#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxf s SER 2 N 0.00 4.74 0.66 1.61 1.04 -1.26 -5.11 113.70 115.38 3kxf s SER 2 Ca 0.00 -2.36 -0.17 0.00 0.48 0.00 0.00 55.95 53.90 3kxf s SER 2 Cb 0.00 -1.66 -0.02 0.00 0.10 0.00 0.00 66.02 64.44 3kxf s SER 2 CO 0.00 -0.37 1.08 1.41 0.98 0.00 0.00 173.24 176.35 3kxf n HIS 3 N 4.01 1.16 -4.00 5.02 -0.00 -1.26 -4.51 115.22 115.65 3kxf n HIS 3 Ca 0.04 0.42 -0.09 0.00 -0.00 0.00 0.00 57.72 58.08 3kxf n HIS 3 Cb 0.40 -2.16 -0.08 0.00 -0.00 0.00 0.00 29.99 28.14 3kxf n HIS 3 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3kxf s SER 4 N -1.43 0.16 -0.04 0.41 1.04 -1.26 -0.17 113.70 112.41 3kxf s SER 4 Ca 0.78 -0.92 0.03 0.00 0.48 0.00 0.00 55.95 56.32 3kxf s SER 4 Cb -0.38 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.11 3kxf s SER 4 CO 0.45 -0.80 -0.13 -0.32 0.98 0.00 0.00 173.24 173.43 3kxf s MET 5 N -3.96 1.47 0.07 4.02 -2.45 -0.98 -0.61 119.30 116.86 3kxf s MET 5 Ca 0.16 -0.43 0.06 0.00 -1.25 0.00 0.00 55.69 54.22 3kxf s MET 5 Cb 0.05 -1.28 -0.03 0.00 1.25 0.00 0.00 34.83 34.82 3kxf s MET 5 CO -0.02 0.12 -0.16 1.03 1.05 0.00 0.00 175.02 177.04 3kxf s ARG 6 N 0.32 0.94 -0.05 4.11 1.81 0.18 -1.95 118.95 124.31 3kxf s ARG 6 Ca -0.07 -0.96 0.04 0.00 -1.72 0.00 0.00 55.73 53.02 3kxf s ARG 6 Cb -0.12 -1.02 -0.00 0.00 -0.45 0.00 0.00 34.95 33.36 3kxf s ARG 6 CO 0.02 0.24 -0.19 0.71 -0.68 0.00 0.00 175.30 175.40 3kxf s TYR 7 N -1.14 1.89 -0.21 -0.53 1.51 0.92 -0.11 117.35 119.69 3kxf s TYR 7 Ca 0.01 -0.59 -0.01 0.00 -1.01 0.00 0.00 57.07 55.46 3kxf s TYR 7 Cb -0.09 -1.27 0.01 0.00 -0.11 0.00 0.00 41.96 40.49 3kxf s TYR 7 CO 0.02 -0.22 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.08 3kxf s PHE 8 N 0.12 2.92 -0.18 2.71 0.40 0.60 -1.78 117.98 122.76 3kxf s PHE 8 Ca -0.07 -1.35 -0.06 0.00 -0.60 0.00 0.00 56.93 54.85 3kxf s PHE 8 Cb -0.13 -2.02 -0.03 0.00 0.51 0.00 0.00 43.02 41.34 3kxf s PHE 8 CO 0.03 -0.69 0.03 0.71 0.70 0.00 0.00 175.22 176.00 3kxf s TYR 9 N 1.37 3.15 -0.20 0.36 2.02 0.10 -2.03 117.35 122.13 3kxf s TYR 9 Ca 0.04 -0.12 0.01 0.00 -0.37 0.00 0.00 57.07 56.64 3kxf s TYR 9 Cb -0.14 -2.05 0.03 0.00 -0.40 0.00 0.00 41.96 39.40 3kxf s TYR 9 CO -0.07 0.03 -0.15 0.99 -1.57 0.00 0.00 175.55 174.78 3kxf s THR 10 N 0.49 1.89 -0.08 -0.71 2.01 0.20 -0.76 115.64 118.68 3kxf s THR 10 Ca 0.01 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 60.97 3kxf s THR 10 Cb -0.13 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 3kxf s THR 10 CO 0.02 0.31 -0.11 0.00 -0.69 0.00 0.00 174.62 174.15 3kxf s ALA 11 N 1.31 2.79 -0.16 7.40 0.00 -0.04 -0.57 121.76 132.48 3kxf s ALA 11 Ca 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 51.00 3kxf s ALA 11 Cb -0.15 -1.15 0.08 0.00 0.00 0.00 0.00 23.12 21.90 3kxf s ALA 11 CO -0.10 0.47 0.29 1.41 0.00 0.00 0.00 175.76 177.84 3kxf s MET 12 N -0.45 0.20 0.42 0.00 0.00 -0.35 -0.96 119.30 118.15 3kxf s MET 12 Ca 0.06 0.68 -0.24 0.00 0.00 0.00 0.00 55.69 56.18 3kxf s MET 12 Cb -0.12 -0.22 -0.08 0.00 0.00 0.00 0.00 34.83 34.41 3kxf s MET 12 CO 0.02 -0.38 1.16 -1.54 0.00 0.00 0.00 175.02 174.28 3kxf s SER 13 N 2.45 6.42 -0.08 1.11 1.04 -0.75 -0.22 113.70 123.68 3kxf s SER 13 Ca 0.03 2.32 -0.17 0.00 0.48 0.00 0.00 55.95 58.62 3kxf s SER 13 Cb -0.13 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.33 3kxf s SER 13 CO -0.10 -0.74 0.43 -0.13 0.98 0.00 0.00 173.24 173.68 3kxf s ARG 14 N -2.43 4.19 0.16 4.02 0.52 -1.26 -4.32 118.95 119.82 3kxf s ARG 14 Ca 0.59 0.41 -0.04 0.00 -0.52 0.00 0.00 55.73 56.17 3kxf s ARG 14 Cb -0.30 -3.36 0.01 0.00 0.52 0.00 0.00 34.95 31.83 3kxf s ARG 14 CO 0.37 0.36 1.40 -1.00 0.02 0.00 0.00 175.30 176.45 3kxf h PRO 15 N 5.96 0.47 0.00 3.54 0.13 -1.89 -3.46 132.00 136.74 3kxf h PRO 15 Ca -0.45 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 3kxf h PRO 15 Cb 1.19 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3kxf h PRO 15 CO 0.70 1.03 0.00 0.41 -0.23 0.00 0.00 178.00 179.91 3kxf n GLY 16 N 0.63 1.14 3.86 1.56 0.00 -1.26 -4.98 105.19 106.14 3kxf n GLY 16 Ca -0.05 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 3kxf n GLY 16 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kxf s ARG 17 N 1.15 3.56 0.00 1.61 3.52 -1.26 -5.00 118.95 122.53 3kxf s ARG 17 Ca 0.00 0.78 0.00 0.00 -0.13 0.00 0.00 55.73 56.38 3kxf s ARG 17 Cb 0.00 -2.08 0.00 0.00 -1.56 0.00 0.00 34.95 31.31 3kxf s ARG 17 CO 0.00 -0.60 0.00 0.41 -0.81 0.00 0.00 175.30 174.30 3kxf n GLY 18 N -2.60 2.71 3.88 8.12 0.00 -1.26 -4.96 105.19 111.09 3kxf n GLY 18 Ca 0.06 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.86 3kxf n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kxf s GLU 19 N -3.07 3.71 0.38 1.61 0.41 -1.26 -4.64 118.70 115.84 3kxf s GLU 19 Ca 0.00 0.37 -0.26 0.00 -0.41 0.00 0.00 54.97 54.67 3kxf s GLU 19 Cb 0.00 -2.41 -0.11 0.00 -1.78 0.00 0.00 34.13 29.83 3kxf s GLU 19 CO 0.00 -0.06 1.16 -2.30 -0.49 0.00 0.00 175.26 173.58 3kxf n PRO 20 N -1.49 1.74 -3.63 0.39 -0.02 -1.26 -4.62 135.00 126.11 3kxf n PRO 20 Ca 0.02 0.61 -0.36 0.00 -2.02 0.00 0.00 63.50 61.75 3kxf n PRO 20 Cb 0.54 -2.19 -0.07 0.00 -0.02 0.00 0.00 33.50 31.76 3kxf n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3kxf s ARG 21 N -1.95 4.22 -0.30 -0.52 3.52 0.70 -4.85 118.95 119.77 3kxf s ARG 21 Ca 0.59 -0.05 -0.02 0.00 -0.13 0.00 0.00 55.73 56.13 3kxf s ARG 21 Cb -0.57 -3.42 0.05 0.00 -1.56 0.00 0.00 34.95 29.45 3kxf s ARG 21 CO 0.59 0.27 0.00 0.12 -0.81 0.00 0.00 175.30 175.47 3kxf s PHE 22 N 0.41 3.29 -0.16 5.12 5.36 -1.26 -1.21 117.98 129.53 3kxf s PHE 22 Ca 0.13 -1.93 -0.03 0.00 -0.96 0.00 0.00 56.93 54.13 3kxf s PHE 22 Cb -0.12 -2.16 -0.03 0.00 -0.34 0.00 0.00 43.02 40.38 3kxf s PHE 22 CO 0.01 -0.82 -0.04 0.42 -1.46 0.00 0.00 175.22 173.33 3kxf s ILE 23 N 1.24 3.79 -0.06 3.12 1.01 0.26 -2.83 121.20 127.73 3kxf s ILE 23 Ca -0.05 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.26 3kxf s ILE 23 Cb -0.20 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 3kxf s ILE 23 CO -0.01 0.49 -0.22 0.00 0.00 0.00 0.00 174.94 175.19 3kxf s ALA 24 N 0.45 1.94 0.03 9.38 0.00 -0.57 -0.63 121.76 132.36 3kxf s ALA 24 Ca -0.04 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.03 3kxf s ALA 24 Cb -0.14 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 3kxf s ALA 24 CO 0.03 0.35 -0.08 0.14 0.00 0.00 0.00 175.76 176.20 3kxf s VAL 25 N -0.01 0.60 0.18 0.00 -7.23 -0.86 -1.12 120.40 111.96 3kxf s VAL 25 Ca -0.06 -0.91 0.09 0.00 -1.81 0.00 0.00 61.98 59.29 3kxf s VAL 25 Cb -0.14 -0.62 -0.04 0.00 0.56 0.00 0.00 36.38 36.14 3kxf s VAL 25 CO 0.04 -0.24 -0.20 -0.83 -0.31 0.00 0.00 175.10 173.57 3kxf s GLY 26 N -1.25 1.49 0.02 2.32 0.00 -1.08 -0.29 107.32 108.53 3kxf s GLY 26 Ca -0.06 -1.54 0.01 0.00 0.00 0.00 0.00 44.72 43.12 3kxf s GLY 26 CO 0.00 -1.59 -0.03 -0.19 0.00 0.00 0.00 173.10 171.29 3kxf s TYR 27 N -1.97 0.30 -0.24 1.90 1.51 0.85 -2.57 117.35 117.13 3kxf s TYR 27 Ca 0.18 -0.31 -0.05 0.00 -1.01 0.00 0.00 57.07 55.88 3kxf s TYR 27 Cb -0.06 -0.20 -0.00 0.00 -0.11 0.00 0.00 41.96 41.59 3kxf s TYR 27 CO 0.08 -0.09 -0.01 0.08 -1.11 0.00 0.00 175.55 174.50 3kxf s VAL 28 N -0.85 3.53 0.00 0.71 1.01 0.06 -0.65 120.40 124.22 3kxf s VAL 28 Ca -0.08 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.32 3kxf s VAL 28 Cb -0.06 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.63 3kxf s VAL 28 CO -0.00 0.30 0.00 0.47 0.00 0.00 0.00 175.10 175.87 3kxf n ASP 29 N 4.81 0.00 -1.89 3.32 8.00 0.23 -1.49 116.55 129.53 3kxf n ASP 29 Ca -0.17 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.12 3kxf n ASP 29 Cb 0.50 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.72 3kxf n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3kxf n ASP 30 N 7.64 4.74 -3.89 -2.24 8.00 -1.26 -4.93 116.55 124.61 3kxf n ASP 30 Ca 0.00 -3.75 -0.27 0.00 0.71 0.00 0.00 54.79 51.47 3kxf n ASP 30 Cb 0.00 -0.72 -0.17 0.00 -0.02 0.00 0.00 41.12 40.21 3kxf n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kxf s THR 31 N -4.00 1.05 0.37 -3.53 2.01 -0.55 -5.02 115.64 105.98 3kxf s THR 31 Ca 0.54 -0.46 -0.24 0.00 0.31 0.00 0.00 61.69 61.84 3kxf s THR 31 Cb 0.45 -1.16 -0.10 0.00 0.01 0.00 0.00 72.50 71.70 3kxf s THR 31 CO 0.02 0.24 0.99 -1.58 -0.69 0.00 0.00 174.62 173.60 3kxf s GLN 32 N 1.68 4.36 0.00 4.92 0.74 -1.26 -0.76 119.66 129.33 3kxf s GLN 32 Ca 0.03 1.38 0.00 0.00 0.05 0.00 0.00 55.36 56.81 3kxf s GLN 32 Cb -0.14 -2.61 0.00 0.00 1.10 0.00 0.00 33.01 31.37 3kxf s GLN 32 CO -0.08 0.06 0.00 1.97 -0.55 0.00 0.00 175.29 176.69 3kxf n PHE 33 N 0.13 0.00 -3.93 1.67 -1.74 -1.06 -4.09 117.46 108.43 3kxf n PHE 33 Ca 0.04 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.83 3kxf n PHE 33 Cb 0.50 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 41.39 3kxf n PHE 33 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3kxf s VAL 34 N -0.52 0.07 0.04 1.97 0.11 -1.26 0.11 120.40 120.92 3kxf s VAL 34 Ca 0.00 -0.60 -0.04 0.00 -2.93 0.00 0.00 61.98 58.41 3kxf s VAL 34 Cb 0.00 -0.20 -0.02 0.00 -1.53 0.00 0.00 36.38 34.63 3kxf s VAL 34 CO 0.00 -0.33 0.06 0.00 -3.33 0.00 0.00 175.10 171.50 3kxf s ARG 35 N -0.98 0.54 -0.16 1.54 1.70 0.05 -2.65 118.95 119.00 3kxf s ARG 35 Ca -0.11 -0.78 -0.09 0.00 -0.47 0.00 0.00 55.73 54.28 3kxf s ARG 35 Cb -0.07 0.21 0.06 0.00 -0.57 0.00 0.00 34.95 34.58 3kxf s ARG 35 CO -0.00 -0.13 0.38 0.12 -1.08 0.00 0.00 175.30 174.59 3kxf s PHE 36 N -2.57 -0.55 -0.05 5.89 2.19 -0.27 -0.12 117.98 