#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixa s SER 2 N 0.00 6.16 0.10 1.61 0.15 -1.26 -4.07 113.70 116.38 3ixa s SER 2 Ca 0.00 1.63 0.01 0.00 0.70 0.00 0.00 55.95 58.28 3ixa s SER 2 Cb 0.00 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.76 3ixa s SER 2 CO 0.00 -0.91 -0.04 -1.00 1.20 0.00 0.00 173.24 172.49 3ixa s HIS 3 N -2.71 0.81 0.01 3.44 0.09 -0.43 -4.96 115.29 111.55 3ixa s HIS 3 Ca 0.60 -1.00 -0.04 0.00 -0.00 0.00 0.00 55.06 54.61 3ixa s HIS 3 Cb -0.12 -0.49 -0.01 0.00 -0.00 0.00 0.00 32.58 31.95 3ixa s HIS 3 CO 0.39 -0.26 0.07 -1.54 -0.00 0.00 0.00 174.74 173.40 3ixa s SER 4 N -3.02 0.13 -0.09 1.40 1.04 -1.26 -0.53 113.70 111.37 3ixa s SER 4 Ca 0.13 -0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.21 3ixa s SER 4 Cb 0.06 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.36 3ixa s SER 4 CO -0.05 -0.37 -0.18 -0.32 0.98 0.00 0.00 173.24 173.31 3ixa s MET 5 N -1.63 2.34 -0.01 4.02 -2.45 -0.62 -0.55 119.30 120.39 3ixa s MET 5 Ca -0.13 -0.63 0.02 0.00 -1.25 0.00 0.00 55.69 53.70 3ixa s MET 5 Cb -0.07 -1.85 -0.00 0.00 1.25 0.00 0.00 34.83 34.16 3ixa s MET 5 CO -0.00 0.08 -0.07 1.03 1.05 0.00 0.00 175.02 177.11 3ixa s ARG 6 N 0.57 0.62 0.01 4.11 0.52 -0.52 -1.28 118.95 122.99 3ixa s ARG 6 Ca -0.15 -0.24 0.04 0.00 -0.52 0.00 0.00 55.73 54.85 3ixa s ARG 6 Cb -0.17 -0.61 -0.03 0.00 0.52 0.00 0.00 34.95 34.66 3ixa s ARG 6 CO 0.05 0.13 -0.09 0.71 0.02 0.00 0.00 175.30 176.12 3ixa s TYR 7 N -0.04 2.82 -0.04 -0.53 1.51 -0.33 -0.84 117.35 119.91 3ixa s TYR 7 Ca 0.01 -0.09 0.02 0.00 -1.01 0.00 0.00 57.07 56.01 3ixa s TYR 7 Cb -0.04 -1.58 0.01 0.00 -0.11 0.00 0.00 41.96 40.24 3ixa s TYR 7 CO -0.00 0.35 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.63 3ixa s PHE 8 N -0.99 1.13 -0.03 2.71 0.40 0.09 -2.20 117.98 119.10 3ixa s PHE 8 Ca 0.17 -0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.18 3ixa s PHE 8 Cb -0.11 -0.83 0.01 0.00 0.51 0.00 0.00 43.02 42.60 3ixa s PHE 8 CO 0.07 -0.17 -0.05 -0.06 0.70 0.00 0.00 175.22 175.71 3ixa s PHE 9 N 0.44 0.68 -0.04 0.36 0.40 0.20 -1.09 117.98 118.92 3ixa s PHE 9 Ca -0.08 -0.16 0.02 0.00 -0.60 0.00 0.00 56.93 56.11 3ixa s PHE 9 Cb -0.12 -0.54 0.01 0.00 0.51 0.00 0.00 43.02 42.87 3ixa s PHE 9 CO 0.02 -0.11 -0.10 0.99 0.70 0.00 0.00 175.22 176.71 3ixa s THR 10 N 0.46 0.90 -0.06 0.64 2.01 -0.01 -1.22 115.64 118.36 3ixa s THR 10 Ca -0.06 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 61.58 3ixa s THR 10 Cb -0.10 -0.82 0.01 0.00 0.01 0.00 0.00 72.50 71.60 3ixa s THR 10 CO 0.00 0.29 -0.13 -0.44 -0.69 0.00 0.00 174.62 173.65 3ixa s SER 11 N 0.42 1.84 -0.17 3.53 0.01 0.12 -0.79 113.70 118.66 3ixa s SER 11 Ca -0.08 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.88 3ixa s SER 11 Cb -0.12 -0.77 0.03 0.00 0.21 0.00 0.00 66.02 65.37 3ixa s SER 11 CO 0.01 0.06 -0.11 -0.69 0.41 0.00 0.00 173.24 172.93 3ixa s VAL 12 N 0.51 1.46 0.45 3.43 1.01 -0.53 -0.65 120.40 126.09 3ixa s VAL 12 Ca -0.12 -0.74 -0.22 0.00 0.00 0.00 0.00 61.98 60.91 3ixa s VAL 12 Cb -0.15 -1.49 -0.08 0.00 0.00 0.00 0.00 36.38 34.66 3ixa s VAL 12 CO 0.03 0.29 1.05 -0.94 0.00 0.00 0.00 175.10 175.53 3ixa s SER 13 N 1.50 6.46 -0.43 3.32 1.04 -0.09 -1.38 113.70 124.13 3ixa s SER 13 Ca 0.02 2.00 0.04 0.00 0.48 0.00 0.00 55.95 58.49 3ixa s SER 13 Cb -0.14 -2.57 0.17 0.00 0.10 0.00 0.00 66.02 63.57 3ixa s SER 13 CO -0.09 -0.70 0.35 0.00 0.98 0.00 0.00 173.24 173.78 3ixa s ARG 14 N -2.93 1.00 0.21 4.02 1.70 -1.26 -4.13 118.95 117.57 3ixa s ARG 14 Ca 0.64 -2.18 -0.32 0.00 -0.47 0.00 0.00 55.73 53.39 3ixa s ARG 14 Cb -0.19 -1.55 -0.13 0.00 -0.57 0.00 0.00 34.95 32.50 3ixa s ARG 14 CO 0.24 -1.38 1.55 -2.30 -1.08 0.00 0.00 175.30 172.32 3ixa n PRO 15 N 2.80 2.28 0.00 3.89 -0.02 -1.26 -1.86 135.00 140.83 3ixa n PRO 15 Ca 0.29 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 3ixa n PRO 15 Cb 0.47 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 3ixa n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ixa n GLY 16 N 2.90 2.82 2.23 -1.23 0.00 -1.26 -4.82 105.19 105.83 3ixa n GLY 16 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3ixa n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ixa n ARG 17 N -0.79 3.05 0.00 1.61 1.74 -0.78 -5.08 116.66 116.41 3ixa n ARG 17 Ca 0.00 -3.63 0.00 0.00 -0.77 0.00 0.00 57.85 53.45 3ixa n ARG 17 Cb 0.00 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.15 3ixa n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ixa n GLY 18 N -0.83 -1.45 3.75 -0.13 0.00 -1.24 -4.91 105.19 100.38 3ixa n GLY 18 Ca 0.56 -1.38 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 3ixa n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ixa s GLU 19 N 0.00 2.55 0.49 1.61 0.41 -1.26 -4.51 118.70 117.99 3ixa s GLU 19 Ca 0.00 1.57 -0.23 0.00 -0.41 0.00 0.00 54.97 55.90 3ixa s GLU 19 Cb 0.00 -1.90 -0.06 0.00 -1.78 0.00 0.00 34.13 30.38 3ixa s GLU 19 CO 0.00 -1.48 1.26 -1.25 -0.49 0.00 0.00 175.26 173.30 3ixa s PRO 20 N -3.95 3.52 0.28 0.39 0.04 -1.26 -4.58 135.00 129.44 3ixa s PRO 20 Ca 0.71 2.00 -0.29 0.00 0.04 0.00 0.00 61.00 63.45 3ixa s PRO 20 Cb -0.25 -2.37 -0.10 0.00 0.04 0.00 0.00 34.50 31.83 3ixa s PRO 20 CO 0.42 -0.81 1.29 0.50 0.04 0.00 0.00 177.00 178.44 3ixa s ARG 21 N -2.75 4.40 -0.04 4.56 6.06 -0.48 -4.85 118.95 125.86 3ixa s ARG 21 Ca 0.66 2.12 0.00 0.00 -2.50 0.00 0.00 55.73 56.01 3ixa s ARG 21 Cb -0.34 -3.13 0.03 0.00 0.06 0.00 0.00 34.95 31.57 3ixa s ARG 21 CO 0.41 -0.17 -0.01 0.12 -2.50 0.00 0.00 175.30 173.16 3ixa s PHE 22 N -0.69 0.49 -0.04 5.12 5.36 -1.26 -1.45 117.98 125.51 3ixa s PHE 22 Ca 0.51 -0.07 0.02 0.00 -0.96 0.00 0.00 56.93 56.43 3ixa s PHE 22 Cb -0.38 -0.56 0.01 0.00 -0.34 0.00 0.00 43.02 41.76 3ixa s PHE 22 CO 0.46 -0.19 -0.07 0.42 -1.46 0.00 0.00 175.22 174.38 3ixa s ILE 23 N 1.24 0.70 -0.02 3.12 1.01 0.03 -0.72 121.20 126.56 3ixa s ILE 23 Ca -0.07 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.36 3ixa s ILE 23 Cb -0.13 -0.67 -0.01 0.00 0.01 0.00 0.00 42.46 41.66 3ixa s ILE 23 CO -0.02 0.25 -0.13 0.00 0.00 0.00 0.00 174.94 175.04 3ixa s ALA 24 N 0.58 1.08 0.01 9.38 0.00 -0.38 -0.83 121.76 131.60 3ixa s ALA 24 Ca -0.09 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.36 3ixa s ALA 24 Cb -0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 3ixa s ALA 24 CO 0.01 0.24 -0.06 0.14 0.00 0.00 0.00 175.76 176.10 3ixa s VAL 25 N -0.19 0.40 0.15 0.00 -7.23 -0.25 -1.12 120.40 112.16 3ixa s VAL 25 Ca 0.03 -0.52 0.11 0.00 -1.81 0.00 0.00 61.98 59.78 3ixa s VAL 25 Cb -0.06 -0.40 -0.04 0.00 0.56 0.00 0.00 36.38 36.43 3ixa s VAL 25 CO -0.00 -0.09 -0.24 -0.83 -0.31 0.00 0.00 175.10 173.63 3ixa s GLY 26 N -0.66 1.63 0.00 2.32 0.00 -0.78 -0.73 107.32 109.10 3ixa s GLY 26 Ca -0.03 -1.49 0.01 0.00 0.00 0.00 0.00 44.72 43.21 3ixa s GLY 26 CO -0.00 -1.49 -0.05 -0.19 0.00 0.00 0.00 173.10 171.37 3ixa s TYR 27 N -1.24 0.44 -0.22 1.90 1.51 -0.02 -0.58 117.35 119.14 3ixa s TYR 27 Ca 0.17 -0.12 -0.05 0.00 -1.01 0.00 0.00 57.07 56.05 3ixa s TYR 27 Cb -0.10 -0.28 -0.02 0.00 -0.11 0.00 0.00 41.96 41.46 3ixa s TYR 27 CO 0.08 -0.02 -0.01 0.08 -1.11 0.00 0.00 175.55 174.58 3ixa s VAL 28 N -0.24 3.73 0.00 0.71 1.01 0.13 -1.44 120.40 124.30 3ixa s VAL 28 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3ixa s VAL 28 Cb -0.03 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.65 3ixa s VAL 28 CO -0.00 0.40 0.00 0.47 0.00 0.00 0.00 175.10 175.97 3ixa n ASP 29 N 4.69 0.00 -1.62 3.32 10.43 0.29 -1.15 116.55 132.51 3ixa n ASP 29 Ca -0.17 0.00 -0.07 0.00 2.57 0.00 0.00 54.79 57.12 3ixa n ASP 29 Cb 0.51 0.00 0.24 0.00 1.84 0.00 0.00 41.12 43.71 3ixa n ASP 29 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3ixa n ASP 30 N 5.46 3.74 -4.26 -2.24 8.00 -1.26 -4.90 116.55 121.09 3ixa n ASP 30 Ca 0.00 -3.44 -0.35 0.00 0.71 0.00 0.00 54.79 51.71 3ixa n ASP 30 Cb 0.00 -0.70 -0.14 0.00 -0.02 0.00 0.00 41.12 40.26 3ixa n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ixa s THR 31 N -3.11 3.09 0.20 -3.53 2.01 -0.30 -5.02 115.64 108.98 3ixa s THR 31 Ca 0.50 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.51 3ixa s THR 31 Cb 0.42 -2.44 -0.08 0.00 0.01 0.00 0.00 72.50 70.41 3ixa s THR 31 CO 0.08 0.37 1.23 -1.58 -0.69 0.00 0.00 174.62 174.03 3ixa s GLN 32 N 1.42 4.46 -0.00 4.92 0.74 -1.26 -0.69 119.66 129.25 3ixa s GLN 32 Ca 0.04 1.94 0.01 0.00 0.05 0.00 0.00 55.36 57.40 3ixa s GLN 32 Cb -0.15 -3.21 -0.01 0.00 1.10 0.00 0.00 33.01 30.74 3ixa s GLN 32 CO -0.05 -0.12 0.01 1.97 -0.55 0.00 0.00 175.29 176.56 3ixa n PHE 33 N 2.34 0.00 -3.92 1.67 -1.74 0.26 -4.10 117.46 111.96 3ixa n PHE 33 Ca 0.04 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.83 3ixa n PHE 33 Cb 0.44 -0.02 -0.10 0.00 1.52 0.00 0.00 39.48 41.32 3ixa n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3ixa s VAL 34 N -2.05 0.11 0.04 1.97 -7.23 -1.20 -0.36 120.40 111.69 3ixa s VAL 34 Ca -0.00 -0.