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dx6 n GLY 18 N -0.61 -2.07 3.84 -0.13 0.00 -1.25 -4.93 105.19 100.04 3dx6 n GLY 18 Ca 0.24 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 3dx6 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dx6 s GLU 19 N -0.13 3.48 0.25 1.61 0.41 -1.26 -4.56 118.70 118.49 3dx6 s GLU 19 Ca 0.00 0.93 -0.31 0.00 -0.41 0.00 0.00 54.97 55.18 3dx6 s GLU 19 Cb 0.00 -2.06 -0.13 0.00 -1.78 0.00 0.00 34.13 30.15 3dx6 s GLU 19 CO 0.00 -0.66 1.38 -2.30 -0.49 0.00 0.00 175.26 173.18 3dx6 n PRO 20 N -2.42 1.99 -2.47 0.39 -0.02 -1.26 -4.79 135.00 126.42 3dx6 n PRO 20 Ca 0.07 0.71 -0.41 0.00 -2.02 0.00 0.00 63.50 61.85 3dx6 n PRO 20 Cb 0.54 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 3dx6 n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3dx6 s ARG 21 N -0.56 4.56 -0.13 -0.52 3.52 -0.39 -4.80 118.95 120.62 3dx6 s ARG 21 Ca 0.67 1.76 0.02 0.00 -0.13 0.00 0.00 55.73 58.05 3dx6 s ARG 21 Cb -0.65 -3.27 0.01 0.00 -1.56 0.00 0.00 34.95 29.48 3dx6 s ARG 21 CO 0.51 0.01 -0.20 0.12 -0.81 0.00 0.00 175.30 174.93 3dx6 s PHE 22 N -0.10 2.47 -0.02 5.12 5.36 -1.26 -0.94 117.98 128.61 3dx6 s PHE 22 Ca 0.51 -1.24 0.06 0.00 -0.96 0.00 0.00 56.93 55.30 3dx6 s PHE 22 Cb -0.30 -1.70 -0.02 0.00 -0.34 0.00 0.00 43.02 40.66 3dx6 s PHE 22 CO 0.35 -0.59 -0.20 0.42 -1.46 0.00 0.00 175.22 173.75 3dx6 s ILE 23 N 0.90 1.56 -0.05 3.12 1.01 -0.12 -1.03 121.20 126.59 3dx6 s ILE 23 Ca -0.06 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.78 3dx6 s ILE 23 Cb -0.15 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.02 3dx6 s ILE 23 CO -0.03 0.44 -0.15 -0.89 0.00 0.00 0.00 174.94 174.32 3dx6 s THR 24 N -0.46 1.28 0.02 2.92 2.01 -0.04 -1.32 115.64 120.04 3dx6 s THR 24 Ca 0.08 -0.61 0.07 0.00 0.31 0.00 0.00 61.69 61.54 3dx6 s THR 24 Cb -0.08 -1.12 -0.02 0.00 0.01 0.00 0.00 72.50 71.29 3dx6 s THR 24 CO -0.01 0.38 -0.21 0.68 -0.69 0.00 0.00 174.62 174.77 3dx6 s VAL 25 N 0.24 1.66 -0.03 3.82 -7.23 -0.58 -0.67 120.40 117.62 3dx6 s VAL 25 Ca -0.07 -1.08 0.07 0.00 -1.81 0.00 0.00 61.98 59.09 3dx6 s VAL 25 Cb -0.12 -1.42 -0.02 0.00 0.56 0.00 0.00 36.38 35.38 3dx6 s VAL 25 CO 0.03 0.30 -0.23 -0.83 -0.31 0.00 0.00 175.10 174.06 3dx6 s GLY 26 N -0.92 1.34 0.05 2.32 0.00 -0.40 -0.68 107.32 109.03 3dx6 s GLY 26 Ca 0.08 -1.09 0.07 0.00 0.00 0.00 0.00 44.72 43.78 3dx6 s GLY 26 CO 0.01 -0.89 -0.18 -0.19 0.00 0.00 0.00 173.10 171.84 3dx6 s TYR 27 N -0.64 1.61 -0.19 1.90 1.51 0.17 -0.68 117.35 121.02 3dx6 s TYR 27 Ca 0.10 -0.37 -0.03 0.00 -1.01 0.00 0.00 57.07 55.77 3dx6 s TYR 27 Cb -0.10 -0.95 -0.01 0.00 -0.11 0.00 0.00 41.96 40.79 3dx6 s TYR 27 CO -0.01 0.08 -0.07 0.08 -1.11 0.00 0.00 175.55 174.53 3dx6 s VAL 28 N -0.84 3.30 0.00 0.71 1.01 -0.38 -1.18 120.40 123.01 3dx6 s VAL 28 Ca 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3dx6 s VAL 28 Cb -0.09 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.83 3dx6 s VAL 28 CO 0.02 0.46 0.00 0.47 0.00 0.00 0.00 175.10 176.04 3dx6 n ASP 29 N 4.41 0.00 -2.07 3.32 8.00 0.10 -1.22 116.55 129.10 3dx6 n ASP 29 Ca -0.18 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.18 3dx6 n ASP 29 Cb 0.51 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.86 3dx6 n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3dx6 n ASP 30 N 3.98 4.24 -4.13 -2.24 8.00 -1.26 -4.89 116.55 120.26 3dx6 n ASP 30 Ca 0.00 -3.43 -0.33 0.00 0.71 0.00 0.00 54.79 51.74 3dx6 n ASP 30 Cb 0.00 -0.78 -0.15 0.00 -0.02 0.00 0.00 41.12 40.17 3dx6 n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dx6 s THR 31 N -3.15 2.46 0.21 -3.53 2.01 -0.36 -5.00 115.64 108.28 3dx6 s THR 31 Ca 0.56 -1.34 -0.31 0.00 0.31 0.00 0.00 61.69 60.91 3dx6 s THR 31 Cb 0.46 -2.33 -0.10 0.00 0.01 0.00 0.00 72.50 70.54 3dx6 s THR 31 CO 0.12 0.10 1.51 -0.22 -0.69 0.00 0.00 174.62 175.44 3dx6 s LEU 32 N 1.21 4.37 0.00 4.42 2.96 -1.26 -1.25 118.68 129.13 3dx6 s LEU 32 Ca -0.04 2.65 0.00 0.00 -0.22 0.00 0.00 54.13 56.52 3dx6 s LEU 32 Cb -0.18 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.90 3dx6 s LEU 32 CO -0.05 -0.78 0.00 2.22 -1.32 0.00 0.00 176.35 176.42 3dx6 n PHE 33 N 3.17 0.00 -3.64 5.38 -1.74 0.14 -4.10 117.46 116.67 3dx6 n PHE 33 Ca 0.10 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.84 3dx6 n PHE 33 Cb 0.39 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.32 3dx6 n PHE 33 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 3dx6 s VAL 34 N -0.96 0.03 0.03 1.97 1.01 -1.20 -0.71 120.40 120.57 3dx6 s VAL 34 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.71 3dx6 s VAL 34 Cb 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 3dx6 s VAL 34 CO 0.00 -0.15 -0.04 -0.60 0.00 0.00 0.00 175.10 174.31 3dx6 s ARG 35 N -1.58 0.40 -0.06 2.72 3.52 -0.79 -1.27 118.95 121.89 3dx6 s ARG 35 Ca -0.10 -0.75 -0.04 0.00 -0.13 0.00 0.00 55.73 54.70 3dx6 s ARG 35 Cb -0.02 0.07 0.02 0.00 -1.56 0.00 0.00 34.95 33.46 3dx6 s ARG 35 CO 0.05 -0.05 0.15 0.12 -0.81 0.00 0.00 175.30 174.76 3dx6 s PHE 36 N -1.92 -0.18 -0.06 5.12 2.19 0.16 -0.90 117.98 122.40 3dx6 s PHE 36 Ca -0.11 0.45 -0.02 0.00 0.33 0.00 0.00 56.93 57.59 3dx6 s PHE 36 Cb -0.07 0.01 0.03 0.00 -1.31 0.00 0.00 43.02 41.68 3dx6 s PHE 36 CO -0.02 -0.12 0.04 0.34 1.83 0.00 0.00 175.22 177.29 3dx6 s ASP 37 N 0.52 1.36 0.64 6.13 -1.08 -1.26 -0.86 116.67 122.12 3dx6 s ASP 37 Ca -0.04 -0.02 0.41 0.00 -0.52 0.00 0.00 52.55 52.38 3dx6 s ASP 37 Cb -0.05 -0.25 2.20 0.00 -1.46 0.00 0.00 42.92 43.36 3dx6 s ASP 37 CO -0.02 -0.24 2.30 0.77 0.52 0.00 0.00 175.17 178.50 3dx6 h SER 38 N 8.40 0.00 -0.06 -0.34 4.64 -1.48 -1.59 113.55 123.12 3dx6 h SER 38 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3dx6 h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3dx6 h SER 38 CO 0.19 0.01 0.00 0.47 -0.87 0.00 0.00 176.83 176.63 3dx6 n ASP 39 N -3.21 1.26 -4.76 4.97 8.00 -1.26 -4.83 116.55 116.72 3dx6 n ASP 39 Ca -0.03 -1.49 -0.34 0.00 0.71 0.00 0.00 54.79 53.65 3dx6 n ASP 39 Cb 0.11 -0.03 0.05 0.00 -0.02 0.00 0.00 41.12 41.23 3dx6 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dx6 s ALA 40 N -1.94 2.42 0.24 2.24 0.00 -0.60 -4.93 121.76 119.20 3dx6 s ALA 40 Ca 0.37 0.66 -0.05 0.00 0.00 0.00 0.00 51.96 52.94 3dx6 s ALA 40 Cb 0.20 -3.36 0.36 0.00 0.00 0.00 0.00 23.12 20.32 3dx6 s ALA 40 CO 0.31 -1.35 1.84 1.15 0.00 0.00 0.00 175.76 177.71 3dx6 h THR 41 N 0.10 0.99 -2.48 0.00 2.02 -1.91 -3.29 112.91 108.35 3dx6 h THR 41 Ca -0.47 -0.31 -0.59 0.00 0.77 0.00 0.00 66.41 65.80 3dx6 h THR 41 Cb 1.26 0.01 -0.39 0.00 -1.74 0.00 0.00 68.15 67.29 3dx6 h THR 41 CO 0.53 0.17 -0.91 -0.44 0.37 0.00 0.00 175.52 175.24 3dx6 s SER 42 N -5.71 2.07 0.02 4.18 0.01 -1.26 -5.11 113.70 107.89 3dx6 s SER 42 Ca -0.12 -2.90 -0.34 0.00 1.31 0.00 0.00 55.95 53.90 3dx6 s SER 42 Cb 0.19 -0.52 -0.12 0.00 0.21 0.00 0.00 66.02 65.77 3dx6 s SER 42 CO 0.79 -0.20 1.76 -2.65 0.41 0.00 0.00 173.24 173.35 3dx6 n PRO 43 N 3.09 2.20 -3.70 12.44 -0.02 -1.24 -4.98 135.00 142.80 3dx6 n PRO 43 Ca 0.24 0.80 -0.10 0.00 -2.02 0.00 0.00 63.50 62.43 3dx6 n PRO 43 Cb 0.44 -2.62 -0.05 0.00 -0.02 0.00 0.00 33.50 31.24 3dx6 n PRO 43 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3dx6 s ARG 44 N 2.76 1.00 0.16 -0.52 1.04 -1.26 -5.04 118.95 117.10 3dx6 s ARG 44 Ca 0.87 -0.78 -0.31 0.00 -1.04 0.00 0.00 55.73 54.46 3dx6 s ARG 44 Cb -0.67 0.43 -0.09 0.00 -2.04 0.00 0.00 34.95 32.58 3dx6 s ARG 44 CO 0.45 -0.37 1.48 0.15 -0.04 0.00 0.00 175.30 176.97 3dx6 s LYS 45 N -3.82 4.27 -0.00 3.89 -0.14 -1.26 -4.51 119.74 118.16 3dx6 s LYS 45 Ca 0.04 2.24 0.06 0.00 -1.36 0.00 0.00 55.97 56.95 3dx6 s LYS 45 Cb 0.03 -3.18 -0.02 0.00 -1.68 0.00 0.00 37.83 32.98 3dx6 s LYS 45 CO -0.12 -0.51 -0.20 -1.21 -0.76 0.00 0.00 175.35 172.56 3dx6 s GLU 46 N 0.88 1.56 0.35 1.68 2.02 -0.08 -4.91 118.70 120.21 3dx6 s GLU 46 Ca 0.66 -0.76 -0.26 0.00 0.02 0.00 0.00 54.97 54.63 3dx6 s GLU 46 Cb -0.41 -1.54 -0.09 0.00 0.10 0.00 0.00 34.13 32.19 3dx6 s GLU 46 CO 0.33 0.42 1.09 -1.25 0.02 0.00 0.00 175.26 175.87 3dx6 s PRO 47 N -0.62 4.34 0.00 0.39 0.04 -1.26 -1.89 135.00 136.00 3dx6 s PRO 47 Ca 0.08 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.81 3dx6 s PRO 47 Cb -0.08 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.63 3dx6 s PRO 47 CO -0.00 -0.03 0.59 0.54 0.04 0.00 0.00 177.00 178.14 3dx6 n ARG 48 N 0.48 0.87 -4.05 4.56 5.12 0.11 -4.90 116.66 118.85 3dx6 n ARG 48 Ca 0.02 -0.76 -0.13 0.00 -1.93 0.00 0.00 57.85 55.05 3dx6 n ARG 48 Cb 0.47 -0.75 -0.12 0.00 -1.16 0.00 0.00 32.46 30.90 3dx6 n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3dx6 s ALA 49 N -0.34 0.42 0.35 7.54 0.00 -1.24 -4.66 121.76 123.83 3dx6 s ALA 49 Ca 0.00 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.42 3dx6 s ALA 49 Cb 0.00 0.03 0.64 0.00 0.00 0.00 0.00 23.12 23.79 3dx6 s ALA 49 CO 0.00 -0.02 1.96 -1.35 0.00 0.00 0.00 175.76 176.35 3dx6 h PRO 50 N 4.94 0.70 0.00 0.00 0.11 -1.95 -2.92 132.00 