#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xi9 s ALA 4 N 0.00 2.92 0.32 7.54 0.00 -1.26 -5.02 121.76 126.25 1xi9 s ALA 4 Ca 0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 51.96 51.26 1xi9 s ALA 4 Cb 0.00 -2.97 -0.12 0.00 0.00 0.00 0.00 23.12 20.02 1xi9 s ALA 4 CO 0.00 -1.16 1.36 0.45 0.00 0.00 0.00 175.76 176.41 1xi9 n SER 5 N -2.99 2.94 -0.06 0.00 2.88 -1.26 -4.93 113.62 110.20 1xi9 n SER 5 Ca 0.07 1.19 -0.12 0.00 -1.33 0.00 0.00 58.87 58.68 1xi9 n SER 5 Cb 0.58 -1.49 -0.06 0.00 -0.75 0.00 0.00 64.21 62.49 1xi9 n SER 5 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1xi9 h LYS 6 N 3.14 0.33 -0.83 -1.46 1.79 -1.99 -2.67 116.57 114.87 1xi9 h LYS 6 Ca -0.46 -0.11 -0.03 0.00 -2.18 0.00 0.00 60.65 57.86 1xi9 h LYS 6 Cb 1.27 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.86 1xi9 h LYS 6 CO 0.67 0.57 0.40 0.07 -1.08 0.00 0.00 179.45 180.07 1xi9 h ARG 7 N 0.06 1.21 -0.78 3.15 -0.00 -1.94 -2.46 114.38 113.62 1xi9 h ARG 7 Ca 0.05 -0.18 -0.05 0.00 -0.00 0.00 0.00 59.98 59.80 1xi9 h ARG 7 Cb 0.43 -0.22 -0.03 0.00 -0.00 0.00 0.00 29.97 30.15 1xi9 h ARG 7 CO 0.01 0.93 0.31 0.00 -0.00 0.00 0.00 179.97 181.22 1xi9 h ALA 8 N 1.21 1.08 0.00 0.08 0.00 -1.93 -2.79 119.26 116.92 1xi9 h ALA 8 Ca 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1xi9 h ALA 8 Cb 0.13 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1xi9 h ALA 8 CO -0.04 0.65 -0.09 -0.07 0.00 0.00 0.00 179.25 179.71 1xi9 h LEU 9 N 1.13 0.00 -0.67 0.00 3.38 -1.14 -2.82 115.31 115.18 1xi9 h LEU 9 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1xi9 h LEU 9 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1xi9 h LEU 9 CO -0.02 0.09 -0.07 -1.20 0.09 0.00 0.00 178.44 177.32 1xi9 n SER 10 N -3.25 1.11 -4.63 -0.43 7.64 -0.95 -4.87 113.62 108.24 1xi9 n SER 10 Ca -0.00 -1.20 -0.43 0.00 1.01 0.00 0.00 58.87 58.26 1xi9 n SER 10 Cb 0.33 0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.52 1xi9 n SER 10 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1xi9 s VAL 11 N -2.17 3.97 0.15 0.44 1.01 -1.07 -5.00 120.40 117.73 1xi9 s VAL 11 Ca 0.35 1.09 0.04 0.00 0.00 0.00 0.00 61.98 63.46 1xi9 s VAL 11 Cb 0.21 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1xi9 s VAL 11 CO 0.40 -0.40 0.20 -1.61 0.00 0.00 0.00 175.10 173.68 1xi9 s GLU 12 N 4.36 3.14 -0.46 2.72 0.41 -1.26 -5.07 118.70 122.54 1xi9 s GLU 12 Ca 0.62 -0.73 0.07 0.00 -0.41 0.00 0.00 54.97 54.52 1xi9 s GLU 12 Cb -0.20 -2.80 0.24 0.00 -1.78 0.00 0.00 34.13 29.60 1xi9 s GLU 12 CO 0.25 0.51 0.78 0.98 -0.49 0.00 0.00 175.26 177.29 1xi9 n TYR 13 N -0.36 -2.44 0.16 1.61 9.36 -1.26 -4.78 117.16 119.45 1xi9 n TYR 13 Ca -0.08 -2.31 0.02 0.00 3.32 0.00 0.00 57.90 58.85 1xi9 n TYR 13 Cb 0.54 0.99 0.35 0.00 -0.63 0.00 0.00 39.34 40.59 1xi9 n TYR 13 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1xi9 h ALA 14 N 3.98 1.39 -0.75 2.98 0.00 -1.95 -3.05 119.26 121.85 1xi9 h ALA 14 Ca -0.08 -0.31 0.16 0.00 0.00 0.00 0.00 54.91 54.68 1xi9 h ALA 14 Cb 0.99 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.57 1xi9 h ALA 14 CO 0.37 0.44 -0.11 -0.84 0.00 0.00 0.00 179.25 179.11 1xi9 h ILE 15 N 0.09 0.28 0.00 0.00 3.07 -1.93 0.21 117.51 119.23 1xi9 h ILE 15 Ca 0.01 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1xi9 h ILE 15 Cb 0.60 0.24 0.00 0.00 -0.27 0.00 0.00 36.82 37.39 1xi9 h ILE 15 CO 0.04 0.01 0.00 0.08 -1.05 0.00 0.00 178.15 177.23 1xi9 h ARG 16 N 0.04 0.00 -3.11 0.16 -0.00 -1.95 -3.38 114.38 106.13 1xi9 h ARG 16 Ca 0.38 0.00 -0.25 0.00 -0.00 0.00 0.00 59.98 60.12 1xi9 h ARG 16 Cb 0.63 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.60 1xi9 h ARG 16 CO -0.73 0.00 1.55 -0.40 -0.00 0.00 0.00 179.97 180.39 1xi9 n ASP 17 N -2.65 3.78 0.00 0.08 5.68 0.72 -1.38 116.55 122.79 1xi9 n ASP 17 Ca 0.04 -2.18 0.00 0.00 -0.50 0.00 0.00 54.79 52.15 1xi9 n ASP 17 Cb 0.41 -0.92 0.00 0.00 -1.14 0.00 0.00 41.12 39.47 1xi9 n ASP 17 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1xi9 n VAL 18 N 3.70 0.00 0.22 2.12 3.14 -1.26 -4.98 118.33 121.27 1xi9 n VAL 18 Ca 0.33 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.79 1xi9 n VAL 18 Cb 0.25 0.00 0.50 0.00 -1.06 0.00 0.00 33.84 33.53 1xi9 n VAL 18 CO 0.00 0.00 0.00 1.62 -6.46 0.00 0.00 176.83 171.99 1xi9 h VAL 19 N 0.00 0.82 0.20 1.55 3.04 -1.52 -3.29 116.25 117.05 1xi9 h VAL 19 Ca 0.00 -1.04 -0.01 0.00 -1.01 0.00 0.00 66.70 64.64 1xi9 h VAL 19 Cb 0.00 1.63 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1xi9 h VAL 19 CO 0.00 0.25 -0.10 -0.07 -1.01 0.00 0.00 177.57 176.65 1xi9 h LEU 20 N 0.00 -0.23 -1.69 3.16 3.38 -1.94 -2.94 115.31 115.05 1xi9 h LEU 20 Ca -0.00 -0.16 0.19 0.00 0.09 0.00 0.00 57.88 57.99 1xi9 h LEU 20 Cb 0.61 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 1xi9 h LEU 20 CO 0.03 0.03 0.54 -0.65 0.09 0.00 0.00 178.44 178.48 1xi9 h PRO 21 N -0.50 0.27 -0.20 1.13 0.11 -1.98 -2.36 132.00 128.47 1xi9 h PRO 21 Ca -0.03 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.90 1xi9 h PRO 21 Cb 0.38 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 1xi9 h PRO 21 CO 0.05 0.18 -0.56 0.00 -0.21 0.00 0.00 178.00 177.46 1xi9 h ALA 22 N 1.63 0.65 -0.13 -0.75 0.00 -1.66 -2.85 119.26 116.16 1xi9 h ALA 22 Ca 0.39 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1xi9 h ALA 22 Cb 1.