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 3ixa s VAL 34 Cb 0.00 -0.61 -0.03 0.00 0.56 0.00 0.00 36.38 36.30 3ixa s VAL 34 CO 0.03 -0.51 -0.04 0.00 -0.31 0.00 0.00 175.10 174.27 3ixa s ARG 35 N -1.97 0.49 -0.03 4.82 1.70 -0.41 -1.87 118.95 121.68 3ixa s ARG 35 Ca -0.10 -0.92 0.03 0.00 -0.47 0.00 0.00 55.73 54.27 3ixa s ARG 35 Cb -0.05 0.07 0.00 0.00 -0.57 0.00 0.00 34.95 34.40 3ixa s ARG 35 CO -0.02 -0.06 -0.10 0.12 -1.08 0.00 0.00 175.30 174.16 3ixa s PHE 36 N -2.54 1.04 -0.08 5.89 5.36 -0.28 0.18 117.98 127.54 3ixa s PHE 36 Ca -0.04 -0.26 -0.01 0.00 -0.96 0.00 0.00 56.93 55.66 3ixa s PHE 36 Cb -0.02 -0.73 0.03 0.00 -0.34 0.00 0.00 43.02 41.96 3ixa s PHE 36 CO -0.04 -0.10 -0.03 0.34 -1.46 0.00 0.00 175.22 173.92 3ixa s ASP 37 N 0.14 1.75 0.63 6.13 -1.08 -1.26 -1.25 116.67 121.73 3ixa s ASP 37 Ca -0.03 -0.17 0.32 0.00 -0.52 0.00 0.00 52.55 52.15 3ixa s ASP 37 Cb -0.08 -0.60 1.77 0.00 -1.46 0.00 0.00 42.92 42.55 3ixa s ASP 37 CO 0.01 -0.15 2.06 0.77 0.52 0.00 0.00 175.17 178.38 3ixa h SER 38 N 8.13 0.00 0.30 -0.34 4.64 -1.31 -1.97 113.55 123.00 3ixa h SER 38 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3ixa h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3ixa h SER 38 CO 0.34 0.00 -0.61 0.47 -0.87 0.00 0.00 176.83 176.16 3ixa n ASP 39 N -3.33 0.78 -4.82 4.97 9.92 -1.26 -4.95 116.55 117.86 3ixa n ASP 39 Ca 0.00 -0.60 -0.30 0.00 -0.53 0.00 0.00 54.79 53.37 3ixa n ASP 39 Cb 0.34 0.46 0.09 0.00 -0.64 0.00 0.00 41.12 41.37 3ixa n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ixa s ALA 40 N -2.92 2.32 0.16 2.24 0.00 -0.74 -4.99 121.76 117.83 3ixa s ALA 40 Ca 0.12 -0.28 -0.12 0.00 0.00 0.00 0.00 51.96 51.67 3ixa s ALA 40 Cb 0.17 -3.08 0.04 0.00 0.00 0.00 0.00 23.12 20.25 3ixa s ALA 40 CO 0.72 -1.69 1.65 0.00 0.00 0.00 0.00 175.76 176.44 3ixa h ALA 41 N -1.06 0.70 -0.14 0.00 0.00 -1.92 -3.36 119.26 113.48 3ixa h ALA 41 Ca -0.47 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.04 3ixa h ALA 41 Cb 1.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3ixa h ALA 41 CO 0.61 0.43 -0.62 0.66 0.00 0.00 0.00 179.25 180.32 3ixa h SER 42 N 0.76 0.57 -5.15 0.00 4.64 -1.94 -3.47 113.55 108.95 3ixa h SER 42 Ca 0.16 -0.33 -0.41 0.00 -0.47 0.00 0.00 61.79 60.74 3ixa h SER 42 Cb 0.38 -0.16 0.05 0.00 -0.31 0.00 0.00 62.40 62.36 3ixa h SER 42 CO 0.01 1.05 -0.64 0.00 -0.87 0.00 0.00 176.83 176.38 3ixa n GLN 43 N -3.91 -5.51 -4.15 4.77 1.13 -1.26 -5.01 117.38 103.44 3ixa n GLN 43 Ca -0.04 0.80 -0.14 0.00 -1.94 0.00 0.00 57.00 55.68 3ixa n GLN 43 Cb 0.65 -5.69 -0.11 0.00 0.11 0.00 0.00 30.24 25.20 3ixa n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3ixa s ARG 44 N -6.00 0.77 0.23 -1.09 1.81 -1.26 -5.04 118.95 108.37 3ixa s ARG 44 Ca 0.43 -1.08 -0.30 0.00 -1.72 0.00 0.00 55.73 53.05 3ixa s ARG 44 Cb -0.20 -0.44 -0.10 0.00 -0.45 0.00 0.00 34.95 33.76 3ixa s ARG 44 CO 0.53 0.06 1.49 1.41 -0.68 0.00 0.00 175.30 178.12 3ixa s MET 45 N -2.62 4.23 0.00 3.54 -2.45 -1.26 -4.71 119.30 116.04 3ixa s MET 45 Ca 0.02 2.35 0.08 0.00 -1.25 0.00 0.00 55.69 56.89 3ixa s MET 45 Cb -0.04 -3.11 -0.02 0.00 1.25 0.00 0.00 34.83 32.91 3ixa s MET 45 CO -0.01 -0.50 -0.23 -1.21 1.05 0.00 0.00 175.02 174.12 3ixa s GLU 46 N 0.06 1.79 0.46 4.11 2.02 0.13 -4.93 118.70 122.34 3ixa s GLU 46 Ca 0.63 -0.90 -0.23 0.00 0.02 0.00 0.00 54.97 54.49 3ixa s GLU 46 Cb -0.43 -1.80 -0.07 0.00 0.10 0.00 0.00 34.13 31.93 3ixa s GLU 46 CO 0.40 0.48 1.18 -1.25 0.02 0.00 0.00 175.26 176.10 3ixa s PRO 47 N -0.79 3.72 0.00 0.39 0.04 -1.26 -1.29 135.00 135.81 3ixa s PRO 47 Ca 0.09 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.95 3ixa s PRO 47 Cb -0.09 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.04 3ixa s PRO 47 CO 0.00 -0.59 0.23 0.54 0.04 0.00 0.00 177.00 177.22 3ixa n ARG 48 N -0.50 0.05 -4.39 4.56 5.12 0.52 -4.83 116.66 117.18 3ixa n ARG 48 Ca 0.07 -0.25 -0.19 0.00 -1.93 0.00 0.00 57.85 55.55 3ixa n ARG 48 Cb 0.48 -0.55 -0.15 0.00 -1.16 0.00 0.00 32.46 31.08 3ixa n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ixa s ALA 49 N -0.04 0.83 0.25 7.54 0.00 -1.17 -4.68 121.76 124.49 3ixa s ALA 49 Ca 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.47 3ixa s ALA 49 Cb 0.00 -0.20 0.46 0.00 0.00 0.00 0.00 23.12 23.38 3ixa s ALA 49 CO 0.00 0.19 1.79 -1.00 0.00 0.00 0.00 175.76 176.74 3ixa h PRO 50 N 5.78 0.68 0.00 0.00 0.13 -1.94 -2.98 132.00 133.68 3ixa h PRO 50 Ca -0.32 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 3ixa h PRO 50 Cb 1.18 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 3ixa h PRO 50 CO 0.49 0.45 -0.11 0.11 -0.23 0.00 0.00 178.00 178.71 3ixa h TRP 51 N 0.70 0.00 0.00 1.56 5.08 -1.97 -2.53 115.95 118.80 3ixa h TRP 51 Ca 0.43 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.40 3ixa h TRP 51 Cb 0.50 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.66 3ixa h TRP 51 CO -0.08 0.11 0.00 0.97 -1.28 0.00 0.00 178.44 178.16 3ixa h ILE 52 N 0.00 0.00 -0.06 0.12 6.09 -1.87 -3.31 117.51 118.47 3ixa h ILE 52 Ca -0.00 -0.82 0.02 0.00 -1.37 0.00 0.00 64.86 62.68 3ixa h ILE 52 Cb 0.26 1.82 -0.00 0.00 0.47 0.00 0.00 36.82 39.37 3ixa h ILE 52 CO 0.01 0.00 0.06 -0.33 -3.07 0.00 0.00 178.15 174.83 3ixa h GLU 53 N 0.00 0.00 0.00 2.19 5.08 -1.55 -2.05 114.58 118.26 3ixa h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ixa h GLU 53 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3ixa h GLU 53 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 3ixa n GLN 54 N -3.98 0.13 -1.98 2.33 10.64 -1.25 -4.80 117.38 118.47 3ixa n GLN 54 Ca -0.01 0.28 -0.41 0.00 -1.83 0.00 0.00 57.00 55.03 3ixa n GLN 54 Cb 0.16 -1.71 -0.01 0.00 -0.86 0.00 0.00 30.24 27.83 3ixa n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 3ixa s GLU 55 N -3.14 4.18 1.01 2.61 0.41 -0.77 -5.03 118.70 117.97 3ixa s GLU 55 Ca 0.08 2.35 -0.17 0.00 -0.41 0.00 0.00 54.97 56.82 3ixa s GLU 55 Cb 0.11 -2.97 0.22 0.00 -1.78 0.00 0.00 34.13 29.71 3ixa s GLU 55 CO 0.42 -0.38 1.29 0.20 -0.49 0.00 0.00 175.26 176.29 3ixa s GLY 56 N -0.40 1.75 0.48 -1.39 0.00 -1.26 -4.85 107.32 101.66 3ixa s GLY 56 Ca 0.52 -1.18 0.19 0.00 0.00 0.00 0.00 44.72 44.25 3ixa s GLY 56 CO 0.56 -0.38 2.05 -2.55 0.00 0.00 0.00 173.10 172.78 3ixa h PRO 57 N -1.85 0.00 -0.60 2.90 0.11 -1.99 -1.90 132.00 128.68 3ixa h PRO 57 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3ixa h PRO 57 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 3ixa h PRO 57 CO 0.36 0.14 0.24 0.93 -0.21 0.00 0.00 178.00 179.46 3ixa h GLU 58 N 0.00 0.87 0.71 1.05 3.07 -1.99 -0.63 114.58 117.66 3ixa h GLU 58 Ca -0.00 -0.14 -0.03 0.00 -0.50 0.00 0.00 59.36 58.69 3ixa h GLU 58 Cb 0.28 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 28.04 3ixa h GLU 58 CO 0.02 0.71 -0.34 -0.92 -1.40 0.00 0.00 179.01 177.08 3ixa h TYR 59 N 0.86 -0.88 -0.49 4.33 3.20 -1.70 -1.83 116.97 120.45 3ixa h TYR 59 Ca 0.20 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.12 3ixa h TYR 59 Cb 0.17 0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.68 3ixa h TYR 59 CO 0.01 -0.52 0.19 -1.49 -1.64 0.00 0.00 178.16 174.71 3ixa h TRP 60 N -1.11 0.33 -0.81 -3.82 4.06 -1.38 0.16 115.95 113.38 3ixa h TRP 60 Ca -0.10 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.86 3ixa h TRP 60 Cb 0.76 -0.08 -0.04 0.00 -1.00 0.00 0.00 29.16 28.80 3ixa h TRP 60 CO -0.00 0.12 0.45 -0.44 -3.56 0.00 0.00 178.44 175.00 3ixa h ASP 61 N 0.37 1.02 -0.08 -3.49 3.45 -1.20 -1.97 116.42 114.52 3ixa h ASP 61 Ca 0.23 -0.10 -0.14 0.00 0.43 0.00 0.00 57.03 57.45 3ixa h ASP 61 Cb 0.23 -0.26 0.01 0.00 -0.56 0.00 0.00 39.33 38.75 3ixa h ASP 61 CO -0.22 0.82 -0.51 1.23 -1.57 0.00 0.00 179.24 178.99 3ixa h GLY 62 N 1.13 0.54 1.33 2.75 0.00 -0.89 -1.71 103.07 106.22 3ixa h GLY 62 Ca 0.29 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 3ixa h GLY 62 CO -0.05 0.70 0.27 0.83 0.00 0.00 0.00 176.54 178.30 3ixa h GLU 63 N 0.06 0.86 0.21 4.80 4.39 -1.00 0.64 114.58 124.54 3ixa h GLU 63 Ca -0.04 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 3ixa h GLU 63 Cb 1.17 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 3ixa h GLU 63 CO 0.10 0.69 -0.10 1.15 -1.16 0.00 0.00 179.01 179.69 3ixa h THR 64 N 0.86 0.85 -0.38 1.13 2.02 -1.34 0.55 112.91 116.58 3ixa h THR 64 Ca 0.21 -0.32 0.08 0.00 0.77 0.00 0.00 66.41 67.15 3ixa h THR 64 Cb 0.12 1.04 -0.08 0.00 -1.74 0.00 0.00 68.15 67.49 3ixa h THR 64 CO -0.02 0.07 -0.17 -0.09 0.37 0.00 0.00 175.52 175.68 3ixa h ARG 65 N -0.45 -0.09 -0.34 6.66 2.43 -1.22 -1.40 114.38 119.97 3ixa h ARG 65 Ca -0.03 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3ixa h ARG 65 Cb 0.34 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 3ixa h ARG 65 CO 0.05 -0.06 0.16 0.87 -1.51 0.00 0.00 179.97 179.48 3ixa h LYS 66 N -0.09 0.49 0.00 0.20 1.57 -0.71 -1.61 116.57 116.41 3ixa h LYS 66 Ca 0.19 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3ixa h LYS 66 Cb 0.38 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3ixa h LYS 66 CO -0.45 0.45 -0.25 -0.24 -0.57 0.00 0.00 179.45 178.39 3ixa h VAL 67 N 0.41 1.15 -0.03 0.50 3.04 0.23 -1.97 116.25 119.58 3ixa h VAL 67 Ca 0.12 -0.87 -0.22 0.00 -1.01 0.00 0.00 66.70 64.72 3ixa h VAL 67 Cb 0.12 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 3ixa h VAL 67 CO -0.01 0.25 -0.89 0.11 -1.01 0.00 0.00 177.57 176.01 3ixa h LYS 68 N 0.00 0.48 -0.66 4.17 1.57 -0.90 -1.21 116.57 120.02 3ixa h LYS 68 Ca -0.00 -0.48 0.05 0.00 -1.87 0.00 0.00 60.65 58.35 3ixa h LYS 68 Cb 0.45 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.85 3ixa h LYS 68 CO 0.03 1.12 0.44 0.00 -0.57 0.00 0.00 179.45 180.47 3ixa h ALA 69 N 0.72 1.71 -0.30 3.86 0.00 -0.90 0.07 119.26 124.41 3ixa h ALA 69 Ca -0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3ixa h ALA 69 Cb 1.52 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3ixa h ALA 69 CO 0.16 0.20 0.01 0.45 0.00 0.00 0.00 179.25 180.07 