132.88 3dx6 h PRO 50 Ca -0.33 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3dx6 h PRO 50 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3dx6 h PRO 50 CO 0.43 0.54 0.00 -2.67 -0.21 0.00 0.00 178.00 176.10 3dx6 n TRP 51 N -4.38 0.69 0.64 0.65 4.27 -1.26 -2.06 117.44 115.99 3dx6 n TRP 51 Ca 0.04 0.27 0.12 0.00 -3.89 0.00 0.00 57.50 54.03 3dx6 n TRP 51 Cb 0.12 -0.93 0.13 0.00 -1.36 0.00 0.00 31.31 29.27 3dx6 n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 3dx6 n ILE 52 N -2.13 0.23 0.26 -1.67 0.13 -1.10 -4.21 119.36 110.87 3dx6 n ILE 52 Ca 0.03 -0.22 0.10 0.00 -1.10 0.00 0.00 62.75 61.56 3dx6 n ILE 52 Cb 0.24 0.06 0.71 0.00 -0.84 0.00 0.00 39.64 39.81 3dx6 n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3dx6 h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.51 -2.18 114.58 125.48 3dx6 h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dx6 h GLU 53 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3dx6 h GLU 53 CO 0.00 0.05 0.00 0.00 -1.00 0.00 0.00 179.01 178.06 3dx6 n GLN 54 N -4.16 0.20 -2.02 2.33 10.64 -1.26 -4.78 117.38 118.33 3dx6 n GLN 54 Ca -0.03 0.08 -0.41 0.00 -1.83 0.00 0.00 57.00 54.81 3dx6 n GLN 54 Cb 0.14 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 28.00 3dx6 n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 3dx6 s GLU 55 N -2.74 4.27 1.00 2.61 0.41 -0.82 -4.99 118.70 118.44 3dx6 s GLU 55 Ca 0.18 2.31 -0.14 0.00 -0.41 0.00 0.00 54.97 56.91 3dx6 s GLU 55 Cb 0.15 -3.08 0.19 0.00 -1.78 0.00 0.00 34.13 29.61 3dx6 s GLU 55 CO 0.38 -0.37 1.13 0.20 -0.49 0.00 0.00 175.26 176.11 3dx6 s GLY 56 N 0.09 1.59 0.46 -1.39 0.00 -1.26 -4.86 107.32 101.94 3dx6 s GLY 56 Ca 0.56 -0.62 0.19 0.00 0.00 0.00 0.00 44.72 44.85 3dx6 s GLY 56 CO 0.48 0.04 1.94 -0.56 0.00 0.00 0.00 173.10 174.99 3dx6 h PRO 57 N -1.85 0.29 -0.53 2.90 0.13 -1.97 -2.21 132.00 128.76 3dx6 h PRO 57 Ca -0.50 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.57 3dx6 h PRO 57 Cb 1.32 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 3dx6 h PRO 57 CO 0.54 0.19 0.19 0.93 -0.23 0.00 0.00 178.00 179.62 3dx6 h GLU 58 N 0.30 0.80 -0.30 0.86 3.07 -1.99 -0.78 114.58 116.54 3dx6 h GLU 58 Ca 0.34 -0.16 0.07 0.00 -0.50 0.00 0.00 59.36 59.11 3dx6 h GLU 58 Cb 0.92 -0.12 -0.07 0.00 -0.84 0.00 0.00 28.75 28.64 3dx6 h GLU 58 CO -0.09 0.71 -0.15 -0.92 -1.40 0.00 0.00 179.01 177.17 3dx6 h TYR 59 N 0.71 -0.37 -0.47 4.33 3.20 -1.75 -0.99 116.97 121.64 3dx6 h TYR 59 Ca 0.17 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.94 3dx6 h TYR 59 Cb 0.23 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 3dx6 h TYR 59 CO 0.01 -0.22 -0.24 -1.49 -1.64 0.00 0.00 178.16 174.57 3dx6 h TRP 60 N -0.11 1.14 -0.28 -3.82 4.06 -1.38 0.60 115.95 116.16 3dx6 h TRP 60 Ca 0.16 -0.29 -0.01 0.00 2.06 0.00 0.00 58.89 60.81 3dx6 h TRP 60 Cb 0.35 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.23 3dx6 h TRP 60 CO -0.35 1.12 0.14 -0.44 -3.56 0.00 0.00 178.44 175.35 3dx6 h ASP 61 N 0.84 0.36 -0.34 -3.49 3.32 -1.05 0.09 116.42 116.15 3dx6 h ASP 61 Ca 0.10 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 3dx6 h ASP 61 Cb 0.83 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 3dx6 h ASP 61 CO 0.07 0.38 0.02 -0.09 -1.72 0.00 0.00 179.24 177.91 3dx6 h ARG 62 N 0.32 0.59 -0.71 3.56 2.43 -1.04 -1.10 114.38 118.44 3dx6 h ARG 62 Ca 0.10 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 3dx6 h ARG 62 Cb 0.11 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3dx6 h ARG 62 CO -0.01 0.70 0.16 0.93 -1.51 0.00 0.00 179.97 180.24 3dx6 h GLU 63 N 0.41 1.13 -0.60 0.20 4.39 -0.85 -1.49 114.58 117.78 3dx6 h GLU 63 Ca 0.10 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.48 3dx6 h GLU 63 Cb 0.41 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 3dx6 h GLU 63 CO 0.01 1.00 0.19 1.15 -1.16 0.00 0.00 179.01 180.21 3dx6 h THR 64 N 1.07 1.24 -0.66 1.13 2.02 -0.88 -2.35 112.91 114.49 3dx6 h THR 64 Ca 0.22 -0.82 -0.06 0.00 0.77 0.00 0.00 66.41 66.52 3dx6 h THR 64 Cb 0.38 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 3dx6 h THR 64 CO 0.00 0.31 0.19 -0.61 0.37 0.00 0.00 175.52 175.79 3dx6 h GLN 65 N 0.85 1.03 -0.44 6.66 5.75 -0.89 0.10 115.11 128.18 3dx6 h GLN 65 Ca 0.19 -0.23 0.05 0.00 -0.15 0.00 0.00 58.65 58.52 3dx6 h GLN 65 Cb 0.28 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 28.64 3dx6 h GLN 65 CO -0.01 0.91 0.16 0.82 -2.65 0.00 0.00 178.83 178.06 3dx6 h ILE 66 N 0.96 0.87 -0.56 2.39 2.04 -1.16 0.26 117.51 122.31 3dx6 h ILE 66 Ca 0.21 -0.11 -0.10 0.00 1.00 0.00 0.00 64.86 65.86 3dx6 h ILE 66 Cb 0.31 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3dx6 h ILE 66 CO -0.00 0.06 -0.04 0.28 0.00 0.00 0.00 178.15 178.44 3dx6 h SER 67 N 0.33 0.98 -0.47 1.72 0.02 -0.90 0.38 113.55 115.62 3dx6 h SER 67 Ca 0.20 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 3dx6 h SER 67 Cb 0.19 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3dx6 h SER 67 CO -0.20 1.06 0.18 0.11 -1.14 0.00 0.00 176.83 176.84 3dx6 h LYS 68 N 0.91 0.70 -0.50 3.45 1.57 -0.44 -0.47 116.57 121.79 3dx6 h LYS 68 Ca 0.16 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3dx6 h LYS 68 Cb 0.58 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 3dx6 h LYS 68 CO 0.04 0.64 0.24 1.15 -0.57 0.00 0.00 179.45 180.94 3dx6 h THR 69 N 0.61 1.19 -0.59 -0.16 2.02 -0.80 -2.90 112.91 112.28 3dx6 h THR 69 Ca 0.16 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 3dx6 h THR 69 Cb 0.20 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 3dx6 h THR 69 CO -0.01 0.21 0.32 0.78 0.37 0.00 0.00 175.52 177.19 3dx6 h ASN 70 N 0.66 0.72 -0.71 4.18 2.35 -0.69 -0.72 115.58 121.37 3dx6 h ASN 70 Ca 0.17 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 3dx6 h ASN 70 Cb 0.12 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 3dx6 h ASN 70 CO -0.02 0.58 0.29 0.71 -1.65 0.00 0.00 177.43 177.34 3dx6 h THR 71 N 0.82 1.25 -0.30 2.81 1.35 -0.89 0.13 112.91 118.07 3dx6 h THR 71 Ca 0.21 -0.77 -0.08 0.00 -0.55 0.00 0.00 66.41 65.21 3dx6 h THR 71 Cb 0.02 0.37 -0.01 0.00 -1.73 0.00 0.00 68.15 66.81 3dx6 h THR 71 CO -0.03 0.31 -0.14 1.56 -0.25 0.00 0.00 175.52 176.97 3dx6 h GLN 72 N 1.06 0.63 -0.40 4.72 1.08 -1.33 -1.76 115.11 119.12 3dx6 h GLN 72 Ca 0.25 -0.27 0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3dx6 h GLN 72 Cb 0.20 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 3dx6 h GLN 72 CO -0.02 0.86 0.26 1.15 -0.95 0.00 0.00 178.83 180.12 3dx6 h THR 73 N 0.39 1.10 0.00 -0.54 2.02 -0.79 -1.51 112.91 113.57 3dx6 h THR 73 Ca 0.07 -0.18 -0.10 0.00 0.77 0.00 0.00 66.41 66.96 3dx6 h THR 73 Cb 0.66 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3dx6 h THR 73 CO 0.04 0.10 -0.49 1.88 0.37 0.00 0.00 175.52 177.42 3dx6 h TYR 74 N 0.53 0.00 -0.66 3.16 0.05 -0.74 -0.30 116.97 119.01 3dx6 h TYR 74 Ca 0.15 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.86 3dx6 h TYR 74 Cb -0.05 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.66 3dx6 h TYR 74 CO -0.05 0.49 0.16 0.00 -1.05 0.00 0.00 178.16 177.71 3dx6 h ARG 75 N 0.00 1.05 -0.62 4.88 3.08 -1.06 -0.73 114.38 120.99 3dx6 h ARG 75 Ca -0.00 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 3dx6 h ARG 75 Cb 1.22 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.10 3dx6 h ARG 75 CO 0.06 0.94 0.25 1.49 -1.07 0.00 0.00 179.97 181.65 3dx6 h GLU 76 N 0.98 0.92 -0.92 0.04 4.57 -0.92 -2.58 114.58 116.67 3dx6 h GLU 76 Ca 0.21 -0.16 0.03 0.00 -1.18 0.00 0.00 59.36 58.26 3dx6 h GLU 76 Cb 0.36 -0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 28.75 3dx6 h GLU 76 CO 0.00 0.77 0.60 -0.91 -1.18 0.00 0.00 179.01 178.30 3dx6 h ASN 77 N 0.86 0.99 -0.66 1.04 -0.26 -0.78 -0.36 115.58 116.41 3dx6 h ASN 77 Ca 0.21 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.91 3dx6 h ASN 77 Cb 0.19 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.19 3dx6 h ASN 77 CO -0.02 0.68 0.31 -0.07 -1.06 0.00 0.00 177.43 177.27 3dx6 h LEU 78 N 1.15 0.87 -0.60 1.61 3.38 -0.87 0.12 115.31 120.97 3dx6 h LEU 78 Ca 0.36 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 3dx6 h LEU 78 Cb 0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3dx6 h LEU 78 CO -0.11 0.77 0.14 0.03 0.09 0.00 0.00 178.44 179.36 3dx6 h ARG 79 N 0.92 0.96 -0.43 1.13 3.08 -0.97 -2.46 114.38 116.61 3dx6 h ARG 79 Ca 0.23 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 3dx6 h ARG 79 Cb 0.14 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3dx6 h ARG 79 CO -0.03 0.88 0.11 1.15 -1.07 0.00 0.00 179.97 181.02 3dx6 h THR 80 N 0.87 1.23 -0.95 2.04 2.02 -0.80 -2.85 112.91 114.47 3dx6 h THR 80 Ca 0.19 -0.79 0.05 0.00 0.77 0.00 0.00 66.41 66.62 3dx6 h THR 80 Cb 0.36 0.93 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 3dx6 h THR 80 CO 0.00 0.28 0.62 0.00 0.37 0.00 0.00 175.52 176.79 3dx6 h ALA 81 N 0.96 1.42 -0.76 6.16 0.00 -0.61 -0.61 119.26 125.82 3dx6 h ALA 81 Ca 0.14 