122.50 3kxf s PHE 36 Ca -0.05 1.20 0.01 0.00 0.33 0.00 0.00 56.93 58.42 3kxf s PHE 36 Cb -0.02 0.23 0.02 0.00 -1.31 0.00 0.00 43.02 41.94 3kxf s PHE 36 CO -0.05 -0.32 -0.06 0.34 1.83 0.00 0.00 175.22 176.96 3kxf s ASP 37 N 1.35 1.08 0.00 6.13 -1.08 -1.26 -1.51 116.67 121.37 3kxf s ASP 37 Ca -0.09 -0.16 0.31 0.00 -0.52 0.00 0.00 52.55 52.08 3kxf s ASP 37 Cb -0.09 -0.51 1.67 0.00 -1.46 0.00 0.00 42.92 42.53 3kxf s ASP 37 CO -0.12 -0.03 2.11 -1.54 0.52 0.00 0.00 175.17 176.12 3kxf n SER 38 N 3.94 0.00 0.12 -0.34 3.41 -1.13 -3.19 113.62 116.43 3kxf n SER 38 Ca -0.25 -0.50 -0.24 0.00 -0.26 0.00 0.00 58.87 57.63 3kxf n SER 38 Cb 0.51 -0.16 -0.16 0.00 -0.26 0.00 0.00 64.21 64.14 3kxf n SER 38 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3kxf h ASP 39 N 0.00 0.75 -0.95 4.04 5.19 -1.96 -3.47 116.42 120.03 3kxf h ASP 39 Ca 0.00 -0.93 -0.80 0.00 -0.62 0.00 0.00 57.03 54.68 3kxf h ASP 39 Cb 0.16 -0.24 0.03 0.00 0.18 0.00 0.00 39.33 39.45 3kxf h ASP 39 CO 0.00 1.64 0.40 0.00 -3.12 0.00 0.00 179.24 178.16 3kxf n ALA 40 N -2.72 -2.22 -0.37 3.45 0.00 -1.19 -4.79 120.51 112.67 3kxf n ALA 40 Ca -0.17 0.51 -0.08 0.00 0.00 0.00 0.00 53.44 53.71 3kxf n ALA 40 Cb 1.04 -1.76 -0.07 0.00 0.00 0.00 0.00 19.45 18.66 3kxf n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kxf n ALA 41 N 2.79 -0.49 -3.76 0.00 0.00 -1.26 -1.91 120.51 115.88 3kxf n ALA 41 Ca 0.25 0.78 -0.36 0.00 0.00 0.00 0.00 53.44 54.10 3kxf n ALA 41 Cb -0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 19.45 19.17 3kxf n ALA 41 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kxf s SER 42 N -5.42 5.28 0.06 0.00 1.04 -1.26 -5.08 113.70 108.32 3kxf s SER 42 Ca -0.11 -2.12 -0.31 0.00 0.48 0.00 0.00 55.95 53.90 3kxf s SER 42 Cb 0.11 -1.84 -0.07 0.00 0.10 0.00 0.00 66.02 64.32 3kxf s SER 42 CO 0.56 -0.53 1.46 -2.84 0.98 0.00 0.00 173.24 172.87 3kxf s PRO 43 N 1.02 4.28 0.18 4.02 0.02 -0.80 -5.01 135.00 138.70 3kxf s PRO 43 Ca 0.09 2.10 0.04 0.00 0.02 0.00 0.00 61.00 63.25 3kxf s PRO 43 Cb -0.23 -3.44 -0.05 0.00 0.02 0.00 0.00 34.50 30.81 3kxf s PRO 43 CO -0.04 -0.56 -0.05 1.03 -0.33 0.00 0.00 177.00 177.05 3kxf s ARG 44 N 1.92 1.17 -0.14 5.54 0.52 -1.26 -5.04 118.95 121.65 3kxf s ARG 44 Ca 0.66 -1.55 -0.20 0.00 -0.52 0.00 0.00 55.73 54.13 3kxf s ARG 44 Cb -0.36 -0.56 -0.03 0.00 0.52 0.00 0.00 34.95 34.52 3kxf s ARG 44 CO 0.29 -0.02 0.59 -0.08 0.02 0.00 0.00 175.30 176.10 3kxf s THR 45 N -3.41 5.09 0.06 0.02 -1.32 -1.26 -4.31 115.64 110.51 3kxf s THR 45 Ca 0.22 1.15 0.09 0.00 -1.21 0.00 0.00 61.69 61.94 3kxf s THR 45 Cb 0.04 -3.92 -0.03 0.00 -1.51 0.00 0.00 72.50 67.09 3kxf s THR 45 CO 0.04 0.23 -0.26 -1.61 -2.21 0.00 0.00 174.62 170.81 3kxf s GLU 46 N 1.16 1.77 0.63 7.08 2.02 0.83 -4.95 118.70 127.24 3kxf s GLU 46 Ca 0.30 -1.13 -0.15 0.00 0.02 0.00 0.00 54.97 54.00 3kxf s GLU 46 Cb -0.16 -1.98 -0.01 0.00 0.10 0.00 0.00 34.13 32.07 3kxf s GLU 46 CO 0.12 0.51 1.09 -1.25 0.02 0.00 0.00 175.26 175.75 3kxf s PRO 47 N -1.37 3.00 0.00 0.39 0.04 -1.26 -0.77 135.00 135.03 3kxf s PRO 47 Ca 0.12 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.47 3kxf s PRO 47 Cb -0.10 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3kxf s PRO 47 CO 0.03 -1.08 0.18 0.54 0.04 0.00 0.00 177.00 176.72 3kxf n ARG 48 N -2.28 0.00 -3.77 4.56 5.12 0.31 -4.80 116.66 115.80 3kxf n ARG 48 Ca 0.10 -0.18 -0.13 0.00 -1.93 0.00 0.00 57.85 55.71 3kxf n ARG 48 Cb 0.52 -0.46 -0.11 0.00 -1.16 0.00 0.00 32.46 31.24 3kxf n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kxf s ALA 49 N 0.00 -0.70 0.25 7.54 0.00 -1.23 -4.61 121.76 123.01 3kxf s ALA 49 Ca 0.00 0.85 -0.04 0.00 0.00 0.00 0.00 51.96 52.78 3kxf s ALA 49 Cb 0.00 -0.50 0.45 0.00 0.00 0.00 0.00 23.12 23.07 3kxf s ALA 49 CO 0.00 -0.15 1.76 -1.35 0.00 0.00 0.00 175.76 176.02 3kxf h PRO 50 N 5.94 0.55 0.00 0.00 0.11 -1.95 -2.44 132.00 134.22 3kxf h PRO 50 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3kxf h PRO 50 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3kxf h PRO 50 CO 0.33 0.37 0.00 -2.67 -0.21 0.00 0.00 178.00 175.82 3kxf n TRP 51 N -4.90 0.77 0.09 0.65 4.27 -1.26 -2.29 117.44 114.77 3kxf n TRP 51 Ca 0.14 0.34 -0.04 0.00 -3.89 0.00 0.00 57.50 54.05 3kxf n TRP 51 Cb 0.38 -1.04 -0.07 0.00 -1.36 0.00 0.00 31.31 29.22 3kxf n TRP 51 CO 0.00 0.00 0.00 0.97 -2.29 0.00 0.00 177.69 176.37 3kxf h ILE 52 N 0.00 1.44 0.00 -1.67 6.09 -1.79 -3.36 117.51 118.22 3kxf h ILE 52 Ca 0.00 -3.02 0.00 0.00 -1.37 0.00 0.00 64.86 60.47 3kxf h ILE 52 Cb 0.24 2.70 0.00 0.00 0.47 0.00 0.00 36.82 40.24 3kxf h ILE 52 CO 0.00 0.82 0.00 -0.33 -3.07 0.00 0.00 178.15 175.57 3kxf h GLU 53 N 0.00 0.00 0.00 2.19 5.08 -1.61 -2.04 114.58 118.21 3kxf h GLU 53 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3kxf h GLU 53 Cb 1.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.89 3kxf h GLU 53 CO 0.11 0.00 0.00 -0.56 -1.00 0.00 0.00 179.01 177.56 3kxf h GLN 54 N 0.00 0.00 -6.74 2.33 3.07 -1.78 -3.45 115.11 108.54 3kxf h GLN 54 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 58.21 3kxf h GLN 54 Cb 0.19 0.00 0.05 0.00 0.08 0.00 0.00 27.48 27.80 3kxf h GLN 54 CO 0.00 0.00 0.72 -1.21 0.09 0.00 0.00 178.83 178.43 3kxf s GLU 55 N -3.62 4.30 0.88 0.06 0.41 -0.77 -5.00 118.70 114.97 3kxf s GLU 55 Ca 0.01 2.24 -0.11 0.00 -0.41 0.00 0.00 54.97 56.70 3kxf s GLU 55 Cb 0.09 -3.13 0.12 0.00 -1.78 0.00 0.00 34.13 29.44 3kxf s GLU 55 CO 0.50 -0.36 1.10 0.20 -0.49 0.00 0.00 175.26 176.21 3kxf s GLY 56 N 0.27 1.65 0.54 -1.39 0.00 -1.26 -4.87 107.32 102.26 3kxf s GLY 56 Ca 0.58 0.19 0.25 0.00 0.00 0.00 0.00 44.72 45.73 3kxf s GLY 56 CO 0.43 0.63 2.03 -0.56 0.00 0.00 0.00 173.10 175.63 3kxf h PRO 57 N -1.57 0.00 -0.88 2.90 0.13 -1.97 0.09 132.00 130.70 3kxf h PRO 57 Ca -0.47 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.73 3kxf h PRO 57 Cb 1.27 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.34 3kxf h PRO 57 CO 0.50 0.00 0.57 0.93 -0.23 0.00 0.00 178.00 179.77 3kxf h GLU 58 N 0.00 0.92 -0.56 0.86 3.07 -1.99 -1.76 114.58 115.12 3kxf h GLU 58 Ca 0.19 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.96 3kxf h GLU 58 Cb 0.81 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 3kxf h GLU 58 CO -0.00 0.61 0.22 -0.92 -1.40 0.00 0.00 179.01 177.52 3kxf h TYR 59 N 0.94 0.85 0.05 4.33 3.20 -1.31 -1.84 116.97 123.19 3kxf h TYR 59 Ca 0.39 -0.06 -0.23 0.00 3.14 0.00 0.00 58.73 61.96 3kxf h TYR 59 Cb 0.28 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3kxf h TYR 59 CO -0.00 0.69 -1.03 -1.49 -1.64 0.00 0.00 178.16 174.69 3kxf h TRP 60 N 0.76 0.39 -0.43 -3.82 4.06 -1.55 -1.90 115.95 113.46 3kxf h TRP 60 Ca 0.19 -0.24 -0.03 0.00 2.06 0.00 0.00 58.89 60.86 3kxf h TRP 60 Cb 0.20 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.31 3kxf h TRP 60 CO 0.01 1.12 0.12 -0.44 -3.56 0.00 0.00 178.44 175.69 3kxf h ASP 61 N 0.11 0.57 -0.49 -3.49 3.32 -1.31 -0.72 116.42 114.41 3kxf h ASP 61 Ca -0.08 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 56.80 3kxf h ASP 61 Cb 1.71 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 41.10 3kxf h ASP 61 CO 0.16 0.56 -0.05 -0.09 -1.72 0.00 0.00 179.24 178.10 3kxf h ARG 62 N 0.62 0.89 0.18 3.56 2.43 -1.14 -2.70 114.38 118.21 3kxf h ARG 62 Ca 0.14 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 3kxf h ARG 62 Cb 0.20 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3kxf h ARG 62 CO -0.01 0.95 -0.08 -0.91 -1.51 0.00 0.00 179.97 178.41 3kxf h ASN 63 N 0.75 -0.20 -0.44 -3.80 -0.26 -1.04 -2.96 115.58 107.63 3kxf h ASN 63 Ca 0.13 -0.27 0.08 0.00 -0.56 0.00 0.00 56.30 55.69 3kxf h ASN 63 Cb 0.58 0.05 -0.10 0.00 -1.06 0.00 0.00 38.32 37.80 3kxf h ASN 63 CO 0.03 0.18 -0.35 0.74 -1.06 0.00 0.00 177.43 176.98 3kxf h THR 64 N -0.61 0.20 -0.63 2.81 2.02 -1.19 -0.69 112.91 114.81 3kxf h THR 64 Ca -0.02 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.29 3kxf h THR 64 Cb 0.45 0.20 -0.11 0.00 -1.74 0.00 0.00 68.15 66.95 3kxf h THR 64 CO 0.04 0.00 -0.09 0.00 0.37 0.00 0.00 175.52 175.84 3kxf h ALA 65 N 0.75 0.51 -0.02 6.16 0.00 -1.54 0.99 119.26 126.11 3kxf h ALA 65 Ca 0.18 0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.33 3kxf h ALA 65 Cb 0.55 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3kxf h ALA 65 CO -0.58 -0.42 -0.04 0.82 0.00 0.00 0.00 179.25 179.03 3kxf h ILE 66 N 0.05 0.88 -0.24 0.00 2.04 -0.98 -2.18 117.51 117.09 3kxf h ILE 66 Ca 0.32 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 66.00 3kxf h ILE 66 Cb 0.51 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3kxf h ILE 66 CO -0.61 0.00 -0.58 -0.26 0.00 0.00 0.00 178.15 176.70 3kxf h PHE 67 N -0.07 0.96 -0.21 1.37 0.04 -0.60 -1.17 116.94 117.27 3kxf h PHE 67 Ca 0.02 -0.35 0.04 0.00 2.80 0.00 0.00 57.97 60.48 3kxf h PHE 67 Cb 0.10 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.04 3kxf h PHE 67 CO -0.12 1.15 -0.03 0.87 -0.60 0.00 0.00 178.31 179.58 3kxf h LYS 68 N 0.57 0.03 -0.80 1.51 1.57 -0.81 0.13 116.57 118.77 3kxf h LYS 68 Ca 0.00 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3kxf h LYS 68 Cb 1.17 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.43 3kxf h LYS 68 CO 0.12 0.02 0.52 0.00 -0.57 0.00 0.00 179.45 179.55 3kxf h ALA 69 N 1.19 1.03 -0.07 3.86 0.00 -1.32 -2.41 119.26 121.55 3kxf h ALA 69 Ca 0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3kxf h ALA 69 Cb 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3kxf h ALA 69 CO -0.19 0.39 -0.20 -0.91 0.00 0.00 0.00 179.25 178.33 3kxf h ASN 70 N 1.05 0.11 -0.33 0.00 2.35 -0.60 -2.42 115.58 115.74 3kxf h ASN 70 Ca 0.30 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 3kxf h ASN 70 Cb -0.07 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 3kxf h ASN 70 CO -0.08 0.32 0.17 0.74 -1.65 0.00 0.00 177.43 176.93 3kxf h THR 71 N 0.11 1.15 -0.65 2.81 2.02 -0.25 -0.51 112.91 117.59 3kxf h THR 71 Ca 0.02 -0.41 -0.08 0.00 0.77 0.00 0.00 66.41 66.71 3kxf h THR 71 Cb 0.43 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 3kxf h THR 71 CO 0.03 0.15 0.09 1.56 0.37 0.00 0.00 175.52 177.72 3kxf h GLN 72 N 0.41 1.07 -0.27 6.66 1.08 -1.32 -2.42 115.11 120.31 3kxf h GLN 72 Ca 0.12 -0.29 -0.15 0.00 -1.45 0.00 0.00 58.65 56.87 3kxf h GLN 72 Cb 0.09 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.39 3kxf h GLN 72 CO -0.02 0.99 -0.43 1.15 -0.95 0.00 0.00 178.83 179.57 3kxf h THR 73 N 1.00 1.29 0.00 -0.54 2.02 -1.35 -2.65 112.91 112.68 3kxf h THR 73 Ca 0.20 -1.62 -0.00 0.00 0.77 0.00 0.00 66.41 65.75 3kxf h THR 73 Cb 0.45 1.