3ixa h HIS 70 N 0.72 0.57 0.06 0.00 3.86 -0.93 -0.80 115.15 118.64 3ixa h HIS 70 Ca 0.28 -0.10 0.02 0.00 -1.16 0.00 0.00 60.37 59.42 3ixa h HIS 70 Cb 0.19 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 3ixa h HIS 70 CO -0.00 0.65 -0.22 1.03 0.86 0.00 0.00 177.93 180.25 3ixa h SER 71 N 0.33 -0.64 -0.92 2.45 0.87 -0.84 -0.48 113.55 114.33 3ixa h SER 71 Ca 0.09 0.08 0.04 0.00 -1.23 0.00 0.00 61.79 60.77 3ixa h SER 71 Cb 0.41 0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 62.57 3ixa h SER 71 CO 0.01 -0.30 0.59 -0.61 -0.53 0.00 0.00 176.83 176.00 3ixa h GLN 72 N -0.38 1.10 -0.48 2.24 -0.00 -1.01 -1.01 115.11 115.56 3ixa h GLN 72 Ca 0.04 -0.07 0.01 0.00 -0.00 0.00 0.00 58.65 58.64 3ixa h GLN 72 Cb 0.43 -0.25 -0.03 0.00 0.00 0.00 0.00 27.48 27.64 3ixa h GLN 72 CO -0.16 0.73 0.31 1.15 0.00 0.00 0.00 178.83 180.86 3ixa h THR 73 N 1.14 1.10 -0.10 2.39 2.02 -0.65 -2.25 112.91 116.56 3ixa h THR 73 Ca 0.37 -0.21 -0.11 0.00 0.77 0.00 0.00 66.41 67.23 3ixa h THR 73 Cb 0.03 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3ixa h THR 73 CO -0.13 0.11 -0.42 0.45 0.37 0.00 0.00 175.52 175.91 3ixa h HIS 74 N 0.62 0.26 -0.57 3.16 3.86 -0.75 -1.43 115.15 120.30 3ixa h HIS 74 Ca 0.18 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 59.27 3ixa h HIS 74 Cb -0.04 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 3ixa h HIS 74 CO -0.05 0.60 0.14 -0.09 0.86 0.00 0.00 177.93 179.39 3ixa h ARG 75 N 0.18 0.91 -0.14 2.45 2.43 -0.95 -1.61 114.38 117.65 3ixa h ARG 75 Ca 0.02 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 58.95 3ixa h ARG 75 Cb 0.82 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 3ixa h ARG 75 CO 0.06 0.84 0.00 0.28 -1.51 0.00 0.00 179.97 179.65 3ixa h VAL 76 N 0.81 1.25 -0.66 0.20 2.07 -1.10 -3.28 116.25 115.54 3ixa h VAL 76 Ca 0.18 -0.81 0.14 0.00 0.82 0.00 0.00 66.70 67.03 3ixa h VAL 76 Cb 0.34 1.50 -0.12 0.00 -1.52 0.00 0.00 31.29 31.49 3ixa h VAL 76 CO 0.00 0.24 -0.13 0.44 0.02 0.00 0.00 177.57 178.14 3ixa h ASP 77 N -0.01 -0.54 -0.68 0.57 3.32 -1.14 -0.92 116.42 117.02 3ixa h ASP 77 Ca 0.04 0.19 0.15 0.00 0.02 0.00 0.00 57.03 57.43 3ixa h ASP 77 Cb 0.36 0.38 -0.11 0.00 0.22 0.00 0.00 39.33 40.18 3ixa h ASP 77 CO 0.01 -0.20 0.03 -0.07 -1.72 0.00 0.00 179.24 177.28 3ixa h LEU 78 N 0.02 -0.26 -0.44 1.55 3.38 -1.35 0.52 115.31 118.74 3ixa h LEU 78 Ca 0.33 0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.40 3ixa h LEU 78 Cb 0.51 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3ixa h LEU 78 CO -0.65 -0.12 0.04 1.23 0.09 0.00 0.00 178.44 179.02 3ixa h GLY 79 N 0.13 0.81 0.96 0.83 0.00 -1.38 -2.66 103.07 101.76 3ixa h GLY 79 Ca 0.37 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3ixa h GLY 79 CO -0.57 0.52 0.03 -0.84 0.00 0.00 0.00 176.54 175.68 3ixa h THR 80 N 0.60 1.00 -0.25 4.70 2.02 0.10 -2.08 112.91 119.00 3ixa h THR 80 Ca 0.13 -0.02 -0.13 0.00 0.77 0.00 0.00 66.41 67.16 3ixa h THR 80 Cb 0.43 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3ixa h THR 80 CO 0.01 0.01 -0.39 -0.07 0.37 0.00 0.00 175.52 175.46 3ixa h LEU 81 N 0.07 0.60 -1.53 2.58 3.38 -0.07 0.05 115.31 120.38 3ixa h LEU 81 Ca 0.03 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3ixa h LEU 81 Cb 0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3ixa h LEU 81 CO -0.02 0.92 0.25 -0.09 0.09 0.00 0.00 178.44 179.59 3ixa h ARG 82 N 0.47 0.56 -0.08 1.13 2.43 -1.39 -0.55 114.38 116.95 3ixa h ARG 82 Ca 0.04 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 3ixa h ARG 82 Cb 0.88 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.32 3ixa h ARG 82 CO 0.08 0.40 -0.46 0.78 -1.51 0.00 0.00 179.97 179.25 3ixa h GLY 83 N 0.62 0.50 0.85 2.80 0.00 -0.59 0.05 103.07 107.30 3ixa h GLY 83 Ca 0.15 -0.72 0.04 0.00 0.00 0.00 0.00 47.33 46.79 3ixa h GLY 83 CO -0.03 0.64 0.48 -0.97 0.00 0.00 0.00 176.54 176.66 3ixa h TYR 84 N 0.01 0.90 -0.61 5.60 0.05 -0.74 -2.99 116.97 119.19 3ixa h TYR 84 Ca -0.04 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3ixa h TYR 84 Cb 1.12 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.57 3ixa h TYR 84 CO 0.12 0.50 0.00 0.66 -1.05 0.00 0.00 178.16 178.40 3ixa n TYR 85 N -4.63 0.81 -3.89 4.88 4.01 -0.24 -4.96 117.16 113.14 3ixa n TYR 85 Ca 0.09 -0.40 -0.26 0.00 -0.16 0.00 0.00 57.90 57.17 3ixa n TYR 85 Cb 0.10 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.14 3ixa n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3ixa n ASN 86 N 1.36 -1.77 -4.94 7.72 5.15 -0.88 -4.99 115.26 116.90 3ixa n ASN 86 Ca 0.21 -0.90 -0.24 0.00 -0.60 0.00 0.00 54.58 53.05 3ixa n ASN 86 Cb 0.54 -3.52 -0.01 0.00 -0.53 0.00 0.00 39.78 36.27 3ixa n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3ixa s GLN 87 N -6.41 3.40 0.65 1.20 -0.21 -0.05 -5.04 119.66 113.20 3ixa s GLN 87 Ca 0.21 -0.31 -0.08 0.00 0.02 0.00 0.00 55.36 55.20 3ixa s GLN 87 Cb -0.11 -2.61 0.02 0.00 1.00 0.00 0.00 33.01 31.32 3ixa s GLN 87 CO 0.86 0.02 0.98 -1.54 -2.12 0.00 0.00 175.29 173.49 3ixa s SER 88 N -4.08 5.34 0.44 5.90 1.04 -1.26 -4.80 113.70 116.28 3ixa s SER 88 Ca 0.42 0.75 0.24 0.00 0.48 0.00 0.00 55.95 57.84 3ixa s SER 88 Cb -0.10 -1.60 0.93 0.00 0.10 0.00 0.00 66.02 65.35 3ixa s SER 88 CO 0.37 -1.28 1.83 -0.08 0.98 0.00 0.00 173.24 175.07 3ixa h GLU 89 N -0.41 0.00 0.00 4.02 4.22 -1.98 -3.34 114.58 117.09 3ixa h GLU 89 Ca -0.45 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 58.99 3ixa h GLU 89 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 3ixa h GLU 89 CO 0.62 0.23 -0.00 0.00 -2.18 0.00 0.00 179.01 177.68 3ixa h ALA 90 N 1.77 1.00 -2.37 2.92 0.00 -1.98 -3.44 119.26 117.15 3ixa h ALA 90 Ca -0.00 -0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3ixa h ALA 90 Cb 0.73 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3ixa h ALA 90 CO 0.03 0.00 -0.13 0.20 0.00 0.00 0.00 179.25 179.35 3ixa s GLY 91 N -4.21 1.70 -0.02 0.00 0.00 -1.26 -4.77 107.32 98.77 3ixa s GLY 91 Ca 0.07 -0.64 -0.23 0.00 0.00 0.00 0.00 44.72 43.92 3ixa s GLY 91 CO 0.66 -0.54 0.68 -0.45 0.00 0.00 0.00 173.10 173.46 3ixa s SER 92 N -3.45 7.04 0.16 1.64 0.15 -1.26 -4.69 113.70 113.28 3ixa s SER 92 Ca 0.43 1.24 0.08 0.00 0.70 0.00 0.00 55.95 58.41 3ixa s SER 92 Cb -0.10 -2.41 -0.04 0.00 -1.71 0.00 0.00 66.02 61.75 3ixa s SER 92 CO 0.33 -0.02 -0.18 -1.00 1.20 0.00 0.00 173.24 173.57 3ixa s HIS 93 N 0.29 1.76 -0.06 3.44 3.76 -1.26 -4.94 115.29 118.28 3ixa s HIS 93 Ca 0.36 -0.48 0.05 0.00 -0.15 0.00 0.00 55.06 54.84 3ixa s HIS 93 Cb -0.19 -0.89 -0.01 0.00 1.11 0.00 0.00 32.58 32.60 3ixa s HIS 93 CO 0.19 0.30 -0.22 0.99 -0.85 0.00 0.00 174.74 175.15 3ixa s THR 94 N -2.03 2.29 -0.02 1.30 2.01 -1.26 -0.91 115.64 117.02 3ixa s THR 94 Ca 0.14 -0.98 0.07 0.00 0.31 0.00 0.00 61.69 61.23 3ixa s THR 94 Cb -0.06 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 3ixa s THR 94 CO 0.06 0.57 -0.21 0.68 -0.69 0.00 0.00 174.62 175.03 3ixa s VAL 95 N -0.19 2.48 0.05 3.82 -7.23 0.18 -0.57 120.40 118.93 3ixa s VAL 95 Ca -0.02 -1.01 0.05 0.00 -1.81 0.00 0.00 61.98 59.18 3ixa s VAL 95 Cb -0.14 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.85 3ixa s VAL 95 CO 0.03 0.54 -0.14 -1.10 -0.31 0.00 0.00 175.10 174.13 3ixa s GLN 96 N -0.80 0.88 -0.04 4.82 -0.21 -0.50 -0.70 119.66 123.12 3ixa s GLN 96 Ca 0.11 -0.79 -0.02 0.00 0.02 0.00 0.00 55.36 54.68 3ixa s GLN 96 Cb -0.10 -0.88 0.02 0.00 1.00 0.00 0.00 33.01 33.05 3ixa s GLN 96 CO 0.00 0.21 0.09 0.50 -2.12 0.00 0.00 175.29 173.97 3ixa s ARG 97 N -1.27 0.06 -0.02 2.91 3.52 -0.36 -0.18 118.95 123.62 3ixa s ARG 97 Ca 0.00 0.20 0.01 0.00 -0.13 0.00 0.00 55.73 55.81 3ixa s ARG 97 Cb -0.08 -0.08 0.01 0.00 -1.56 0.00 0.00 34.95 33.23 3ixa s ARG 97 CO 0.01 -0.09 -0.04 1.41 -0.81 0.00 0.00 175.30 175.79 3ixa s MET 98 N 0.59 0.53 0.18 5.12 1.75 -0.38 -0.63 119.30 126.46 3ixa s MET 98 Ca -0.05 -0.11 -0.01 0.00 -1.25 0.00 0.00 55.69 54.28 3ixa s MET 98 Cb -0.06 -0.56 -0.04 0.00 2.84 0.00 0.00 34.83 37.00 3ixa s MET 98 CO -0.02 0.00 0.10 1.52 -0.65 0.00 0.00 175.02 175.97 3ixa s TYR 99 N 0.44 1.10 -4.15 4.11 -0.85 -0.93 -0.85 117.35 116.21 3ixa s TYR 99 Ca -0.05 -1.32 0.00 0.00 -0.52 0.00 0.00 57.07 55.18 3ixa s TYR 99 Cb -0.09 -0.56 0.00 0.00 0.38 0.00 0.00 41.96 41.69 3ixa s TYR 99 CO -0.00 -0.58 0.00 0.41 -1.52 0.00 0.00 175.55 173.86 3ixa n GLY 100 N -0.23 -0.63 3.14 5.49 0.00 -0.78 -1.18 105.19 111.00 3ixa n GLY 100 Ca -0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 3ixa n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixa s ASP 102 N -1.28 5.36 0.11 0.00 1.01 0.12 -1.60 116.67 120.39 3ixa s ASP 102 Ca -0.14 -0.01 0.09 0.00 0.71 0.00 0.00 52.55 53.21 3ixa s ASP 102 Cb -0.07 -1.42 -0.04 0.00 1.01 0.00 0.00 42.92 42.41 3ixa s ASP 102 CO 0.02 0.22 -0.24 0.68 0.21 0.00 0.00 175.17 176.07 3ixa s VAL 103 N -1.25 1.96 0.04 -1.27 -7.23 0.31 -0.22 120.40 112.74 3ixa s VAL 103 Ca 0.25 -1.60 -0.01 0.00 -1.81 0.00 0.00 61.98 58.81 3ixa s VAL 103 Cb -0.12 -1.75 0.01 0.00 0.56 0.00 0.00 36.38 35.08 3ixa s VAL 103 CO 0.16 0.04 0.04 0.61 -0.31 0.00 0.00 175.10 175.65 3ixa n GLY 104 N 1.10 -1.90 0.02 2.32 0.00 -0.58 -1.31 105.19 104.83 3ixa n GLY 104 Ca -0.19 -1.54 0.13 0.00 0.00 0.00 0.00 46.02 44.42 3ixa n GLY 104 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ixa n SER 105 N -3.05 0.15 -0.48 1.61 3.41 -1.26 -1.77 113.62 112.23 3ixa n SER 105 Ca 0.01 0.52 0.10 0.00 -0.26 0.00 0.00 58.87 59.23 3ixa