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.09 3dx6 h ALA 81 Cb 0.31 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 3dx6 h ALA 81 CO 0.00 0.47 0.43 -0.07 0.00 0.00 0.00 179.25 180.08 3dx6 h LEU 82 N 1.16 0.63 0.16 0.00 3.38 -1.21 -1.95 115.31 117.48 3dx6 h LEU 82 Ca 0.39 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 3dx6 h LEU 82 Cb 0.07 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3dx6 h LEU 82 CO -0.13 0.38 -0.08 0.03 0.09 0.00 0.00 178.44 178.73 3dx6 h ARG 83 N 0.76 -0.21 -0.39 1.13 3.08 -1.12 0.11 114.38 117.75 3dx6 h ARG 83 Ca 0.36 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.50 3dx6 h ARG 83 Cb 0.28 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3dx6 h ARG 83 CO -0.22 0.05 0.27 1.88 -1.07 0.00 0.00 179.97 180.88 3dx6 h TYR 84 N -0.45 0.15 -0.53 3.04 -1.99 -0.90 -1.79 116.97 114.51 3dx6 h TYR 84 Ca -0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 3dx6 h TYR 84 Cb 0.35 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.03 3dx6 h TYR 84 CO 0.00 0.08 0.00 0.66 -0.00 0.00 0.00 178.16 178.90 3dx6 n TYR 85 N -4.46 0.76 -3.78 4.88 4.01 -0.75 -4.79 117.16 113.02 3dx6 n TYR 85 Ca 0.06 -0.52 -0.23 0.00 -0.16 0.00 0.00 57.90 57.05 3dx6 n TYR 85 Cb 0.36 -0.04 0.02 0.00 -0.31 0.00 0.00 39.34 39.37 3dx6 n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3dx6 n ASN 86 N 1.01 -1.48 -4.81 7.72 3.02 -0.67 -4.96 115.26 115.08 3dx6 n ASN 86 Ca 0.18 -0.85 -0.32 0.00 -0.03 0.00 0.00 54.58 53.56 3dx6 n ASN 86 Cb 0.55 -3.83 -0.06 0.00 -0.61 0.00 0.00 39.78 35.83 3dx6 n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3dx6 s GLN 87 N -6.18 3.09 0.72 3.52 -0.21 0.32 -5.04 119.66 115.88 3dx6 s GLN 87 Ca 0.10 -0.54 -0.15 0.00 0.02 0.00 0.00 55.36 54.78 3dx6 s GLN 87 Cb -0.05 -2.86 0.03 0.00 1.00 0.00 0.00 33.01 31.14 3dx6 s GLN 87 CO 0.83 0.61 1.20 0.45 -2.12 0.00 0.00 175.29 176.27 3dx6 s SER 88 N -2.13 4.28 0.00 5.90 0.15 -1.26 -4.72 113.70 115.92 3dx6 s SER 88 Ca 0.28 2.34 0.19 0.00 0.70 0.00 0.00 55.95 59.46 3dx6 s SER 88 Cb -0.12 -2.59 1.04 0.00 -1.71 0.00 0.00 66.02 62.64 3dx6 s SER 88 CO 0.20 -2.20 1.68 -0.62 1.20 0.00 0.00 173.24 173.50 3dx6 n GLU 89 N -2.65 1.17 0.09 5.44 1.02 -1.26 -4.07 120.64 120.38 3dx6 n GLU 89 Ca 0.13 -0.26 -0.14 0.00 -0.02 0.00 0.00 57.16 56.88 3dx6 n GLU 89 Cb 0.50 -1.32 -0.09 0.00 -0.02 0.00 0.00 31.44 30.51 3dx6 n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dx6 h ALA 90 N 3.70 0.25 -2.33 0.62 0.00 -2.00 -3.45 119.26 116.05 3dx6 h ALA 90 Ca 0.00 -0.80 -0.50 0.00 0.00 0.00 0.00 54.91 53.61 3dx6 h ALA 90 Cb 0.11 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.90 3dx6 h ALA 90 CO 0.00 0.91 -0.03 0.20 0.00 0.00 0.00 179.25 180.33 3dx6 s GLY 91 N -4.55 1.65 -0.00 0.00 0.00 -1.26 -4.66 107.32 98.50 3dx6 s GLY 91 Ca -0.04 -0.55 -0.21 0.00 0.00 0.00 0.00 44.72 43.91 3dx6 s GLY 91 CO 0.87 -0.43 0.61 -0.45 0.00 0.00 0.00 173.10 173.70 3dx6 s SER 92 N -3.63 6.99 0.14 1.64 0.15 -1.26 -4.64 113.70 113.09 3dx6 s SER 92 Ca 0.45 1.18 0.02 0.00 0.70 0.00 0.00 55.95 58.30 3dx6 s SER 92 Cb -0.10 -2.37 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 3dx6 s SER 92 CO 0.36 0.09 -0.03 -1.00 1.20 0.00 0.00 173.24 173.86 3dx6 s HIS 93 N -0.16 1.08 -0.03 3.44 3.76 -1.26 -4.96 115.29 117.16 3dx6 s HIS 93 Ca 0.32 -0.97 0.01 0.00 -0.15 0.00 0.00 55.06 54.27 3dx6 s HIS 93 Cb -0.18 -0.61 0.02 0.00 1.11 0.00 0.00 32.58 32.91 3dx6 s HIS 93 CO 0.18 -0.18 -0.05 0.42 -0.85 0.00 0.00 174.74 174.26 3dx6 s ILE 94 N -3.64 0.51 -0.08 0.60 1.01 -1.26 -1.17 121.20 117.17 3dx6 s ILE 94 Ca 0.19 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.70 3dx6 s ILE 94 Cb 0.06 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.98 3dx6 s ILE 94 CO 0.00 0.20 -0.09 -0.63 0.00 0.00 0.00 174.94 174.43 3dx6 s ILE 95 N 0.69 3.51 0.10 2.92 1.01 -0.27 -0.32 121.20 128.84 3dx6 s ILE 95 Ca -0.09 -0.54 0.09 0.00 0.00 0.00 0.00 60.65 60.11 3dx6 s ILE 95 Cb -0.12 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 3dx6 s ILE 95 CO 0.00 0.57 -0.22 -1.10 0.00 0.00 0.00 174.94 174.19 3dx6 s GLN 96 N -0.47 1.23 0.01 2.79 -0.21 -0.60 -0.71 119.66 121.69 3dx6 s GLN 96 Ca 0.07 -1.19 0.02 0.00 0.02 0.00 0.00 55.36 54.28 3dx6 s GLN 96 Cb -0.12 -1.53 -0.01 0.00 1.00 0.00 0.00 33.01 32.35 3dx6 s GLN 96 CO 0.02 0.36 -0.07 0.50 -2.12 0.00 0.00 175.29 173.98 3dx6 s ARG 97 N -1.87 0.57 -0.02 2.91 3.52 -0.57 -0.94 118.95 122.54 3dx6 s ARG 97 Ca 0.08 -0.37 0.01 0.00 -0.13 0.00 0.00 55.73 55.32 3dx6 s ARG 97 Cb -0.10 -0.51 0.01 0.00 -1.56 0.00 0.00 34.95 32.79 3dx6 s ARG 97 CO 0.04 0.13 -0.03 0.00 -0.81 0.00 0.00 175.30 174.64 3dx6 s MET 98 N -0.48 0.50 0.09 5.12 0.23 -0.11 -0.59 119.30 124.06 3dx6 s MET 98 Ca 0.00 -0.08 -0.12 0.00 -1.03 0.00 0.00 55.69 54.47 3dx6 s MET 98 Cb -0.04 -0.55 0.01 0.00 -1.53 0.00 0.00 34.83 32.72 3dx6 s MET 98 CO -0.00 -0.02 0.27 1.52 -2.03 0.00 0.00 175.02 174.76 3dx6 s TYR 99 N 0.54 0.00 -5.00 3.16 1.13 -0.77 -1.05 117.35 115.36 3dx6 s TYR 99 Ca -0.06 -0.35 0.00 0.00 -1.41 0.00 0.00 57.07 55.25 3dx6 s TYR 99 Cb -0.09 0.06 0.00 0.00 -1.10 0.00 0.00 41.96 40.83 3dx6 s TYR 99 CO -0.01 -0.58 0.00 0.41 -2.51 0.00 0.00 175.55 172.86 3dx6 n GLY 100 N 0.00 -0.76 2.99 5.49 0.00 -0.73 -1.00 105.19 111.17 3dx6 n GLY 100 Ca -0.16 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 3dx6 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dx6 s ASP 102 N -1.45 4.75 0.10 0.00 1.01 0.00 -1.13 116.67 119.96 3dx6 s ASP 102 Ca -0.15 0.00 0.06 0.00 0.71 0.00 0.00 52.55 53.17 3dx6 s ASP 102 Cb -0.10 -1.22 -0.03 0.00 1.01 0.00 0.00 42.92 42.58 3dx6 s ASP 102 CO -0.01 0.36 -0.15 0.68 0.21 0.00 0.00 175.17 176.26 3dx6 s VAL 103 N -0.83 1.28 0.65 -1.27 -7.23 0.49 0.07 120.40 113.56 3dx6 s VAL 103 Ca 0.13 -1.53 -0.07 0.00 -1.81 0.00 0.00 61.98 58.70 3dx6 s VAL 103 Cb -0.11 -1.34 0.14 0.00 0.56 0.00 0.00 36.38 35.63 3dx6 s VAL 103 CO 0.02 -0.29 0.89 0.61 -0.31 0.00 0.00 175.10 176.01 3dx6 n GLY 104 N 0.91 -0.55 0.38 2.32 0.00 -0.72 -0.96 105.19 106.58 3dx6 n GLY 104 Ca -0.18 -1.83 0.19 0.00 0.00 0.00 0.00 46.02 44.19 3dx6 n GLY 104 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dx6 h PRO 105 N 0.00 0.10 -0.01 1.61 0.11 -1.86 0.92 132.00 132.87 3dx6 h PRO 105 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3dx6 h PRO 105 Cb 0.89 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3dx6 h PRO 105 CO 0.24 0.07 -0.09 -0.40 -0.21 0.00 0.00 178.00 177.60 3dx6 n ASP 106 N -4.40 0.72 0.00 -2.05 5.75 -1.26 -4.94 116.55 110.36 3dx6 n ASP 106 Ca 0.10 -0.88 0.00 0.00 -0.01 0.00 0.00 54.79 54.00 3dx6 n ASP 106 Cb 0.57 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 3dx6 n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dx6 n GLY 107 N 1.23 0.70 3.85 6.12 0.00 0.32 -5.04 105.19 112.36 3dx6 n GLY 107 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3dx6 n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dx6 s ARG 108 N -0.06 3.98 0.09 1.61 0.52 -1.26 -4.73 118.95 119.10 3dx6 s ARG 108 Ca 0.00 0.83 -0.31 0.00 -0.52 0.00 0.00 55.73 55.73 3dx6 s ARG 108 Cb 0.00 -2.26 -0.10 0.00 0.52 0.00 0.00 34.95 33.11 3dx6 s ARG 108 CO 0.00 -0.09 1.87 -0.11 0.02 0.00 0.00 175.30 176.99 3dx6 n LEU 109 N -1.09 4.01 -0.07 2.53 7.94 -1.26 -1.75 117.00 127.31 3dx6 n LEU 109 Ca 0.05 0.97 -0.22 0.00 -1.11 0.00 0.00 56.01 55.70 3dx6 n LEU 109 Cb 0.54 -1.53 -0.12 0.00 0.53 0.00 0.00 43.42 42.84 3dx6 n LEU 109 CO 0.44 0.16 -0.58 -0.07 -1.11 0.00 0.00 177.39 176.22 3dx6 h LEU 110 N 9.04 0.13 -7.03 -1.96 3.38 -0.69 -3.46 115.31 114.71 3dx6 h LEU 110 Ca -0.47 -0.64 0.16 0.00 0.09 0.00 0.00 57.88 57.02 3dx6 h LEU 110 Cb 1.23 -0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.78 3dx6 h LEU 110 CO 0.94 1.59 0.60 0.00 0.09 0.00 0.00 178.44 181.66 3dx6 s ARG 111 N -2.42 0.66 0.25 1.13 1.70 -1.13 -5.00 118.95 114.15 3dx6 s ARG 111 Ca -0.27 -0.26 0.10 0.00 -0.47 0.00 0.00 55.73 54.84 3dx6 s ARG 111 Cb 0.06 0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 34.69 3dx6 s ARG 111 CO 0.65 -0.29 -0.06 0.20 -1.08 0.00 0.00 175.30 174.72 3dx6 s GLY 112 N -2.42 1.71 0.02 3.88 0.00 -1.26 -0.82 107.32 108.43 3dx6 s GLY 112 Ca 0.07 -1.66 0.01 0.00 0.00 0.00 0.00 44.72 43.14 3dx6 s GLY 112 CO -0.07 -1.72 -0.04 -0.19 0.00 0.00 0.00 173.10 171.09 3dx6 s TYR 113 N -2.23 0.33 -0.30 1.90 1.51 -0.08 -4.82 117.35 113.66 3dx6 s TYR 113 Ca 0.30 -0.32 -0.01 0.00 -1.01 0.00 0.00 57.07 56.03 3dx6 s TYR 113 Cb -0.07 -0.21 0.19 0.00 -0.11 0.00 0.00 41.96 41.76 3dx6 s TYR 113 CO 0.18 -0.09 0.65 0.34 -1.11 0.00 0.00 175.55 175.53 3dx6 s ASP 114 N -0.90 -1.33 0.01 2.29 -1.08 -1.26 -1.77 116.67 112.61 3dx6 s ASP 114 Ca -0.08 0.62 -0.04 0.00 -0.52 0.00 0.00 52.55 52.53 3dx6 s ASP 114 Cb -0.06 2.03 -0.01 0.00 -1.46 0.00 0.00 42.92 43.42 3dx6 s ASP 114 CO -0.00 -0.25 0.07 0.00 0.52 0.00 0.00 175.17 175.51 3dx6 s GLN 115 N 2.86 0.38 0.14 4.34 -2.07 -0.22 -0.15 119.66 124.95 3dx6 s