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.52 3kxf h THR 73 CO 0.01 0.52 -0.02 1.88 0.37 0.00 0.00 175.52 178.28 3kxf h TYR 74 N 0.52 0.00 -0.09 3.16 -1.99 -0.97 0.60 116.97 118.20 3kxf h TYR 74 Ca 0.02 0.00 -0.24 0.00 2.00 0.00 0.00 58.73 60.52 3kxf h TYR 74 Cb 1.03 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.77 3kxf h TYR 74 CO 0.08 0.02 -0.88 0.00 -0.00 0.00 0.00 178.16 177.38 3kxf h ARG 75 N 0.00 0.74 0.07 4.88 3.08 -1.31 -2.48 114.38 119.35 3kxf h ARG 75 Ca -0.00 -0.67 -0.00 0.00 0.07 0.00 0.00 59.98 59.38 3kxf h ARG 75 Cb 0.39 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3kxf h ARG 75 CO 0.00 1.27 -0.03 1.49 -1.07 0.00 0.00 179.97 181.63 3kxf h GLU 76 N 0.47 -0.09 -0.72 0.04 4.81 -0.94 -3.06 114.58 115.10 3kxf h GLU 76 Ca -0.08 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.27 3kxf h GLU 76 Cb 1.51 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.83 3kxf h GLU 76 CO 0.18 -0.02 0.32 0.77 -0.73 0.00 0.00 179.01 179.52 3kxf h SER 77 N -0.13 0.37 -0.19 1.04 0.02 -0.92 -2.06 113.55 111.68 3kxf h SER 77 Ca -0.01 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3kxf h SER 77 Cb 0.10 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3kxf h SER 77 CO 0.02 0.19 0.10 -0.07 -1.14 0.00 0.00 176.83 175.93 3kxf h LEU 78 N 0.52 0.17 -0.57 5.07 3.38 -1.39 0.12 115.31 122.61 3kxf h LEU 78 Ca 0.37 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.45 3kxf h LEU 78 Cb 0.47 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.11 3kxf h LEU 78 CO -0.32 0.12 0.08 0.03 0.09 0.00 0.00 178.44 178.44 3kxf h ARG 79 N 0.22 0.19 -0.14 1.13 3.08 -1.34 0.25 114.38 117.77 3kxf h ARG 79 Ca 0.07 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 3kxf h ARG 79 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3kxf h ARG 79 CO -0.04 0.13 0.08 -0.91 -1.07 0.00 0.00 179.97 178.16 3kxf h ASN 80 N 0.20 0.17 1.19 7.04 -0.26 -0.57 -1.18 115.58 122.16 3kxf h ASN 80 Ca 0.30 -0.06 -0.03 0.00 -0.56 0.00 0.00 56.30 55.94 3kxf h ASN 80 Cb 0.45 -0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 37.66 3kxf h ASN 80 CO -0.42 0.18 -0.16 -0.07 -1.06 0.00 0.00 177.43 175.90 3kxf h LEU 81 N 0.14 0.00 -0.55 1.61 4.07 -0.53 0.30 115.31 120.36 3kxf h LEU 81 Ca 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 3kxf h LEU 81 Cb 0.05 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.76 3kxf h LEU 81 CO -0.01 0.16 0.30 -0.09 -1.08 0.00 0.00 178.44 177.73 3kxf h ARG 82 N 0.00 0.76 0.23 1.13 2.43 -0.04 -3.01 114.38 115.88 3kxf h ARG 82 Ca -0.00 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3kxf h ARG 82 Cb 0.80 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3kxf h ARG 82 CO 0.02 0.58 -0.11 0.78 -1.51 0.00 0.00 179.97 179.73 3kxf h GLY 83 N 0.73 -0.33 -0.97 2.80 0.00 -0.44 0.12 103.07 104.98 3kxf h GLY 83 Ca 0.19 0.12 0.40 0.00 0.00 0.00 0.00 47.33 48.04 3kxf h GLY 83 CO -0.03 -0.12 0.54 -1.72 0.00 0.00 0.00 176.54 175.21 3kxf n TYR 84 N -5.00 1.04 0.47 5.60 4.02 0.99 0.88 117.16 125.16 3kxf n TYR 84 Ca -0.08 1.05 0.11 0.00 -0.01 0.00 0.00 57.90 58.97 3kxf n TYR 84 Cb 0.25 -1.46 -0.07 0.00 -0.02 0.00 0.00 39.34 38.04 3kxf n TYR 84 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3kxf n TYR 85 N -5.04 0.15 -2.43 -0.72 4.01 -1.14 -4.81 117.16 107.17 3kxf n TYR 85 Ca 0.36 0.04 -0.04 0.00 -0.16 0.00 0.00 57.90 58.09 3kxf n TYR 85 Cb 1.23 -0.37 0.01 0.00 -0.31 0.00 0.00 39.34 39.89 3kxf n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3kxf n ASN 86 N -1.98 -6.24 -3.90 7.72 5.15 0.25 -5.09 115.26 111.18 3kxf n ASN 86 Ca 0.00 0.53 -0.13 0.00 -0.60 0.00 0.00 54.58 54.38 3kxf n ASN 86 Cb 0.46 -4.11 -0.14 0.00 -0.53 0.00 0.00 39.78 35.46 3kxf n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3kxf s GLN 87 N -1.91 0.15 0.71 1.20 -0.21 0.32 -5.01 119.66 114.91 3kxf s GLN 87 Ca 0.14 -0.07 -0.12 0.00 0.02 0.00 0.00 55.36 55.32 3kxf s GLN 87 Cb -0.04 -0.14 0.02 0.00 1.00 0.00 0.00 33.01 33.85 3kxf s GLN 87 CO 0.55 0.04 1.08 -1.54 -2.12 0.00 0.00 175.29 173.29 3kxf s SER 88 N -0.07 5.05 0.00 5.90 1.04 -1.26 -4.69 113.70 119.68 3kxf s SER 88 Ca 0.00 1.78 0.06 0.00 0.48 0.00 0.00 55.95 58.28 3kxf s SER 88 Cb -0.01 -2.52 0.38 0.00 0.10 0.00 0.00 66.02 63.98 3kxf s SER 88 CO -0.00 -1.67 1.05 -1.84 0.98 0.00 0.00 173.24 171.77 3kxf n GLU 89 N -3.04 0.78 0.24 4.02 0.28 -1.26 -3.24 120.64 118.42 3kxf n GLU 89 Ca 0.09 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.99 3kxf n GLU 89 Cb 0.53 -1.13 -0.05 0.00 1.43 0.00 0.00 31.44 32.23 3kxf n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kxf h ALA 90 N 2.81 -0.94 -2.69 -1.84 0.00 -1.93 -3.46 119.26 111.21 3kxf h ALA 90 Ca 0.00 -0.14 -0.57 0.00 0.00 0.00 0.00 54.91 54.21 3kxf h ALA 90 Cb 0.00 0.24 0.14 0.00 0.00 0.00 0.00 17.79 18.17 3kxf h ALA 90 CO 0.00 -0.89 0.32 0.41 0.00 0.00 0.00 179.25 179.09 3kxf n GLY 91 N -0.65 0.14 3.71 0.00 0.00 -1.20 -4.75 105.19 102.44 3kxf n GLY 91 Ca -0.08 0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3kxf n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kxf s SER 92 N -0.82 5.76 0.07 1.61 0.15 -1.26 -4.88 113.70 114.32 3kxf s SER 92 Ca 0.67 0.20 0.03 0.00 0.70 0.00 0.00 55.95 57.55 3kxf s SER 92 Cb -0.49 -1.89 -0.03 0.00 -1.71 0.00 0.00 66.02 61.90 3kxf s SER 92 CO 0.54 0.27 -0.10 -1.00 1.20 0.00 0.00 173.24 174.15 3kxf s HIS 93 N -0.23 0.94 -0.11 3.44 3.76 -1.26 -5.00 115.29 116.83 3kxf s HIS 93 Ca 0.08 -0.54 0.02 0.00 -0.15 0.00 0.00 55.06 54.47 3kxf s HIS 93 Cb -0.12 -0.54 0.01 0.00 1.11 0.00 0.00 32.58 33.05 3kxf s HIS 93 CO 0.01 -0.02 -0.17 0.42 -0.85 0.00 0.00 174.74 174.13 3kxf s ILE 94 N -1.71 1.64 -0.17 0.60 1.01 -1.26 -1.81 121.20 119.50 3kxf s ILE 94 Ca -0.03 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 3kxf s ILE 94 Cb -0.08 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 3kxf s ILE 94 CO 0.01 0.47 0.09 -0.63 0.00 0.00 0.00 174.94 174.87 3kxf s ILE 95 N 0.92 5.01 0.14 2.92 1.01 -0.14 -0.48 121.20 130.59 3kxf s ILE 95 Ca -0.07 0.04 0.10 0.00 0.00 0.00 0.00 60.65 60.72 3kxf s ILE 95 Cb -0.15 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 3kxf s ILE 95 CO -0.01 0.49 -0.21 -1.10 0.00 0.00 0.00 174.94 174.11 3kxf s GLN 96 N 0.07 1.66 -0.02 2.79 -0.21 -0.27 -0.86 119.66 122.82 3kxf s GLN 96 Ca 0.07 -1.29 -0.06 0.00 0.02 0.00 0.00 55.36 54.10 3kxf s GLN 96 Cb -0.12 -2.02 0.01 0.00 1.00 0.00 0.00 33.01 31.88 3kxf s GLN 96 CO 0.00 0.45 0.13 0.50 -2.12 0.00 0.00 175.29 174.26 3kxf s ARG 97 N -2.28 0.33 -0.23 2.91 3.52 0.06 -1.53 118.95 121.73 3kxf s ARG 97 Ca 0.18 -0.13 -0.03 0.00 -0.13 0.00 0.00 55.73 55.62 3kxf s ARG 97 Cb -0.10 0.14 0.11 0.00 -1.56 0.00 0.00 34.95 33.55 3kxf s ARG 97 CO 0.09 -0.07 0.27 1.41 -0.81 0.00 0.00 175.30 176.20 3kxf s MET 98 N -0.71 0.25 0.03 5.12 -2.45 -0.82 0.02 119.30 120.73 3kxf s MET 98 Ca -0.08 0.18 0.01 0.00 -1.25 0.00 0.00 55.69 54.55 3kxf s MET 98 Cb -0.05 -0.94 -0.02 0.00 1.25 0.00 0.00 34.83 35.07 3kxf s MET 98 CO 0.01 -0.74 -0.05 1.52 1.05 0.00 0.00 175.02 176.81 3kxf s TYR 99 N 2.38 0.43 -1.12 4.11 1.13 -0.73 -1.72 117.35 121.82 3kxf s TYR 99 Ca 0.09 -0.51 0.00 0.00 -1.41 0.00 0.00 57.07 55.24 3kxf s TYR 99 Cb -0.15 -0.28 0.00 0.00 -1.10 0.00 0.00 41.96 40.43 3kxf s TYR 99 CO -0.18 -0.14 0.00 0.41 -2.51 0.00 0.00 175.55 173.13 3kxf n GLY 100 N 1.57 -1.40 3.01 5.49 0.00 -0.98 -0.05 105.19 112.82 3kxf n GLY 100 Ca -0.23 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.58 3kxf n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kxf s ASP 102 N 0.22 6.67 -0.48 0.00 1.01 -0.92 -2.32 116.67 120.86 3kxf s ASP 102 Ca -0.04 0.80 -0.20 0.00 0.71 0.00 0.00 52.55 53.82 3kxf s ASP 102 Cb -0.09 -2.28 0.04 0.00 1.01 0.00 0.00 42.92 41.59 3kxf s ASP 102 CO 0.01 -0.01 0.64 -0.22 0.21 0.00 0.00 175.17 175.80 3kxf s LEU 103 N 0.70 4.70 0.00 1.23 2.96 0.76 -0.43 118.68 128.59 3kxf s LEU 103 Ca 0.26 -0.62 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 3kxf s LEU 103 Cb -0.15 -2.59 0.00 0.00 0.50 0.00 0.00 46.19 43.95 3kxf s LEU 103 CO 0.10 -0.85 0.00 0.61 -1.32 0.00 0.00 176.35 174.89 3kxf n GLY 104 N 5.11 -2.26 0.08 7.98 0.00 0.19 -4.08 105.19 112.22 3kxf n GLY 104 Ca -0.04 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.38 3kxf n GLY 104 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kxf h PRO 105 N 0.00 0.11 -0.90 1.61 0.11 -1.97 -2.69 132.00 128.27 3kxf h PRO 105 