n SER 105 Cb 0.02 -0.56 0.38 0.00 -0.26 0.00 0.00 64.21 63.80 3ixa n SER 105 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ixa n ASP 106 N -1.64 1.45 -0.35 4.04 3.85 -1.26 -4.78 116.55 117.85 3ixa n ASP 106 Ca 0.06 -1.69 -0.05 0.00 -0.71 0.00 0.00 54.79 52.41 3ixa n ASP 106 Cb 0.32 -0.10 -0.02 0.00 -1.35 0.00 0.00 41.12 39.97 3ixa n ASP 106 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 3ixa n TRP 107 N 0.18 0.00 -3.36 2.11 7.02 -0.73 -5.00 117.44 117.66 3ixa n TRP 107 Ca 0.16 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.29 3ixa n TRP 107 Cb 0.29 -1.72 -0.06 0.00 -2.42 0.00 0.00 31.31 27.40 3ixa n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3ixa s ARG 108 N -1.95 3.95 -0.13 -0.99 0.52 -1.26 -4.79 118.95 114.30 3ixa s ARG 108 Ca 0.00 0.45 -0.39 0.00 -0.52 0.00 0.00 55.73 55.27 3ixa s ARG 108 Cb 0.00 -2.87 -0.19 0.00 0.52 0.00 0.00 34.95 32.41 3ixa s ARG 108 CO 0.00 0.44 1.14 0.34 0.02 0.00 0.00 175.30 177.24 3ixa n PHE 109 N 0.60 0.88 -0.05 -0.53 7.35 -1.26 -1.52 117.46 122.94 3ixa n PHE 109 Ca -0.04 1.02 -0.10 0.00 -0.76 0.00 0.00 57.45 57.57 3ixa n PHE 109 Cb 0.52 -2.00 -0.03 0.00 0.35 0.00 0.00 39.48 38.31 3ixa n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3ixa n LEU 110 N 2.04 1.08 -3.57 -2.13 7.94 0.69 -4.74 117.00 118.31 3ixa n LEU 110 Ca 0.22 0.18 -0.13 0.00 -1.11 0.00 0.00 56.01 55.16 3ixa n LEU 110 Cb 0.04 -0.42 -0.05 0.00 0.53 0.00 0.00 43.42 43.53 3ixa n LEU 110 CO 0.65 -0.01 0.27 0.00 -1.11 0.00 0.00 177.39 177.19 3ixa s ARG 111 N -2.29 1.07 0.07 1.96 1.70 -1.08 -4.97 118.95 115.40 3ixa s ARG 111 Ca -0.16 -0.35 0.05 0.00 -0.47 0.00 0.00 55.73 54.80 3ixa s ARG 111 Cb 0.05 0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 34.89 3ixa s ARG 111 CO 0.21 -0.40 -0.14 0.20 -1.08 0.00 0.00 175.30 174.09 3ixa s GLY 112 N -2.22 0.86 0.08 3.88 0.00 -1.26 0.15 107.32 108.81 3ixa s GLY 112 Ca -0.03 -0.99 -0.11 0.00 0.00 0.00 0.00 44.72 43.59 3ixa s GLY 112 CO -0.05 -1.01 0.25 -2.52 0.00 0.00 0.00 173.10 169.77 3ixa s TYR 113 N -1.24 0.02 -0.30 1.90 -0.85 -0.45 -4.77 117.35 111.66 3ixa s TYR 113 Ca -0.02 -0.35 -0.07 0.00 -0.52 0.00 0.00 57.07 56.12 3ixa s TYR 113 Cb -0.10 0.04 0.18 0.00 0.38 0.00 0.00 41.96 42.46 3ixa s TYR 113 CO 0.02 -0.55 0.78 -1.58 -1.52 0.00 0.00 175.55 172.70 3ixa s HIS 114 N -3.45 -1.17 0.03 -3.49 2.46 -1.26 -1.86 115.29 106.55 3ixa s HIS 114 Ca 0.01 1.36 0.05 0.00 0.47 0.00 0.00 55.06 56.95 3ixa s HIS 114 Cb 0.03 0.45 -0.02 0.00 -0.13 0.00 0.00 32.58 32.91 3ixa s HIS 114 CO -0.09 -0.63 -0.16 -0.65 -2.47 0.00 0.00 174.74 170.74 3ixa s GLN 115 N 2.86 1.11 -0.00 2.88 -0.21 -0.03 -1.29 119.66 124.97 3ixa s GLN 115 Ca 0.10 -0.73 0.02 0.00 0.02 0.00 0.00 55.36 54.77 3ixa s GLN 115 Cb -0.12 -1.13 -0.01 0.00 1.00 0.00 0.00 33.01 32.75 3ixa s GLN 115 CO -0.17 0.29 -0.07 -0.47 -2.12 0.00 0.00 175.29 172.75 3ixa s TYR 116 N -0.69 0.59 0.11 0.91 6.14 0.29 -1.25 117.35 123.45 3ixa s TYR 116 Ca 0.04 -0.14 0.05 0.00 0.64 0.00 0.00 57.07 57.67 3ixa s TYR 116 Cb -0.07 -0.38 -0.04 0.00 0.42 0.00 0.00 41.96 41.89 3ixa s TYR 116 CO 0.01 -0.01 -0.13 0.00 0.64 0.00 0.00 175.55 176.05 3ixa s ALA 117 N -0.24 1.41 -0.10 3.97 0.00 0.75 -0.93 121.76 126.62 3ixa s ALA 117 Ca 0.02 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.72 3ixa s ALA 117 Cb -0.03 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.05 3ixa s ALA 117 CO -0.00 0.08 -0.08 -0.47 0.00 0.00 0.00 175.76 175.30 3ixa s TYR 118 N -2.12 1.38 -1.49 0.00 5.04 -0.88 -1.40 117.35 117.89 3ixa s TYR 118 Ca 0.07 -0.64 -0.12 0.00 -2.44 0.00 0.00 57.07 53.94 3ixa s TYR 118 Cb -0.05 -1.15 0.06 0.00 0.35 0.00 0.00 41.96 41.18 3ixa s TYR 118 CO 0.02 -0.45 1.01 -0.25 -1.34 0.00 0.00 175.55 174.55 3ixa n ASP 119 N 4.73 -5.27 0.00 4.32 8.00 0.26 -2.35 116.55 126.25 3ixa n ASP 119 Ca -0.14 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.67 3ixa n ASP 119 Cb 0.50 -4.19 0.00 0.00 -0.02 0.00 0.00 41.12 37.41 3ixa n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ixa n GLY 120 N -1.75 0.50 3.45 0.44 0.00 -1.26 -5.01 105.19 101.55 3ixa n GLY 120 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3ixa n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ixa s LYS 121 N -0.39 2.24 0.11 1.61 2.20 -0.99 -5.09 119.74 119.44 3ixa s LYS 121 Ca 0.00 -0.87 -0.36 0.00 -0.36 0.00 0.00 55.97 54.39 3ixa s LYS 121 Cb 0.00 -2.25 -0.17 0.00 -1.51 0.00 0.00 37.83 33.90 3ixa s LYS 121 CO 0.00 0.57 1.25 -0.25 -0.36 0.00 0.00 175.35 176.56 3ixa n ASP 122 N 1.90 1.36 0.00 1.43 10.43 -1.26 -2.07 116.55 128.34 3ixa n ASP 122 Ca -0.16 1.13 -0.02 0.00 2.57 0.00 0.00 54.79 58.30 3ixa n ASP 122 Cb 0.52 -1.17 -0.01 0.00 1.84 0.00 0.00 41.12 42.30 3ixa n ASP 122 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ixa n TYR 123 N 2.06 0.00 -3.80 1.24 9.36 -0.11 -4.73 117.16 121.18 3ixa n TYR 123 Ca 0.17 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.28 3ixa n TYR 123 Cb 0.20 -0.14 -0.08 0.00 -0.63 0.00 0.00 39.34 38.69 3ixa n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3ixa s ILE 124 N -2.05 0.08 -0.16 2.97 2.07 -1.08 -1.15 121.20 121.89 3ixa s ILE 124 Ca -0.08 -0.67 -0.19 0.00 -1.41 0.00 0.00 60.65 58.30 3ixa s ILE 124 Cb 0.01 -0.74 0.05 0.00 0.13 0.00 0.00 42.46 41.91 3ixa s ILE 124 CO 0.12 -0.37 0.51 0.00 -1.91 0.00 0.00 174.94 173.29 3ixa s ALA 125 N -1.95 -1.28 0.04 1.50 0.00 -0.78 -0.55 121.76 118.73 3ixa s ALA 125 Ca -0.09 1.31 -0.26 0.00 0.00 0.00 0.00 51.96 52.92 3ixa s ALA 125 Cb -0.03 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 3ixa s ALA 125 CO -0.00 -0.26 0.82 -1.17 0.00 0.00 0.00 175.76 175.15 3ixa s LEU 126 N -0.09 4.44 0.85 0.00 2.96 -0.41 -0.44 118.68 125.99 3ixa s LEU 126 Ca -0.03 1.52 -0.12 0.00 -0.22 0.00 0.00 54.13 55.28 3ixa s LEU 126 Cb -0.03 -3.33 0.10 0.00 0.50 0.00 0.00 46.19 43.43 3ixa s LEU 126 CO 0.02 -0.04 1.15 -0.54 -1.32 0.00 0.00 176.35 175.62 3ixa s LYS 127 N 0.15 1.68 0.54 1.98 1.02 0.83 -4.60 119.74 121.34 3ixa s LYS 127 Ca 0.42 0.23 0.21 0.00 0.02 0.00 0.00 55.97 56.85 3ixa s LYS 127 Cb -0.21 -1.91 1.45 0.00 -0.52 0.00 0.00 37.83 36.64 3ixa s LYS 127 CO 0.24 -1.82 2.18 0.93 -0.92 0.00 0.00 175.35 175.97 3ixa h GLU 128 N -1.22 0.00 0.00 1.68 4.39 -1.87 -0.82 114.58 116.73 3ixa h GLU 128 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3ixa h GLU 128 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3ixa h GLU 128 CO 0.64 0.01 0.00 -0.40 -1.16 0.00 0.00 179.01 178.10 3ixa n ASP 129 N -4.28 0.00 -1.97 1.42 5.68 -1.26 -4.79 116.55 111.34 3ixa n ASP 129 Ca -0.03 0.21 -0.20 0.00 -0.50 0.00 0.00 54.79 54.26 3ixa n ASP 129 Cb 0.10 -0.35 -0.05 0.00 -1.14 0.00 0.00 41.12 39.68 3ixa n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3ixa n LEU 130 N -1.35 -1.69 0.00 -2.12 4.77 -0.31 -4.75 117.00 111.55 3ixa n LEU 130 Ca 0.06 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 3ixa n LEU 130 Cb 0.12 -2.86 0.00 0.00 -2.33 0.00 0.00 43.42 38.35 3ixa n LEU 130 CO 0.11 -0.67 -0.20 -1.14 -1.33 0.00 0.00 177.39 174.16 3ixa n ARG 131 N -2.66 0.00 -3.71 3.23 0.63 -1.26 -4.73 116.66 108.16 3ixa n ARG 131 Ca -0.22 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.34 3ixa n ARG 131 Cb 0.68 -0.59 -0.07 0.00 0.45 0.00 0.00 32.46 32.93 3ixa n ARG 131 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3ixa s SER 132 N -3.74 6.44 -0.06 6.15 1.04 -1.26 -4.90 113.70 117.36 3ixa s SER 132 Ca 0.00 0.52 -0.04 0.00 0.48 0.00 0.00 55.95 56.91 3ixa s SER 132 Cb 0.00 -2.13 -0.04 0.00 0.10 0.00 0.00 66.02 63.95 3ixa s SER 132 CO 0.00 0.28 0.14 0.26 0.98 0.00 0.00 173.24 174.90 3ixa s TRP 133 N -0.43 3.50 -0.32 5.02 0.52 -1.26 -0.12 118.94 125.84 3ixa s TRP 133 Ca 0.15 0.39 -0.13 0.00 0.02 0.00 0.00 56.10 56.54 3ixa s TRP 133 Cb -0.13 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.31 3ixa s TRP 133 CO 0.04 0.66 0.24 0.99 0.02 0.00 0.00 176.95 178.90 3ixa s THR 134 N -1.16 5.28 -0.15 2.01 2.01 0.42 -4.93 115.64 119.11 3ixa s THR 134 Ca 0.21 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 62.08 3ixa s THR 134 Cb -0.12 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 3ixa s THR 134 CO 0.11 0.05 0.01 0.00 -0.69 0.00 0.00 174.62 174.10 3ixa s ALA 135 N 1.77 3.21 0.10 7.40 0.00 -1.26 -1.87 121.76 131.11 3ixa s ALA 135 Ca 0.07 -0.78 -0.19 0.00 0.00 0.00 0.00 51.96 51.06 3ixa s ALA 135 Cb -0.17 -1.69 -0.07 0.00 0.00 0.00 0.00 23.12 21.20 3ixa s ALA 135 CO 0.11 0.27 1.63 0.00 0.00 0.00 0.00 175.76 177.76 3ixa h ALA 136 N 6.43 0.33 -2.90 0.00 0.00 -1.42 -3.47 119.26 118.23 3ixa h ALA 136 Ca -0.37 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3ixa h ALA 136 Cb 1.