GLN 115 Ca 0.16 -0.42 0.07 0.00 -1.82 0.00 0.00 55.36 53.36 3dx6 s GLN 115 Cb -0.13 0.15 -0.04 0.00 -1.09 0.00 0.00 33.01 31.91 3dx6 s GLN 115 CO -0.21 -0.08 -0.17 -0.51 -1.32 0.00 0.00 175.29 172.99 3dx6 s ASP 116 N -1.26 2.38 0.06 12.60 1.01 0.29 -0.93 116.67 130.83 3dx6 s ASP 116 Ca -0.14 -0.81 0.03 0.00 0.71 0.00 0.00 52.55 52.35 3dx6 s ASP 116 Cb -0.08 -0.12 -0.03 0.00 1.01 0.00 0.00 42.92 43.70 3dx6 s ASP 116 CO 0.00 -0.06 -0.09 0.00 0.21 0.00 0.00 175.17 175.23 3dx6 s ALA 117 N -1.90 0.82 -0.12 5.23 0.00 -0.12 -1.05 121.76 124.63 3dx6 s ALA 117 Ca 0.11 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.14 3dx6 s ALA 117 Cb -0.06 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.10 3dx6 s ALA 117 CO 0.05 -0.01 -0.16 -0.47 0.00 0.00 0.00 175.76 175.17 3dx6 s TYR 118 N -1.80 2.07 -1.61 0.00 5.04 -0.11 -1.56 117.35 119.39 3dx6 s TYR 118 Ca -0.03 -1.00 -0.14 0.00 -2.44 0.00 0.00 57.07 53.45 3dx6 s TYR 118 Cb -0.07 -1.49 0.11 0.00 0.35 0.00 0.00 41.96 40.87 3dx6 s TYR 118 CO 0.00 -0.51 0.78 -0.25 -1.34 0.00 0.00 175.55 174.22 3dx6 n ASP 119 N 4.24 -3.15 0.00 4.32 8.00 0.56 -1.81 116.55 128.71 3dx6 n ASP 119 Ca -0.19 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.36 3dx6 n ASP 119 Cb 0.51 -3.12 0.00 0.00 -0.02 0.00 0.00 41.12 38.49 3dx6 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dx6 n GLY 120 N -1.57 0.70 3.49 0.44 0.00 -1.26 -5.02 105.19 101.97 3dx6 n GLY 120 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3dx6 n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dx6 s LYS 121 N -0.02 2.67 0.12 1.61 1.02 -0.75 -5.09 119.74 119.31 3dx6 s LYS 121 Ca 0.00 -0.66 -0.34 0.00 0.02 0.00 0.00 55.97 54.99 3dx6 s LYS 121 Cb 0.00 -2.46 -0.17 0.00 -0.52 0.00 0.00 37.83 34.67 3dx6 s LYS 121 CO 0.00 0.59 1.07 -0.25 -0.92 0.00 0.00 175.35 175.83 3dx6 n ASP 122 N 2.43 0.66 0.01 2.83 9.92 -1.26 -0.94 116.55 130.19 3dx6 n ASP 122 Ca -0.17 1.14 -0.01 0.00 -0.53 0.00 0.00 54.79 55.21 3dx6 n ASP 122 Cb 0.52 -1.10 -0.00 0.00 -0.64 0.00 0.00 41.12 39.90 3dx6 n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3dx6 n TYR 123 N 1.39 0.00 -3.78 1.24 9.36 -0.21 -4.66 117.16 120.50 3dx6 n TYR 123 Ca 0.17 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.27 3dx6 n TYR 123 Cb 0.20 -0.07 -0.08 0.00 -0.63 0.00 0.00 39.34 38.75 3dx6 n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3dx6 s ILE 124 N -1.65 0.07 -0.09 2.97 2.07 -1.08 -0.77 121.20 122.73 3dx6 s ILE 124 Ca -0.04 -0.60 -0.07 0.00 -1.41 0.00 0.00 60.65 58.53 3dx6 s ILE 124 Cb 0.01 -0.70 0.03 0.00 0.13 0.00 0.00 42.46 41.92 3dx6 s ILE 124 CO 0.06 -0.33 0.23 0.00 -1.91 0.00 0.00 174.94 173.00 3dx6 s ALA 125 N -1.77 -0.56 0.05 1.50 0.00 -0.60 -0.55 121.76 119.84 3dx6 s ALA 125 Ca -0.11 0.75 -0.31 0.00 0.00 0.00 0.00 51.96 52.30 3dx6 s ALA 125 Cb -0.04 -0.45 -0.06 0.00 0.00 0.00 0.00 23.12 22.57 3dx6 s ALA 125 CO 0.01 -0.13 1.37 -1.17 0.00 0.00 0.00 175.76 175.84 3dx6 s LEU 126 N 0.45 4.34 0.82 0.00 2.96 0.79 -1.16 118.68 126.88 3dx6 s LEU 126 Ca -0.03 2.18 -0.11 0.00 -0.22 0.00 0.00 54.13 55.95 3dx6 s LEU 126 Cb -0.04 -3.57 0.08 0.00 0.50 0.00 0.00 46.19 43.16 3dx6 s LEU 126 CO -0.02 -0.66 1.09 0.20 -1.32 0.00 0.00 176.35 175.64 3dx6 s ASN 127 N 1.47 4.20 0.53 3.68 0.01 0.17 -4.54 114.94 120.47 3dx6 s ASN 127 Ca 0.63 1.50 0.19 0.00 -0.71 0.00 0.00 52.86 54.48 3dx6 s ASN 127 Cb -0.33 -2.22 1.38 0.00 0.41 0.00 0.00 41.25 40.48 3dx6 s ASN 127 CO 0.28 -2.18 2.15 -0.08 -1.51 0.00 0.00 177.10 175.76 3dx6 h GLU 128 N -1.23 0.00 0.00 -0.60 4.81 -1.88 0.20 114.58 115.88 3dx6 h GLU 128 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3dx6 h GLU 128 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3dx6 h GLU 128 CO 0.56 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.44 3dx6 n ASP 129 N -4.40 0.45 -2.37 1.04 5.68 -1.26 -4.77 116.55 110.92 3dx6 n ASP 129 Ca -0.02 0.69 -0.17 0.00 -0.50 0.00 0.00 54.79 54.80 3dx6 n ASP 129 Cb 0.15 -0.76 -0.01 0.00 -1.14 0.00 0.00 41.12 39.36 3dx6 n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3dx6 n LEU 130 N -2.08 -1.55 0.00 -2.12 4.77 0.70 -4.78 117.00 111.94 3dx6 n LEU 130 Ca -0.01 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3dx6 n LEU 130 Cb 0.06 -2.56 0.00 0.00 -2.33 0.00 0.00 43.42 38.59 3dx6 n LEU 130 CO 0.09 -0.21 -0.02 -1.20 -1.33 0.00 0.00 177.39 174.72 3dx6 n SER 131 N -1.86 0.19 -4.07 -1.43 7.64 -1.26 -4.40 113.62 108.42 3dx6 n SER 131 Ca -0.20 -0.02 -0.09 0.00 1.01 0.00 0.00 58.87 59.57 3dx6 n SER 131 Cb 0.65 0.08 -0.09 0.00 -1.01 0.00 0.00 64.21 63.83 3dx6 n SER 131 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3dx6 s SER 132 N -0.11 0.22 0.12 6.43 1.04 -1.26 -4.90 113.70 115.24 3dx6 s SER 132 Ca 0.00 -1.06 0.11 0.00 0.48 0.00 0.00 55.95 55.48 3dx6 s SER 132 Cb 0.00 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 3dx6 s SER 132 CO 0.00 -0.78 -0.27 0.26 0.98 0.00 0.00 173.24 173.44 3dx6 s TRP 133 N -4.01 2.31 -0.26 5.02 0.52 -1.26 -0.66 118.94 120.61 3dx6 s TRP 133 Ca 0.20 -0.38 -0.03 0.00 0.02 0.00 0.00 56.10 55.91 3dx6 s TRP 133 Cb 0.06 -1.27 0.02 0.00 -1.15 0.00 0.00 33.47 31.14 3dx6 s TRP 133 CO -0.00 0.32 -0.03 0.99 0.02 0.00 0.00 176.95 178.25 3dx6 s THR 134 N -1.03 3.16 -0.12 2.01 2.01 -0.31 -4.89 115.64 116.46 3dx6 s THR 134 Ca 0.14 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 61.10 3dx6 s THR 134 Cb -0.10 -2.61 -0.05 0.00 0.01 0.00 0.00 72.50 69.76 3dx6 s THR 134 CO 0.06 0.18 0.24 0.00 -0.69 0.00 0.00 174.62 174.40 3dx6 s ALA 135 N 1.37 3.73 -0.09 7.40 0.00 -1.26 -1.55 121.76 131.36 3dx6 s ALA 135 Ca 0.01 -0.51 0.19 0.00 0.00 0.00 0.00 51.96 51.64 3dx6 s ALA 135 Cb -0.17 -2.20 0.36 0.00 0.00 0.00 0.00 23.12 21.11 3dx6 s ALA 135 CO -0.03 0.37 1.58 0.00 0.00 0.00 0.00 175.76 177.68 3dx6 h ALA 136 N 5.67 0.82 -2.85 0.00 0.00 -1.22 -3.47 119.26 118.21 3dx6 h ALA 136 Ca -0.48 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.10 3dx6 h ALA 136 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3dx6 h ALA 136 CO 0.66 0.45 0.31 -0.40 0.00 0.00 0.00 179.25 180.28 3dx6 n ASP 137 N -3.27 -2.06 0.26 0.00 5.68 -1.26 -5.03 116.55 110.86 3dx6 n ASP 137 Ca 0.02 -2.38 0.15 0.00 -0.50 0.00 0.00 54.79 52.08 3dx6 n ASP 137 Cb 0.62 3.43 0.63 0.00 -1.14 0.00 0.00 41.12 44.65 3dx6 n ASP 137 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3dx6 h THR 138 N 1.93 0.14 0.32 2.12 1.35 -1.99 -1.24 112.91 115.53 3dx6 h THR 138 Ca -0.30 -0.66 -0.02 0.00 -0.55 0.00 0.00 66.41 64.88 3dx6 h THR 138 Cb 1.15 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 3dx6 h THR 138 CO 0.39 0.05 -0.15 0.00 -0.25 0.00 0.00 175.52 175.56 3dx6 h ALA 139 N 1.95 -0.43 -0.02 6.62 0.00 -1.96 -3.17 119.26 122.25 3dx6 h ALA 139 Ca -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3dx6 h ALA 139 Cb 0.57 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3dx6 h ALA 139 CO 0.01 -0.55 0.01 0.00 0.00 0.00 0.00 179.25 178.72 3dx6 h ALA 140 N -0.31 1.95 -0.17 0.00 0.00 -1.77 -1.22 119.26 117.74 3dx6 h ALA 140 Ca -0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3dx6 h ALA 140 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3dx6 h ALA 140 CO 0.07 -0.02 0.05 1.96 0.00 0.00 0.00 179.25 181.31 3dx6 h GLN 141 N 0.00 0.24 -0.28 0.00 4.20 -1.21 0.32 115.11 118.38 3dx6 h GLN 141 Ca 0.01 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 3dx6 h GLN 141 Cb 0.04 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3dx6 h GLN 141 CO -0.00 0.22 0.11 0.82 -0.67 0.00 0.00 178.83 179.31 3dx6 h ILE 142 N 0.24 1.18 -0.53 2.54 1.08 -1.20 -1.08 117.51 119.74 3dx6 h ILE 142 Ca 0.06 -0.55 0.02 0.00 -0.39 0.00 0.00 64.86 64.00 3dx6 h ILE 142 Cb 0.08 1.