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1xi9 h ALA 22 CO -0.10 0.69 -0.30 0.00 0.00 0.00 0.00 179.25 179.54 1xi9 h ARG 23 N 0.46 0.25 -0.53 0.00 3.08 -1.25 -2.73 114.38 113.67 1xi9 h ARG 23 Ca 0.01 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 59.84 1xi9 h ARG 23 Cb 1.11 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.13 1xi9 h ARG 23 CO 0.11 0.53 -0.14 0.93 -1.07 0.00 0.00 179.97 180.33 1xi9 h GLU 24 N 0.22 1.02 -0.48 0.04 4.39 -1.41 -2.51 114.58 115.85 1xi9 h GLU 24 Ca 0.03 -0.40 -0.06 0.00 0.34 0.00 0.00 59.36 59.28 1xi9 h GLU 24 Cb 0.65 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 1xi9 h GLU 24 CO 0.05 1.08 0.08 -0.07 -1.16 0.00 0.00 179.01 178.99 1xi9 h LEU 25 N 0.90 0.76 -1.25 1.33 3.38 -1.41 -3.08 115.31 115.95 1xi9 h LEU 25 Ca 0.13 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1xi9 h LEU 25 Cb 0.72 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1xi9 h LEU 25 CO 0.05 0.83 0.11 -0.33 0.09 0.00 0.00 178.44 179.19 1xi9 h GLU 26 N 0.67 0.62 -0.44 1.13 5.08 -1.45 -1.59 114.58 118.61 1xi9 h GLU 26 Ca 0.15 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1xi9 h GLU 26 Cb 0.39 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1xi9 h GLU 26 CO 0.01 0.57 0.29 0.87 -1.00 0.00 0.00 179.01 179.75 1xi9 h LYS 27 N 0.61 0.47 -0.03 2.33 1.57 -1.37 -0.03 116.57 120.12 1xi9 h LYS 27 Ca 0.14 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1xi9 h LYS 27 Cb 0.22 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1xi9 h LYS 27 CO -0.00 0.31 0.00 1.63 -0.57 0.00 0.00 179.45 180.82 1xi9 n LYS 28 N -4.48 1.09 -1.01 3.15 5.02 -0.66 -4.88 118.16 116.39 1xi9 n LYS 28 Ca 0.05 -0.13 -0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1xi9 n LYS 28 Cb 0.15 -1.12 -0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1xi9 n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xi9 n GLY 29 N 0.65 0.43 3.65 0.72 0.00 -0.02 -5.02 105.19 105.61 1xi9 n GLY 29 Ca 0.06 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1xi9 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xi9 s ILE 30 N -1.86 4.95 0.20 -0.61 1.01 -0.83 -4.98 121.20 119.08 1xi9 s ILE 30 Ca 0.00 1.36 -0.28 0.00 0.00 0.00 0.00 60.65 61.73 1xi9 s ILE 30 Cb 0.00 -4.02 -0.08 0.00 0.01 0.00 0.00 42.46 38.36 1xi9 s ILE 30 CO 0.00 0.05 0.87 -1.59 0.00 0.00 0.00 174.94 174.27 1xi9 s LYS 31 N 2.21 4.73 -0.03 2.79 0.00 -1.26 -3.19 119.74 125.00 1xi9 s LYS 31 Ca 0.32 1.35 0.07 0.00 0.00 0.00 0.00 55.97 57.71 1xi9 s LYS 31 Cb -0.16 -3.28 -0.02 0.00 0.00 0.00 0.00 37.83 34.38 1xi9 s LYS 31 CO 0.10 0.53 -0.23 0.14 0.00 0.00 0.00 175.35 175.89 1xi9 s VAL 32 N -1.13 1.84 -0.26 1.79 -7.23 -1.26 -4.87 120.40 109.29 1xi9 s VAL 32 Ca 0.39 -0.99 -0.15 0.00 -1.81 0.00 0.00 61.98 59.42 1xi9 s VAL 32 Cb -0.25 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 1xi9 s VAL 32 CO 0.30 0.52 0.40 -0.63 -0.31 0.00 0.00 175.10 175.37 1xi9 s ILE 33 N -0.45 5.16 -0.43 -0.62 1.01 -0.20 -4.99 121.20 120.68 1xi9 s ILE 33 Ca 0.06 0.64 -0.19 0.00 0.00 0.00 0.00 60.65 61.16 1xi9 s ILE 33 Cb -0.10 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.67 1xi9 s ILE 33 CO -0.00 0.16 0.54 -0.13 0.00 0.00 0.00 174.94 175.50 1xi9 s ARG 34 N 2.00 3.18 -0.15 2.79 0.52 -1.26 0.14 118.95 126.17 1xi9 s ARG 34 Ca 0.16 -0.60 0.17 0.00 -0.52 0.00 0.00 55.73 54.95 1xi9 s ARG 34 Cb -0.16 -3.97 0.43 0.00 0.52 0.00 0.00 34.95 31.78 1xi9 s ARG 34 CO 0.09 -0.94 1.32 1.28 0.02 0.00 0.00 175.30 177.07 1xi9 n LEU 35 N 5.91 3.31 -0.00 2.53 4.77 0.32 -4.69 117.00 129.15 1xi9 n LEU 35 Ca -0.05 -2.96 0.08 0.00 -0.03 0.00 0.00 56.01 53.06 1xi9 n LEU 35 Cb 0.47 -0.48 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1xi9 n LEU 35 CO 0.50 0.68 -0.28 -0.46 -1.33 0.00 0.00 177.39 176.50 1xi9 n ASN 36 N -0.74 0.85 -4.38 -1.43 6.94 -0.91 -0.43 115.26 115.16 1xi9 n ASN 36 Ca 0.19 -0.58 -0.35 0.00 -0.02 0.00 0.00 54.58 53.82 1xi9 n ASN 36 Cb 0.77 1.29 -0.13 0.00 -2.36 0.00 0.00 39.78 39.35 1xi9 n ASN 36 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1xi9 s ILE 37 N -2.86 3.63 -0.11 1.53 1.01 -1.26 -4.84 121.20 118.31 1xi9 s ILE 37 Ca 0.02 -0.42 -0.04 0.00 0.00 0.00 0.00 60.65 