Ca 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3kxf h PRO 105 Cb 0.00 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3kxf h PRO 105 CO 0.00 0.76 0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 3kxf n ASP 106 N -4.65 1.05 -3.08 -2.05 5.68 -1.26 -4.78 116.55 107.47 3kxf n ASP 106 Ca -0.09 -1.20 -0.22 0.00 -0.50 0.00 0.00 54.79 52.78 3kxf n ASP 106 Cb 0.39 -0.30 0.03 0.00 -1.14 0.00 0.00 41.12 40.10 3kxf n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kxf n GLY 107 N 0.39 -0.52 3.40 6.12 0.00 -1.01 -4.98 105.19 108.59 3kxf n GLY 107 Ca 0.00 0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 3kxf n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kxf s ARG 108 N -5.75 1.62 -0.25 1.61 1.81 -1.26 -4.87 118.95 111.87 3kxf s ARG 108 Ca 0.32 -1.92 -0.35 0.00 -1.72 0.00 0.00 55.73 52.06 3kxf s ARG 108 Cb -0.15 -0.47 -0.11 0.00 -0.45 0.00 0.00 34.95 33.77 3kxf s ARG 108 CO 0.39 -0.33 2.04 -0.11 -0.68 0.00 0.00 175.30 176.61 3kxf n LEU 109 N -0.64 2.69 -0.02 2.53 7.94 -1.26 0.57 117.00 128.81 3kxf n LEU 109 Ca -0.02 0.65 -0.09 0.00 -1.11 0.00 0.00 56.01 55.45 3kxf n LEU 109 Cb 0.66 -1.31 -0.07 0.00 0.53 0.00 0.00 43.42 43.22 3kxf n LEU 109 CO 0.38 -0.48 0.29 0.25 -1.11 0.00 0.00 177.39 176.72 3kxf h LEU 110 N 10.99 -0.07 -7.14 -1.96 5.85 -1.08 -3.44 115.31 118.47 3kxf h LEU 110 Ca -0.38 -0.49 -0.07 0.00 0.84 0.00 0.00 57.88 57.78 3kxf h LEU 110 Cb 1.30 0.02 -0.20 0.00 0.37 0.00 0.00 40.66 42.14 3kxf h LEU 110 CO 0.98 0.63 0.03 0.00 -0.34 0.00 0.00 178.44 179.75 3kxf s ARG 111 N -2.48 0.86 0.43 1.25 1.70 -1.25 -5.01 118.95 114.45 3kxf s ARG 111 Ca -0.11 0.40 -0.02 0.00 -0.47 0.00 0.00 55.73 55.53 3kxf s ARG 111 Cb -0.01 0.40 -0.02 0.00 -0.57 0.00 0.00 34.95 34.75 3kxf s ARG 111 CO 0.42 -0.21 0.67 0.20 -1.08 0.00 0.00 175.30 175.31 3kxf s GLY 112 N -0.64 1.46 0.03 3.88 0.00 -1.26 -2.17 107.32 108.61 3kxf s GLY 112 Ca -0.07 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 43.86 3kxf s GLY 112 CO 0.05 -0.67 -0.06 0.30 0.00 0.00 0.00 173.10 172.72 3kxf s HIS 113 N -2.55 0.54 -0.30 1.90 3.76 0.23 -4.89 115.29 113.97 3kxf s HIS 113 Ca 0.45 -0.40 -0.07 0.00 -0.15 0.00 0.00 55.06 54.89 3kxf s HIS 113 Cb -0.10 -0.33 0.18 0.00 1.11 0.00 0.00 32.58 33.44 3kxf s HIS 113 CO 0.40 -0.08 0.81 0.34 -0.85 0.00 0.00 174.74 175.36 3kxf s ASP 114 N -1.19 -0.94 -0.03 1.40 -1.08 -1.25 -2.32 116.67 111.26 3kxf s ASP 114 Ca -0.08 0.69 0.03 0.00 -0.52 0.00 0.00 52.55 52.67 3kxf s ASP 114 Cb -0.08 1.83 0.00 0.00 -1.46 0.00 0.00 42.92 43.21 3kxf s ASP 114 CO 0.00 -0.18 -0.11 -1.10 0.52 0.00 0.00 175.17 174.31 3kxf s GLN 115 N 2.86 1.14 0.04 4.34 -0.21 -0.70 -0.97 119.66 126.17 3kxf s GLN 115 Ca 0.09 -0.36 0.05 0.00 0.02 0.00 0.00 55.36 55.16 3kxf s GLN 115 Cb -0.12 -1.04 -0.04 0.00 1.00 0.00 0.00 33.01 32.81 3kxf s GLN 115 CO -0.17 0.13 -0.11 -1.12 -2.12 0.00 0.00 175.29 171.91 3kxf s SER 116 N 0.20 4.34 0.04 5.90 0.01 0.30 -1.94 113.70 122.56 3kxf s SER 116 Ca -0.04 -0.29 0.03 0.00 1.31 0.00 0.00 55.95 56.96 3kxf s SER 116 Cb -0.10 -0.88 -0.02 0.00 0.21 0.00 0.00 66.02 65.23 3kxf s SER 116 CO 0.01 0.24 -0.09 0.00 0.41 0.00 0.00 173.24 173.81 3kxf s ALA 117 N -1.04 0.70 -0.16 1.44 0.00 -0.58 -0.63 121.76 121.48 3kxf s ALA 117 Ca 0.18 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.40 3kxf s ALA 117 Cb -0.11 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.01 3kxf s ALA 117 CO 0.09 0.04 -0.19 -0.47 0.00 0.00 0.00 175.76 175.23 3kxf s TYR 118 N -1.18 2.75 -1.43 0.00 5.04 -0.79 -1.11 117.35 120.63 3kxf s TYR 118 Ca -0.06 -1.42 -0.06 0.00 -2.44 0.00 0.00 57.07 53.09 3kxf s TYR 118 Cb -0.09 -1.88 0.03 0.00 0.35 0.00 0.00 41.96 40.37 3kxf s TYR 118 CO 0.01 -0.68 0.51 -0.25 -1.34 0.00 0.00 175.55 173.80 3kxf n ASP 119 N 4.34 -5.07 0.00 4.32 8.00 0.37 -2.33 116.55 126.18 3kxf n ASP 119 Ca -0.20 -0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.01 3kxf n ASP 119 Cb 0.51 -4.14 0.00 0.00 -0.02 0.00 0.00 41.12 37.47 3kxf n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kxf n GLY 120 N -1.34 2.48 3.75 0.44 0.00 -1.26 -5.02 105.19 104.24 3kxf n GLY 120 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 3kxf n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kxf s LYS 121 N -0.23 3.35 -0.05 1.61 -2.85 -0.98 -5.06 119.74 115.54 3kxf s LYS 121 Ca 0.00 -0.29 -0.38 0.00 -1.00 0.00 0.00 55.97 54.30 3kxf s LYS 121 Cb 0.00 -3.03 -0.17 0.00 -2.06 0.00 0.00 37.83 32.57 3kxf s LYS 121 CO 0.00 0.65 1.43 -0.25 0.10 0.00 0.00 175.35 177.28 3kxf n ASP 122 N 2.35 1.67 0.00 0.03 9.92 -1.26 -1.88 116.55 127.38 3kxf n ASP 122 Ca -0.19 1.11 0.00 0.00 -0.53 0.00 0.00 54.79 55.19 3kxf n ASP 122 Cb 0.54 -1.14 0.00 0.00 -0.64 0.00 0.00 41.12 39.88 3kxf n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kxf n TYR 123 N 3.26 0.00 -4.30 1.24 9.36 0.20 -4.68 117.16 122.24 3kxf n TYR 123 Ca 0.21 0.00 -0.17 0.00 3.32 0.00 0.00 57.90 61.26 3kxf n TYR 123 Cb 0.15 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.76 3kxf n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3kxf s ILE 124 N 0.00 1.50 -0.21 2.97 2.07 -1.00 -1.70 121.20 124.83 3kxf s ILE 124 Ca 0.00 -2.12 -0.19 0.00 -1.41 0.00 0.00 60.65 56.93 3kxf s ILE 124 Cb 0.00 -1.93 0.06 0.00 0.13 0.00 0.00 42.46 40.71 3kxf s ILE 124 CO 0.00 -0.63 0.56 0.00 -1.91 0.00 0.00 174.94 172.96 3kxf s ALA 125 N -3.03 -1.40 0.23 1.50 0.00 -1.07 0.11 121.76 118.11 3kxf s ALA 125 Ca 0.19 1.62 -0.30 0.00 0.00 0.00 0.00 51.96 53.48 3kxf s ALA 125 Cb 0.00 -0.95 -0.09 0.00 0.00 0.00 0.00 23.12 22.09 3kxf s ALA 125 CO 0.04 -0.27 1.16 -1.17 0.00 0.00 0.00 175.76 175.52 3kxf s LEU 126 N 0.41 4.49 0.91 0.00 2.96 -0.14 -0.54 118.68 126.77 3kxf s LEU 126 Ca -0.01 2.28 -0.14 0.00 -0.22 0.00 0.00 54.13 56.04 3kxf s LEU 126 Cb -0.04 -3.62 0.17 0.00 0.50 0.00 0.00 46.19 43.20 3kxf s LEU 126 CO -0.01 -0.29 1.27 0.20 -1.32 0.00 0.00 176.35 176.20 3kxf s ASN 127 N -0.33 3.45 0.31 3.68 0.01 -0.69 -4.59 114.94 116.78 3kxf s ASN 127 Ca 0.49 0.28 0.01 0.00 -0.71 0.00 0.00 52.86 52.93 3kxf s ASN 127 Cb -0.33 -0.43 0.54 0.00 0.41 0.00 0.00 41.25 41.44 3kxf s ASN 127 CO 0.40 -2.52 1.94 -0.08 -1.51 0.00 0.00 177.10 175.33 3kxf h GLU 128 N -1.44 0.98 0.00 -0.60 4.81 -1.90 -2.15 114.58 114.28 3kxf h GLU 128 Ca -0.44 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3kxf h GLU 128 Cb 1.25 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3kxf h GLU 128 CO 0.42 0.65 0.00 0.38 -0.73 0.00 0.00 179.01 179.73 3kxf h ASP 129 N 1.01 0.00 -6.07 1.04 2.03 -1.93 -3.45 116.42 109.03 3kxf h ASP 129 Ca 0.34 0.00 -0.43 0.00 -0.73 0.00 0.00 57.03 56.21 3kxf h ASP 129 Cb 0.09 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 38.64 3kxf h ASP 129 CO -0.11 0.00 -0.74 0.18 -1.03 0.00 0.00 179.24 177.54 3kxf n LEU 130 N -2.36 -3.02 0.00 0.15 4.77 -0.81 -4.81 117.00 110.92 3kxf n LEU 130 Ca 0.01 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 3kxf n LEU 130 Cb 0.17 -2.78 0.00 0.00 -2.33 0.00 0.00 43.42 38.49 3kxf n LEU 130 CO 0.17 0.52 0.00 -1.54 -1.33 0.00 0.00 177.39 175.22 3kxf n SER 131 N -2.95 0.00 -4.23 -1.43 3.41 -1.26 -4.58 113.62 102.58 3kxf n SER 131 Ca -0.04 -0.14 -0.15 0.00 -0.26 0.00 0.00 58.87 58.29 3kxf n SER 131 Cb 0.57 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.41 3kxf n SER 131 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kxf s SER 132 N 0.00 1.71 0.39 4.04 1.04 -1.26 -4.95 113.70 114.68 3kxf s SER 132 Ca 0.00 -0.94 0.08 0.00 0.48 0.00 0.00 55.95 55.57 3kxf s SER 132 Cb 0.00 -0.01 -0.05 0.00 0.10 0.00 0.00 66.02 66.06 3kxf s SER 132 CO 0.00 -0.30 0.18 0.26 0.98 0.00 0.00 173.24 174.36 3kxf s TRP 133 N -2.99 2.64 -0.30 5.02 0.52 -1.26 -1.71 118.94 120.86 3kxf s TRP 133 Ca 0.13 -0.52 0.01 0.00 0.02 0.00 0.00 56.10 55.75 3kxf s TRP 133 Cb 0.00 -1.88 0.09 0.00 -1.15 0.00 0.00 33.47 30.54 3kxf s TRP 133 CO 0.01 0.21 0.04 0.99 0.02 0.00 0.00 176.95 178.21 3kxf s THR 134 N -2.54 1.58 -0.07 2.01 2.01 0.30 -4.86 115.64 114.08 3kxf s THR 134 Ca 0.41 -1.69 -0.28 0.00 0.31 0.00 0.00 61.69 60.44 3kxf s THR 134 Cb 0.01 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 3kxf s THR 134 CO 0.23 -0.48 0.90 0.00 -0.69 0.00 0.00 174.62 174.59 3kxf s ALA 135 N 1.29 3.31 -0.03 7.40 0.00 -1.26 -2.59 121.76 129.88 3kxf s ALA 135 Ca 0.05 0.33 0.12 0.00 0.00 0.00 0.00 51.96 52.47 3kxf s ALA 135 Cb -0.18 -3.26 -0.17 0.00 0.00 0.00 0.00 23.12 19.50 3kxf s ALA 135 CO -0.13 -0.36 0.94 0.00 0.00 0.00 0.00 175.76 176.21 3kxf h ALA 136 N 6.95 0.63 -2.68 0.00 0.00 -1.60 -3.47 119.26 119.09 3kxf h ALA 136 Ca -0.37 -1.08 -0.29 0.00 0.00 0.00 0.00 54.91 53.18 3kxf h ALA 136 Cb 1.18 0.22 -0.14 0.00 0.00 0.00 0.00 17.79 19.05 3kxf h ALA 136 CO 0.79 1.25 -0.56 0.16 0.00 0.00 0.00 179.25 180.89 3kxf s ASP 137 N -6.22 0.52 0.37 0.00 3.84 -1.26 -5.04 116.67 108.88 3kxf s ASP 137 Ca -0.02 -1.46 0.09 0.00 -0.00 0.00 0.00 52.55 51.16 3kxf s ASP 137 Cb 0.09 0.43 0.83 0.00 -1.38 0.00 0.00 42.92 42.90 3kxf s ASP 137 CO 0.81 -0.91 1.92 0.74 -0.00 0.00 0.00 175.17 177.73 3kxf h THR 138 N 2.48 0.91 -0.21 2.11 2.02 -1.99 -0.54 112.91 117.68 3kxf h THR 138 Ca -0.33 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 3kxf h THR 138 Cb 1.25 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 3kxf h THR 138 CO 0.48 0.12 -0.08 0.00 0.37 0.00 0.00 175.52 176.41 3kxf h ALA 139 N 1.61 0.30 0.00 6.16 0.00 -1.97 -2.88 119.26 122.48 3kxf h ALA 139 Ca 0.37 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kxf