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.82 3dx6 h ILE 142 CO -0.00 0.19 0.34 0.74 -0.69 0.00 0.00 178.15 178.72 3dx6 h THR 143 N 0.30 1.09 -0.28 -0.27 2.02 -1.36 -2.32 112.91 112.09 3dx6 h THR 143 Ca 0.09 -0.23 0.05 0.00 0.77 0.00 0.00 66.41 67.09 3dx6 h THR 143 Cb 0.19 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 66.90 3dx6 h THR 143 CO -0.01 0.12 -0.06 -0.61 0.37 0.00 0.00 175.52 175.34 3dx6 h GLN 144 N 0.68 0.01 -0.71 6.66 4.15 -0.75 0.00 115.11 125.16 3dx6 h GLN 144 Ca 0.21 -0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.71 3dx6 h GLN 144 Cb -0.03 -0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.59 3dx6 h GLN 144 CO -0.07 0.01 0.37 0.00 -1.93 0.00 0.00 178.83 177.21 3dx6 h ARG 145 N 0.01 0.63 -0.49 1.69 3.08 -0.99 0.16 114.38 118.47 3dx6 h ARG 145 Ca 0.13 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3dx6 h ARG 145 Cb 0.20 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3dx6 h ARG 145 CO -0.28 0.41 0.22 0.87 -1.07 0.00 0.00 179.97 180.12 3dx6 h LYS 146 N 0.64 0.71 -0.03 0.04 1.57 -0.77 -1.45 116.57 117.27 3dx6 h LYS 146 Ca 0.34 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.87 3dx6 h LYS 146 Cb 0.31 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3dx6 h LYS 146 CO -0.24 0.61 -0.61 -1.49 -0.57 0.00 0.00 179.45 177.15 3dx6 h TRP 147 N 0.64 0.15 -0.14 -1.35 4.06 -0.59 -1.69 115.95 117.03 3dx6 h TRP 147 Ca 0.16 -0.06 -0.02 0.00 2.06 0.00 0.00 58.89 61.04 3dx6 h TRP 147 Cb 0.15 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 3dx6 h TRP 147 CO -0.00 0.70 0.01 0.93 -3.56 0.00 0.00 178.44 176.52 3dx6 h GLU 148 N 0.09 0.24 -0.97 0.49 5.08 -0.58 -1.26 114.58 117.66 3dx6 h GLU 148 Ca -0.01 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.35 3dx6 h GLU 148 Cb 1.10 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.26 3dx6 h GLU 148 CO 0.09 0.44 0.62 0.00 -1.00 0.00 0.00 179.01 179.16 3dx6 h ALA 149 N 0.79 1.35 -0.31 3.43 0.00 -1.06 -2.27 119.26 121.18 3dx6 h ALA 149 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dx6 h ALA 149 Cb 0.33 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3dx6 h ALA 149 CO 0.00 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.66 3dx6 n ALA 150 N -2.36 2.46 -3.91 0.00 0.00 -0.65 -4.96 120.51 111.10 3dx6 n ALA 150 Ca 0.15 -0.76 -0.25 0.00 0.00 0.00 0.00 53.44 52.59 3dx6 n ALA 150 Cb 0.18 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 3dx6 n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dx6 n ARG 151 N 0.85 -3.55 -0.15 0.00 1.74 -0.58 -4.88 116.66 110.09 3dx6 n ARG 151 Ca 0.17 0.44 -0.09 0.00 -0.77 0.00 0.00 57.85 57.60 3dx6 n ARG 151 Cb 0.44 -4.63 0.05 0.00 -1.02 0.00 0.00 32.46 27.30 3dx6 n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3dx6 h VAL 152 N -1.84 1.27 -0.99 1.55 2.07 -1.56 -3.19 116.25 113.56 3dx6 h VAL 152 Ca -0.63 -1.29 0.06 0.00 0.82 0.00 0.00 66.70 65.65 3dx6 h VAL 152 Cb 1.37 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 32.14 3dx6 h VAL 152 CO 0.61 0.45 0.64 0.00 0.02 0.00 0.00 177.57 179.29 3dx6 h ALA 153 N 0.99 1.36 -0.19 1.67 0.00 -1.90 0.47 119.26 121.66 3dx6 h ALA 153 Ca 0.12 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3dx6 h ALA 153 Cb 0.70 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3dx6 h ALA 153 CO 0.05 0.46 -0.32 0.93 0.00 0.00 0.00 179.25 180.38 3dx6 h GLU 154 N 1.19 0.38 -0.42 0.00 5.08 -1.77 0.32 114.58 119.36 3dx6 h GLU 154 Ca 0.42 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.49 3dx6 h GLU 154 Cb 0.12 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3dx6 h GLU 154 CO -0.16 0.66 -0.26 1.96 -1.00 0.00 0.00 179.01 180.21 3dx6 h GLN 155 N 0.33 0.92 -0.43 2.33 4.20 -1.31 -1.91 115.11 119.23 3dx6 h GLN 155 Ca 0.04 -0.43 -0.04 0.00 0.06 0.00 0.00 58.65 58.29 3dx6 h GLN 155 Cb 0.72 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 3dx6 h GLN 155 CO 0.06 1.08 0.12 0.22 -0.67 0.00 0.00 178.83 179.64 3dx6 h ASP 156 N 0.74 0.63 -0.53 1.46 1.82 -0.49 -2.24 116.42 117.83 3dx6 h ASP 156 Ca 0.09 -0.22 0.07 0.00 -0.39 0.00 0.00 57.03 56.58 3dx6 h ASP 156 Cb 0.84 -0.17 -0.06 0.00 0.68 0.00 0.00 39.33 40.63 3dx6 h ASP 156 CO 0.07 0.68 0.21 -0.09 -1.61 0.00 0.00 179.24 178.51 3dx6 h ARG 157 N 0.55 0.40 -0.53 0.28 2.43 -0.30 0.12 114.38 117.34 3dx6 h ARG 157 Ca 0.14 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3dx6 h ARG 157 Cb 0.29 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 3dx6 h ARG 157 CO -0.00 0.26 0.32 0.00 -1.51 0.00 0.00 179.97 179.05 3dx6 h ALA 158 N 1.33 0.67 0.22 2.80 0.00 -1.14 -0.90 119.26 122.24 3dx6 h ALA 158 Ca 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3dx6 h ALA 158 Cb 0.24 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3dx6 h ALA 158 CO -0.23 0.15 -0.11 -0.92 0.00 0.00 0.00 179.25 178.14 3dx6 h TYR 159 N 0.71 -0.27 -0.92 0.00 3.20 -1.03 -1.54 116.97 117.13 3dx6 h TYR 159 Ca 0.19 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3dx6 h TYR 159 Cb -0.03 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 3dx6 h TYR 159 CO -0.03 -0.12 0.58 -0.07 -1.64 0.00 0.00 178.16 176.88 3dx6 h LEU 160 N -0.36 1.08 0.00 2.82 3.38 -0.49 -1.35 115.31 120.39 3dx6 h LEU 160 Ca -0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3dx6 h LEU 160 Cb 0.27 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3dx6 h LEU 160 CO 0.05 0.81 -0.25 -0.33 0.09 0.00 0.00 178.44 178.80 3dx6 h GLU 161 N 1.25 0.00 0.00 1.13 5.08 -1.15 -3.32 114.58 117.58 3dx6 h GLU 161 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3dx6 h GLU 161 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3dx6 h GLU 161 CO -0.07 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.35 3dx6 n GLY 162 N 1.28 0.53 0.36 -3.84 0.00 -0.58 -4.73 105.19 98.21 3dx6 n GLY 162 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 3dx6 n GLY 162 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dx6 h LEU 163 N 0.00 0.74 0.46 0.99 5.85 -1.64 -0.77 115.31 120.94 3dx6 h LEU 163 Ca 0.00 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3dx6 h LEU 163 Cb 0.00 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.90 3dx6 h LEU 163 CO 0.00 0.44 -0.24 0.00 -0.34 0.00 0.00 178.44 178.29 3dx6 h VAL 165 N -0.65 1.31 -0.19 0.00 -1.51 -1.56 -2.03 116.25 111.61 3dx6 h VAL 165 Ca -0.06 -1.65 -0.03 0.00 -1.23 0.00 0.00 66.70 63.73 3dx6 h VAL 165 Cb 0.51 1.63 -0.01 0.00 -2.13 0.00 0.00 31.29 31.30 3dx6 h VAL 165 CO 0.09 0.51 -0.00 -0.33 -1.23 0.00 0.00 177.57 176.61 3dx6 h GLU 166 N 0.44 0.34 -0.42 5.19 5.08 -1.04 -0.72 114.58 123.45 3dx6 h GLU 166 Ca 0.03 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 3dx6 h GLU 166 Cb 0.96 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 3dx6 h GLU 166 CO 0.09 0.54 0.01 0.66 -1.00 0.00 0.00 179.01 179.31 3dx6 h SER 167 N 0.09 0.72 -0.54 1.42 4.64 -0.91 -2.24 113.55 116.73 3dx6 h SER 167 Ca 0.05 -0.30 0.03 0.00 -0.47 0.00 0.00 61.79 61.10 3dx6 h SER 167 Cb 0.39 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 3dx6 h SER 167 CO 0.01 0.84 0.32 0.25 -0.87 0.00 0.00 176.83 177.38 3dx6 h LEU 168 N 0.57 0.51 -0.61 5.97 5.85 -1.32 0.11 115.31 126.39 3dx6 h LEU 168 Ca 0.12 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.94 3dx6 h LEU 168 Cb 0.47 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 3dx6 h LEU 168 CO 0.02 0.36 0.22 0.03 -0.34 0.00 0.00 178.44 178.72 3dx6 h ARG 169 N 0.63 0.38 -0.31 1.25 3.08 -1.00 -0.30 114.38 118.12 3dx6 h ARG 169 Ca 0.22 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 3dx6 h ARG 169 Cb 0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3dx6 h ARG 169 CO -0.10 0.25 0.10 -0.09 -1.07 0.00 0.00 179.97 179.07 3dx6 h ARG 170 N 0.39 0.47 -1.00 0.04 2.43 -0.77 -2.47 114.38 113.47 3dx6 h ARG 170 Ca 0.31 -0.10 0.04 0.00 -0.81 0.00 0.00 59.98 59.42 3dx6 h ARG 170 Cb 0.39 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.81 3dx6 h ARG 170 CO -0.31 0.51 0.66 1.88 -1.51 0.00 0.00 179.97 181.19 3dx6 h TYR 171 N 0.34 1.23 -0.51 2.20 0.05 -0.52 -0.13 116.97 119.63 3dx6 h TYR 171 Ca 0.10 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.83 3dx6 h TYR 171 Cb 0.23 -0.41 -0.02 0.00 1.01 0.00 0.00 36.73 37.54 3dx6 h TYR 171 CO 0.00 0.70 -0.02 -0.07 -1.05 0.00 0.00 178.16 177.72 3dx6 h LEU 172 N 1.26 0.85 0.03 3.88 3.38 -0.87 0.30 115.31 124.15 3dx6 h LEU 172 Ca 0.40 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3dx6 h LEU 172 Cb 0.02 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3dx6 h LEU 172 CO -0.13 0.92 -0.02 -0.08 0.09 0.00 0.00 178.44 179.22 3dx6 h GLU 173 N 0.81 -0.04 -0.70 1.13 4.57 -1.05 -1.34 114.58 117.96 3dx6 h GLU 173 Ca 0.15 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.34 3dx6 h GLU 173 Cb 0.51 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.07 3dx6 h GLU 173 CO 0.03 0.48 0.46 -0.91 -1.18 0.00 0.00 179.01 177.88 3dx6 h ASN 174 N -0.59 0.79 -0.65 1.04 2.35 -0.92 -2.71 115.58 114.89 3dx6 h ASN 174 Ca -0.00 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 3dx6 h ASN 174 Cb 0.54 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.67 3dx6 h ASN 174 CO 0.01 0.56 0.11 0.61 -1.65 0.00 0.00 177.43 177.07 3dx6 n GLY 175 N -1.43 3.25 0.31 2.83 0.00 0.10 -4.71 105.19 105.54 3dx6 n GLY 175 Ca 0.08 -0.96 0.16 0.00 0.00 0.00 0.00 46.02 45.30 3dx6 n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3dx6 h LYS 176 N 3.52 0.00 -0.19 1.61 2.10 -0.90 0.62 116.57 123.34 3dx6 h LYS 176 Ca 0.11 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.72 3dx6 h LYS 176 Cb 2.15 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.47 3dx6 h LYS 176 CO 0.60 0.00 -0.07 0.93 -2.00 0.00 0.00 179.45 178.91 3dx6 h GLU 177 N 0.00 0.28 0.00 0.07 5.08 -1.86 -3.23 114.58 114.93 3dx6 h GLU 177 Ca 0.01 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.16 3dx6 h GLU 177 Cb 0.09 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3dx6 h GLU 177 CO -0.00 0.37 -1.48 0.25 -1.00 0.00 0.00 179.01 177.15 3dx6 n THR 178 N -4.31 0.68 0.24 1.13 -2.24 -0.43 -4.35 114.28 105.00 3dx6 n THR 178 Ca -0.00 -0.10 0.08 0.00 -2.27 0.00 0.00 64.05 61.76 3dx6 n THR 178 Cb 0.23 -1.67 0.61 0.00 -2.10 0.00 0.00 70.33 67.40 3dx6 n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3dx6 h LEU 179 N -0.39 0.00 -3.40 3.22 3.38 -1.12 -2.30 115.31 114.70 3dx6 h LEU 179 Ca -0.25 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 3dx6 h LEU 179 Cb 1.