60.21 1xi9 s ILE 37 Cb 0.13 -2.64 -0.10 0.00 0.01 0.00 0.00 42.46 39.86 1xi9 s ILE 37 CO 0.72 0.43 2.93 0.61 0.00 0.00 0.00 174.94 179.63 1xi9 n GLY 38 N 4.45 3.23 3.08 6.18 0.00 -1.26 -4.80 105.19 116.07 1xi9 n GLY 38 Ca -0.18 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 1xi9 n GLY 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xi9 s ASP 39 N 1.52 4.93 0.45 1.61 2.15 -1.26 -4.97 116.67 121.09 1xi9 s ASP 39 Ca 0.46 -1.93 0.11 0.00 0.43 0.00 0.00 52.55 51.62 1xi9 s ASP 39 Cb 0.25 -1.70 0.99 0.00 -0.30 0.00 0.00 42.92 42.16 1xi9 s ASP 39 CO -0.04 -0.40 2.06 1.55 -0.17 0.00 0.00 175.17 178.17 1xi9 h PRO 40 N 7.83 0.28 0.00 4.34 0.13 -1.91 -2.40 132.00 140.27 1xi9 h PRO 40 Ca -0.11 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1xi9 h PRO 40 Cb 1.04 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1xi9 h PRO 40 CO 0.58 0.23 0.00 0.28 -0.23 0.00 0.00 178.00 178.86 1xi9 h VAL 41 N 0.29 0.00 0.00 1.56 2.07 -1.88 -0.50 116.25 117.79 1xi9 h VAL 41 Ca 0.07 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1xi9 h VAL 41 Cb 0.05 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1xi9 h VAL 41 CO -0.01 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.87 1xi9 n LYS 42 N -2.63 0.17 0.00 1.57 4.76 -0.90 -4.75 118.16 116.38 1xi9 n LYS 42 Ca 0.00 0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 1xi9 n LYS 42 Cb 0.21 -1.78 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 1xi9 n LYS 42 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1xi9 n PHE 43 N -2.09 0.00 -1.92 2.13 3.72 -0.20 -5.01 117.46 114.09 1xi9 n PHE 43 Ca 0.04 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.04 1xi9 n PHE 43 Cb 0.29 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.86 1xi9 n PHE 43 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1xi9 n ASP 44 N 0.00 7.47 -3.99 4.37 3.85 -1.26 -4.91 116.55 122.08 1xi9 n ASP 44 Ca 0.00 -3.79 -0.20 0.00 -0.71 0.00 0.00 54.79 50.09 1xi9 n ASP 44 Cb 0.00 -1.09 -0.15 0.00 -1.35 0.00 0.00 41.12 38.53 1xi9 n ASP 44 CO 0.00 0.00 0.00 -0.36 -1.01 0.00 0.00 177.20 175.83 1xi9 s PHE 45 N -3.93 0.86 0.06 2.11 0.40 -1.24 -5.09 117.98 111.16 1xi9 s PHE 45 Ca 0.52 -0.20 0.01 0.00 -0.60 0.00 0.00 56.93 56.66 1xi9 s PHE 45 Cb 0.43 -0.61 -0.03 0.00 0.51 0.00 0.00 43.02 43.31 1xi9 s PHE 45 CO -0.40 -0.08 -0.06 -0.65 0.70 0.00 0.00 175.22 174.74 1xi9 s GLN 46 N 0.15 0.62 0.40 0.44 -1.52 -1.26 -4.07 119.66 114.42 1xi9 s GLN 46 Ca -0.02 -1.04 -0.27 0.00 -1.95 0.00 0.00 55.36 52.08 1xi9 s GLN 46 Cb -0.08 -0.10 -0.10 0.00 -0.22 0.00 0.00 33.01 32.52 1xi9 s GLN 46 CO 0.00 -0.02 1.45 -1.25 -0.25 0.00 0.00 175.29 175.22 1xi9 s PRO 47 N -2.85 3.95 0.75 2.91 0.04 -1.11 -4.80 135.00 133.90 1xi9 s PRO 47 Ca 0.00 2.48 -0.15 0.00 0.04 0.00 0.00 61.00 63.37 1xi9 s PRO 47 Cb -0.01 -2.84 0.05 0.00 0.04 0.00 0.00 34.50 31.74 1xi9 s PRO 47 CO -0.04 -0.63 1.22 -1.25 0.04 0.00 0.00 177.00 176.35 1xi9 s PRO 48 N -2.23 1.98 0.27 0.56 0.04 -1.26 -4.71 135.00 129.65 1xi9 s PRO 48 Ca 0.56 1.80 -0.01 0.00 0.04 0.00 0.00 61.00 63.39 1xi9 s PRO 48 Cb -0.45 -1.81 0.50 0.00 0.04 0.00 0.00 34.50 32.78 1xi9 s PRO 48 CO 0.59 -1.97 1.81 1.49 0.04 0.00 0.00 177.00 178.97 1xi9 h GLU 49 N -0.44 0.84 0.00 4.56 4.57 -2.00 -1.57 114.58 120.55 1xi9 h GLU 49 Ca -0.47 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 57.62 1xi9 h GLU 49 Cb 1.30 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1xi9 h GLU 49 CO 0.49 0.56 -0.16 1.12 -1.18 0.00 0.00 179.01 179.83 1xi9 h HIS 50 N 0.86 0.00 0.04 0.92 2.07 -1.98 -1.43 115.15 115.64 1xi9 h HIS 50 Ca 0.46 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.88 1xi9 h HIS 50 Cb 0.48 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.47 1xi9 h HIS 50 CO -0.04 0.16 -0.43 0.52 -3.07 0.00 0.00 177.93 175.08 1xi9 h MET 51 N 0.00 0.21 -0.40 5.12 2.86 -1.59 -2.75 114.93 118.38 1xi9 h MET 51 Ca -0.00 -0.29 0.08 0.00 -2.06 0.00 0.00 59.70 57.44 1xi9 h MET 51 Cb 0.36 0.10 -0.08 0.00 0.06 0.00 0.00 31.60 32.03 1xi9 h MET 51 CO 0.02 1.06 -0.17 0.87 1.06 0.00 0.00 176.91 179.76 1xi9 h LYS 52 N -0.51 -0.09 -0.40 1.72 1.57 -1.38 -1.40 116.57 116.08 1xi9 h LYS 52 Ca -0.07 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1xi9 h LYS 52 Cb 1.25 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.56 1xi9 h LYS 52 CO 0.08 -0.06 0.23 1.49 -0.57 0.00 0.00 179.45 180.63 1xi9 h GLU 53 N -0.09 0.55 -0.88 3.15 4.57 -1.36 -0.91 114.58 119.62 1xi9 h GLU 53 Ca 0.20 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.34 1xi9 h GLU 53 Cb 0.39 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.82 1xi9 h GLU 53 CO -0.46 0.43 0.58 0.00 -1.18 0.00 0.00 179.01 178.38 1xi9 h ALA 54 N 1.09 1.40 0.71 2.92 0.00 -1.37 0.25 119.26 