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3ixa h ALA 136 CO 0.64 -0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.44 3ixa n ASP 137 N -4.76 0.00 -0.11 0.00 5.68 -1.26 -5.02 116.55 111.08 3ixa n ASP 137 Ca -0.03 -0.24 -0.13 0.00 -0.50 0.00 0.00 54.79 53.88 3ixa n ASP 137 Cb 0.14 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.09 3ixa n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3ixa h MET 138 N 0.00 0.84 -0.32 0.11 2.86 -2.00 -2.54 114.93 113.88 3ixa h MET 138 Ca 0.00 -0.44 0.05 0.00 -2.06 0.00 0.00 59.70 57.25 3ixa h MET 138 Cb 0.00 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.63 3ixa h MET 138 CO 0.00 1.08 0.01 0.00 1.06 0.00 0.00 176.91 179.06 3ixa h ALA 139 N 0.74 0.29 0.00 6.32 0.00 -1.97 -2.39 119.26 122.25 3ixa h ALA 139 Ca 0.05 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3ixa h ALA 139 Cb 0.93 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3ixa h ALA 139 CO 0.09 -0.40 -0.08 0.00 0.00 0.00 0.00 179.25 178.86 3ixa h ALA 140 N 1.27 1.08 -0.24 0.00 0.00 -1.83 -2.75 119.26 116.80 3ixa h ALA 140 Ca 0.15 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3ixa h ALA 140 Cb 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ixa h ALA 140 CO -0.25 0.10 -0.38 1.96 0.00 0.00 0.00 179.25 180.68 3ixa h GLN 141 N 0.00 0.53 -0.39 0.00 1.08 -1.00 0.30 115.11 115.62 3ixa h GLN 141 Ca -0.00 -0.26 0.04 0.00 -1.45 0.00 0.00 58.65 56.98 3ixa h GLN 141 Cb 0.43 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.82 3ixa h GLN 141 CO 0.01 0.83 0.16 1.15 -0.95 0.00 0.00 178.83 180.02 3ixa h THR 142 N 0.44 0.92 -0.35 -0.54 2.02 -1.28 -2.07 112.91 112.05 3ixa h THR 142 Ca 0.04 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.12 3ixa h THR 142 Cb 0.86 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3ixa h THR 142 CO 0.07 0.06 0.20 0.74 0.37 0.00 0.00 175.52 176.97 3ixa h THR 143 N 0.33 1.04 -0.49 3.16 2.02 -1.37 -2.79 112.91 114.81 3ixa h THR 143 Ca 0.17 -0.14 0.10 0.00 0.77 0.00 0.00 66.41 67.31 3ixa h THR 143 Cb 0.13 0.59 -0.09 0.00 -1.74 0.00 0.00 68.15 67.04 3ixa h THR 143 CO -0.16 0.08 -0.05 0.50 0.37 0.00 0.00 175.52 176.25 3ixa h LYS 144 N 0.42 0.06 -0.25 6.66 3.64 -0.72 -0.17 116.57 126.21 3ixa h LYS 144 Ca 0.14 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3ixa h LYS 144 Cb -0.00 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3ixa h LYS 144 CO -0.06 0.04 0.16 0.45 -2.27 0.00 0.00 179.45 177.77 3ixa h HIS 145 N 0.06 0.32 -0.18 1.91 3.86 -1.23 0.34 115.15 120.23 3ixa h HIS 145 Ca 0.24 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.51 3ixa h HIS 145 Cb 0.37 -0.11 -0.07 0.00 1.06 0.00 0.00 27.41 28.67 3ixa h HIS 145 CO -0.36 0.22 -0.27 0.87 0.86 0.00 0.00 177.93 179.25 3ixa h LYS 146 N 0.33 -0.30 0.00 2.45 1.57 -1.20 -3.17 116.57 116.24 3ixa h LYS 146 Ca 0.09 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3ixa h LYS 146 Cb -0.02 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3ixa h LYS 146 CO -0.02 -0.20 0.00 -1.49 -0.57 0.00 0.00 179.45 177.17 3ixa h TRP 147 N -0.31 0.00 -0.18 -1.35 4.06 -0.67 -2.92 115.95 114.58 3ixa h TRP 147 Ca 0.12 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.07 3ixa h TRP 147 Cb 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.65 3ixa h TRP 147 CO -0.39 0.00 0.00 -0.85 -3.56 0.00 0.00 178.44 173.64 3ixa n GLU 148 N -2.47 2.03 -1.71 0.49 0.28 0.08 -3.71 120.64 115.62 3ixa n GLU 148 Ca 0.05 -1.53 -0.43 0.00 -0.16 0.00 0.00 57.16 55.08 3ixa n GLU 148 Cb 0.44 -1.45 -0.03 0.00 1.43 0.00 0.00 31.44 31.82 3ixa n GLU 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3ixa n ALA 149 N 0.79 2.40 0.03 -1.84 0.00 -1.11 -4.77 120.51 116.01 3ixa n ALA 149 Ca 0.17 0.41 0.20 0.00 0.00 0.00 0.00 53.44 54.22 3ixa n ALA 149 Cb 0.45 -2.47 0.71 0.00 0.00 0.00 0.00 19.45 18.15 3ixa n ALA 149 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3ixa h PRO 150 N 6.12 0.00 -0.19 0.00 0.13 -1.92 -1.50 132.00 134.65 3ixa h PRO 150 Ca -0.44 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.55 3ixa h PRO 150 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3ixa h PRO 150 CO 0.90 0.00 -0.41 1.25 -0.23 0.00 0.00 178.00 179.51 3ixa h HIS 151 N 0.00 0.78 -0.09 1.56 2.76 -1.96 -2.16 115.15 116.05 3ixa h HIS 151 Ca 0.23 -0.29 -0.12 0.00 -2.20 0.00 0.00 60.37 57.99 3ixa h HIS 151 Cb 0.97 -0.14 0.01 0.00 1.55 0.00 0.00 27.41 29.79 3ixa h HIS 151 CO 0.00 1.05 -0.40 0.28 -1.30 0.00 0.00 177.93 177.56 3ixa h VAL 152 N 0.29 1.39 -0.92 5.26 2.07 -1.62 -2.69 116.25 120.03 3ixa h VAL 152 Ca 0.00 -1.76 0.01 0.00 0.82 0.00 0.00 66.70 65.77 3ixa h VAL 152 Cb 1.02 2.25 -0.05 0.00 -1.52 0.00 0.00 31.29 32.99 3ixa h VAL 152 CO 0.09 0.52 0.61 0.00 0.02 0.00 0.00 177.57 178.81 3ixa h ALA 153 N 0.45 1.17 -0.75 1.67 0.00 -1.36 -2.52 119.26 117.93 3ixa h ALA 153 Ca -0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3ixa h ALA 153 Cb 1.05 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3ixa h ALA 153 CO 0.08 0.54 0.26 1.49 0.00 0.00 0.00 179.25 181.63 3ixa h GLU 154 N 1.23 1.14 -0.75 0.00 4.57 -1.34 -1.32 114.58 118.10 3ixa h GLU 154 Ca 0.34 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 3ixa h GLU 154 Cb -0.12 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.26 3ixa h GLU 154 CO -0.08 0.95 0.45 1.96 -1.18 0.00 0.00 179.01 181.11 3ixa h GLN 155 N 1.09 1.03 -0.26 1.92 4.20 -1.12 -0.08 115.11 121.89 3ixa h GLN 155 Ca 0.24 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 3ixa h GLN 155 Cb 0.27 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3ixa h GLN 155 CO -0.01 0.73 0.03 1.25 -0.67 0.00 0.00 178.83 180.16 3ixa h LEU 156 N 1.03 0.43 -0.03 1.46 5.85 -1.40 -1.25 115.31 121.42 3ixa h LEU 156 Ca 0.27 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3ixa h LEU 156 Cb -0.03 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3ixa h LEU 156 CO -0.05 0.60 -0.16 -0.09 -0.34 0.00 0.00 178.44 178.40 3ixa h ARG 157 N 0.25 -0.24 -0.03 1.25 2.43 -1.04 -0.77 114.38 116.22 3ixa h ARG 157 Ca 0.08 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3ixa h ARG 157 Cb 0.36 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3ixa h ARG 157 CO 0.01 -0.16 -0.17 0.00 -1.51 0.00 0.00 179.97 178.13 3ixa h ALA 158 N 0.70 1.66 0.15 2.80 0.00 -0.97 -1.23 119.26 122.37 3ixa h ALA 158 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3ixa h ALA 158 Cb 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ixa h ALA 158 CO -0.17 0.25 -0.07 -0.92 0.00 0.00 0.00 179.25 178.34 3ixa h TYR 159 N 0.04 -0.19 -0.00 0.00 3.20 -0.61 -2.67 116.97 116.74 3ixa h TYR 159 Ca 0.01 -0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.66 3ixa h TYR 159 Cb 0.33 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 3ixa h TYR 159 CO 0.00 0.16 -0.90 -0.07 -1.64 0.00 0.00 178.16 175.71 3ixa h LEU 160 N -0.57 0.40 0.00 2.82 3.38 -0.63 0.46 115.31 121.17 3ixa h LEU 160 Ca -0.02 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3ixa h LEU 160 Cb 0.43 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3ixa h LEU 160 CO 0.03 1.11 -1.37 1.21 0.09 0.00 0.00 178.44 179.52 3ixa n GLU 161 N -3.71 0.54 0.00 1.13 2.13 -0.51 -4.19 120.64 116.03 3ixa n GLU 161 Ca -0.05 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.74 3ixa n GLU 161 Cb 0.81 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.87 3ixa n GLU 161 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ixa n GLY 162 N 1.26 0.18 0.22 8.31 0.00 -1.09 -4.74 105.19 109.32 3ixa n GLY 162 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 3ixa n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ixa h THR 163 N 0.00 0.96 -0.01 2.61 2.02 -1.05 -0.56 112.91 116.87 3ixa h THR 163 Ca 0.00 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.01 3ixa h THR 163 Cb 0.00 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 3ixa h THR 163 CO 0.00 0.10 -0.04 0.00 0.37 0.00 0.00 175.52 175.95 3ixa h VAL 165 N -0.06 0.85 -0.69 0.00 2.07 -1.63 -0.99 116.25 115.80 3ixa h VAL 165 Ca 0.02 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3ixa h VAL 165 Cb 0.09 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3ixa h VAL 165 CO -0.05 0.04 0.33 -0.33 0.02 0.00 0.00 177.57 177.58 3ixa h GLU 166 N 0.20 1.00 -0.03 1.57 5.08 -0.78 -2.26 114.58 119.36 3ixa h GLU 166 Ca 0.16 -0.15 -0.21 0.00 -1.00 0.00 0.00 59.36 58.16 3ixa h GLU 166 Cb 0.16 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3ixa h GLU 166 CO -0.19 0.79 -0.86 -1.49 -1.00 0.00 0.00 179.01 176.25 3ixa h TRP 167 N 0.97 0.58 -0.32 4.33 4.06 -1.05 -1.96 115.95 122.57 3ixa h TRP 167 Ca 0.24 -0.29 0.05 0.00 2.06 0.00 0.00 58.89 60.95 3ixa h TRP 167 Cb 0.12 -0.07 -0.05 0.00 -1.00 0.00 0.00 29.16 28.15 3ixa h TRP 167 CO 0.01 1.09 0.01 1.25 -3.56 0.00 0.00 178.44 177.24 3ixa h LEU 168 N 0.25 -0.10 -0.34 -4.49 5.85 -1.03 -0.63 115.31 114.82 3ixa h LEU 168 Ca -0.06 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3ixa h LEU 168 Cb 1.47 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 3ixa h LEU 168 CO 0.15 -0.01 0.20 0.03 -0.34 0.00 0.00 178.44 178.46 3ixa h ARG 169 N 0.11 0.40 -0.57 1.25 3.08 -1.37 0.14 114.38 117.41 3ixa h ARG 169 Ca 0.15 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.28 3ixa h ARG 169 Cb 0.20 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.08 3ixa h ARG 169 CO -0.25 0.26 0.16 -0.09 -1.07 0.00 0.00 179.97 178.99 3ixa h ARG 170 N 0.41 0.30 -0.47 0.04 2.43 -1.15 -1.16 114.38 114.78 3ixa h ARG 170 Ca 0.13 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3ixa h ARG 170 Cb -0.01 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3ixa h ARG 170 CO -0.06 0.20 0.12 1.88 -1.51 0.00 0.00 179.97 180.60 3ixa h TYR 171 N 0.31 0.79 -0.75 2.20 0.05 -0.67 0.12 116.97 119.02 3ixa h TYR 171 Ca 0.29 -0.09 0.07 0.00 0.05 0.00 0.00 58.73 59.05 3ixa h TYR 171 Cb 0.39 -0.22 -0.06 0.00 1.01 0.00 0.00 36.73 37.84 3ixa h TYR 171 CO -0.21 0.71 0.43 -0.07 -1.05 0.00 0.00 178.16 177.97 3ixa h LEU 172 N 0.64 0.63 0.09 3.88 3.38 -0.48 0.11 115.31 123.55 3ixa h LEU 172 Ca 0.15 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3ixa h LEU 172 Cb 0.32 