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 3dx6 h LEU 179 CO -0.15 0.13 0.03 0.00 0.09 0.00 0.00 178.44 178.54 3dx6 n GLN 180 N -4.15 3.32 -4.39 1.13 6.02 -1.22 -4.89 117.38 113.20 3dx6 n GLN 180 Ca -0.02 -2.98 -0.33 0.00 -0.01 0.00 0.00 57.00 53.66 3dx6 n GLN 180 Cb 0.21 -1.98 -0.16 0.00 1.02 0.00 0.00 30.24 29.33 3dx6 n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3dx6 s ARG 181 N -2.89 3.13 -0.14 -1.09 3.52 -0.87 -4.99 118.95 115.62 3dx6 s ARG 181 Ca 0.47 -0.78 -0.12 0.00 -0.13 0.00 0.00 55.73 55.16 3dx6 s ARG 181 Cb 0.38 -2.60 -0.05 0.00 -1.56 0.00 0.00 34.95 31.12 3dx6 s ARG 181 CO 0.10 -0.07 0.25 0.00 -0.81 0.00 0.00 175.30 174.77 3dx6 s ALA 182 N 1.01 3.67 -0.30 6.12 0.00 -1.26 -4.78 121.76 126.22 3dx6 s ALA 182 Ca -0.02 -0.50 -0.10 0.00 0.00 0.00 0.00 51.96 51.34 3dx6 s ALA 182 Cb -0.15 -2.28 -0.01 0.00 0.00 0.00 0.00 23.12 20.68 3dx6 s ALA 182 CO -0.04 0.24 0.15 -0.51 0.00 0.00 0.00 175.76 175.59 3dx6 s ASP 183 N 0.02 5.56 0.67 0.00 1.01 0.11 -4.83 116.67 119.22 3dx6 s ASP 183 Ca 0.15 -0.45 -0.13 0.00 0.71 0.00 0.00 52.55 52.83 3dx6 s ASP 183 Cb -0.13 -2.01 0.00 0.00 1.01 0.00 0.00 42.92 41.80 3dx6 s ASP 183 CO 0.04 -0.17 1.08 -2.16 0.21 0.00 0.00 175.17 174.17 3dx6 s PRO 184 N 1.63 2.86 0.30 8.23 0.04 -1.26 -1.25 135.00 145.54 3dx6 s PRO 184 Ca 0.05 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 62.00 3dx6 s PRO 184 Cb -0.17 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 3dx6 s PRO 184 CO 0.06 -1.18 1.32 -1.25 0.04 0.00 0.00 177.00 175.99 3dx6 s PRO 185 N -4.45 4.36 -0.21 0.56 0.04 -1.26 -4.34 135.00 129.70 3dx6 s PRO 185 Ca 0.63 2.18 -0.24 0.00 0.04 0.00 0.00 61.00 63.61 3dx6 s PRO 185 Cb -0.17 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 3dx6 s PRO 185 CO 0.46 -0.21 0.78 0.15 0.04 0.00 0.00 177.00 178.22 3dx6 s LYS 186 N -1.30 4.22 0.06 4.56 1.02 0.35 -4.86 119.74 123.80 3dx6 s LYS 186 Ca 0.51 0.88 0.09 0.00 0.02 0.00 0.00 55.97 57.48 3dx6 s LYS 186 Cb -0.39 -3.61 -0.03 0.00 -0.52 0.00 0.00 37.83 33.28 3dx6 s LYS 186 CO 0.48 -0.40 -0.25 0.95 -0.92 0.00 0.00 175.35 175.21 3dx6 s THR 187 N 2.44 2.28 0.12 2.17 -4.23 -1.26 -1.04 115.64 116.13 3dx6 s THR 187 Ca 0.34 -1.43 -0.25 0.00 -1.18 0.00 0.00 61.69 59.18 3dx6 s THR 187 Cb -0.16 -1.93 0.07 0.00 1.34 0.00 0.00 72.50 71.83 3dx6 s THR 187 CO 0.09 0.31 0.62 -1.38 -0.54 0.00 0.00 174.62 173.72 3dx6 s HIS 188 N -0.88 -0.56 -0.18 3.99 -3.43 -1.11 -4.99 115.29 108.12 3dx6 s HIS 188 Ca 0.13 0.50 -0.01 0.00 -0.80 0.00 0.00 55.06 54.87 3dx6 s HIS 188 Cb -0.10 0.53 -0.01 0.00 -1.43 0.00 0.00 32.58 31.57 3dx6 s HIS 188 CO 0.03 -0.80 -0.11 0.08 -2.00 0.00 0.00 174.74 171.95 3dx6 s VAL 189 N -3.22 2.98 0.24 -5.38 1.01 -1.26 -0.48 120.40 114.29 3dx6 s VAL 189 Ca -0.01 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.36 3dx6 s VAL 189 Cb -0.01 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 3dx6 s VAL 189 CO -0.08 0.48 0.37 0.42 0.00 0.00 0.00 175.10 176.29 3dx6 s THR 190 N 1.01 5.25 -0.10 3.92 -4.23 -0.17 -4.69 115.64 116.63 3dx6 s THR 190 Ca -0.01 -0.90 0.01 0.00 -1.18 0.00 0.00 61.69 59.60 3dx6 s THR 190 Cb -0.15 -3.85 0.02 0.00 1.34 0.00 0.00 72.50 69.87 3dx6 s THR 190 CO -0.02 -0.33 -0.09 -2.28 -0.54 0.00 0.00 174.62 171.36 3dx6 s HIS 191 N -1.99 1.47 -0.23 3.99 2.46 -1.26 -1.75 115.29 117.98 3dx6 s HIS 191 Ca 0.35 -0.67 -0.04 0.00 0.47 0.00 0.00 55.06 55.17 3dx6 s HIS 191 Cb -0.09 -1.17 0.08 0.00 -0.13 0.00 0.00 32.58 31.26 3dx6 s HIS 191 CO 0.30 -0.43 0.09 -1.01 -2.47 0.00 0.00 174.74 171.22 3dx6 s HIS 192 N 1.32 0.68 0.09 3.88 3.76 -0.10 -4.99 115.29 119.92 3dx6 s HIS 192 Ca -0.02 -0.83 -0.34 0.00 -0.15 0.00 0.00 55.06 53.72 3dx6 s HIS 192 Cb -0.14 -0.99 -0.13 0.00 1.11 0.00 0.00 32.58 32.43 3dx6 s HIS 192 CO -0.04 -0.68 1.66 -2.30 -0.85 0.00 0.00 174.74 172.53 3dx6 n PRO 193 N 5.14 2.14 -0.10 8.40 -0.02 -1.26 -0.41 135.00 148.89 3dx6 n PRO 193 Ca -0.07 0.77 -0.19 0.00 -2.02 0.00 0.00 63.50 62.00 3dx6 n PRO 193 Cb 0.45 -2.56 -0.11 0.00 -0.02 0.00 0.00 33.50 31.26 3dx6 n PRO 193 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3dx6 h ILE 194 N 4.14 1.04 -2.20 4.25 2.04 -1.07 -3.47 117.51 122.25 3dx6 h ILE 194 Ca -0.46 -2.14 -0.03 0.00 1.00 0.00 0.00 64.86 63.23 3dx6 h ILE 194 Cb 1.26 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 39.66 3dx6 h ILE 194 CO 0.90 0.35 -0.02 -1.54 0.00 0.00 0.00 178.15 177.85 3dx6 n SER 195 N -4.48 -0.12 -0.31 1.72 3.41 -1.08 -4.99 113.62 107.77 3dx6 n SER 195 Ca -0.26 -1.18 0.07 0.00 -0.26 0.00 0.00 58.87 57.23 3dx6 n SER 195 Cb 0.61 0.23 0.22 0.00 -0.26 0.00 0.00 64.21 65.01 3dx6 n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3dx6 h ASP 196 N 0.18 0.64 -0.08 4.04 3.32 -2.04 -3.15 116.42 119.33 3dx6 h ASP 196 Ca -0.02 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3dx6 h ASP 196 Cb 0.11 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3dx6 h ASP 196 CO 0.03 0.30 0.00 0.00 -1.72 0.00 0.00 179.24 177.85 3dx6 n HIS 197 N -4.80 0.14 -4.64 4.55 1.44 -1.26 -4.80 115.22 105.85 3dx6 n HIS 197 Ca 0.17 -0.59 -0.23 0.00 -2.01 0.00 0.00 57.72 55.06 3dx6 n HIS 197 Cb 0.40 -0.07 -0.16 0.00 0.12 0.00 0.00 29.99 30.28 3dx6 n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3dx6 s GLU 198 N -1.34 1.38 -0.02 -1.40 2.02 -1.19 -1.68 118.70 116.46 3dx6 s GLU 198 Ca 0.11 -0.48 0.02 0.00 0.02 0.00 0.00 54.97 54.64 3dx6 s GLU 198 Cb 0.08 -1.25 0.00 0.00 0.10 0.00 0.00 34.13 33.07 3dx6 s GLU 198 CO 0.04 0.21 -0.08 0.08 0.02 0.00 0.00 175.26 175.52 3dx6 s VAL 199 N 0.04 0.72 -0.23 2.63 1.01 0.11 -0.40 120.40 124.29 3dx6 s VAL 199 Ca -0.02 -0.33 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 3dx6 s VAL 199 Cb -0.09 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 3dx6 s VAL 199 CO 0.01 0.23 0.59 -0.89 0.00 0.00 0.00 175.10 175.03 3dx6 s THR 200 N 0.20 5.04 -0.25 3.92 2.01 0.45 0.03 115.64 127.04 3dx6 s THR 200 Ca -0.03 1.06 -0.10 0.00 0.31 0.00 0.00 61.69 62.94 3dx6 s THR 200 Cb -0.08 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 3dx6 s THR 200 CO 0.00 0.09 0.15 -0.76 -0.69 0.00 0.00 174.62 173.42 3dx6 s LEU 201 N 2.11 3.96 -0.16 4.42 1.43 -0.25 -0.92 118.68 129.27 3dx6 s LEU 201 Ca 0.26 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 3dx6 s LEU 201 Cb -0.16 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.00 3dx6 s LEU 201 CO 0.09 0.03 -0.19 -0.60 0.23 0.00 0.00 176.35 175.91 3dx6 s ARG 202 N 1.28 3.07 -0.27 1.70 3.52 -0.72 -1.30 118.95 126.24 3dx6 s ARG 202 Ca 0.07 -0.81 -0.14 0.00 -0.13 0.00 0.00 55.73 54.71 3dx6 s ARG 202 Cb -0.14 -2.55 -0.04 0.00 -1.56 0.00 0.00 34.95 30.66 3dx6 s ARG 202 CO 0.06 -0.08 0.33 0.00 -0.81 0.00 0.00 175.30 174.80 3dx6 s TRP 204 N 1.92 3.29 -0.11 0.00 0.52 0.37 -1.51 118.94 123.41 3dx6 s TRP 204 Ca 0.13 0.26 -0.00 0.00 0.02 0.00 0.00 56.10 56.52 3dx6 s TRP 204 Cb -0.16 -1.80 0.02 0.00 -1.15 0.00 0.00 33.47 30.39 3dx6 s TRP 204 CO 0.10 0.55 -0.09 0.00 0.02 0.00 0.00 176.95 177.53 3dx6 s ALA 205 N -1.01 1.37 0.10 0.98 0.00 0.12 -2.77 121.76 120.54 3dx6 s ALA 205 Ca 0.17 -0.57 0.06 0.00 0.00 0.00 0.00 51.96 51.62 3dx6 s ALA 205 Cb -0.12 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 3dx6 s ALA 205 CO 0.06 -0.36 -0.16 -0.51 0.00 0.00 0.00 175.76 174.79 3dx6 s LEU 206 N 1.59 2.33 -0.86 0.00 1.43 -0.20 -1.36 118.68 121.61 3dx6 s LEU 206 Ca 0.03 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 3dx6 s LEU 206 Cb -0.13 -0.62 0.00 0.00 0.03 0.00 0.00 46.19 45.47 3dx6 s LEU 206 CO -0.07 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.05 3dx6 n GLY 207 N 0.96 0.62 3.92 -3.19 0.00 -0.97 -0.49 105.19 106.04 3dx6 n GLY 207 Ca -0.19 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 3dx6 n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dx6 s PHE 208 N -2.37 3.46 -0.19 1.61 -0.71 -1.07 -4.66 117.98 114.04 3dx6 s PHE 208 Ca 0.00 0.13 -0.13 0.00 -1.04 0.00 0.00 56.93 55.89 3dx6 s PHE 208 Cb 0.00 -1.67 0.06 0.00 -1.21 0.00 0.00 43.02 40.19 3dx6 s PHE 208 CO 0.00 0.53 0.49 -0.47 -1.34 0.00 0.00 175.22 174.43 3dx6 s TYR 209 N -1.68 -0.65 1.07 3.49 6.14 -0.38 -0.31 117.35 125.03 3dx6 s TYR 209 Ca 0.34 1.43 -0.18 0.00 0.64 0.00 0.00 57.07 59.30 3dx6 s TYR 209 Cb -0.11 0.29 0.26 0.00 0.42 0.00 0.00 41.96 42.82 3dx6 s TYR 209 CO 0.28 -0.34 1.06 -0.35 0.64 0.00 0.00 175.55 176.84 3dx6 n PRO 210 N 3.69 -2.51 0.16 4.97 -0.04 -1.26 0.09 135.00 140.11 3dx6 n PRO 210 Ca -0.19 -1.68 0.01 0.00 -0.04 0.00 0.00 63.50 61.60 3dx6 n PRO 210 Cb 0.56 -1.44 0.26 0.00 -0.04 0.00 0.00 33.50 32.85 3dx6 n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dx6 h ALA 211 N -2.45 1.15 -2.62 0.55 0.00 -1.94 -3.45 119.26 