124.27 1xi9 h ALA 54 Ca 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1xi9 h ALA 54 Cb 0.03 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.49 1xi9 h ALA 54 CO -0.03 0.54 -0.34 -0.92 0.00 0.00 0.00 179.25 178.50 1xi9 h TYR 55 N 1.15 -0.89 -0.80 0.00 5.03 -0.71 -0.58 116.97 120.17 1xi9 h TYR 55 Ca 0.33 -0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.66 1xi9 h TYR 55 Cb -0.08 0.29 -0.05 0.00 1.55 0.00 0.00 36.73 38.45 1xi9 h TYR 55 CO -0.00 -0.54 0.51 0.00 -1.32 0.00 0.00 178.16 176.80 1xi9 h LYS 57 N 0.97 0.48 -0.62 0.00 3.64 -0.43 -1.91 116.57 118.70 1xi9 h LYS 57 Ca 0.33 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.73 1xi9 h LYS 57 Cb 0.04 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.70 1xi9 h LYS 57 CO -0.12 0.32 0.35 0.00 -2.27 0.00 0.00 179.45 177.72 1xi9 h ALA 58 N 1.20 0.82 0.55 5.00 0.00 -0.62 -0.15 119.26 126.07 1xi9 h ALA 58 Ca 0.17 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1xi9 h ALA 58 Cb 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1xi9 h ALA 58 CO -0.09 0.03 -0.27 0.82 0.00 0.00 0.00 179.25 179.74 1xi9 h ILE 59 N 0.65 0.45 -0.63 0.00 2.04 -1.20 -0.07 117.51 118.75 1xi9 h ILE 59 Ca 0.27 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.13 1xi9 h ILE 59 Cb 0.15 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1xi9 h ILE 59 CO -0.16 0.00 0.38 0.11 0.00 0.00 0.00 178.15 178.47 1xi9 h LYS 60 N -0.75 0.85 -0.45 2.37 1.57 -1.17 -1.50 116.57 117.50 1xi9 h LYS 60 Ca -0.08 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1xi9 h LYS 60 Cb 0.58 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1xi9 h LYS 60 CO 0.12 0.60 0.00 0.39 -0.57 0.00 0.00 179.45 179.99 1xi9 n GLU 61 N -4.41 1.31 -1.03 3.15 1.02 -0.08 -4.89 120.64 115.71 1xi9 n GLU 61 Ca 0.06 -0.33 -0.01 0.00 -0.02 0.00 0.00 57.16 56.86 1xi9 n GLU 61 Cb 0.07 -1.29 -0.00 0.00 -0.02 0.00 0.00 31.44 30.20 1xi9 n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xi9 n GLY 62 N 0.40 0.47 2.49 0.62 0.00 -0.56 -4.95 105.19 103.66 1xi9 n GLY 62 Ca 0.03 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 1xi9 n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xi9 n HIS 63 N -2.96 2.68 -0.54 1.61 8.25 -0.05 -4.45 115.22 119.75 1xi9 n HIS 63 Ca -0.01 -2.94 0.03 0.00 -0.26 0.00 0.00 57.72 54.54 1xi9 n HIS 63 Cb 0.04 -2.18 0.04 0.00 1.12 0.00 0.00 29.99 29.01 1xi9 n HIS 63 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1xi9 n ASN 64 N 3.20 1.77 -4.93 0.41 3.02 -1.26 -3.34 115.26 114.12 1xi9 n ASN 64 Ca 0.65 -2.22 -0.22 0.00 -0.03 0.00 0.00 54.58 52.76 1xi9 n ASN 64 Cb 0.27 -0.14 0.05 0.00 -0.61 0.00 0.00 39.78 39.35 1xi9 n ASN 64 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1xi9 s TYR 65 N -1.39 2.71 0.17 3.10 1.13 -1.26 -5.03 117.35 116.78 1xi9 s TYR 65 Ca 0.09 0.04 -0.31 0.00 -1.41 0.00 0.00 57.07 55.48 1xi9 s TYR 65 Cb 0.08 -2.87 -0.10 0.00 -1.10 0.00 0.00 41.96 37.97 1xi9 s TYR 65 CO 0.01 -1.09 1.57 0.71 -2.51 0.00 0.00 175.55 174.24 1xi9 s TYR 66 N -2.91 3.04 0.60 -3.49 4.12 -1.26 -4.66 117.35 112.80 1xi9 s TYR 66 Ca 0.59 0.63 -0.01 0.00 0.02 0.00 0.00 57.07 58.31 1xi9 s TYR 66 Cb -0.10 -3.94 0.05 0.00 -1.52 0.00 0.00 41.96 36.45 1xi9 s TYR 66 CO 0.40 -3.44 0.85 0.20 0.02 0.00 0.00 175.55 173.58 1xi9 s GLY 67 N 1.09 1.79 0.45 0.71 0.00 -1.26 -5.05 107.32 105.05 1xi9 s GLY 67 Ca 0.70 -1.29 -0.24 0.00 0.00 0.00 0.00 44.72 43.89 1xi9 s GLY 67 CO 0.32 -0.95 1.07 1.34 0.00 0.00 0.00 173.10 174.88 1xi9 n ASP 68 N -2.52 1.51 0.27 1.64 2.03 -1.26 -4.72 116.55 113.49 1xi9 n ASP 68 Ca 0.09 1.02 0.13 0.00 0.52 0.00 0.00 54.79 56.55 1xi9 n ASP 68 Cb 0.60 -1.40 0.75 0.00 -0.72 0.00 0.00 41.12 40.36 1xi9 n ASP 68 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1xi9 h SER 69 N 1.51 0.00 1.21 1.67 4.64 -1.91 -1.29 113.55 119.38 1xi9 h SER 69 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1xi9 h SER 69 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1xi9 h SER 69 CO 0.57 0.10 -0.06 -0.62 -0.87 0.00 0.00 176.83 175.95 1xi9 n GLU 70 N -3.67 0.15 0.00 4.77 1.02 -1.26 -4.77 120.64 116.88 1xi9 n GLU 70 Ca -0.02 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1xi9 n GLU 70 Cb 0.22 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1xi9 n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xi9 n GLY 71 N 1.39 2.46 3.74 0.62 0.00 -0.49 -1.55 105.19 111.37 1xi9 n GLY 71 Ca 0.06 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 1xi9 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xi9 s LEU 72 N 0.00 4.36 0.45 0.99 1.43 -1.26 -4.71 118.68 119.93 1xi9 s LEU 72 Ca 0.00 2.88 0.15 0.00 -1.03 0.00 0.00 54.13 56.13 1xi9 s LEU 72 Cb 0.00 -3.63 1.08 0.00 0.03 0.00 0.00 46.19 43.67 1xi9 s LEU 72 CO 0.00 -0.89 