h ALA 139 Cb 0.55 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3kxf h ALA 139 CO -0.14 0.11 -0.00 0.00 0.00 0.00 0.00 179.25 179.22 3kxf h ALA 140 N 0.72 1.72 -0.20 0.00 0.00 -1.61 -1.46 119.26 118.43 3kxf h ALA 140 Ca 0.05 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3kxf h ALA 140 Cb 0.55 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3kxf h ALA 140 CO 0.03 0.00 -0.26 1.96 0.00 0.00 0.00 179.25 180.97 3kxf h GLN 141 N 0.00 0.38 -0.68 0.00 4.20 -0.93 -1.99 115.11 116.10 3kxf h GLN 141 Ca -0.00 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.52 3kxf h GLN 141 Cb 0.00 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 3kxf h GLN 141 CO 0.00 0.62 0.24 0.82 -0.67 0.00 0.00 178.83 179.85 3kxf h ILE 142 N 0.34 1.25 -0.37 2.54 2.04 -1.19 -2.74 117.51 119.39 3kxf h ILE 142 Ca 0.05 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 3kxf h ILE 142 Cb 0.65 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3kxf h ILE 142 CO 0.05 0.32 0.09 0.74 0.00 0.00 0.00 178.15 179.35 3kxf h THR 143 N 0.97 1.22 -0.03 -0.27 2.02 -1.49 -2.94 112.91 112.39 3kxf h THR 143 Ca 0.22 -0.76 0.04 0.00 0.77 0.00 0.00 66.41 66.68 3kxf h THR 143 Cb 0.25 1.01 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 3kxf h THR 143 CO -0.01 0.26 -0.34 -0.61 0.37 0.00 0.00 175.52 175.19 3kxf h GLN 144 N 0.45 -0.46 -0.16 6.66 4.15 -1.07 0.57 115.11 125.25 3kxf h GLN 144 Ca 0.12 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.62 3kxf h GLN 144 Cb 0.30 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.03 3kxf h GLN 144 CO 0.00 -0.31 -0.24 0.00 -1.93 0.00 0.00 178.83 176.35 3kxf h ARG 145 N -0.48 -0.28 -0.63 1.69 3.08 -1.56 0.65 114.38 116.86 3kxf h ARG 145 Ca 0.07 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.26 3kxf h ARG 145 Cb 0.58 0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.60 3kxf h ARG 145 CO -0.30 -0.19 0.10 -0.22 -1.07 0.00 0.00 179.97 178.30 3kxf h LYS 146 N -0.29 0.21 0.00 0.04 3.64 -1.18 0.99 116.57 119.98 3kxf h LYS 146 Ca 0.11 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 3kxf h LYS 146 Cb 0.46 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3kxf h LYS 146 CO -0.33 0.14 -0.50 -1.49 -2.27 0.00 0.00 179.45 175.00 3kxf h TRP 147 N 0.22 0.00 -0.20 1.91 4.06 0.11 -0.74 115.95 121.31 3kxf h TRP 147 Ca 0.33 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 61.16 3kxf h TRP 147 Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.68 3kxf h TRP 147 CO -0.28 0.50 -0.37 0.93 -3.56 0.00 0.00 178.44 175.66 3kxf h GLU 148 N 0.00 0.60 0.00 0.49 5.08 0.13 -1.61 114.58 119.28 3kxf h GLU 148 Ca -0.00 -0.38 -0.13 0.00 -1.00 0.00 0.00 59.36 57.85 3kxf h GLU 148 Cb 1.10 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 3kxf h GLU 148 CO 0.06 0.99 -0.60 0.00 -1.00 0.00 0.00 179.01 178.47 3kxf h ALA 149 N 0.61 0.88 0.00 3.43 0.00 -0.73 -2.78 119.26 120.67 3kxf h ALA 149 Ca 0.01 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 3kxf h ALA 149 Cb 0.96 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3kxf h ALA 149 CO 0.08 0.75 -0.44 0.00 0.00 0.00 0.00 179.25 179.63 3kxf h ALA 150 N 1.40 0.78 -3.68 0.00 0.00 -1.21 -3.48 119.26 113.06 3kxf h ALA 150 Ca -0.01 -0.28 -0.24 0.00 0.00 0.00 0.00 54.91 54.38 3kxf h ALA 150 Cb 1.15 -0.01 0.07 0.00 0.00 0.00 0.00 17.79 19.00 3kxf h ALA 150 CO 0.08 0.36 -0.40 0.54 0.00 0.00 0.00 179.25 179.83 3kxf n ARG 151 N -3.10 -4.38 -0.28 0.00 1.74 -0.66 -4.94 116.66 105.04 3kxf n ARG 151 Ca 0.02 0.52 0.09 0.00 -0.77 0.00 0.00 57.85 57.70 3kxf n ARG 151 Cb 0.65 -4.58 0.24 0.00 -1.02 0.00 0.00 32.46 27.75 3kxf n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3kxf h VAL 152 N -1.44 0.58 -0.98 1.55 2.07 -1.69 -1.79 116.25 114.54 3kxf h VAL 152 Ca -0.34 -0.15 0.21 0.00 0.82 0.00 0.00 66.70 67.24 3kxf h VAL 152 Cb 1.22 0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 31.01 3kxf h VAL 152 CO 0.34 0.08 0.62 0.00 0.02 0.00 0.00 177.57 178.63 3kxf h ALA 153 N 1.62 2.01 -0.24 1.67 0.00 -1.92 0.17 119.26 122.57 3kxf h ALA 153 Ca 0.48 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 55.26 3kxf h ALA 153 Cb 0.81 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3kxf h ALA 153 CO -0.46 -0.36 -0.57 0.93 0.00 0.00 0.00 179.25 178.79 3kxf h GLU 154 N 0.54 0.75 -0.21 0.00 5.08 -1.62 -1.96 114.58 117.16 3kxf h GLU 154 Ca 0.54 -0.49 -0.16 0.00 -1.00 0.00 0.00 59.36 58.26 3kxf h GLU 154 Cb 1.15 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3kxf h GLU 154 CO -0.28 1.11 -0.52 0.00 -1.00 0.00 0.00 179.01 178.32 3kxf h ALA 155 N 0.78 0.70 -0.02 3.43 0.00 -1.09 -2.66 119.26 120.41 3kxf h ALA 155 Ca 0.01 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3kxf h ALA 155 Cb 1.16 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3kxf h ALA 155 CO 0.12 0.68 0.01 0.00 0.00 0.00 0.00 179.25 180.06 3kxf h ARG 156 N 0.46 0.02 -0.66 0.00 2.47 -0.66 -2.56 114.38 113.46 3kxf h ARG 156 Ca 0.02 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.73 3kxf h ARG 156 Cb 1.06 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.35 3kxf h ARG 156 CO 0.10 0.19 0.40 -0.09 0.56 0.00 0.00 179.97 181.13 3kxf h ARG 157 N -0.14 0.89 -0.96 0.04 2.43 -1.42 -1.11 114.38 114.11 3kxf h ARG 157 Ca 0.01 -0.08 0.13 0.00 -0.81 0.00 0.00 59.98 59.23 3kxf h ARG 157 Cb 0.17 -0.19 -0.09 0.00 -0.42 0.00 0.00 29.97 29.44 3kxf h ARG 157 CO -0.00 0.63 0.58 0.00 -1.51 0.00 0.00 179.97 179.68 3kxf h ALA 158 N 1.21 1.47 0.09 2.80 0.00 -1.37 -1.06 119.26 122.40 3kxf h ALA 158 Ca 0.24 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3kxf h ALA 158 Cb -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3kxf h ALA 158 CO -0.05 0.12 -0.05 -0.92 0.00 0.00 0.00 179.25 178.36 3kxf h TYR 159 N 0.88 -0.12 -0.74 0.00 3.20 -1.04 -2.12 116.97 117.03 3kxf h TYR 159 Ca 0.50 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.38 3kxf h TYR 159 Cb 0.57 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 3kxf h TYR 159 CO -0.02 0.41 0.49 -0.07 -1.64 0.00 0.00 178.16 177.32 3kxf h LEU 160 N -0.79 0.83 0.13 2.82 3.38 -0.81 -0.82 115.31 120.05 3kxf h LEU 160 Ca -0.01 -0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.71 3kxf h LEU 160 Cb 0.58 -0.20 0.03 0.00 0.09 0.00 0.00 40.66 41.16 3kxf h LEU 160 CO 0.02 0.59 -1.00 -0.33 0.09 0.00 0.00 178.44 177.81 3kxf h GLU 161 N 0.98 0.45 0.00 1.13 5.08 -1.37 -3.30 114.58 117.54 3kxf h GLU 161 Ca 0.28 -0.66 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3kxf h GLU 161 Cb -0.07 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3kxf h GLU 161 CO -0.08 1.29 0.00 0.41 -1.00 0.00 0.00 179.01 179.63 3kxf n GLY 162 N 1.49 1.28 0.16 -3.84 0.00 -0.80 -4.30 105.19 99.18 3kxf n GLY 162 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 3kxf n GLY 162 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kxf h LEU 163 N 0.00 0.43 -0.50 0.99 3.38 -1.41 -2.42 115.31 115.79 3kxf h LEU 163 Ca 0.00 -0.26 0.10 0.00 0.09 0.00 0.00 57.88 57.81 3kxf h LEU 163 Cb 0.00 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 40.53 3kxf h LEU 163 CO 0.00 0.58 -0.23 0.00 0.09 0.00 0.00 178.44 178.89 3kxf h VAL 165 N -0.12 1.22 -0.44 0.00 2.07 -1.63 -2.12 116.25 115.23 3kxf h VAL 165 Ca 0.23 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3kxf h VAL 165 Cb 0.48 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3kxf h VAL 165 CO -0.57 0.26 0.23 -0.33 0.02 0.00 0.00 177.57 177.18 3kxf h GLU 166 N 0.65 0.61 -0.02 1.57 5.08 -0.66 -2.94 114.58 118.88 3kxf h GLU 166 Ca 0.16 -0.08 -0.23 0.00 -1.00 0.00 0.00 59.36 58.21 3kxf h GLU 166 Cb 0.23 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.37 3kxf h GLU 166 CO -0.01 0.50 -0.93 -1.49 -1.00 0.00 0.00 179.01 176.08 3kxf h TRP 167 N 0.57 0.74 -0.98 4.33 4.06 -0.17 -2.82 115.95 121.68 3kxf h TRP 167 Ca 0.15 -0.39 0.08 0.00 2.06 0.00 0.00 58.89 60.80 3kxf h TRP 167 Cb 0.07 -0.09 -0.07 0.00 -1.00 0.00 0.00 29.16 28.07 3kxf h TRP 167 CO -0.02 1.20 0.63 1.25 -3.56 0.00 0.00 178.44 177.95 3kxf h LEU 168 N 0.30 0.97 -0.65 -4.49 5.85 -1.40 -0.23 115.31 115.67 3kxf h LEU 168 Ca -0.08 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.54 3kxf h LEU 168 Cb 1.56 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 3kxf h LEU 168 CO 0.17 0.59 -0.22 0.03 -0.34 0.00 0.00 178.44 178.67 3kxf h ARG 169 N 1.08 0.82 -0.40 1.25 3.08 -1.45 0.16 114.38 118.93 3kxf h ARG 169 Ca 0.44 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3kxf h ARG 169 Cb 0.28 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3kxf h ARG 169 CO -0.19 0.96 0.22 -0.09 -1.07 0.00 0.00 179.97 179.80 3kxf h ARG 170 N 0.72 0.56 -0.58 0.04 2.43 -1.08 -2.45 114.38 114.02 3kxf h ARG 170 Ca 0.10 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 3kxf h ARG 170 Cb 0.75 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 3kxf h ARG 170 CO 0.06 0.46 0.06 1.88 -1.51 0.00 0.00 179.97 180.92 3kxf h TYR 171 N 0.52 1.05 0.00 2.20 0.05 -0.85 -2.34 116.97 117.59 3kxf h TYR 171 Ca 0.14 -0.16 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 3kxf h TYR 171 Cb 0.06 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.52 3kxf h TYR 171 CO -0.02 0.92 -0.12 -0.07 -1.05 0.00 0.00 178.16 177.83 3kxf h LEU 172 N 0.88 0.00 0.09 3.88 3.38 -0.56 -2.25 115.31 120.72 3kxf h LEU 172 Ca 0.17 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.82 3kxf h LEU 172 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3kxf