110.49 3dx6 h ALA 211 Ca -0.38 -0.45 -0.52 0.00 0.00 0.00 0.00 54.91 53.55 3dx6 h ALA 211 Cb 1.14 -0.08 0.05 0.00 0.00 0.00 0.00 17.79 18.90 3dx6 h ALA 211 CO 0.26 0.62 1.03 -1.21 0.00 0.00 0.00 179.25 179.95 3dx6 s GLU 212 N -3.85 4.13 0.05 0.00 0.41 -1.26 -4.96 118.70 113.22 3dx6 s GLU 212 Ca -0.02 2.59 -0.25 0.00 -0.41 0.00 0.00 54.97 56.89 3dx6 s GLU 212 Cb 0.13 -3.20 0.06 0.00 -1.78 0.00 0.00 34.13 29.34 3dx6 s GLU 212 CO 0.74 -0.77 0.58 -1.50 -0.49 0.00 0.00 175.26 173.82 3dx6 s ILE 213 N 1.56 0.01 -0.11 -1.63 2.07 -1.26 -4.65 121.20 117.19 3dx6 s ILE 213 Ca 0.76 -0.11 0.02 0.00 -1.41 0.00 0.00 60.65 59.90 3dx6 s ILE 213 Cb -0.49 -0.99 0.02 0.00 0.13 0.00 0.00 42.46 41.13 3dx6 s ILE 213 CO 0.33 -0.06 -0.15 -0.89 -1.91 0.00 0.00 174.94 172.26 3dx6 s THR 214 N -2.51 1.50 -0.12 4.00 2.01 -0.58 -5.00 115.64 114.94 3dx6 s THR 214 Ca -0.05 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.33 3dx6 s THR 214 Cb -0.01 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 71.14 3dx6 s THR 214 CO -0.02 0.44 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.41 3dx6 s LEU 215 N 1.03 1.91 0.01 4.42 1.43 -1.26 -1.34 118.68 124.88 3dx6 s LEU 215 Ca -0.06 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 3dx6 s LEU 215 Cb -0.15 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 3dx6 s LEU 215 CO -0.02 0.05 0.02 0.42 0.23 0.00 0.00 176.35 177.05 3dx6 s THR 216 N 0.90 0.08 -0.10 5.49 -4.23 -0.70 -4.95 115.64 112.12 3dx6 s THR 216 Ca -0.07 -0.62 -0.04 0.00 -1.18 0.00 0.00 61.69 59.77 3dx6 s THR 216 Cb -0.15 -0.24 -0.04 0.00 1.34 0.00 0.00 72.50 73.41 3dx6 s THR 216 CO -0.02 -0.34 0.07 0.26 -0.54 0.00 0.00 174.62 174.06 3dx6 s TRP 217 N -1.05 3.38 0.04 3.99 0.52 -1.26 0.07 118.94 124.64 3dx6 s TRP 217 Ca -0.11 0.36 0.09 0.00 0.02 0.00 0.00 56.10 56.46 3dx6 s TRP 217 Cb -0.07 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.36 3dx6 s TRP 217 CO -0.00 0.61 -0.26 -0.65 0.02 0.00 0.00 176.95 176.66 3dx6 s GLN 218 N -1.01 1.82 -0.20 4.98 -0.21 0.41 -1.65 119.66 123.80 3dx6 s GLN 218 Ca 0.15 -1.10 -0.01 0.00 0.02 0.00 0.00 55.36 54.42 3dx6 s GLN 218 Cb -0.12 -1.99 0.02 0.00 1.00 0.00 0.00 33.01 31.92 3dx6 s GLN 218 CO 0.04 0.52 -0.14 0.50 -2.12 0.00 0.00 175.29 174.09 3dx6 s ARG 219 N -1.23 3.03 -1.48 2.91 3.52 -0.21 -1.08 118.95 124.40 3dx6 s ARG 219 Ca 0.12 -0.82 -0.12 0.00 -0.13 0.00 0.00 55.73 54.77 3dx6 s ARG 219 Cb -0.10 -2.76 0.08 0.00 -1.56 0.00 0.00 34.95 30.62 3dx6 s ARG 219 CO 0.02 -0.25 0.78 -0.25 -0.81 0.00 0.00 175.30 174.79 3dx6 n ASP 220 N 4.66 -4.51 0.00 -2.12 8.00 0.30 -1.87 116.55 121.02 3dx6 n ASP 220 Ca -0.19 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.67 3dx6 n ASP 220 Cb 0.49 -3.64 0.00 0.00 -0.02 0.00 0.00 41.12 37.95 3dx6 n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dx6 n GLY 221 N -1.49 0.63 3.35 0.44 0.00 -1.26 -5.03 105.19 101.81 3dx6 n GLY 221 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3dx6 n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dx6 s GLU 222 N -0.01 3.01 0.38 1.61 0.41 -0.78 -5.02 118.70 118.29 3dx6 s GLU 222 Ca 0.00 -0.76 -0.28 0.00 -0.41 0.00 0.00 54.97 53.52 3dx6 s GLU 222 Cb 0.00 -2.44 -0.11 0.00 -1.78 0.00 0.00 34.13 29.79 3dx6 s GLU 222 CO 0.00 0.32 1.46 -0.25 -0.49 0.00 0.00 175.26 176.30 3dx6 n ASP 223 N 3.18 3.65 -2.70 -0.19 8.00 -1.26 -1.04 116.55 126.18 3dx6 n ASP 223 Ca -0.18 1.22 -0.31 0.00 0.71 0.00 0.00 54.79 56.24 3dx6 n ASP 223 Cb 0.53 -1.60 0.01 0.00 -0.02 0.00 0.00 41.12 40.03 3dx6 n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dx6 n GLN 224 N 0.43 3.34 -0.13 -1.24 1.13 -0.66 -4.86 117.38 115.40 3dx6 n GLN 224 Ca 0.02 -4.32 -0.04 0.00 -1.94 0.00 0.00 57.00 50.71 3dx6 n GLN 224 Cb 0.39 -2.26 0.04 0.00 0.11 0.00 0.00 30.24 28.51 3dx6 n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3dx6 h THR 225 N 2.47 0.85 0.00 5.09 2.02 -1.92 0.17 112.91 121.58 3dx6 h THR 225 Ca 0.36 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.43 3dx6 h THR 225 Cb 0.62 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3dx6 h THR 225 CO 1.00 0.06 0.00 0.00 0.37 0.00 0.00 175.52 176.95 3dx6 n GLN 226 N -5.03 0.18 0.00 6.66 3.00 -1.26 -2.79 117.38 118.14 3dx6 n GLN 226 Ca 0.03 0.16 0.08 0.00 -0.01 0.00 0.00 57.00 57.27 3dx6 n GLN 226 Cb 0.17 -1.72 0.04 0.00 0.00 0.00 0.00 30.24 28.73 3dx6 n GLN 226 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3dx6 n ASP 227 N -2.03 2.09 -4.70 1.08 8.00 -0.83 -4.96 116.55 115.20 3dx6 n ASP 227 Ca 0.06 -1.54 -0.37 0.00 0.71 0.00 0.00 54.79 53.65 3dx6 n ASP 227 Cb 0.39 0.20 -0.08 0.00 -0.02 0.00 0.00 41.12 41.61 3dx6 n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dx6 s THR 228 N -1.62 5.30 -0.38 -3.53 2.01 -0.01 -4.46 115.64 112.94 3dx6 s THR 228 Ca 0.17 0.48 -0.21 0.00 0.31 0.00 0.00 61.69 62.44 3dx6 s THR 228 Cb 0.14 -3.61 0.01 0.00 0.01 0.00 0.00 72.50 69.04 3dx6 s THR 228 CO 0.29 0.34 0.67 -0.70 -0.69 0.00 0.00 174.62 174.54 3dx6 s GLU 229 N 0.84 3.61 -0.26 4.92 2.12 0.27 -4.92 118.70 125.28 3dx6 s GLU 229 Ca 0.14 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.49 3dx6 s GLU 229 Cb -0.13 -3.84 0.05 0.00 0.26 0.00 0.00 34.13 30.46 3dx6 s GLU 229 CO 0.05 -0.82 -0.07 -0.51 -0.54 0.00 0.00 175.26 173.36 3dx6 s LEU 230 N 2.82 3.44 0.50 2.70 1.43 -1.26 -0.39 118.68 127.92 3dx6 s LEU 230 Ca 0.26 -1.18 -0.17 0.00 -1.03 0.00 0.00 54.13 52.00 3dx6 s LEU 230 Cb -0.14 -1.62 -0.08 0.00 0.03 0.00 0.00 46.19 44.37 3dx6 s LEU 230 CO 0.16 -0.18 0.98 0.68 0.23 0.00 0.00 176.35 178.21 3dx6 s VAL 231 N 1.21 4.52 0.43 -1.59 -7.23 -1.07 -5.01 120.40 111.66 3dx6 s VAL 231 Ca -0.05 1.25 -0.25 0.00 -1.81 0.00 0.00 61.98 61.12 3dx6 s VAL 231 Cb -0.19 -3.70 -0.08 0.00 0.56 0.00 0.00 36.38 32.97 3dx6 s VAL 231 CO -0.04 -0.63 1.28 -0.70 -0.31 0.00 0.00 175.10 174.69 3dx6 s GLU 232 N -3.94 3.83 0.28 4.82 2.12 -1.26 -4.63 118.70 119.91 3dx6 s GLU 232 Ca 0.59 2.08 -0.30 0.00 0.36 0.00 0.00 54.97 57.70 3dx6 s GLU 232 Cb -0.10 -2.62 -0.11 0.00 0.26 0.00 0.00 34.13 31.55 3dx6 s GLU 232 CO 0.29 -0.58 1.60 0.99 -0.54 0.00 0.00 175.26 177.01 3dx6 s THR 233 N -1.33 2.11 0.02 -1.70 2.01 -1.26 -4.84 115.64 110.64 3dx6 s THR 233 Ca 0.60 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.73 3dx6 s THR 233 Cb -0.36 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 3dx6 s THR 233 CO 0.46 0.01 -0.12 0.00 -0.69 0.00 0.00 174.62 174.28 3dx6 s ARG 234 N -0.28 0.85 0.19 4.92 1.70 -0.34 -4.96 118.95 121.03 3dx6 s ARG 234 Ca 0.64 -0.58 -0.30 0.00 -0.47 0.00 0.00 55.73 55.03 3dx6 s ARG 234 Cb -0.48 -0.82 -0.08 0.00 -0.57 0.00 0.00 34.95 33.01 3dx6 s ARG 234 CO 0.46 0.21 1.11 -1.25 -1.08 0.00 0.00 175.30 174.74 3dx6 s PRO 235 N -0.77 4.59 0.30 3.89 0.04 -1.26 -0.41 135.00 141.38 3dx6 s PRO 235 Ca 0.02 1.74 0.15 0.00 0.04 0.00 0.00 61.00 62.95 3dx6 s PRO 235 Cb -0.06 -3.26 0.40 0.00 0.04 0.00 0.00 34.50 31.62 3dx6 s PRO 235 CO 0.00 0.08 1.61 0.00 0.04 0.00 0.00 177.00 178.73 3dx6 h ALA 236 N 4.95 0.87 0.00 8.56 0.00 -1.12 -3.47 119.26 129.05 3dx6 h ALA 236 Ca -0.45 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 53.98 3dx6 h ALA 236 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3dx6 h ALA 236 CO 0.72 0.66 0.00 0.41 0.00 0.00 0.00 179.25 181.04 3dx6 n GLY 237 N 0.51 0.17 0.88 0.00 0.00 -1.26 -4.95 105.19 100.55 3dx6 n GLY 237 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3dx6 n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dx6 n ASP 238 N 0.00 2.65 0.00 1.61 5.68 -1.26 -4.93 116.55 120.29 3dx6 n ASP 238 Ca 0.00 -3.55 0.00 0.00 -0.50 0.00 0.00 54.79 50.74 3dx6 n ASP 238 Cb 0.00 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 39.40 3dx6 n ASP 238 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 3dx6 n ARG 239 N -1.03 0.00 -2.50 0.11 1.85 -1.26 -5.04 116.66 108.79 3dx6 n ARG 239 Ca 0.26 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.88 3dx6 n ARG 239 Cb 0.91 -0.23 0.06 0.00 -1.05 0.00 0.00 32.46 32.14 3dx6 n ARG 239 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3dx6 s THR 240 N -1.44 2.44 0.27 8.89 -4.23 -1.26 -4.88 115.64 115.43 3dx6 s THR 240 Ca 0.00 -0.53 0.07 0.00 -1.18 0.00 0.00 61.69 60.05 3dx6 s THR 240 Cb 0.00 -2.90 -0.06 0.00 1.34 0.00 0.00 72.50 70.88 3dx6 s THR 240 CO 0.00 0.00 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.64 3dx6 s PHE 241 N -2.99 1.98 0.08 3.99 0.40 0.58 -0.52 117.98 121.49 3dx6 s PHE 241 Ca 0.60 -0.64 0.03 0.00 -0.60 0.00 0.00 56.93 56.33 3dx6 s PHE 241 Cb -0.09 -1.08 -0.03 0.00 0.51 0.00 0.00 43.02 42.33 3dx6 s PHE 241 CO 0.42 0.35 -0.10 -0.65 0.70 0.00 0.00 175.22 175.94 3dx6 s GLN 242 N -3.69 0.74 -0.01 0.44 -0.21 0.45 -2.30 119.66 115.08 3dx6 s GLN 242 Ca 0.29 -1.02 -0.26 0.00 0.02 0.00 0.00 55.36 54.39 3dx6 s GLN 242 Cb 0.02 -0.47 0.06 0.00 1.00 0.00 0.00 33.01 33.62 3dx6 s GLN 242 CO 0.12 0.08 0.57 0.21 -2.12 0.00 0.00 175.29 174.14 3dx6 s LYS 243 N -2.35 0.99 0.04 