2.00 -0.65 0.23 0.00 0.00 176.35 177.04 1xi9 h PRO 73 N 5.30 0.33 -0.40 1.29 0.11 -1.97 0.07 132.00 136.73 1xi9 h PRO 73 Ca -0.46 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1xi9 h PRO 73 Cb 1.22 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1xi9 h PRO 73 CO 0.82 0.22 -0.11 0.93 -0.21 0.00 0.00 178.00 179.65 1xi9 h GLU 74 N 0.34 0.71 -0.22 1.05 3.07 -1.99 -1.36 114.58 116.17 1xi9 h GLU 74 Ca 0.24 -0.23 -0.09 0.00 -0.50 0.00 0.00 59.36 58.78 1xi9 h GLU 74 Cb 0.50 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1xi9 h GLU 74 CO -0.06 0.80 -0.22 1.25 -1.40 0.00 0.00 179.01 179.38 1xi9 h LEU 75 N 0.64 0.58 -1.30 1.33 5.85 -1.34 -1.96 115.31 119.11 1xi9 h LEU 75 Ca 0.11 -0.47 0.01 0.00 0.84 0.00 0.00 57.88 58.37 1xi9 h LEU 75 Cb 0.57 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1xi9 h LEU 75 CO 0.04 0.93 0.46 0.03 -0.34 0.00 0.00 178.44 179.56 1xi9 h ARG 76 N 0.24 0.93 -0.42 1.25 3.08 -1.14 -0.96 114.38 117.35 1xi9 h ARG 76 Ca 0.04 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 1xi9 h ARG 76 Cb 0.77 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1xi9 h ARG 76 CO 0.05 0.62 -0.06 -0.22 -1.07 0.00 0.00 179.97 179.29 1xi9 h LYS 77 N 0.95 0.79 -0.74 0.04 3.64 -1.23 -1.73 116.57 118.29 1xi9 h LYS 77 Ca 0.26 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1xi9 h LYS 77 Cb -0.10 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 1xi9 h LYS 77 CO -0.05 0.89 0.28 0.00 -2.27 0.00 0.00 179.45 178.30 1xi9 h ALA 78 N 0.87 0.97 -0.24 5.00 0.00 -0.92 -2.26 119.26 122.68 1xi9 h ALA 78 Ca 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1xi9 h ALA 78 Cb 0.58 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1xi9 h ALA 78 CO 0.03 0.60 0.13 0.82 0.00 0.00 0.00 179.25 180.83 1xi9 h ILE 79 N 1.08 1.13 -0.63 0.00 2.04 -1.14 -0.56 117.51 119.43 1xi9 h ILE 79 Ca 0.25 -0.35 0.12 0.00 1.00 0.00 0.00 64.86 65.88 1xi9 h ILE 79 Cb 0.23 0.92 -0.09 0.00 -0.74 0.00 0.00 36.82 37.14 1xi9 h ILE 79 CO -0.02 0.13 0.16 0.58 0.00 0.00 0.00 178.15 178.99 1xi9 h VAL 80 N 0.27 0.63 -0.08 1.67 2.07 -1.09 0.16 116.25 119.89 1xi9 h VAL 80 Ca 0.08 -0.10 -0.13 0.00 0.82 0.00 0.00 66.70 67.38 1xi9 h VAL 80 Cb 0.09 0.32 0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1xi9 h VAL 80 CO -0.01 0.05 -0.45 -0.33 0.02 0.00 0.00 177.57 176.85 1xi9 h GLU 81 N 0.29 0.45 -0.54 1.57 5.08 -1.22 -2.50 114.58 117.69 1xi9 h GLU 81 Ca 0.34 -0.37 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1xi9 h GLU 81 Cb 0.51 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 1xi9 h GLU 81 CO -0.41 1.01 0.22 -0.09 -1.00 0.00 0.00 179.01 178.74 1xi9 h ARG 82 N 0.00 0.40 0.00 2.33 1.12 -0.71 -1.01 114.38 116.51 1xi9 h ARG 82 Ca -0.03 -0.02 -0.06 0.00 -1.11 0.00 0.00 59.98 58.76 1xi9 h ARG 82 Cb 1.10 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.97 1xi9 h ARG 82 CO 0.09 0.27 -0.26 0.93 -3.11 0.00 0.00 179.97 177.88 1xi9 h GLU 83 N 0.41 0.00 0.16 0.20 4.39 -1.02 -1.72 114.58 117.01 1xi9 h GLU 83 Ca 0.26 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 1xi9 h GLU 83 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1xi9 h GLU 83 CO -0.25 0.26 -0.08 -0.22 -1.16 0.00 0.00 179.01 177.57 1xi9 h LYS 84 N 0.00 -0.21 0.29 2.33 3.11 -0.94 0.43 116.57 121.58 1xi9 h LYS 84 Ca -0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1xi9 h LYS 84 Cb 0.83 0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 32.08 1xi9 h LYS 84 CO 0.03 0.19 -0.39 0.00 -2.81 0.00 0.00 179.45 176.48 1xi9 h ARG 85 N -0.69 -0.71 -0.15 1.90 3.08 -1.14 0.29 114.38 116.95 1xi9 h ARG 85 Ca -0.02 0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 1xi9 h ARG 85 Cb 0.50 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1xi9 h ARG 85 CO 0.04 -0.48 -0.44 -0.22 -1.07 0.00 0.00 179.97 177.80 1xi9 h LYS 86 N -0.74 0.56 -0.01 0.04 3.64 -1.41 -3.38 116.57 115.27 1xi9 h LYS 86 Ca -0.01 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1xi9 h LYS 86 Cb 0.70 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1xi9 h LYS 86 CO -0.12 1.02 -0.07 0.09 -2.27 0.00 0.00 179.45 178.10 1xi9 n ASN 87 N -4.25 1.54 -0.28 4.20 3.02 0.13 -4.98 115.26 114.64 1xi9 n ASN 87 Ca -0.07 -1.27 -0.04 0.00 -0.03 0.00 0.00 54.58 53.17 1xi9 n ASN 87 Cb 0.56 0.17 -0.02 0.00 -0.61 0.00 0.00 39.78 39.89 1xi9 n ASN 87 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xi9 n GLY 88 N 0.64 0.42 3.76 7.41 0.00 0.09 -4.43 105.19 113.07 1xi9 n GLY 88 Ca 0.05 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1xi9 n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xi9 s VAL 89 N -1.45 4.10 -0.44 1.61 1.01 -1.24 -4.98 120.40 119.01 1xi9 s VAL 89 Ca 0.00 2.02 -0.10 0.00 0.00 0.00 0.00 61.98 63.90 1xi9 s VAL 89 Cb 0.00 -4.24 0.09 0.00 0.00 0.00 0.00 36.38 32.23 1xi9 s VAL 89 CO 0.00 0.41 0.30 -1.81 0.00 0.00 0.00 175.10 174.00 1xi9 s ASP 90 N -1.29 5.70 0.06 3.32 -0.00 -1.26 -4.16 116.67 119.04 1xi9 s ASP 90 Ca 0.43 -1.65 0.01 0.00 -0.00 0.00 0.00 52.55 51.34 1xi9 s ASP 90 Cb -0.24 -2.01 -0.03 0.00 -0.00 0.00 0.00 42.92 40.63 1xi9 s ASP 90 CO 0.30 -0.61 -0.05 0.27 -0.00 0.00 0.00 175.17 175.08 1xi9 s ILE 91 N 1.42 0.41 0.27 0.77 -4.36 -1.26 -5.01 121.20 113.43 1xi9 s ILE 91 Ca 0.04 -1.52 0.09 0.00 -0.26 0.00 0.00 60.65 59.00 1xi9 s ILE 91 Cb -0.24 -1.13 -0.04 0.00 1.25 0.00 0.00 42.46 42.29 1xi9 s ILE 91 CO 0.01 -0.74 0.08 0.42 0.24 0.00 0.00 174.94 174.95 1xi9 s THR 92 N -2.82 3.74 0.59 8.37 -4.23 -1.26 -4.92 115.64 115.10 1xi9 s THR 92 Ca 0.00 -1.73 0.29 0.00 -1.18 0.00 0.00 61.69 59.08 1xi9 s THR 92 Cb -0.00 -3.04 0.39 0.00 1.34 0.00 0.00 72.50 71.19 1xi9 s THR 92 CO -0.05 -0.35 1.78 -0.65 -0.54 0.00 0.00 174.62 174.82 1xi9 h PRO 93 N 1.72 0.00 0.00 3.99 0.11 -1.95 0.12 132.00 135.99 1xi9 h PRO 93 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xi9 h PRO 93 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xi9 h PRO 93 CO 0.61 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.15 1xi9 n ASP 94 N -3.63 0.00 -0.42 -2.05 10.43 -1.26 -2.30 116.55 117.33 1xi9 n ASP 94 Ca 0.12 0.10 0.13 0.00 2.57 0.00 0.00 54.79 57.71 1xi9 n ASP 94 Cb 0.85 -0.36 0.34 0.00 1.84 0.00 0.00 41.12 43.80 1xi9 n ASP 94 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1xi9 n ASP 95 N -1.36 1.49 -4.58 -2.24 10.43 0.40 -4.92 116.55 115.78 1xi9 n ASP 95 Ca 0.10 -1.26 -0.34 0.00 2.57 0.00 0.00 54.79 55.86 1xi9 n ASP 95 Cb 0.24 0.13 -0.11 0.00 1.84 0.00 0.00 41.12 43.22 1xi9 n ASP 95 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1xi9 s VAL 96 N -2.30 3.68 -0.07 2.53 1.01 -0.97 -1.41 120.40 122.87 1xi9 s VAL 96 Ca 0.28 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.75 1xi9 s VAL 96 Cb 0.20 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 34.09 1xi9 s VAL 96 CO 0.45 0.58 -0.04 -0.13 0.00 0.00 0.00 175.10 175.97 1xi9 s ARG 97 N -0.86 0.97 0.14 2.72 1.81 0.00 -4.95 118.95 118.78 1xi9 s ARG 97 Ca 0.13 -0.08 -0.30 0.00 -1.72 0.00 0.00 55.73 53.76 1xi9 s ARG 97 Cb -0.11 -1.12 -0.07 0.00 -0.45 0.00 0.00 34.95 33.21 1xi9 s ARG 97 CO 0.02 -0.21 1.00 0.08 -0.68 0.00 0.00 175.30 175.51 1xi9 s VAL 98 N 1.52 4.30 0.28 3.52 1.01 -0.59 -0.88 120.40 129.56 1xi9 s VAL 98 Ca -0.01 1.95 0.03 0.00 0.00 0.00 0.00 61.98 63.96 1xi9 s VAL 98 Cb -0.13 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 1xi9 s VAL 98 CO -0.04 0.32 0.04 0.42 0.00 0.00 0.00 175.10 175.84 1xi9 s THR 99 N -0.15 1.03 -1.50 3.92 -4.23 -0.43 -4.57 115.64 109.70 1xi9 s THR 99 Ca 0.47 -2.02 -0.13 0.00 -1.18 0.00 0.00 61.69 58.83 1xi9 s THR 99 Cb -0.25 -2.58 0.01 0.00 1.34 0.00 0.00 72.50 71.01 1xi9 s THR 99 CO 0.31 -0.13 2.42 0.00 -0.54 0.00 0.00 174.62 176.69 1xi9 n ALA 100 N -0.54 6.10 -0.10 3.99 0.00 -1.26 -1.63 120.51 127.06 1xi9 n ALA 100 Ca -0.03 -3.79 0.01 0.00 0.00 0.00 0.00 53.44 49.63 1xi9 n ALA 100 Cb 0.65 -3.49 -0.00 0.00 0.00 0.00 0.00 19.45 16.61 1xi9 n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xi9 n ALA 101 N 5.39 -0.25 -0.07 0.00 0.00 -1.17 -3.35 120.51 121.06 1xi9 n ALA 101 Ca 0.59 0.04 0.01 0.00 0.00 0.00 0.00 53.44 54.08 1xi9 n ALA 101 Cb 0.35 -0.09 0.32 0.00 0.00 0.00 0.00 19.45 20.03 1xi9 n ALA 101 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xi9 h VAL 102 N -0.09 1.16 -0.43 0.00 2.07 -1.84 -2.82 116.25 114.30 1xi9 h VAL 102 Ca -0.00 -0.46 0.09 0.00 0.82 0.00 0.00 66.70 67.15 1xi9 h VAL 102 Cb 0.09 0.53 -0.09 0.00 -1.52 0.00 0.00 31.29 30.30 1xi9 h VAL 102 CO 0.00 0.19 -0.22 0.74 0.02 0.00 0.00 177.57 178.30 1xi9 h THR 103 N 0.69 0.37 -0.12 2.57 2.02 -1.98 0.10 112.91 116.55 1xi9 h THR 103 Ca 0.17 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.24 1xi9 h THR 103 Cb 0.07 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1xi9 h THR 103 CO -0.02 0.00 -0.43 -0.08 0.37 0.00 0.00 175.52 175.35 1xi9 h GLU 104 N -0.14 0.29 -0.48 6.66 4.81 -1.52 -2.15 114.58 122.06 1xi9 h GLU 104 Ca 0.21 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1xi9 h GLU 104 Cb 0.46 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 1xi9 h GLU 104 CO -0.51 0.67 0.26 0.00 -0.73 0.00 0.00 179.01 178.70 1xi9 h ALA 105 N 1.31 0.61 -0.53 2.92 0.00 -0.98 -0.48 119.26 122.11 1xi9 h ALA 105 Ca 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1xi9 h ALA 105 Cb 0.87 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1xi9 h ALA 105 CO 0.07 -0.07 0.25 -0.07 0.00 0.00 0.00 179.25 179.43 1xi9 h LEU 106 N 0.52 0.69 -0.88 0.00 3.38 -0.80 -0.41 115.31 117.80 1xi9 h LEU 106 Ca 0.20 