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3ixa h LEU 172 CO 0.00 0.38 -0.04 -0.33 0.09 0.00 0.00 178.44 178.54 3ixa h GLU 173 N 0.76 -0.11 -0.03 1.13 5.08 -1.05 -2.59 114.58 117.77 3ixa h GLU 173 Ca 0.35 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.64 3ixa h GLU 173 Cb 0.26 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3ixa h GLU 173 CO -0.21 0.20 -0.35 -0.91 -1.00 0.00 0.00 179.01 176.74 3ixa h ASN 174 N -0.44 0.05 -0.66 1.42 4.21 -0.78 -2.95 115.58 116.44 3ixa h ASN 174 Ca -0.01 -0.02 -0.42 0.00 1.21 0.00 0.00 56.30 57.06 3ixa h ASN 174 Cb 0.37 -0.01 -0.25 0.00 -1.12 0.00 0.00 38.32 37.31 3ixa h ASN 174 CO 0.02 0.40 0.01 0.61 -1.29 0.00 0.00 177.43 177.18 3ixa n GLY 175 N -0.48 5.47 0.31 2.83 0.00 0.36 -4.87 105.19 108.82 3ixa n GLY 175 Ca -0.02 -1.82 0.04 0.00 0.00 0.00 0.00 46.02 44.22 3ixa n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ixa h LYS 176 N 1.52 0.01 -0.03 1.61 3.64 -1.28 0.85 116.57 122.89 3ixa h LYS 176 Ca 0.39 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.67 3ixa h LYS 176 Cb 1.55 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.36 3ixa h LYS 176 CO 0.82 0.00 -0.42 1.49 -2.27 0.00 0.00 179.45 179.08 3ixa h GLU 177 N 0.01 0.06 0.03 1.90 4.81 -1.89 0.28 114.58 119.77 3ixa h GLU 177 Ca 0.42 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.43 3ixa h GLU 177 Cb 0.66 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 3ixa h GLU 177 CO -0.87 0.47 -0.99 1.15 -0.73 0.00 0.00 179.01 178.04 3ixa h THR 178 N 0.05 1.16 0.02 0.32 2.02 -1.90 -3.43 112.91 111.16 3ixa h THR 178 Ca 0.00 -2.28 -0.34 0.00 0.77 0.00 0.00 66.41 64.56 3ixa h THR 178 Cb 0.76 2.65 -0.05 0.00 -1.74 0.00 0.00 68.15 69.76 3ixa h THR 178 CO 0.06 0.49 -2.07 0.18 0.37 0.00 0.00 175.52 174.55 3ixa n LEU 179 N -4.33 1.27 -2.69 2.58 4.77 0.26 -4.11 117.00 114.75 3ixa n LEU 179 Ca -0.25 0.18 -0.31 0.00 -0.03 0.00 0.00 56.01 55.59 3ixa n LEU 179 Cb 0.69 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.61 3ixa n LEU 179 CO 0.29 0.59 1.62 0.00 -1.33 0.00 0.00 177.39 178.56 3ixa n GLN 180 N -3.08 2.71 -4.21 3.23 6.02 0.08 -4.92 117.38 117.20 3ixa n GLN 180 Ca -0.29 -2.78 -0.18 0.00 -0.01 0.00 0.00 57.00 53.75 3ixa n GLN 180 Cb 1.07 -2.21 -0.11 0.00 1.02 0.00 0.00 30.24 30.01 3ixa n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3ixa s ARG 181 N -2.36 0.95 -0.10 -1.09 1.70 -1.26 -4.91 118.95 111.88 3ixa s ARG 181 Ca 0.56 -1.15 0.00 0.00 -0.47 0.00 0.00 55.73 54.67 3ixa s ARG 181 Cb 0.38 -0.84 0.02 0.00 -0.57 0.00 0.00 34.95 33.94 3ixa s ARG 181 CO -0.26 0.17 -0.08 0.99 -1.08 0.00 0.00 175.30 175.03 3ixa s THR 182 N -1.93 0.97 -0.28 4.99 2.01 -1.26 -4.60 115.64 115.54 3ixa s THR 182 Ca 0.05 -0.28 -0.05 0.00 0.31 0.00 0.00 61.69 61.72 3ixa s THR 182 Cb -0.06 -0.98 0.01 0.00 0.01 0.00 0.00 72.50 71.48 3ixa s THR 182 CO 0.02 0.35 0.04 -1.81 -0.69 0.00 0.00 174.62 172.53 3ixa s ASP 183 N 1.48 4.87 0.28 3.53 1.01 0.48 -4.95 116.67 123.37 3ixa s ASP 183 Ca 0.00 -0.70 -0.29 0.00 0.71 0.00 0.00 52.55 52.27 3ixa s ASP 183 Cb -0.13 -1.82 -0.10 0.00 1.01 0.00 0.00 42.92 41.88 3ixa s ASP 183 CO -0.05 -0.15 1.34 0.00 0.21 0.00 0.00 175.17 176.51 3ixa s ALA 184 N 1.46 3.54 0.36 5.23 0.00 -1.26 -1.47 121.76 129.62 3ixa s ALA 184 Ca 0.02 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.94 3ixa s ALA 184 Cb -0.17 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.35 3ixa s ALA 184 CO 0.00 -0.63 1.50 -1.25 0.00 0.00 0.00 175.76 175.38 3ixa s PRO 185 N -1.00 4.13 -0.20 0.00 0.04 -1.26 -4.54 135.00 132.16 3ixa s PRO 185 Ca 0.54 2.55 -0.22 0.00 0.04 0.00 0.00 61.00 63.91 3ixa s PRO 185 Cb -0.39 -2.99 -0.02 0.00 0.04 0.00 0.00 34.50 31.14 3ixa s PRO 185 CO 0.47 -0.54 0.69 0.15 0.04 0.00 0.00 177.00 177.81 3ixa s LYS 186 N -1.73 4.21 0.12 4.56 1.02 0.47 -4.86 119.74 123.53 3ixa s LYS 186 Ca 0.55 0.73 0.09 0.00 0.02 0.00 0.00 55.97 57.36 3ixa s LYS 186 Cb -0.46 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.21 3ixa s LYS 186 CO 0.59 -0.31 -0.18 0.95 -0.92 0.00 0.00 175.35 175.48 3ixa s THR 187 N 2.14 2.84 0.24 2.17 -4.23 -1.26 -0.27 115.64 117.27 3ixa s THR 187 Ca 0.31 -1.52 -0.22 0.00 -1.18 0.00 0.00 61.69 59.08 3ixa s THR 187 Cb -0.16 -2.30 0.03 0.00 1.34 0.00 0.00 72.50 71.41 3ixa s THR 187 CO 0.10 0.09 0.73 -1.38 -0.54 0.00 0.00 174.62 173.62 3ixa s HIS 188 N -1.17 -0.24 0.16 3.99 -3.43 -1.11 -5.01 115.29 108.48 3ixa s HIS 188 Ca 0.18 -0.16 0.11 0.00 -0.80 0.00 0.00 55.06 54.39 3ixa s HIS 188 Cb -0.10 0.68 -0.04 0.00 -1.43 0.00 0.00 32.58 31.68 3ixa s HIS 188 CO 0.10 -1.12 -0.25 -1.64 -2.00 0.00 0.00 174.74 169.83 3ixa s MET 189 N -3.81 1.44 0.24 -0.38 -1.94 -1.26 -0.74 119.30 112.85 3ixa s MET 189 Ca 0.09 -1.44 0.07 0.00 -1.71 0.00 0.00 55.69 52.71 3ixa s MET 189 Cb -0.05 -1.81 -0.05 0.00 2.01 0.00 0.00 34.83 34.93 3ixa s MET 189 CO 0.03 0.41 -0.10 0.95 -0.01 0.00 0.00 175.02 176.30 3ixa s THR 190 N -1.45 1.68 -0.04 2.05 -4.23 0.95 -4.94 115.64 109.65 3ixa s THR 190 Ca 0.17 -2.17 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 3ixa s THR 190 Cb -0.09 -2.26 0.02 0.00 1.34 0.00 0.00 72.50 71.51 3ixa s THR 190 CO 0.08 -0.43 -0.05 -2.28 -0.54 0.00 0.00 174.62 171.39 3ixa s HIS 191 N -3.00 0.79 -0.02 3.99 5.04 -1.26 -0.76 115.29 120.07 3ixa s HIS 191 Ca 0.26 -0.22 -0.00 0.00 -1.54 0.00 0.00 55.06 53.56 3ixa s HIS 191 Cb 0.02 -0.67 0.03 0.00 0.04 0.00 0.00 32.58 32.00 3ixa s HIS 191 CO 0.10 -0.17 0.04 -1.01 -2.34 0.00 0.00 174.74 171.35 3ixa s HIS 192 N 0.76 0.02 -0.12 3.88 3.76 -0.42 -4.98 115.29 118.19 3ixa s HIS 192 Ca -0.11 0.16 -0.29 0.00 -0.15 0.00 0.00 55.06 54.66 3ixa s HIS 192 Cb -0.14 -0.25 -0.02 0.00 1.11 0.00 0.00 32.58 33.28 3ixa s HIS 192 CO 0.01 -0.10 1.28 0.00 -0.85 0.00 0.00 174.74 175.07 3ixa s ALA 193 N 1.17 3.61 -0.21 -1.40 0.00 -1.26 0.29 121.76 123.96 3ixa s ALA 193 Ca -0.08 0.56 0.22 0.00 0.00 0.00 0.00 51.96 52.65 3ixa s ALA 193 Cb -0.13 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 3ixa s ALA 193 CO -0.03 -1.06 1.00 1.33 0.00 0.00 0.00 175.76 176.99 3ixa n VAL 194 N 5.14 0.71 -3.48 0.00 0.24 -0.06 -4.92 118.33 115.95 3ixa n VAL 194 Ca 0.13 -0.57 -0.03 0.00 -2.04 0.00 0.00 64.34 61.83 3ixa n VAL 194 Cb 0.45 -0.40 -0.00 0.00 -1.47 0.00 0.00 33.84 32.41 3ixa n VAL 194 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3ixa n SER 195 N -2.71 -0.46 -0.43 -1.34 3.41 -0.95 -4.97 113.62 106.17 3ixa n SER 195 Ca -0.02 -1.46 0.08 0.00 -0.26 0.00 0.00 58.87 57.21 3ixa n SER 195 Cb 0.60 0.80 0.31 0.00 -0.26 0.00 0.00 64.21 65.66 3ixa n SER 195 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ixa n ASP 196 N -1.63 1.26 0.00 4.04 5.75 -1.26 -3.56 116.55 121.15 3ixa n ASP 196 Ca -0.01 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 3ixa n ASP 196 Cb 0.15 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 3ixa n ASP 196 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ixa n HIS 197 N 0.10 0.00 -3.94 2.11 1.44 -1.26 -4.93 115.22 108.74 3ixa n HIS 197 Ca 0.13 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.74 3ixa n HIS 197 Cb 0.24 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.23 3ixa n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3ixa s GLU 198 N -0.24 0.25 0.00 -1.40 2.02 -1.23 -1.19 118.70 116.91 3ixa s GLU 198 Ca 0.00 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 54.55 3ixa s GLU 198 Cb 0.00 0.09 -0.00 0.00 0.10 0.00 0.00 34.13 34.32 3ixa s GLU 198 CO 0.00 -0.04 -0.01 0.00 0.02 0.00 0.00 175.26 175.23 3ixa s ALA 199 N -1.10 0.07 -0.20 5.21 0.00 0.60 -0.88 121.76 125.46 3ixa s ALA 199 Ca -0.12 -0.12 -0.21 0.00 0.00 0.00 0.00 51.96 51.50 3ixa s ALA 199 Cb -0.07 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 3ixa s ALA 199 CO -0.01 -0.02 0.65 0.99 0.00 0.00 0.00 175.76 177.38 3ixa s THR 200 N -0.26 5.00 -0.19 0.00 2.01 0.14 0.83 115.64 123.17 3ixa s THR 200 Ca -0.02 1.22 -0.07 0.00 0.31 0.00 0.00 61.69 63.13 3ixa s THR 200 Cb -0.02 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 3ixa s THR 200 CO -0.00 0.09 0.06 -0.76 -0.69 0.00 0.00 174.62 173.32 3ixa s LEU 201 N 2.02 3.74 -0.12 4.42 1.43 0.14 -1.30 118.68 129.01 3ixa s LEU 201 Ca 0.29 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 3ixa s LEU 201 Cb -0.16 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.13 3ixa s LEU 201 CO 0.10 0.14 -0.13 -0.60 0.23 0.00 0.00 176.35 176.09 3ixa s ARG 202 N 0.58 2.02 -0.29 1.70 3.52 0.06 -0.91 118.95 125.63 3ixa s ARG 202 Ca 0.03 -0.47 -0.16 0.00 -0.13 0.00 0.00 55.73 55.00 3ixa s ARG 202 Cb -0.13 -1.83 -0.03 0.00 -1.56 0.00 0.00 34.95 31.41 3ixa s ARG 202 CO 0.01 -0.15 0.41 0.00 -0.81 0.00 0.00 175.30 174.76 3ixa s TRP 204 N 2.15 3.01 -0.14 0.00 0.52 0.08 -1.69 118.94 122.87 3ixa s TRP 204 Ca 0.16 0.07 -0.00 0.00 0.02 0.00 0.00 56.10 56.35 3ixa s TRP 204 Cb -0.16 -1.71 0.03 0.00 -1.15 0.00 0.00 33.47 30.48 3ixa s TRP 204 CO 0.11 0.40 -0.10 0.00 0.02 0.00 0.00 176.95 177.37 3ixa s ALA 205 N -0.91 1.62 0.19 0.98 0.00 -0.12 -2.76 121.76 120.76 3ixa s ALA 205 Ca 0.15 -0.78 0.11 0.00 0.00 0.00 0.00 51.96 51.43 3ixa s ALA 205 Cb -0.11 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 3ixa s ALA 205 CO 0.04 -0.47 -0.19 -0.51 0.00 0.00 0.00 175.76 174.63 3ixa s LEU 206 N 1.58 2.62 -1.31 0.00 1.43 0.63 -1.45 118.68 122.18 3ixa s LEU 206 Ca 0.04 -0.78 -0.08 0.00 -1.03 0.00 0.00 54.13 52.28 3ixa s LEU 206 Cb -0.13 -1.33 0.01 0.00 