2.91 2.20 -0.47 -1.20 119.74 121.87 3dx6 s LYS 243 Ca 0.00 0.03 -0.01 0.00 -0.36 0.00 0.00 55.97 55.63 3dx6 s LYS 243 Cb -0.05 0.46 -0.03 0.00 -1.51 0.00 0.00 37.83 36.69 3dx6 s LYS 243 CO 0.00 -0.32 -0.02 1.67 -0.36 0.00 0.00 175.35 176.32 3dx6 s TRP 244 N -1.59 0.44 -0.03 4.03 1.48 -1.26 -0.71 118.94 121.30 3dx6 s TRP 244 Ca -0.10 -0.92 0.02 0.00 -1.06 0.00 0.00 56.10 54.04 3dx6 s TRP 244 Cb -0.01 -0.33 0.01 0.00 -1.16 0.00 0.00 33.47 31.98 3dx6 s TRP 244 CO 0.05 -0.35 -0.09 0.00 -4.06 0.00 0.00 176.95 172.51 3dx6 s ALA 245 N -3.37 0.91 0.00 2.67 0.00 -0.57 -2.58 121.76 118.82 3dx6 s ALA 245 Ca 0.02 -0.31 0.06 0.00 0.00 0.00 0.00 51.96 51.73 3dx6 s ALA 245 Cb 0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 3dx6 s ALA 245 CO -0.08 0.12 -0.18 0.00 0.00 0.00 0.00 175.76 175.62 3dx6 s ALA 246 N 0.37 1.48 0.06 0.00 0.00 0.48 -0.22 121.76 123.92 3dx6 s ALA 246 Ca -0.06 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.16 3dx6 s ALA 246 Cb -0.11 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 3dx6 s ALA 246 CO 0.01 0.35 -0.19 0.14 0.00 0.00 0.00 175.76 176.07 3dx6 s VAL 247 N -0.51 1.50 -0.25 0.00 -7.23 -0.42 -0.56 120.40 112.93 3dx6 s VAL 247 Ca 0.06 -1.22 -0.19 0.00 -1.81 0.00 0.00 61.98 58.82 3dx6 s VAL 247 Cb -0.07 -1.34 -0.02 0.00 0.56 0.00 0.00 36.38 35.51 3dx6 s VAL 247 CO -0.00 0.08 0.56 -0.69 -0.31 0.00 0.00 175.10 174.74 3dx6 s VAL 248 N -0.91 5.04 0.05 1.32 1.01 -1.26 -1.09 120.40 124.56 3dx6 s VAL 248 Ca 0.05 1.00 0.07 0.00 0.00 0.00 0.00 61.98 63.10 3dx6 s VAL 248 Cb -0.09 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3dx6 s VAL 248 CO 0.02 0.08 -0.19 0.68 0.00 0.00 0.00 175.10 175.69 3dx6 s VAL 249 N 2.26 1.52 0.35 2.92 -7.23 0.10 -4.94 120.40 115.39 3dx6 s VAL 249 Ca 0.24 -1.18 -0.29 0.00 -1.81 0.00 0.00 61.98 58.94 3dx6 s VAL 249 Cb -0.16 -1.34 -0.11 0.00 0.56 0.00 0.00 36.38 35.33 3dx6 s VAL 249 CO 0.09 0.13 1.54 -2.65 -0.31 0.00 0.00 175.10 173.89 3dx6 n PRO 250 N 1.79 2.72 -1.69 4.82 -0.02 -1.26 -0.71 135.00 140.64 3dx6 n PRO 250 Ca -0.18 0.96 -0.43 0.00 -2.02 0.00 0.00 63.50 61.83 3dx6 n PRO 250 Cb 0.54 -2.71 -0.01 0.00 -0.02 0.00 0.00 33.50 31.29 3dx6 n PRO 250 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3dx6 n SER 251 N 1.06 2.82 0.00 2.55 3.41 -0.67 -1.69 113.62 121.09 3dx6 n SER 251 Ca 0.04 1.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.84 3dx6 n SER 251 Cb 0.38 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.85 3dx6 n SER 251 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dx6 n GLY 252 N 1.16 2.07 1.10 5.00 0.00 -1.26 -4.87 105.19 108.38 3dx6 n GLY 252 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 3dx6 n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dx6 n GLU 253 N -2.00 2.95 -0.25 1.61 1.02 -0.68 -4.69 120.64 118.60 3dx6 n GLU 253 Ca 0.00 -2.48 0.13 0.00 -0.02 0.00 0.00 57.16 54.79 3dx6 n GLU 253 Cb 0.00 -1.52 0.41 0.00 -0.02 0.00 0.00 31.44 30.31 3dx6 n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3dx6 h GLU 254 N 3.27 0.59 0.00 3.49 3.07 -1.90 -1.80 114.58 121.31 3dx6 h GLU 254 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3dx6 h GLU 254 Cb 0.99 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 3dx6 h GLU 254 CO 0.05 0.39 0.00 1.04 -1.40 0.00 0.00 179.01 179.09 3dx6 n GLN 255 N -4.54 0.30 0.00 2.33 1.13 -1.26 -2.08 117.38 113.26 3dx6 n GLN 255 Ca 0.17 0.06 0.14 0.00 -1.94 0.00 0.00 57.00 55.43 3dx6 n GLN 255 Cb 0.51 -1.50 0.60 0.00 0.11 0.00 0.00 30.24 29.96 3dx6 n GLN 255 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3dx6 n ARG 256 N -1.31 0.05 -4.20 -1.09 1.74 -0.68 -4.83 116.66 106.34 3dx6 n ARG 256 Ca 0.11 -0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.83 3dx6 n ARG 256 Cb 0.21 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.06 3dx6 n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3dx6 s TYR 257 N -2.95 3.28 -0.03 -1.55 1.51 -0.88 -0.54 117.35 116.19 3dx6 s TYR 257 Ca 0.15 0.25 0.01 0.00 -1.01 0.00 0.00 57.07 56.48 3dx6 s TYR 257 Cb 0.19 -1.87 0.01 0.00 -0.11 0.00 0.00 41.96 40.19 3dx6 s TYR 257 CO 0.54 0.49 -0.05 0.95 -1.11 0.00 0.00 175.55 176.36 3dx6 s THR 258 N -0.73 0.51 -0.04 -0.71 -4.23 -0.24 -4.68 115.64 105.52 3dx6 s THR 258 Ca 0.12 -0.16 -0.17 0.00 -1.18 0.00 0.00 61.69 60.30 3dx6 s THR 258 Cb -0.12 -0.51 -0.05 0.00 1.34 0.00 0.00 72.50 73.16 3dx6 s THR 258 CO 0.02 0.20 0.48 0.00 -0.54 0.00 0.00 174.62 174.78 3dx6 s HIS 260 N -0.30 2.58 -0.12 0.00 3.76 0.11 -0.34 115.29 120.99 3dx6 s HIS 260 Ca 0.26 -1.02 0.02 0.00 -0.15 0.00 0.00 55.06 54.17 3dx6 s HIS 260 Cb -0.17 -1.72 0.01 0.00 1.11 0.00 0.00 32.58 31.82 3dx6 s HIS 260 CO 0.13 -0.41 -0.18 0.08 -0.85 0.00 0.00 174.74 173.52 3dx6 s VAL 261 N 0.34 1.69 -0.09 -0.90 1.01 -0.25 -1.73 120.40 120.48 3dx6 s VAL 261 Ca -0.18 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.07 3dx6 s VAL 261 Cb -0.18 -1.52 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 3dx6 s VAL 261 CO 0.09 0.48 -0.23 -1.10 0.00 0.00 0.00 175.10 174.34 3dx6 s GLN 262 N 0.88 2.85 -0.11 2.72 -0.21 -0.45 -0.93 119.66 124.41 3dx6 s GLN 262 Ca -0.08 -0.84 -0.27 0.00 0.02 0.00 0.00 55.36 54.19 3dx6 s GLN 262 Cb -0.15 -2.19 0.06 0.00 1.00 0.00 0.00 33.01 31.73 3dx6 s GLN 262 CO -0.01 0.20 0.64 -1.58 -2.12 0.00 0.00 175.29 172.42 3dx6 s HIS 263 N 0.29 -0.63 0.34 0.91 2.46 -1.26 -1.53 115.29 115.87 3dx6 s HIS 263 Ca -0.16 1.24 0.33 0.00 0.47 0.00 0.00 55.06 56.94 3dx6 s HIS 263 Cb -0.17 0.33 1.58 0.00 -0.13 0.00 0.00 32.58 34.19 3dx6 s HIS 263 CO 0.08 -0.51 2.08 1.05 -2.47 0.00 0.00 174.74 174.97 3dx6 h GLU 264 N 3.72 0.00 0.00 2.88 4.11 -1.94 -0.15 114.58 123.20 3dx6 h GLU 264 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 3dx6 h GLU 264 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3dx6 h GLU 264 CO 0.30 0.07 0.00 0.41 0.07 0.00 0.00 179.01 179.86 3dx6 n GLY 265 N -0.46 -1.25 3.67 1.06 0.00 -1.26 -4.73 105.19 102.21 3dx6 n GLY 265 Ca -0.01 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 3dx6 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dx6 s LEU 266 N -2.92 4.14 0.24 0.99 1.43 -0.07 -4.54 118.68 117.95 3dx6 s LEU 266 Ca 0.13 0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 53.48 3dx6 s LEU 266 Cb 0.15 -2.30 0.31 0.00 0.03 0.00 0.00 46.19 44.38 3dx6 s LEU 266 CO 0.41 0.00 1.85 -0.65 0.23 0.00 0.00 176.35 178.20 3dx6 h PRO 267 N 7.41 0.95 -5.11 1.29 0.11 -1.85 -3.44 132.00 131.36 3dx6 h PRO 267 Ca -0.37 -0.06 -0.36 0.00 0.11 0.00 0.00 66.00 65.32 3dx6 h PRO 267 Cb 1.17 -0.21 -0.20 0.00 0.11 0.00 0.00 31.00 31.87 3dx6 h PRO 267 CO 0.69 0.63 -0.75 0.15 -0.21 0.00 0.00 178.00 178.50 3dx6 s LYS 268 N -6.07 0.82 0.55 1.05 1.02 -1.26 -5.14 119.74 110.72 3dx6 s LYS 268 Ca -0.13 -1.05 -0.21 0.00 0.02 0.00 0.00 55.97 54.60 3dx6 s LYS 268 Cb 0.18 -0.66 -0.04 0.00 -0.52 0.00 0.00 37.83 36.78 3dx6 s LYS 268 CO 0.79 0.13 1.32 -2.14 -0.92 0.00 0.00 175.35 174.53 3dx6 s PRO 269 N -2.25 3.11 0.08 -1.68 0.02 -1.26 -4.95 135.00 128.07 3dx6 s PRO 269 Ca 0.01 2.15 -0.05 0.00 0.02 0.00 0.00 61.00 63.14 3dx6 s PRO 269 Cb -0.07 -2.20 -0.05 0.00 0.02 0.00 0.00 34.50 32.21 3dx6 s PRO 269 CO 0.01 -1.19 0.31 -0.51 -0.33 0.00 0.00 177.00 175.30 3dx6 s LEU 270 N -3.62 4.32 -0.14 -5.54 1.43 -0.10 -4.92 118.68 110.11 3dx6 s LEU 270 Ca 0.73 0.52 0.01 0.00 -1.03 0.00 0.00 54.13 54.36 3dx6 s LEU 270 Cb -0.38 -3.04 0.00 0.00 0.03 0.00 0.00 46.19 42.80 3dx6 s LEU 270 CO 0.45 0.14 -0.18 -0.89 0.23 0.00 0.00 176.35 176.10 3dx6 s THR 271 N -1.51 2.45 0.17 5.49 2.01 -1.26 -1.09 115.64 121.90 3dx6 s THR 271 Ca 0.35 -0.85 0.11 0.00 0.31 0.00 0.00 61.69 61.62 3dx6 s THR 271 Cb -0.13 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 3dx6 s THR 271 CO 0.23 0.53 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.67 3dx6 s LEU 272 N 0.75 2.39 0.19 4.42 1.02 0.54 -4.97 118.68 123.02 3dx6 s LEU 272 Ca -0.07 -0.82 0.04 0.00 0.02 0.00 0.00 54.13 53.30 3dx6 s LEU 272 Cb -0.16 -1.19 -0.05 0.00 0.02 0.00 0.00 46.19 44.82 3dx6 s LEU 272 CO 0.00 0.15 -0.05 -0.13 0.02 0.00 0.00 176.35 176.34 3dx6 s ARG 273 N -2.41 1.20 0.14 1.70 0.52 -1.26 -0.30 118.95 118.54 3dx6 s ARG 273 Ca 0.18 -1.57 -0.31 0.00 -0.52 0.00 0.00 55.73 53.51 3dx6 s ARG 273 Cb -0.09 -0.60 -0.10 0.00 0.52 0.00 0.00 34.95 34.68 3dx6 s ARG 273 CO 0.08 -0.02 1.62 -0.46 0.02 0.00 0.00 175.30 176.54 3dx6 s TRP 274 N -3.39 2.85 -0.41 -0.53 -0.00 -1.26 -4.68 118.94 111.52 3dx6 s TRP 274 Ca 0.23 0.49 -0.03 0.00 -0.00 0.00 0.00 56.10 56.79 3dx6 s TRP 274 Cb 0.04 -3.97 0.11 0.00 -0.00 0.00 0.00 33.47 29.65 3dx6 s TRP 274 CO 0.05 -3.69 0.21 -1.21 -0.00 0.00 0.00 176.95 172.31 3dx6 s GLU 275 N 1.58 2.02 0.00 5.86 0.41 -1.26 -4.96 118.70 122.35 3dx6 s GLU 275 Ca 0.72 -1.83 0.25 0.00 -0.41 0.00 0.00 54.97 53.70 3dx6 s GLU 275 Cb -0.44 -3.60 1.48 0.00 -1.78 0.00 0.00 34.13 29.80 3dx6 s GLU 275 CO 0.32 -1.08 1.84 -0.35 -0.49 0.00 0.00 175.26 175.50