h LEU 172 CO 0.02 0.12 -1.74 -0.08 0.09 0.00 0.00 178.44 176.85 3kxf h GLU 173 N 0.00 0.19 0.00 1.13 4.57 -1.35 -3.24 114.58 115.88 3kxf h GLU 173 Ca -0.00 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 3kxf h GLU 173 Cb 0.31 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3kxf h GLU 173 CO 0.02 0.98 -0.30 0.09 -1.18 0.00 0.00 179.01 178.62 3kxf n ASN 174 N -3.35 0.37 -0.30 1.04 5.03 -0.89 -3.43 115.26 113.72 3kxf n ASN 174 Ca -0.22 0.14 0.05 0.00 0.87 0.00 0.00 54.58 55.43 3kxf n ASN 174 Cb 1.05 -0.12 0.08 0.00 -1.02 0.00 0.00 39.78 39.77 3kxf n ASN 174 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kxf n GLY 175 N 1.46 2.88 0.34 7.41 0.00 -0.87 -4.81 105.19 111.60 3kxf n GLY 175 Ca 0.06 -0.64 0.17 0.00 0.00 0.00 0.00 46.02 45.61 3kxf n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kxf h LYS 176 N 0.05 0.57 -0.68 1.61 2.10 -1.58 -0.88 116.57 117.76 3kxf h LYS 176 Ca -0.01 -0.03 0.17 0.00 -2.00 0.00 0.00 60.65 58.78 3kxf h LYS 176 Cb 1.20 -0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 32.36 3kxf h LYS 176 CO 0.00 0.38 0.47 0.93 -2.00 0.00 0.00 179.45 179.23 3kxf h GLU 177 N 0.59 0.14 0.00 0.07 5.08 -1.89 0.22 114.58 118.79 3kxf h GLU 177 Ca 0.63 -0.01 -0.35 0.00 -1.00 0.00 0.00 59.36 58.64 3kxf h GLU 177 Cb 1.19 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.34 3kxf h GLU 177 CO -0.47 0.09 -2.30 0.25 -1.00 0.00 0.00 179.01 175.59 3kxf n THR 178 N -4.40 1.30 -0.02 1.13 -2.24 -0.42 -4.34 114.28 105.30 3kxf n THR 178 Ca 0.13 -0.48 -0.15 0.00 -2.27 0.00 0.00 64.05 61.28 3kxf n THR 178 Cb 0.65 -1.36 -0.04 0.00 -2.10 0.00 0.00 70.33 67.47 3kxf n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3kxf h LEU 179 N -0.10 0.86 -0.27 3.22 3.38 -1.00 -3.16 115.31 118.25 3kxf h LEU 179 Ca -0.52 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 56.91 3kxf h LEU 179 Cb 1.76 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.25 3kxf h LEU 179 CO -0.11 1.33 -0.09 0.00 0.09 0.00 0.00 178.44 179.66 3kxf n GLN 180 N -3.93 0.78 -4.15 1.13 1.13 0.74 -4.88 117.38 108.20 3kxf n GLN 180 Ca -0.06 -0.27 -0.33 0.00 -1.94 0.00 0.00 57.00 54.40 3kxf n GLN 180 Cb 0.72 -1.49 -0.07 0.00 0.11 0.00 0.00 30.24 29.50 3kxf n GLN 180 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3kxf s ARG 181 N -2.41 3.04 -0.17 -1.09 3.52 -1.20 -5.05 118.95 115.60 3kxf s ARG 181 Ca 0.31 -0.47 -0.02 0.00 -0.13 0.00 0.00 55.73 55.42 3kxf s ARG 181 Cb 0.20 -2.84 -0.01 0.00 -1.56 0.00 0.00 34.95 30.74 3kxf s ARG 181 CO 0.46 0.66 -0.09 0.00 -0.81 0.00 0.00 175.30 175.51 3kxf s ALA 182 N -1.13 2.72 -0.32 6.12 0.00 -1.26 -4.82 121.76 123.07 3kxf s ALA 182 Ca 0.21 -1.00 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 3kxf s ALA 182 Cb -0.12 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 3kxf s ALA 182 CO 0.11 -0.03 0.37 -0.51 0.00 0.00 0.00 175.76 175.70 3kxf s ASP 183 N 0.81 6.21 0.70 0.00 1.11 -0.47 -4.71 116.67 120.32 3kxf s ASP 183 Ca -0.03 -0.04 -0.15 0.00 0.18 0.00 0.00 52.55 52.51 3kxf s ASP 183 Cb -0.15 -2.20 0.03 0.00 1.07 0.00 0.00 42.92 41.66 3kxf s ASP 183 CO 0.01 -0.29 1.16 -2.16 1.18 0.00 0.00 175.17 175.07 3kxf s PRO 184 N 2.06 2.40 0.31 8.23 0.04 -1.26 -1.21 135.00 145.57 3kxf s PRO 184 Ca 0.13 1.57 -0.29 0.00 0.04 0.00 0.00 61.00 62.45 3kxf s PRO 184 Cb -0.16 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 3kxf s PRO 184 CO 0.11 -1.59 1.41 -1.25 0.04 0.00 0.00 177.00 175.72 3kxf s PRO 185 N -4.03 4.26 -0.49 0.56 0.04 -1.26 -4.41 135.00 129.66 3kxf s PRO 185 Ca 0.70 2.35 -0.19 0.00 0.04 0.00 0.00 61.00 63.90 3kxf s PRO 185 Cb -0.25 -3.06 0.05 0.00 0.04 0.00 0.00 34.50 31.29 3kxf s PRO 185 CO 0.44 -0.37 0.62 0.21 0.04 0.00 0.00 177.00 177.93 3kxf s LYS 186 N -1.27 3.14 -0.10 4.56 2.20 -0.47 -4.88 119.74 122.92 3kxf s LYS 186 Ca 0.54 -0.81 -0.03 0.00 -0.36 0.00 0.00 55.97 55.32 3kxf s LYS 186 Cb -0.42 -4.07 -0.03 0.00 -1.51 0.00 0.00 37.83 31.79 3kxf s LYS 186 CO 0.51 -1.17 0.02 0.95 -0.36 0.00 0.00 175.35 175.31 3kxf s THR 187 N 2.64 4.50 0.03 3.43 -4.23 -1.26 -2.59 115.64 118.15 3kxf s THR 187 Ca 0.16 -0.17 -0.13 0.00 -1.18 0.00 0.00 61.69 60.37 3kxf s THR 187 Cb -0.18 -2.91 0.02 0.00 1.34 0.00 0.00 72.50 70.76 3kxf s THR 187 CO 0.13 0.60 0.28 -1.38 -0.54 0.00 0.00 174.62 173.70 3kxf s HIS 188 N -0.81 -0.08 0.22 3.99 -3.43 -1.22 -5.01 115.29 108.95 3kxf s HIS 188 Ca 0.13 -0.03 0.06 0.00 -0.80 0.00 0.00 55.06 54.42 3kxf s HIS 188 Cb -0.12 0.06 -0.04 0.00 -1.43 0.00 0.00 32.58 31.06 3kxf s HIS 188 CO 0.02 -0.46 0.20 0.08 -2.00 0.00 0.00 174.74 172.59 3kxf s VAL 189 N -2.27 4.60 0.01 -5.38 1.01 -1.26 -0.97 120.40 116.14 3kxf s VAL 189 Ca -0.07 -1.23 -0.01 0.00 0.00 0.00 0.00 61.98 60.66 3kxf s VAL 189 Cb -0.02 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 3kxf s VAL 189 CO -0.02 -0.27 0.00 0.28 0.00 0.00 0.00 175.10 175.09 3kxf s THR 190 N -1.99 0.09 -0.04 3.92 -1.32 0.19 -4.90 115.64 111.58 3kxf s THR 190 Ca 0.33 -0.74 0.02 0.00 -1.21 0.00 0.00 61.69 60.08 3kxf s THR 190 Cb -0.09 -0.25 0.01 0.00 -1.51 0.00 0.00 72.50 70.66 3kxf s THR 190 CO 0.25 -0.41 -0.08 -2.28 -2.21 0.00 0.00 174.62 169.89 3kxf s HIS 191 N -1.23 0.99 -0.16 9.09 5.04 -1.26 -0.19 115.29 127.57 3kxf s HIS 191 Ca -0.13 -0.30 -0.04 0.00 -1.54 0.00 0.00 55.06 53.05 3kxf s HIS 191 Cb -0.08 -0.76 0.08 0.00 0.04 0.00 0.00 32.58 31.85 3kxf s HIS 191 CO -0.00 -0.17 0.21 -1.01 -2.34 0.00 0.00 174.74 171.42 3kxf s HIS 192 N 0.56 -0.25 -0.25 3.88 3.76 -0.59 -4.99 115.29 117.42 3kxf s HIS 192 Ca -0.09 0.37 -0.35 0.00 -0.15 0.00 0.00 55.06 54.85 3kxf s HIS 192 Cb -0.12 -0.32 -0.11 0.00 1.11 0.00 0.00 32.58 33.14 3kxf s HIS 192 CO 0.01 -0.49 2.05 -2.30 -0.85 0.00 0.00 174.74 173.16 3kxf n PRO 193 N 5.32 1.52 -0.05 8.40 -0.02 -1.26 -0.42 135.00 148.50 3kxf n PRO 193 Ca -0.05 0.49 -0.01 0.00 -2.02 0.00 0.00 63.50 61.90 3kxf n PRO 193 Cb 0.50 -2.57 -0.01 0.00 -0.02 0.00 0.00 33.50 31.39 3kxf n PRO 193 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kxf h VAL 194 N 6.39 0.17 -3.58 -1.45 2.07 -0.76 -3.47 116.25 115.63 3kxf h VAL 194 Ca -0.38 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.02 3kxf h VAL 194 Cb 1.30 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3kxf h VAL 194 CO 0.98 0.06 0.00 -1.20 0.02 0.00 0.00 177.57 177.43 3kxf n SER 195 N -4.76 0.00 0.00 0.57 7.64 -0.57 -4.92 113.62 111.58 3kxf n SER 195 Ca -0.01 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.18 3kxf n SER 195 Cb 0.05 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 3kxf n SER 195 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3kxf n ASP 196 N -2.06 0.00 0.00 6.43 2.03 -1.26 -4.15 116.55 117.54 3kxf n ASP 196 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3kxf n ASP 196 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3kxf n ASP 196 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kxf n HIS 197 N 0.00 0.00 -4.00 -0.67 1.44 -1.26 -5.04 115.22 105.70 3kxf n HIS 197 Ca 0.00 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.62 3kxf n HIS 197 Cb 0.00 0.11 -0.08 0.00 0.12 0.00 0.00 29.99 30.14 3kxf n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3kxf s GLU 198 N 0.00 0.94 -0.20 -1.40 2.02 -1.26 -2.12 118.70 116.68 3kxf s GLU 198 Ca 0.00 -1.19 -0.27 0.00 0.02 0.00 0.00 54.97 53.53 3kxf s GLU 198 Cb 0.00 0.31 0.07 0.00 0.10 0.00 0.00 34.13 34.61 3kxf s GLU 198 CO 0.00 -0.30 0.72 0.00 0.02 0.00 0.00 175.26 175.70 3kxf s ALA 199 N -3.95 -1.78 0.20 5.21 0.00 -0.24 -0.03 121.76 121.15 3kxf s ALA 199 Ca 0.14 1.80 -0.24 0.00 0.00 0.00 0.00 51.96 53.65 3kxf s ALA 199 Cb 0.05 -0.81 -0.08 0.00 0.00 0.00 0.00 23.12 22.29 3kxf s ALA 199 CO -0.04 -0.35 0.78 0.95 0.00 0.00 0.00 175.76 177.11 3kxf s THR 200 N -0.14 4.39 -0.22 0.00 -4.23 0.45 -0.69 115.64 115.20 3kxf s THR 200 Ca -0.03 1.63 -0.03 0.00 -1.18 0.00 0.00 61.69 62.08 3kxf s THR 200 Cb -0.03 -4.07 0.00 0.00 1.34 0.00 0.00 72.50 69.74 3kxf s THR 200 CO 0.04 0.42 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.71 3kxf s LEU 201 N -1.42 2.83 -0.24 4.79 1.43 0.13 -1.54 118.68 124.67 3kxf s LEU 201 Ca 0.39 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.93 3kxf s LEU 201 Cb -0.21 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 3kxf s LEU 201 CO 0.25 -0.03 0.04 -0.60 0.23 0.00 0.00 176.35 176.24 3kxf s ARG 202 N 1.43 3.62 -0.27 1.70 3.52 0.73 -2.28 118.95 127.40 3kxf s ARG 202 Ca 0.05 -0.50 -0.14 0.00 -0.13 0.00 0.00 55.73 55.01 3kxf s ARG 202 Cb -0.14 -3.24 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 3kxf s ARG 202 CO -0.05 -0.14 0.35 0.00 -0.81 0.00 0.00 175.30 174.65 3kxf s TRP 204 N 2.03 3.45 -0.21 0.00 0.52 -0.15 -1.63 118.94 122.96 3kxf s TRP 204 Ca 0.14 0.27 -0.04 0.00 0.02 0.00 0.00 56.10 56.49 3kxf s TRP 204 Cb -0.16 -1.77 0.07 0.00 -1.15 0.00 0.00 33.47 30.46 3kxf s TRP 204 CO 0.10 0.60 0.09 0.00 0.02 0.00 0.00 176.95 177.76 3kxf s ALA 205 N -1.34 0.62 0.20 0.98 0.00 -0.24 -3.42 121.76 118.55 3kxf s ALA 205 Ca 0.28 -0.62 0.11 0.00 0.00 0.00 0.00 51.96 51.73 3kxf s ALA 205 Cb -0.13 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 3kxf s ALA 205 CO 0.20 -1.31 -0.19 -0.51 0.00 0.00 0.00 175.76 173.95 3kxf s LEU 206 N 2.06 2.61 -1.46 0.00 1.43 -1.07 -1.28 118.68 120.98 3kxf s LEU 206 Ca 0.04 -0.80 -0.10 0.00 -1.03 0.00 0.00 54.13 52.23 3kxf s LEU 206 Cb -0.16 -1.31 0.06 0.00 0.03 0.00 0.00 46.19 44.81 3kxf s LEU 206 CO -0.16 0.10 0.78 0.61 0.23 0.00 0.00 176.35 177.91 