0.03 0.00 0.00 46.19 44.77 3ixa s LEU 206 CO -0.09 0.11 1.04 -1.20 0.23 0.00 0.00 176.35 176.44 3ixa n SER 207 N 0.14 -6.11 -4.74 2.29 7.64 -0.93 -0.40 113.62 111.50 3ixa n SER 207 Ca -0.12 -0.47 -0.29 0.00 1.01 0.00 0.00 58.87 59.00 3ixa n SER 207 Cb 0.56 -4.77 -0.07 0.00 -1.01 0.00 0.00 64.21 58.93 3ixa n SER 207 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3ixa s PHE 208 N -3.28 3.09 -0.19 1.43 -0.12 -1.08 -4.53 117.98 113.29 3ixa s PHE 208 Ca 0.52 0.00 -0.13 0.00 -0.05 0.00 0.00 56.93 57.27 3ixa s PHE 208 Cb -0.23 -1.55 0.06 0.00 -0.63 0.00 0.00 43.02 40.67 3ixa s PHE 208 CO 0.64 0.51 0.48 -0.47 -0.05 0.00 0.00 175.22 176.33 3ixa s TYR 209 N -1.48 -0.65 1.20 3.49 5.04 -0.54 -0.57 117.35 123.85 3ixa s TYR 209 Ca 0.28 1.42 -0.18 0.00 -2.44 0.00 0.00 57.07 56.15 3ixa s TYR 209 Cb -0.11 0.29 0.28 0.00 0.35 0.00 0.00 41.96 42.77 3ixa s TYR 209 CO 0.21 -0.34 1.07 -1.25 -1.34 0.00 0.00 175.55 173.90 3ixa s PRO 210 N 1.02 -1.22 0.33 4.97 0.04 -1.26 -0.39 135.00 138.49 3ixa s PRO 210 Ca -0.06 0.13 0.10 0.00 0.04 0.00 0.00 61.00 61.22 3ixa s PRO 210 Cb -0.06 -1.58 0.56 0.00 0.04 0.00 0.00 34.50 33.46 3ixa s PRO 210 CO -0.09 -3.75 1.74 0.00 0.04 0.00 0.00 177.00 174.94 3ixa h ALA 211 N -2.62 1.21 -2.16 8.56 0.00 -1.96 -3.45 119.26 118.85 3ixa h ALA 211 Ca -0.48 -0.42 -0.59 0.00 0.00 0.00 0.00 54.91 53.43 3ixa h ALA 211 Cb 1.31 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.05 3ixa h ALA 211 CO 0.39 0.58 1.10 -1.91 0.00 0.00 0.00 179.25 179.40 3ixa n GLU 212 N -4.00 2.37 -3.64 0.00 4.07 -1.26 -4.97 120.64 113.21 3ixa n GLU 212 Ca -0.02 0.87 -0.15 0.00 -0.06 0.00 0.00 57.16 57.80 3ixa n GLU 212 Cb 0.48 -2.73 -0.08 0.00 -0.06 0.00 0.00 31.44 29.05 3ixa n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3ixa s ILE 213 N 3.69 0.02 -0.11 6.31 2.07 -1.26 -4.64 121.20 127.28 3ixa s ILE 213 Ca 0.90 -0.13 0.03 0.00 -1.41 0.00 0.00 60.65 60.03 3ixa s ILE 213 Cb -0.62 -0.82 0.01 0.00 0.13 0.00 0.00 42.46 41.15 3ixa s ILE 213 CO 0.47 -0.07 -0.20 -0.89 -1.91 0.00 0.00 174.94 172.34 3ixa s THR 214 N -0.74 1.79 -0.13 4.00 2.01 -0.79 -5.00 115.64 116.77 3ixa s THR 214 Ca -0.08 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.07 3ixa s THR 214 Cb -0.03 -1.58 0.03 0.00 0.01 0.00 0.00 72.50 70.94 3ixa s THR 214 CO 0.05 0.50 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.20 3ixa s LEU 215 N 0.65 1.30 0.02 4.42 2.96 -1.26 -1.19 118.68 125.59 3ixa s LEU 215 Ca -0.13 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.35 3ixa s LEU 215 Cb -0.16 -0.83 -0.02 0.00 0.50 0.00 0.00 46.19 45.67 3ixa s LEU 215 CO 0.03 -0.16 -0.04 0.42 -1.32 0.00 0.00 176.35 175.29 3ixa s THR 216 N 1.70 0.18 -0.05 3.68 -4.23 -0.56 -4.94 115.64 111.43 3ixa s THR 216 Ca 0.03 -0.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 3ixa s THR 216 Cb -0.14 -0.35 -0.03 0.00 1.34 0.00 0.00 72.50 73.32 3ixa s THR 216 CO -0.08 -0.49 -0.04 0.26 -0.54 0.00 0.00 174.62 173.72 3ixa s TRP 217 N -1.51 2.99 0.07 3.99 0.52 -1.26 -0.62 118.94 123.11 3ixa s TRP 217 Ca -0.14 0.05 0.08 0.00 0.02 0.00 0.00 56.10 56.11 3ixa s TRP 217 Cb -0.10 -1.70 -0.03 0.00 -1.15 0.00 0.00 33.47 30.50 3ixa s TRP 217 CO -0.01 0.39 -0.23 -0.65 0.02 0.00 0.00 176.95 176.47 3ixa s GLN 218 N -1.05 1.41 -0.19 4.98 -0.21 0.62 -1.02 119.66 124.20 3ixa s GLN 218 Ca 0.14 -1.06 0.01 0.00 0.02 0.00 0.00 55.36 54.47 3ixa s GLN 218 Cb -0.11 -1.61 0.02 0.00 1.00 0.00 0.00 33.01 32.31 3ixa s GLN 218 CO 0.04 0.40 -0.18 0.50 -2.12 0.00 0.00 175.29 173.94 3ixa s ARG 219 N -1.43 2.99 -1.16 2.91 3.52 0.24 -1.08 118.95 124.93 3ixa s ARG 219 Ca 0.09 -0.84 -0.09 0.00 -0.13 0.00 0.00 55.73 54.75 3ixa s ARG 219 Cb -0.09 -2.64 0.01 0.00 -1.56 0.00 0.00 34.95 30.67 3ixa s ARG 219 CO 0.03 -0.23 0.18 -0.25 -0.81 0.00 0.00 175.30 174.21 3ixa n ASP 220 N 4.63 -0.55 0.00 -2.12 8.00 -0.03 -1.38 116.55 125.09 3ixa n ASP 220 Ca -0.20 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.26 3ixa n ASP 220 Cb 0.50 -1.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.32 3ixa n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ixa n GLY 221 N -2.15 2.33 3.79 0.44 0.00 -1.26 -5.02 105.19 103.31 3ixa n GLY 221 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 3ixa n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ixa s GLU 222 N -0.01 3.47 0.02 1.61 -1.05 -0.48 -5.02 118.70 117.25 3ixa s GLU 222 Ca 0.00 -0.23 -0.30 0.00 -0.15 0.00 0.00 54.97 54.29 3ixa s GLU 222 Cb 0.00 -3.12 -0.06 0.00 -0.44 0.00 0.00 34.13 30.50 3ixa s GLU 222 CO 0.00 0.65 1.48 -0.51 0.95 0.00 0.00 175.26 177.83 3ixa s ASP 223 N -0.69 6.77 -0.59 0.83 -0.00 -1.26 -0.59 116.67 121.14 3ixa s ASP 223 Ca 0.12 2.23 -0.03 0.00 -0.00 0.00 0.00 52.55 54.88 3ixa s ASP 223 Cb -0.12 -2.56 0.16 0.00 -0.00 0.00 0.00 42.92 40.40 3ixa s ASP 223 CO 0.03 -0.77 2.52 0.00 -0.00 0.00 0.00 175.17 176.94 3ixa n GLN 224 N 5.39 2.51 0.18 8.23 1.13 -0.19 -4.82 117.38 129.81 3ixa n GLN 224 Ca 0.14 -2.74 -0.14 0.00 -1.94 0.00 0.00 57.00 52.32 3ixa n GLN 224 Cb 0.43 -2.18 -0.08 0.00 0.11 0.00 0.00 30.24 28.51 3ixa n GLN 224 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ixa h THR 225 N 1.99 0.68 0.00 5.09 1.03 -1.91 -2.47 112.91 117.32 3ixa h THR 225 Ca 0.45 -0.45 0.00 0.00 -0.01 0.00 0.00 66.41 66.41 3ixa h THR 225 Cb 0.49 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 68.48 3ixa h THR 225 CO 1.07 0.09 0.00 0.00 -0.01 0.00 0.00 175.52 176.66 3ixa n GLN 226 N -5.18 0.07 -0.23 0.00 6.02 -1.26 -2.93 117.38 113.86 3ixa n GLN 226 Ca -0.10 0.24 0.10 0.00 -0.01 0.00 0.00 57.00 57.23 3ixa n GLN 226 Cb 0.26 -1.61 0.22 0.00 1.02 0.00 0.00 30.24 30.12 3ixa n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3ixa n ASP 227 N -1.73 3.36 -4.73 1.08 8.00 -1.07 -4.95 116.55 116.50 3ixa n ASP 227 Ca 0.04 -1.95 -0.35 0.00 0.71 0.00 0.00 54.79 53.24 3ixa n ASP 227 Cb 0.24 -0.30 -0.08 0.00 -0.02 0.00 0.00 41.12 40.95 3ixa n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ixa s THR 228 N -1.15 5.24 -0.20 -3.53 2.01 -0.95 -4.53 115.64 112.52 3ixa s THR 228 Ca 0.36 0.12 -0.19 0.00 0.31 0.00 0.00 61.69 62.29 3ixa s THR 228 Cb 0.20 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 3ixa s THR 228 CO 0.27 0.48 0.57 -0.70 -0.69 0.00 0.00 174.62 174.54 3ixa s GLU 229 N 0.10 4.20 -0.14 4.92 2.12 0.01 -4.92 118.70 124.98 3ixa s GLU 229 Ca 0.08 0.50 -0.00 0.00 0.36 0.00 0.00 54.97 55.91 3ixa s GLU 229 Cb -0.11 -3.57 0.03 0.00 0.26 0.00 0.00 34.13 30.74 3ixa s GLU 229 CO -0.00 -0.19 -0.07 -1.17 -0.54 0.00 0.00 175.26 173.28 3ixa s LEU 230 N 1.76 1.45 0.43 2.70 2.96 -1.26 -0.37 118.68 126.35 3ixa s LEU 230 Ca 0.26 -0.50 -0.06 0.00 -0.22 0.00 0.00 54.13 53.61 3ixa s LEU 230 Cb -0.16 -0.91 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 3ixa s LEU 230 CO 0.10 -0.15 0.73 0.68 -1.32 0.00 0.00 176.35 176.39 3ixa s VAL 231 N 1.65 4.92 0.25 1.68 -7.23 -1.09 -5.02 120.40 115.56 3ixa s VAL 231 Ca 0.03 0.21 -0.31 0.00 -1.81 0.00 0.00 61.98 60.10 3ixa s VAL 231 Cb -0.14 -3.82 -0.11 0.00 0.56 0.00 0.00 36.38 32.87 3ixa s VAL 231 CO -0.08 -0.68 1.63 -0.70 -0.31 0.00 0.00 175.10 174.96 3ixa s GLU 232 N -4.35 4.13 0.25 4.82 2.56 -1.26 -4.68 118.70 120.17 3ixa s GLU 232 Ca 0.47 2.56 -0.30 0.00 0.00 0.00 0.00 54.97 57.70 3ixa s GLU 232 Cb -0.10 -3.05 -0.14 0.00 2.00 0.00 0.00 34.13 32.84 3ixa s GLU 232 CO 0.39 -0.67 1.26 2.41 -0.56 0.00 0.00 175.26 178.10 3ixa n THR 233 N 2.97 1.33 -4.01 -1.70 -1.04 -1.26 -4.88 114.28 105.68 3ixa n THR 233 Ca 0.11 -0.33 -0.09 0.00 -2.04 0.00 0.00 64.05 61.70 3ixa n THR 233 Cb 0.37 -1.28 -0.11 0.00 -1.82 0.00 0.00 70.33 67.49 3ixa n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ixa s ARG 234 N -0.89 0.40 0.19 -2.82 1.70 -0.63 -4.96 118.95 111.94 3ixa s ARG 234 Ca 0.65 -0.73 -0.23 0.00 -0.47 0.00 0.00 55.73 54.95 3ixa s ARG 234 Cb -0.68 0.05 -0.08 0.00 -0.57 0.00 0.00 34.95 33.66 3ixa s ARG 234 CO 0.54 -0.04 0.75 -1.25 -1.08 0.00 0.00 175.30 174.22 3ixa s PRO 235 N -1.87 4.41 0.35 3.89 0.04 -1.26 -0.69 135.00 139.87 3ixa s PRO 235 Ca -0.11 1.02 0.17 0.00 0.04 0.00 0.00 61.00 62.12 3ixa s PRO 235 Cb -0.07 -3.08 0.59 0.00 0.04 0.00 0.00 34.50 31.98 3ixa s PRO 235 CO -0.02 0.49 1.70 0.00 0.04 0.00 0.00 177.00 179.20 3ixa h ALA 236 N 3.90 0.98 0.00 8.56 0.00 -1.14 -3.46 119.26 128.10 3ixa h ALA 236 Ca -0.48 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.04 3ixa h ALA 236 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ixa h ALA 236 CO 0.65 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.85 3ixa n GLY 237 N 0.26 1.67 1.15 0.00 0.00 -1.26 -4.94 105.19 102.08 3ixa n GLY 237 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3ixa n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ixa n ASP 238 N 0.00 4.21 0.00 1.61 5.75 -1.26 -4.92 116.55 121.94 3ixa n ASP 238 Ca 0.00 -2.72 0.00 0.00 -0.01 0.00 0.00 54.79 52.06 3ixa n ASP 238 Cb 0.00 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.57 3ixa n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ixa n GLY 239 N 0.18 0.61 3.66 6.12 0.00 -1.26 -5.07 105.19 109.42 3ixa n GLY 239 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3ixa n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ixa s THR 240 N -2.35 1.55 0.33 2.61 -4.23 -1.26 -4.84 115.64 107.45 3ixa s THR 240 Ca 0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 3ixa s THR 240 Cb 0.00 -2.62 -0.06 0.00 1.34 0.00 0.00 