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1xi9 h LEU 106 Cb 0.07 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1xi9 h LEU 106 CO -0.12 0.62 0.57 1.56 0.09 0.00 0.00 178.44 181.17 1xi9 h GLN 107 N 0.70 1.10 -0.37 1.13 4.20 -1.09 -0.54 115.11 120.24 1xi9 h GLN 107 Ca 0.18 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.71 1xi9 h GLN 107 Cb 0.12 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1xi9 h GLN 107 CO -0.02 0.73 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.58 1xi9 h LEU 108 N 1.13 0.83 0.02 1.46 3.38 -0.73 -0.66 115.31 120.73 1xi9 h LEU 108 Ca 0.35 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1xi9 h LEU 108 Cb -0.03 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1xi9 h LEU 108 CO -0.11 1.07 -0.01 0.40 0.09 0.00 0.00 178.44 179.88 1xi9 h ILE 109 N 0.59 1.45 -0.53 1.22 2.04 -0.98 -1.00 117.51 120.30 1xi9 h ILE 109 Ca 0.08 -1.50 -0.09 0.00 1.00 0.00 0.00 64.86 64.36 1xi9 h ILE 109 Cb 0.77 2.44 -0.02 0.00 -0.74 0.00 0.00 36.82 39.28 1xi9 h ILE 109 CO 0.06 0.38 -0.00 -0.26 0.00 0.00 0.00 178.15 178.33 1xi9 h PHE 110 N -0.68 1.02 -0.98 1.37 0.05 -1.20 -1.34 116.94 115.19 1xi9 h PHE 110 Ca -0.00 -0.18 0.08 0.00 3.82 0.00 0.00 57.97 61.68 1xi9 h PHE 110 Cb 0.64 -0.27 -0.07 0.00 2.00 0.00 0.00 35.95 38.25 1xi9 h PHE 110 CO 0.15 0.94 0.63 0.78 -0.18 0.00 0.00 178.31 180.63 1xi9 h GLY 111 N 0.81 1.51 1.66 -1.45 0.00 -1.17 -1.55 103.07 102.88 1xi9 h GLY 111 Ca 0.15 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1xi9 h GLY 111 CO 0.03 0.29 -0.29 0.00 0.00 0.00 0.00 176.54 176.57 1xi9 h ALA 112 N 1.46 0.83 0.00 3.60 0.00 -0.85 -3.38 119.26 120.91 1xi9 h ALA 112 Ca 0.44 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 55.12 1xi9 h ALA 112 Cb 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1xi9 h ALA 112 CO -0.19 0.00 -1.85 -0.11 0.00 0.00 0.00 179.25 177.10 1xi9 n LEU 113 N -2.53 0.00 -4.56 0.00 7.94 -0.53 -4.86 117.00 112.46 1xi9 n LEU 113 Ca 0.04 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.57 1xi9 n LEU 113 Cb 0.48 0.30 -0.11 0.00 0.53 0.00 0.00 43.42 44.62 1xi9 n LEU 113 CO 0.34 0.30 -0.22 -0.76 -1.11 0.00 0.00 177.39 175.95 1xi9 s LEU 114 N -4.91 3.80 0.30 -1.96 1.43 -0.60 -5.04 118.68 111.70 1xi9 s LEU 114 Ca -0.06 -0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 1xi9 s LEU 114 Cb 0.04 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 1xi9 s LEU 114 CO 0.51 0.01 0.56 -1.81 0.23 0.00 0.00 176.35 175.84 1xi9 s ASP 115 N 1.40 6.41 0.19 2.29 -0.00 -1.26 -4.92 116.67 120.77 1xi9 s ASP 115 Ca 0.06 0.66 -0.33 0.00 -0.00 0.00 0.00 52.55 52.94 1xi9 s ASP 115 Cb -0.15 -2.12 -0.14 0.00 -0.00 0.00 0.00 42.92 40.51 1xi9 s ASP 115 CO 0.06 -0.22 1.40 -2.65 -0.00 0.00 0.00 175.17 173.76 1xi9 n PRO 116 N -1.14 1.80 0.00 8.23 -0.02 -1.25 -1.75 135.00 140.87 1xi9 n PRO 116 Ca -0.02 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1xi9 n PRO 116 Cb 0.54 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1xi9 n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xi9 n GLY 117 N 2.52 2.74 3.76 -1.23 0.00 0.12 -4.94 105.19 108.17 1xi9 n GLY 117 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1xi9 n GLY 117 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xi9 s ASP 118 N -1.36 5.56 0.11 1.61 -0.00 -0.72 -4.68 116.67 117.19 1xi9 s ASP 118 Ca 0.00 2.54 0.03 0.00 -0.00 0.00 0.00 52.55 55.12 1xi9 s ASP 118 Cb 0.00 -2.62 -0.04 0.00 -0.00 0.00 0.00 42.92 40.26 1xi9 s ASP 118 CO 0.00 -1.35 0.16 -1.61 -0.00 0.00 0.00 175.17 172.37 1xi9 s GLU 119 N -2.91 3.11 -0.05 8.23 2.02 -0.42 0.15 118.70 128.84 1xi9 s GLU 119 Ca 0.70 -0.66 0.02 0.00 0.02 0.00 0.00 54.97 55.04 1xi9 s GLU 119 Cb -0.34 -2.82 0.01 0.00 0.10 0.00 0.00 34.13 31.08 1xi9 s GLU 119 CO 0.41 0.55 -0.09 0.42 0.02 0.00 0.00 175.26 176.56 1xi9 s ILE 120 N -1.57 0.84 -0.13 -1.63 1.09 -0.55 -0.56 121.20 118.70 1xi9 s ILE 120 Ca 0.32 -0.33 -0.28 0.00 -1.10 0.00 0.00 60.65 59.26 1xi9 s ILE 120 Cb -0.12 -0.79 -0.01 0.00 -1.06 0.00 0.00 42.46 40.48 1xi9 s ILE 120 CO 0.25 0.28 0.95 -0.76 -0.10 0.00 0.00 174.94 175.57 1xi9 s LEU 121 N 0.63 4.22 0.11 2.97 1.43 -0.59 -0.54 118.68 126.91 1xi9 s LEU 121 Ca -0.11 1.42 0.06 0.00 -1.03 0.00 0.00 54.13 54.47 1xi9 s LEU 121 Cb -0.14 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 1xi9 s LEU 121 CO 0.02 -0.43 -0.15 0.68 0.23 0.00 0.00 176.35 176.70 1xi9 s VAL 122 N 2.05 1.32 0.72 -1.59 -7.23 0.07 -0.43 120.40 115.31 1xi9 s VAL 122 Ca 0.45 -1.58 -0.14 0.00 -1.81 0.00 0.00 61.98 58.90 1xi9 s VAL 122 Cb -0.18 -1.41 0.03 0.00 0.56 0.00 0.00 36.38 35.38 1xi9 s VAL 122 CO 0.16 -0.32 1.13 -2.16 -0.31 0.00 0.00 175.10 173.60 1xi9 s PRO 123 N -2.32 2.40 -0.08 4.82 0.04 -1.26 -0.44 135.00 138.16 1xi9 s PRO 123 Ca 0.06 