3kxf n GLY 207 N 0.08 -0.50 3.88 -3.19 0.00 -0.91 -1.37 105.19 103.17 3kxf n GLY 207 Ca -0.11 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 3kxf n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kxf s PHE 208 N -3.17 3.27 -0.21 1.61 -0.71 -0.85 -4.74 117.98 113.18 3kxf s PHE 208 Ca 0.51 -0.03 -0.14 0.00 -1.04 0.00 0.00 56.93 56.23 3kxf s PHE 208 Cb -0.25 -1.52 0.06 0.00 -1.21 0.00 0.00 43.02 40.10 3kxf s PHE 208 CO 0.63 0.50 0.53 -0.47 -1.34 0.00 0.00 175.22 175.06 3kxf s TYR 209 N -1.94 -0.72 0.97 3.49 5.04 -0.35 -0.35 117.35 123.49 3kxf s TYR 209 Ca 0.33 1.56 -0.16 0.00 -2.44 0.00 0.00 57.07 56.36 3kxf s TYR 209 Cb -0.09 0.34 0.23 0.00 0.35 0.00 0.00 41.96 42.79 3kxf s TYR 209 CO 0.26 -0.37 1.18 -0.35 -1.34 0.00 0.00 175.55 174.93 3kxf n PRO 210 N 3.77 -1.67 0.24 4.97 -0.04 -1.26 -1.37 135.00 139.64 3kxf n PRO 210 Ca -0.19 -1.83 0.09 0.00 -0.04 0.00 0.00 63.50 61.53 3kxf n PRO 210 Cb 0.57 -1.33 0.60 0.00 -0.04 0.00 0.00 33.50 33.29 3kxf n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kxf h ALA 211 N -2.04 1.37 -1.91 0.55 0.00 -1.95 -3.43 119.26 111.84 3kxf h ALA 211 Ca -0.39 -0.16 -0.61 0.00 0.00 0.00 0.00 54.91 53.74 3kxf h ALA 211 Cb 1.12 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.89 3kxf h ALA 211 CO 0.27 0.23 1.24 -1.91 0.00 0.00 0.00 179.25 179.08 3kxf n GLU 212 N -3.84 2.05 -3.74 0.00 4.07 -1.26 -4.94 120.64 112.98 3kxf n GLU 212 Ca -0.02 0.70 -0.10 0.00 -0.06 0.00 0.00 57.16 57.68 3kxf n GLU 212 Cb 0.28 -2.77 -0.04 0.00 -0.06 0.00 0.00 31.44 28.85 3kxf n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3kxf s ILE 213 N 5.42 0.04 -0.27 6.31 2.07 -1.26 -4.60 121.20 128.91 3kxf s ILE 213 Ca 0.97 -0.80 -0.02 0.00 -1.41 0.00 0.00 60.65 59.38 3kxf s ILE 213 Cb -0.62 -1.50 0.11 0.00 0.13 0.00 0.00 42.46 40.58 3kxf s ILE 213 CO 0.47 -0.19 0.22 -0.89 -1.91 0.00 0.00 174.94 172.64 3kxf s THR 214 N -3.87 -0.27 -0.32 4.00 2.01 -0.73 -4.95 115.64 111.51 3kxf s THR 214 Ca 0.09 -0.50 -0.08 0.00 0.31 0.00 0.00 61.69 61.51 3kxf s THR 214 Cb 0.00 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.61 3kxf s THR 214 CO -0.05 -0.50 0.12 -0.76 -0.69 0.00 0.00 174.62 172.74 3kxf s LEU 215 N 2.26 4.18 0.01 4.42 1.02 -1.26 -2.03 118.68 127.29 3kxf s LEU 215 Ca 0.09 -0.84 0.03 0.00 0.02 0.00 0.00 54.13 53.43 3kxf s LEU 215 Cb -0.15 -1.93 -0.01 0.00 0.02 0.00 0.00 46.19 44.12 3kxf s LEU 215 CO -0.30 -0.26 -0.10 0.42 0.02 0.00 0.00 176.35 176.13 3kxf s THR 216 N 1.51 0.78 0.07 5.49 -4.23 -1.05 -4.92 115.64 113.28 3kxf s THR 216 Ca 0.02 -0.64 -0.04 0.00 -1.18 0.00 0.00 61.69 59.85 3kxf s THR 216 Cb -0.18 -0.69 -0.05 0.00 1.34 0.00 0.00 72.50 72.92 3kxf s THR 216 CO 0.04 0.06 0.28 0.26 -0.54 0.00 0.00 174.62 174.72 3kxf s TRP 217 N -0.54 3.52 -0.04 3.99 0.52 -1.26 -1.44 118.94 123.70 3kxf s TRP 217 Ca 0.01 0.44 -0.01 0.00 0.02 0.00 0.00 56.10 56.56 3kxf s TRP 217 Cb -0.05 -1.91 0.03 0.00 -1.15 0.00 0.00 33.47 30.39 3kxf s TRP 217 CO 0.00 0.55 0.05 -0.65 0.02 0.00 0.00 176.95 176.92 3kxf s GLN 218 N -2.30 0.01 -0.03 4.98 -0.21 -0.55 -1.92 119.66 119.63 3kxf s GLN 218 Ca 0.34 0.30 -0.15 0.00 0.02 0.00 0.00 55.36 55.87 3kxf s GLN 218 Cb -0.13 -0.48 -0.32 0.00 1.00 0.00 0.00 33.01 33.08 3kxf s GLN 218 CO 0.23 -0.28 0.80 -0.09 -2.12 0.00 0.00 175.29 173.83 3kxf h ARG 219 N 8.10 0.41 0.00 2.91 2.43 -1.75 -2.33 114.38 124.16 3kxf h ARG 219 Ca -0.22 -0.71 0.00 0.00 -0.81 0.00 0.00 59.98 58.24 3kxf h ARG 219 Cb 1.12 0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 3kxf h ARG 219 CO 0.25 1.34 0.00 -0.25 -1.51 0.00 0.00 179.97 179.80 3kxf n ASP 220 N -3.77 0.00 0.15 -3.80 8.00 -1.26 -4.70 116.55 111.17 3kxf n ASP 220 Ca -0.20 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.37 3kxf n ASP 220 Cb 1.02 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 42.19 3kxf n ASP 220 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3kxf h GLY 221 N 0.00 0.00 -4.75 0.44 0.00 -2.00 -3.46 103.07 93.30 3kxf h GLY 221 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 3kxf h GLY 221 CO 0.00 0.00 -0.13 -1.83 0.00 0.00 0.00 176.54 174.58 3kxf s GLU 222 N -3.14 4.02 0.70 4.80 -1.05 -1.26 -5.07 118.70 117.71 3kxf s GLU 222 Ca 0.04 0.53 -0.16 0.00 -0.15 0.00 0.00 54.97 55.23 3kxf s GLU 222 Cb 0.07 -3.18 0.02 0.00 -0.44 0.00 0.00 34.13 30.60 3kxf s GLU 222 CO 0.73 0.64 1.21 -0.51 0.95 0.00 0.00 175.26 178.29 3kxf s ASP 223 N -1.19 4.38 -0.48 0.83 1.11 -1.26 -4.23 116.67 115.82 3kxf s ASP 223 Ca 0.28 2.37 0.03 0.00 0.18 0.00 0.00 52.55 55.40 3kxf s ASP 223 Cb -0.17 -2.59 0.58 0.00 1.07 0.00 0.00 42.92 41.81 3kxf s ASP 223 CO 0.16 -2.14 1.87 0.00 1.18 0.00 0.00 175.17 176.24 3kxf n GLN 224 N -2.51 2.37 -0.27 8.23 1.13 -0.81 -4.64 117.38 120.88 3kxf n GLN 224 Ca 0.14 -3.16 0.07 0.00 -1.94 0.00 0.00 57.00 52.11 3kxf n GLN 224 Cb 0.50 -2.17 0.22 0.00 0.11 0.00 0.00 30.24 28.90 3kxf n GLN 224 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 3kxf h THR 225 N 1.05 0.57 -3.32 5.09 1.35 -1.92 0.42 112.91 116.16 3kxf h THR 225 Ca 0.57 -0.13 -0.73 0.00 -0.55 0.00 0.00 66.41 65.56 3kxf h THR 225 Cb 2.10 0.14 -0.26 0.00 -1.73 0.00 0.00 68.15 68.40 3kxf h THR 225 CO 1.14 0.07 -0.37 -1.10 -0.25 0.00 0.00 175.52 175.01 3kxf s GLN 226 N -5.99 2.76 -0.34 4.72 1.11 -1.26 -2.10 119.66 118.55 3kxf s GLN 226 Ca -0.12 -1.53 -0.01 0.00 0.01 0.00 0.00 55.36 53.71 3kxf s GLN 226 Cb 0.22 -4.00 0.12 0.00 -1.01 0.00 0.00 33.01 28.34 3kxf s GLN 226 CO 0.77 -1.09 0.16 0.16 0.01 0.00 0.00 175.29 175.30 3kxf s ASP 227 N 2.62 3.60 -0.12 5.90 1.47 -1.01 -5.11 116.67 124.02 3kxf s ASP 227 Ca 0.04 -1.91 -0.11 0.00 1.18 0.00 0.00 52.55 51.74 3kxf s ASP 227 Cb -0.25 -0.69 -0.05 0.00 -0.34 0.00 0.00 42.92 41.59 3kxf s ASP 227 CO 0.03 -0.36 0.25 0.28 0.68 0.00 0.00 175.17 176.04 3kxf s THR 228 N 1.31 5.33 -0.31 2.11 -1.32 0.15 -4.50 115.64 118.40 3kxf s THR 228 Ca 0.13 0.45 -0.15 0.00 -1.21 0.00 0.00 61.69 60.92 3kxf s THR 228 Cb -0.20 -3.55 -0.02 0.00 -1.51 0.00 0.00 72.50 67.21 3kxf s THR 228 CO -0.16 0.51 0.34 -0.70 -2.21 0.00 0.00 174.62 172.40 3kxf s GLU 229 N -0.33 3.75 -0.10 7.08 2.12 0.29 -4.90 118.70 126.61 3kxf s GLU 229 Ca 0.16 -0.27 0.03 0.00 0.36 0.00 0.00 54.97 55.25 3kxf s GLU 229 Cb -0.13 -3.74 -0.01 0.00 0.26 0.00 0.00 34.13 30.51 3kxf s GLU 229 CO 0.05 -0.41 -0.18 -1.17 -0.54 0.00 0.00 175.26 173.01 3kxf s LEU 230 N 2.00 2.43 0.25 2.70 2.96 -1.26 -0.16 118.68 127.60 3kxf s LEU 230 Ca 0.12 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 53.60 3kxf s LEU 230 Cb -0.16 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 3kxf s LEU 230 CO 0.11 0.20 0.46 0.68 -1.32 0.00 0.00 176.35 176.48 3kxf s VAL 231 N 0.13 5.14 0.40 1.68 -7.23 -1.12 -5.06 120.40 114.34 3kxf s VAL 231 Ca -0.09 -0.26 -0.27 0.00 -1.81 0.00 0.00 61.98 59.54 3kxf s VAL 231 Cb -0.16 -3.75 -0.10 0.00 0.56 0.00 0.00 36.38 32.93 3kxf s VAL 231 CO 0.06 -0.27 1.48 -1.61 -0.31 0.00 0.00 175.10 174.45 3kxf s GLU 232 N -3.52 3.99 0.30 4.82 2.02 -1.26 -4.66 118.70 120.39 3kxf s GLU 232 Ca 0.40 2.54 -0.30 0.00 0.02 0.00 0.00 54.97 57.64 3kxf s GLU 232 Cb -0.11 -2.88 -0.12 0.00 0.10 0.00 0.00 34.13 31.12 3kxf s GLU 232 CO 0.30 -0.62 1.47 2.41 0.02 0.00 0.00 175.26 178.84 3kxf n THR 233 N 0.27 1.34 -4.19 3.63 -1.04 -1.26 -4.86 114.28 108.17 3kxf n THR 233 Ca 0.02 -0.33 -0.18 0.00 -2.04 0.00 0.00 64.05 61.51 3kxf n THR 233 Cb 0.40 -1.75 -0.12 0.00 -1.82 0.00 0.00 70.33 67.04 3kxf n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kxf s ARG 234 N -0.98 0.88 0.26 -2.82 1.70 -0.70 -4.97 118.95 112.33 3kxf s ARG 234 Ca 0.62 -1.05 -0.30 0.00 -0.47 0.00 0.00 55.73 54.54 3kxf s ARG 234 Cb -0.55 -0.84 -0.09 0.00 -0.57 0.00 0.00 34.95 32.89 3kxf s ARG 234 CO 0.54 0.18 1.07 -1.25 -1.08 0.00 0.00 175.30 174.75 3kxf s PRO 235 N -2.05 4.68 0.20 3.89 0.04 -1.26 -0.98 135.00 139.52 3kxf s PRO 235 Ca 0.01 1.74 0.06 0.00 0.04 0.00 0.00 61.00 62.85 3kxf s PRO 235 Cb -0.08 -3.21 0.09 0.00 0.04 0.00 0.00 34.50 31.33 3kxf s PRO 235 CO 0.02 0.26 1.45 0.00 0.04 0.00 0.00 177.00 178.77 3kxf h ALA 236 N 3.97 0.66 0.00 8.56 0.00 -1.81 -3.46 119.26 127.17 3kxf h ALA 236 Ca -0.46 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.75 3kxf h ALA 236 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3kxf h ALA 236 CO 0.67 0.93 0.00 0.41 0.00 0.00 0.00 179.25 181.26 3kxf n GLY 237 N 0.73 0.75 0.07 0.00 0.00 -1.26 -4.93 105.19 100.55 3kxf n GLY 237 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 3kxf n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kxf n ASP 238 N 0.00 2.14 0.00 1.61 5.68 -1.26 -4.98 116.55 119.74 3kxf n ASP 238 Ca 0.00 -2.14 0.00 0.00 -0.50 0.00 0.00 54.79 52.15 3kxf n ASP 238 Cb 0.00 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 3kxf n ASP 238 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3kxf n ARG 239 N -0.54 0.00 -2.76 0.11 1.74 -1.26 -5.07 116.66 108.88 3kxf n ARG 239 Ca 0.03 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.90 3kxf n ARG 239 Cb 0.32 -0.25 0.07 0.00 -1.02 0.00 0.00 32.46 31.59 3kxf n ARG 239 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3kxf s THR 240 N -2.19 2.31 0.16 0.55 -4.23 -1.26 -4.94 115.64 106.04 3kxf s THR 240 Ca 0.00 -0.76 0.05 0.00 -1.18 0.00 0.00 61.69 59.81 3kxf s THR 240 Cb 0.00 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 3kxf s THR 240 CO 0.00 0.00 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.61 3kxf s PHE 241 N -2.87 1.37 0.11 3.99 0.40 0.53 -2.46 117.98 119.04 3kxf s PHE 241 Ca 0.62 -0.72 0.04 0.00 -0.60 0.00 0.00 56.93 56.28 3kxf s PHE 241 Cb -0.07 -0.68 -0.04 0.00 0.51 0.00 0.00 43.02 42.75 3kxf s PHE 241 CO 0.41 0.15 -0.11 -0.65 0.70 0.00 0.00 175.22 175.71 3kxf s GLN 242 N -3.72 0.92 -0.11 0.44 -0.21 -0.15 -2.02 119.66 114.81 3kxf s GLN 242 Ca 0.18 -1.21 -0.30 0.00 0.02 0.00 0.00 55.36 54.05 3kxf s GLN 242 Cb 0.02 -0.65 0.11 0.00 1.00 0.00 0.00 33.01 33.49 3kxf s GLN 242 CO 0.02 0.11 0.89 0.21 -2.12 0.00 0.00 175.29 174.40 3kxf s LYS 243 N -2.84 0.76 0.05 2.91 2.20 -0.40 -1.71 119.74 120.70 3kxf s LYS 243 Ca 0.07 0.13 -0.00 0.00 -0.36 0.00 0.00 55.97 55.81 3kxf s LYS 243 Cb -0.03 0.36 -0.04 0.00 -1.51 0.00 0.00 37.83 36.61 3kxf s LYS 243 CO 0.01 -0.25 -0.04 1.67 -0.36 0.00 0.00 175.35 176.39 3kxf s TRP 244 N -1.34 0.53 -0.05 4.03 1.48 -1.26 -1.08 118.94 121.25 3kxf s TRP 244 Ca -0.04 -0.97 0.01 0.00 -1.06 0.00 0.00 56.10 54.04 3kxf s TRP 244 Cb -0.00 -0.38 0.02 0.00 -1.16 0.00 0.00 33.47 31.95 3kxf s TRP 244 CO 0.03 -0.32 -0.07 0.00 -4.06 0.00 0.00 176.95 172.53 3kxf s ALA 245 N -3.51 0.88 0.06 2.67 0.00 -0.64 -2.81 121.76 118.41 3kxf s ALA 245 Ca 0.04 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 51.87 3kxf s ALA 245 Cb 0.05 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 3kxf s ALA 245 CO -0.08 -0.01 -0.16 0.00 0.00 0.00 0.00 175.76 175.50 3kxf s ALA 246 N 0.92 1.36 0.03 0.00 0.00 0.78 -0.27 121.76 124.58 3kxf s ALA 246 Ca -0.11 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.88 3kxf s ALA 246 Cb -0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3kxf s ALA 246 CO 0.01 0.25 -0.05 0.14 0.00 0.00 0.00 175.76 176.11 3kxf s VAL 247 N -1.02 0.32 -0.19 0.00 -7.23 -0.97 0.11 120.40 111.43 3kxf s VAL 247 Ca 0.02 -1.03 -0.19 0.00 -1.81 0.00 0.00 61.98 58.97 3kxf s VAL 247 Cb -0.09 -0.47 -0.03 0.00 0.56 0.00 0.00 36.38 36.34 3kxf s VAL 247 CO 0.02 -0.46 0.55 0.68 -0.31 0.00 0.00 175.10 175.58 3kxf s VAL 248 N -1.51 5.09 0.17 1.32 -7.23 -1.26 -0.69 120.40 116.29 3kxf s VAL 248 Ca -0.12 1.03 0.10 0.00 -1.81 0.00 0.00 61.98 61.18 3kxf s VAL 248 Cb -0.09 -3.87 -0.04 0.00 0.56 0.00 0.00 36.38 32.93 3kxf s VAL 248 CO -0.01 0.18 -0.22 0.68 -0.31 0.00 0.00 175.10 175.42 3kxf s VAL 249 N 1.56 2.11 0.34 1.32 -7.23 0.14 -4.94 120.40 113.70 3kxf s VAL 249 Ca 0.26 -1.92 -0.28 0.00 -1.81 0.00 0.00 61.98 58.23 3kxf s VAL 249 Cb -0.16 -1.96 -0.10 0.00 0.56 0.00 0.00 36.38 34.72 3kxf s VAL 249 CO 0.10 -0.15 1.27 -2.84 -0.31 0.00 0.00 175.10 173.17 3kxf s PRO 250 N -2.57 4.33 -0.85 4.82 0.02 -1.26 -1.08 135.00 138.41 3kxf s PRO 250 Ca 0.17 2.13 -0.23 0.00 0.02 0.00 0.00 61.00 63.09 3kxf s PRO 250 Cb -0.08 -3.02 -0.16 0.00 0.02 0.00 0.00 34.50 31.26 3kxf s PRO 250 CO 0.08 -0.18 1.90 -1.13 -0.33 0.00 0.00 177.00 177.34 3kxf n SER 251 N 0.72 2.52 0.00 2.53 3.41 -0.90 -4.14 113.62 117.77 3kxf n SER 251 Ca 0.01 -2.66 0.00 0.00 -0.26 0.00 0.00 58.87 55.95 3kxf n SER 251 Cb 0.43 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 3kxf n SER 251 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kxf n GLY 252 N 5.03 0.09 0.00 5.00 0.00 -1.26 -4.95 105.19 109.10 3kxf n GLY 252 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 3kxf n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kxf n GLU 253 N -1.13 0.00 0.10 1.61 1.02 -1.26 -4.91 120.64 116.06 3kxf n GLU 253 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 3kxf n GLU 253 Cb 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 31.44 31.59 3kxf n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kxf h GLU 254 N 0.00 0.21 -0.99 3.49 3.07 -1.93 -3.10 114.58 115.33 3kxf h GLU 254 Ca 0.00 -0.12 0.37 0.00 -0.50 0.00 0.00 59.36 59.10 3kxf h GLU 254 Cb 0.00 0.01 -0.18 0.00 -0.84 0.00 0.00 28.75 27.75 3kxf h GLU 254 CO 0.00 0.69 0.41 -0.56 -1.40 0.00 0.00 179.01 178.14 3kxf h GLN 255 N 0.17 0.05 0.00 2.33 3.07 -1.94 -1.37 115.11 117.42 3kxf h GLN 255 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3kxf h GLN 255 Cb 0.98 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.53 3kxf h GLN 255 CO 0.08 0.03 0.00 -2.13 0.09 0.00 0.00 178.83 176.90 3kxf n ARG 256 N -5.29 0.63 -4.66 0.06 0.63 -1.17 -4.73 116.66 102.14 3kxf n ARG 256 Ca 0.33 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.96 3kxf n ARG 256 Cb 1.10 -1.08 -0.17 0.00 0.45 0.00 0.00 32.46 32.76 3kxf n ARG 256 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3kxf s TYR 257 N -2.00 2.27 -0.05 -0.14 2.02 -0.52 -4.29 117.35 114.65 3kxf s TYR 257 Ca 0.05 -1.07 0.05 0.00 -0.37 0.00 0.00 57.07 55.74 3kxf s TYR 257 Cb 0.02 -1.58 -0.01 0.00 -0.40 0.00 0.00 41.96 39.99 3kxf s TYR 257 CO 0.04 -0.50 -0.21 0.95 -1.57 0.00 0.00 175.55 174.25 3kxf s THR 258 N 0.81 1.76 0.14 -0.71 -4.23 -0.88 -4.55 115.64 107.98 3kxf s THR 258 Ca -0.09 -0.91 -0.05 0.00 -1.18 0.00 0.00 61.69 59.46 3kxf s THR 258 Cb -0.16 -1.50 -0.06 0.00 1.34 0.00 0.00 72.50 72.13 3kxf s THR 258 CO 0.00 0.50 0.38 0.00 -0.54 0.00 0.00 174.62 174.95 3kxf s HIS 260 N -1.64 0.29 -0.05 0.00 3.76 -0.52 -0.22 115.29 116.90 3kxf s HIS 260 Ca 0.40 -0.34 -0.01 0.00 -0.15 0.00 0.00 55.06 54.96 3kxf s HIS 260 Cb -0.12 -0.72 -0.04 0.00 1.11 0.00 0.00 32.58 32.81 3kxf s HIS 260 CO 0.24 -0.50 0.03 0.14 -0.85 0.00 0.00 174.74 173.81 3kxf s VAL 261 N 2.10 4.48 -0.06 -0.90 -7.23 0.38 -2.54 120.40 116.64 3kxf s VAL 261 Ca 0.02 -0.32 0.03 0.00 -1.81 0.00 0.00 61.98 59.90 3kxf s VAL 261 Cb -0.16 -2.95 0.01 0.00 0.56 0.00 0.00 36.38 33.84 3kxf s VAL 261 CO -0.08 0.50 -0.13 -1.10 -0.31 0.00 0.00 175.10 173.98 3kxf s GLN 262 N -1.23 1.72 0.00 4.82 -0.21 -0.86 -2.25 119.66 121.64 3kxf s GLN 262 Ca 0.17 -0.45 0.00 0.00 0.02 0.00 0.00 55.36 55.10 3kxf s GLN 262 Cb -0.12 -1.43 0.00 0.00 1.00 0.00 0.00 33.01 32.47 3kxf s GLN 262 CO 0.07 0.06 0.00 1.58 -2.12 0.00 0.00 175.29 174.88 3kxf n HIS 263 N 3.69 -0.00 0.08 0.91 -0.00 -1.26 -1.78 115.22 116.87 3kxf n HIS 263 Ca -0.22 0.00 0.02 0.00 0.46 0.00 0.00 57.72 57.98 3kxf n HIS 263 Cb 0.52 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.36 3kxf n HIS 263 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 3kxf n GLU 264 N 0.00 2.13 -0.11 1.57 1.02 -1.26 -4.47 120.64 119.52 3kxf n GLU 264 Ca 0.00 -0.03 0.11 0.00 -0.02 0.00 0.00 57.16 57.23 3kxf n GLU 264 Cb 0.00 -0.97 0.29 0.00 -0.02 0.00 0.00 31.44 30.74 3kxf n GLU 264 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kxf n GLY 265 N 1.81 0.95 3.48 0.62 0.00 -1.26 -4.82 105.19 105.96 3kxf n GLY 265 Ca -0.00 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 3kxf n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kxf s LEU 266 N -1.60 3.53 0.02 0.99 1.43 -1.26 -4.57 118.68 117.21 3kxf s LEU 266 Ca 0.35 -0.16 -0.24 0.00 -1.03 0.00 0.00 54.13 53.04 3kxf s LEU 266 Cb 0.20 -1.95 -0.18 0.00 0.03 0.00 0.00 46.19 44.30 3kxf s LEU 266 CO 0.29 -0.02 1.41 1.55 0.23 0.00 0.00 176.35 179.82 3kxf h PRO 267 N 8.11 0.04 -5.57 1.29 0.13 -1.93 -3.43 132.00 130.63 3kxf h PRO 267 Ca -0.38 -0.02 -0.66 0.00 -0.87 0.00 0.00 66.00 64.08 3kxf h PRO 267 Cb 1.18 -0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.08 3kxf h PRO 267 CO 0.58 0.38 -0.71 -1.59 -0.23 0.00 0.00 178.00 176.44 3kxf s LYS 268 N -4.81 3.30 -0.32 0.86 -2.85 -1.26 -5.06 119.74 109.60 3kxf s LYS 268 Ca -0.15 -0.59 -0.32 0.00 -1.00 0.00 0.00 55.97 53.92 3kxf s LYS 268 Cb 0.03 -2.72 -0.09 0.00 -2.06 0.00 0.00 37.83 33.00 3kxf s LYS 268 CO 0.68 0.36 2.23 -0.35 0.10 0.00 0.00 175.35 178.36 3kxf n PRO 269 N 3.14 1.40 -2.34 1.78 -0.04 -1.26 -4.90 135.00 132.78 3kxf n PRO 269 Ca -0.18 0.36 -0.41 0.00 -0.04 0.00 0.00 63.50 63.24 3kxf n PRO 269 Cb 0.53 -2.80 -0.03 0.00 -0.04 0.00 0.00 33.50 31.15 3kxf n PRO 269 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3kxf s LEU 270 N 8.01 4.47 -0.06 1.53 2.96 -0.96 -4.84 118.68 129.80 3kxf s LEU 270 Ca 1.06 2.35 0.03 0.00 -0.22 0.00 0.00 54.13 57.35 3kxf s LEU 270 Cb -0.62 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 42.45 3kxf s LEU 270 CO 0.42 -0.35 -0.15 0.42 -1.32 0.00 0.00 176.35 175.38 3kxf s THR 271 N -0.56 1.28 0.19 3.68 -4.23 -1.26 -0.47 115.64 114.28 3kxf s THR 271 Ca 0.50 -0.60 0.08 0.00 -1.18 0.00 0.00 61.69 60.49 3kxf s THR 271 Cb -0.34 -1.14 -0.05 0.00 1.34 0.00 0.00 72.50 72.32 3kxf s THR 271 CO 0.41 0.38 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.97 3kxf s LEU 272 N 0.38 2.53 0.20 4.79 1.02 0.69 -4.95 118.68 123.34 3kxf s LEU 272 Ca -0.10 -0.99 0.00 0.00 0.02 0.00 0.00 54.13 53.06 3kxf s LEU 272 Cb -0.14 -0.67 -0.04 0.00 0.02 0.00 0.00 46.19 45.35 3kxf s LEU 272 CO 0.03 -0.16 0.07 -0.13 0.02 0.00 0.00 176.35 176.19 3kxf s ARG 273 N -3.50 1.18 0.22 1.70 0.52 -1.26 0.09 118.95 117.90 3kxf s ARG 273 Ca 0.21 -1.61 -0.30 0.00 -0.52 0.00 0.00 55.73 53.51 3kxf s ARG 273 Cb -0.01 -0.02 -0.09 0.00 0.52 0.00 0.00 34.95 35.35 3kxf s ARG 273 CO 0.06 -0.27 0.97 -0.46 0.02 0.00 0.00 175.30 175.62 3kxf s TRP 274 N -3.90 3.91 -0.24 -0.53 -0.00 -1.26 -4.64 118.94 112.28 3kxf s TRP 274 Ca 0.32 1.87 0.01 0.00 -0.00 0.00 0.00 56.10 58.30 3kxf s TRP 274 Cb 0.07 -3.03 0.06 0.00 -0.00 0.00 0.00 33.47 30.57 3kxf s TRP 274 CO 0.08 0.28 -0.07 -1.21 -0.00 0.00 0.00 176.95 176.03 3kxf s GLU 275 N -1.00 1.79 0.00 5.86 2.02 -1.26 -4.98 118.70 121.13 3kxf s GLU 275 Ca 0.43 -1.05 0.16 0.00 0.02 0.00 0.00 54.97 54.52 3kxf s GLU 275 Cb -0.26 -2.64 0.95 0.00 0.10 0.00 0.00 34.13 32.28 3kxf s GLU 275 CO 0.33 -0.58 1.36 -2.30 0.02 0.00 0.00 175.26 174.09