72.50 71.15 3ixa s THR 240 CO 0.00 0.00 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.67 3ixa s PHE 241 N -2.84 2.21 0.06 3.99 0.40 0.27 -0.57 117.98 121.50 3ixa s PHE 241 Ca 0.23 -0.64 0.02 0.00 -0.60 0.00 0.00 56.93 55.93 3ixa s PHE 241 Cb 0.06 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.23 3ixa s PHE 241 CO 0.12 0.40 -0.06 -0.65 0.70 0.00 0.00 175.22 175.72 3ixa s GLN 242 N -3.70 0.62 0.01 0.44 -0.21 0.13 -2.20 119.66 114.76 3ixa s GLN 242 Ca 0.32 -0.99 -0.28 0.00 0.02 0.00 0.00 55.36 54.43 3ixa s GLN 242 Cb 0.05 -0.18 0.08 0.00 1.00 0.00 0.00 33.01 33.96 3ixa s GLN 242 CO 0.15 0.00 0.71 0.21 -2.12 0.00 0.00 175.29 174.24 3ixa s LYS 243 N -2.57 1.05 0.05 2.91 2.20 -0.53 -1.61 119.74 121.24 3ixa s LYS 243 Ca -0.01 -0.05 -0.03 0.00 -0.36 0.00 0.00 55.97 55.52 3ixa s LYS 243 Cb -0.03 0.49 -0.03 0.00 -1.51 0.00 0.00 37.83 36.75 3ixa s LYS 243 CO -0.02 -0.39 0.03 1.67 -0.36 0.00 0.00 175.35 176.27 3ixa s TRP 244 N -2.22 0.38 -0.04 4.03 1.48 -1.26 -0.95 118.94 120.37 3ixa s TRP 244 Ca -0.04 -0.85 0.02 0.00 -1.06 0.00 0.00 56.10 54.17 3ixa s TRP 244 Cb -0.00 -0.27 0.01 0.00 -1.16 0.00 0.00 33.47 32.04 3ixa s TRP 244 CO -0.00 -0.39 -0.09 0.00 -4.06 0.00 0.00 176.95 172.41 3ixa s ALA 245 N -3.52 0.89 0.01 2.67 0.00 -0.68 -2.66 121.76 118.47 3ixa s ALA 245 Ca 0.03 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 51.76 3ixa s ALA 245 Cb 0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 3ixa s ALA 245 CO -0.09 0.10 -0.16 0.00 0.00 0.00 0.00 175.76 175.62 3ixa s ALA 246 N 0.44 1.32 0.08 0.00 0.00 0.50 -0.54 121.76 123.56 3ixa s ALA 246 Ca -0.07 -0.75 0.08 0.00 0.00 0.00 0.00 51.96 51.21 3ixa s ALA 246 Cb -0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 3ixa s ALA 246 CO 0.01 0.30 -0.20 0.14 0.00 0.00 0.00 175.76 176.02 3ixa s VAL 247 N -0.52 1.62 -0.23 0.00 -7.23 -0.08 -0.81 120.40 113.14 3ixa s VAL 247 Ca 0.05 -1.40 -0.11 0.00 -1.81 0.00 0.00 61.98 58.72 3ixa s VAL 247 Cb -0.07 -1.46 -0.05 0.00 0.56 0.00 0.00 36.38 35.37 3ixa s VAL 247 CO 0.00 0.00 0.16 -0.69 -0.31 0.00 0.00 175.10 174.27 3ixa s VAL 248 N -1.05 5.37 -0.09 1.32 1.01 -1.26 0.25 120.40 125.95 3ixa s VAL 248 Ca 0.06 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.28 3ixa s VAL 248 Cb -0.10 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.78 3ixa s VAL 248 CO 0.03 0.37 -0.22 -0.69 0.00 0.00 0.00 175.10 174.59 3ixa s VAL 249 N 0.88 1.92 0.22 2.92 1.01 0.24 -4.94 120.40 122.64 3ixa s VAL 249 Ca 0.08 -0.94 -0.31 0.00 0.00 0.00 0.00 61.98 60.81 3ixa s VAL 249 Cb -0.13 -1.66 -0.10 0.00 0.00 0.00 0.00 36.38 34.49 3ixa s VAL 249 CO 0.03 0.53 1.50 -2.84 0.00 0.00 0.00 175.10 174.32 3ixa s PRO 250 N 0.31 4.24 0.23 2.72 0.02 -1.26 -0.29 135.00 140.96 3ixa s PRO 250 Ca -0.16 2.34 -0.30 0.00 0.02 0.00 0.00 61.00 62.90 3ixa s PRO 250 Cb -0.17 -3.12 -0.10 0.00 0.02 0.00 0.00 34.50 31.13 3ixa s PRO 250 CO 0.07 -0.51 1.50 -1.12 -0.33 0.00 0.00 177.00 176.61 3ixa s SER 251 N 0.69 6.60 0.00 2.53 0.01 -0.34 -2.14 113.70 121.05 3ixa s SER 251 Ca 0.64 2.68 0.00 0.00 1.31 0.00 0.00 55.95 60.57 3ixa s SER 251 Cb -0.43 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.19 3ixa s SER 251 CO 0.39 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.89 3ixa n GLY 252 N 2.70 1.74 0.84 3.44 0.00 -1.26 -4.95 105.19 107.69 3ixa n GLY 252 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.18 3ixa n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ixa n GLN 253 N -1.24 2.98 -0.31 1.61 6.02 -0.91 -4.74 117.38 120.78 3ixa n GLN 253 Ca 0.00 -2.40 0.11 0.00 -0.01 0.00 0.00 57.00 54.71 3ixa n GLN 253 Cb 0.00 -1.52 0.33 0.00 1.02 0.00 0.00 30.24 30.08 3ixa n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3ixa h GLU 254 N 2.24 0.76 0.00 -1.09 3.07 -1.93 -2.34 114.58 115.30 3ixa h GLU 254 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3ixa h GLU 254 Cb 1.03 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 3ixa h GLU 254 CO 0.09 0.50 0.00 1.96 -1.40 0.00 0.00 179.01 180.17 3ixa h GLN 255 N 0.79 0.00 0.00 2.33 7.50 -1.85 -2.57 115.11 121.30 3ixa h GLN 255 Ca 0.49 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.58 3ixa h GLN 255 Cb 0.71 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.23 3ixa h GLN 255 CO -0.25 0.00 -0.27 0.00 -1.50 0.00 0.00 178.83 176.81 3ixa h ARG 256 N 0.00 0.00 -5.22 1.46 3.08 -1.80 -3.45 114.38 108.45 3ixa h ARG 256 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 3ixa h ARG 256 Cb 0.48 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.40 3ixa h ARG 256 CO 0.00 0.27 -0.44 0.71 -1.07 0.00 0.00 179.97 179.44 3ixa s TYR 257 N -3.87 3.36 -0.02 3.04 2.02 -0.97 -0.85 117.35 120.06 3ixa s TYR 257 Ca -0.01 0.35 0.07 0.00 -0.37 0.00 0.00 57.07 57.11 3ixa s TYR 257 Cb 0.12 -2.29 -0.02 0.00 -0.40 0.00 0.00 41.96 39.37 3ixa s TYR 257 CO 0.65 0.12 -0.24 0.95 -1.57 0.00 0.00 175.55 175.47 3ixa s THR 258 N 0.87 2.26 -0.06 -0.71 -4.23 -0.25 -4.58 115.64 108.95 3ixa s THR 258 Ca 0.10 -1.07 -0.14 0.00 -1.18 0.00 0.00 61.69 59.40 3ixa s THR 258 Cb -0.13 -1.82 -0.05 0.00 1.34 0.00 0.00 72.50 71.84 3ixa s THR 258 CO 0.03 0.55 0.36 0.00 -0.54 0.00 0.00 174.62 175.03 3ixa s HIS 260 N -0.52 2.14 -0.16 0.00 3.76 0.21 -0.50 115.29 120.21 3ixa s HIS 260 Ca 0.22 -0.99 0.00 0.00 -0.15 0.00 0.00 55.06 54.14 3ixa s HIS 260 Cb -0.15 -1.51 0.00 0.00 1.11 0.00 0.00 32.58 32.03 3ixa s HIS 260 CO 0.10 -0.48 -0.16 0.08 -0.85 0.00 0.00 174.74 173.43 3ixa s VAL 261 N 0.83 2.53 -0.09 -0.90 1.01 -0.76 -1.49 120.40 121.52 3ixa s VAL 261 Ca -0.09 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.12 3ixa s VAL 261 Cb -0.16 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.15 3ixa s VAL 261 CO 0.00 0.52 -0.24 -1.10 0.00 0.00 0.00 175.10 174.28 3ixa s GLN 262 N 0.96 2.90 -0.20 2.72 -0.21 -0.33 -1.95 119.66 123.55 3ixa s GLN 262 Ca -0.03 -0.88 -0.27 0.00 0.02 0.00 0.00 55.36 54.20 3ixa s GLN 262 Cb -0.15 -2.27 0.08 0.00 1.00 0.00 0.00 33.01 31.67 3ixa s GLN 262 CO -0.03 0.25 0.75 -1.58 -2.12 0.00 0.00 175.29 172.56 3ixa s HIS 263 N 0.17 -0.70 0.48 0.91 2.46 -1.26 -1.89 115.29 115.45 3ixa s HIS 263 Ca -0.14 1.56 0.32 0.00 0.47 0.00 0.00 55.06 57.27 3ixa s HIS 263 Cb -0.17 0.33 1.71 0.00 -0.13 0.00 0.00 32.58 34.32 3ixa s HIS 263 CO 0.07 -0.43 2.16 1.05 -2.47 0.00 0.00 174.74 175.12 3ixa h GLU 264 N 4.22 0.00 0.00 2.88 4.11 -1.95 -1.50 114.58 122.34 3ixa h GLU 264 Ca -0.28 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.10 3ixa h GLU 264 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3ixa h GLU 264 CO 0.17 0.06 -0.25 0.78 0.07 0.00 0.00 179.01 179.84 3ixa h GLY 265 N 0.59 0.00 -4.42 1.06 0.00 -1.87 -3.44 103.07 94.99 3ixa h GLY 265 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 3ixa h GLY 265 CO 0.01 0.00 0.27 1.08 0.00 0.00 0.00 176.54 177.89 3ixa s LEU 266 N -8.04 4.43 0.28 3.11 1.43 -0.57 -4.63 118.68 114.69 3ixa s LEU 266 Ca -0.03 1.58 0.04 0.00 -1.03 0.00 0.00 54.13 54.70 3ixa s LEU 266 Cb 0.14 -3.41 0.39 0.00 0.03 0.00 0.00 46.19 43.35 3ixa s LEU 266 CO 0.68 -0.09 1.68 1.55 0.23 0.00 0.00 176.35 180.40 3ixa h PRO 267 N 6.01 0.34 -4.63 1.29 0.13 -1.86 -3.44 132.00 129.85 3ixa h PRO 267 Ca -0.43 -0.16 -0.36 0.00 -0.87 0.00 0.00 66.00 64.19 3ixa h PRO 267 Cb 1.21 -0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.07 3ixa h PRO 267 CO 0.73 0.68 -0.77 0.15 -0.23 0.00 0.00 178.00 178.56 3ixa s LYS 268 N -4.20 0.62 0.32 0.86 1.02 -1.26 -5.12 119.74 111.97 3ixa s LYS 268 Ca -0.05 -0.39 -0.29 0.00 0.02 0.00 0.00 55.97 55.26 3ixa s LYS 268 Cb 0.13 -0.57 -0.12 0.00 -0.52 0.00 0.00 37.83 36.75 3ixa s LYS 268 CO 0.79 0.15 1.46 -2.30 -0.92 0.00 0.00 175.35 174.53 3ixa n PRO 269 N 2.58 2.45 -3.43 -1.68 -0.02 -1.26 -4.99 135.00 128.65 3ixa n PRO 269 Ca -0.15 0.86 -0.31 0.00 -2.02 0.00 0.00 63.50 61.88 3ixa n PRO 269 Cb 0.57 -2.56 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 3ixa n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ixa s LEU 270 N -0.95 4.16 -0.18 2.45 1.43 -0.82 -4.93 118.68 119.84 3ixa s LEU 270 Ca 0.60 0.85 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 3ixa s LEU 270 Cb -0.53 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.11 3ixa s LEU 270 CO 0.56 -0.08 -0.08 -0.89 0.23 0.00 0.00 176.35 176.09 3ixa s THR 271 N -1.85 1.37 0.11 5.49 2.01 -1.26 -1.83 115.64 119.68 3ixa s THR 271 Ca 0.46 -0.79 0.04 0.00 0.31 0.00 0.00 61.69 61.71 3ixa s THR 271 Cb -0.11 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 3ixa s THR 271 CO 0.23 0.17 0.06 -0.76 -0.69 0.00 0.00 174.62 173.63 3ixa s LEU 272 N 1.52 3.64 0.18 4.42 2.01 0.34 -4.93 118.68 125.86 3ixa s LEU 272 Ca 0.00 -0.12 -0.22 0.00 0.01 0.00 0.00 54.13 53.79 3ixa s LEU 272 Cb -0.15 -2.33 0.06 0.00 0.01 0.00 0.00 46.19 43.78 3ixa s LEU 272 CO -0.08 0.15 0.62 0.00 1.01 0.00 0.00 176.35 178.04 3ixa s ARG 273 N -2.55 1.37 -0.31 1.70 1.70 -1.26 -1.38 118.95 118.23 3ixa s ARG 273 Ca 0.28 -0.58 -0.04 0.00 -0.47 0.00 0.00 55.73 54.93 3ixa s ARG 273 Cb -0.11 0.59 0.02 0.00 -0.57 0.00 0.00 34.95 34.87 3ixa s ARG 273 CO 0.21 -0.61 2.77 0.91 -1.08 0.00 0.00 175.30 177.50 3ixa n TRP 274 N -0.39 1.16 -0.92 5.89 7.02 -1.26 -5.11 117.44 123.83 3ixa n TRP 274 Ca -0.14 -1.80 0.00 0.00 -1.02 0.00 0.00 57.50 54.53 3ixa n TRP 274 Cb 0.64 -1.30 0.00 0.00 -2.42 0.00 0.00 31.31 28.23 3ixa n TRP 274 CO 0.00 0.00 0.00 -0.85 -2.02 0.00 0.00 177.69 174.82