1.45 -0.00 0.00 0.04 0.00 0.00 61.00 62.54 1xi9 s PRO 123 Cb -0.07 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.60 1xi9 s PRO 123 CO 0.03 -1.57 -0.04 0.20 0.04 0.00 0.00 177.00 175.66 1xi9 s GLY 124 N -2.62 0.62 0.43 0.56 0.00 0.77 -2.98 107.32 104.11 1xi9 s GLY 124 Ca 0.67 -0.29 -0.26 0.00 0.00 0.00 0.00 44.72 44.84 1xi9 s GLY 124 CO 0.46 0.86 1.41 -4.14 0.00 0.00 0.00 173.10 171.70 1xi9 s PRO 125 N 1.65 3.81 0.21 2.90 0.02 -1.26 -2.25 135.00 140.09 1xi9 s PRO 125 Ca 0.02 2.39 0.05 0.00 0.02 0.00 0.00 61.00 63.47 1xi9 s PRO 125 Cb -0.13 -2.73 -0.03 0.00 0.02 0.00 0.00 34.50 31.63 1xi9 s PRO 125 CO -0.05 -0.70 0.31 -1.54 -0.33 0.00 0.00 177.00 174.69 1xi9 s SER 126 N -0.49 6.20 -0.29 2.53 1.04 -0.57 -4.63 113.70 117.49 1xi9 s SER 126 Ca 0.59 0.05 -0.18 0.00 0.48 0.00 0.00 55.95 56.90 1xi9 s SER 126 Cb -0.43 -1.81 -0.02 0.00 0.10 0.00 0.00 66.02 63.86 1xi9 s SER 126 CO 0.56 -0.03 0.50 -0.47 0.98 0.00 0.00 173.24 174.78 1xi9 s TYR 127 N -1.92 3.23 0.28 5.02 6.14 -1.26 -4.60 117.35 124.24 1xi9 s TYR 127 Ca 0.34 0.46 0.01 0.00 0.64 0.00 0.00 57.07 58.51 1xi9 s TYR 127 Cb -0.09 -2.77 0.67 0.00 0.42 0.00 0.00 41.96 40.18 1xi9 s TYR 127 CO 0.28 -0.36 1.64 -1.35 0.64 0.00 0.00 175.55 176.40 1xi9 h PRO 128 N 8.19 0.17 -0.95 4.97 0.11 -1.94 -1.94 132.00 140.61 1xi9 h PRO 128 Ca -0.29 -0.01 0.21 0.00 0.11 0.00 0.00 66.00 66.02 1xi9 h PRO 128 Cb 1.14 -0.04 -0.11 0.00 0.11 0.00 0.00 31.00 32.10 1xi9 h PRO 128 CO 0.72 0.11 0.52 -1.35 -0.21 0.00 0.00 178.00 177.79 1xi9 h PRO 129 N 0.17 0.57 0.44 1.05 0.11 -1.95 -0.94 132.00 131.46 1xi9 h PRO 129 Ca 0.53 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.60 1xi9 h PRO 129 Cb 1.06 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.01 1xi9 h PRO 129 CO -0.68 0.38 -0.52 1.88 -0.21 0.00 0.00 178.00 178.86 1xi9 h TYR 130 N 0.59 -1.44 -0.33 0.65 -1.99 -1.78 0.33 116.97 113.01 1xi9 h TYR 130 Ca 0.57 0.02 0.04 0.00 2.00 0.00 0.00 58.73 61.36 1xi9 h TYR 130 Cb 0.99 0.57 -0.07 0.00 2.00 0.00 0.00 36.73 40.21 1xi9 h TYR 130 CO -0.06 -0.67 -0.53 1.15 -0.00 0.00 0.00 178.16 178.05 1xi9 h THR 131 N -0.98 0.00 -0.67 -2.88 2.02 -1.53 -0.14 112.91 108.73 1xi9 h THR 131 Ca -0.05 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.20 1xi9 h THR 131 Cb 0.86 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.21 1xi9 h THR 131 CO -0.10 0.00 0.35 1.23 0.37 0.00 0.00 175.52 177.37 1xi9 h GLY 132 N -0.43 0.99 1.02 2.16 0.00 -1.11 -1.59 103.07 104.12 1xi9 h GLY 132 Ca 0.06 -0.24 -0.15 0.00 0.00 0.00 0.00 47.33 47.00 1xi9 h GLY 132 CO -0.54 0.11 -0.42 1.41 0.00 0.00 0.00 176.54 177.10 1xi9 h LEU 133 N 0.63 0.82 -0.13 3.11 3.38 -0.76 -2.02 115.31 120.34 1xi9 h LEU 133 Ca 0.31 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1xi9 h LEU 133 Cb 0.26 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1xi9 h LEU 133 CO -0.22 1.19 0.08 0.58 0.09 0.00 0.00 178.44 180.16 1xi9 h VAL 134 N 0.48 1.07 -0.63 1.22 2.07 -0.82 -2.81 116.25 116.83 1xi9 h VAL 134 Ca 0.02 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1xi9 h VAL 134 Cb 1.02 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1xi9 h VAL 134 CO 0.10 0.06 0.31 0.11 0.02 0.00 0.00 177.57 178.17 1xi9 h LYS 135 N 0.14 0.90 -0.75 1.57 1.57 -1.36 -0.92 116.57 117.72 1xi9 h LYS 135 Ca 0.05 -0.13 0.11 0.00 -1.87 0.00 0.00 60.65 58.81 1xi9 h LYS 135 Cb 0.03 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.13 1xi9 h LYS 135 CO -0.01 0.71 0.49 0.35 -0.57 0.00 0.00 179.45 180.43 1xi9 h PHE 136 N 0.86 0.63 -0.24 -1.35 3.57 -1.26 -0.10 116.94 119.06 1xi9 h PHE 136 Ca 0.22 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1xi9 h PHE 136 Cb 0.10 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.64 1xi9 h PHE 136 CO -0.00 0.28 0.00 0.66 -2.23 0.00 0.00 178.31 177.02 1xi9 n TYR 137 N -4.50 0.32 -0.80 0.41 0.53 -1.01 -4.89 117.16 107.22 1xi9 n TYR 137 Ca 0.13 -0.16 0.00 0.00 -1.02 0.00 0.00 57.90 56.85 1xi9 n TYR 137 Cb 0.40 -0.01 0.00 0.00 -1.03 0.00 0.00 39.34 38.70 1xi9 n TYR 137 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1xi9 n GLY 138 N 0.86 0.85 3.90 2.72 0.00 -0.05 -3.92 105.19 109.55 1xi9 n GLY 138 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1xi9 n GLY 138 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xi9 s GLY 139 N -1.83 1.60 -0.27 -0.02 0.00 -0.38 0.16 107.32 106.57 1xi9 s GLY 139 Ca 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 44.72 44.23 1xi9 s GLY 139 CO 0.00 -0.15 0.07 0.54 0.00 0.00 0.00 173.10 173.55 1xi9 s LYS 140 N -5.06 3.33 -0.57 2.90 1.02 0.12 -3.65 119.74 117.83 1xi9 s LYS 140 Ca 0.53 -0.70 -0.26 0.00 0.02 0.00 0.00 55.97 55.57 1xi9 s LYS 140 Cb -0.11 -3.33 0.04 0.00 -0.52 0.00 0.00 37.83 33.91 1xi9 s LYS 140 CO 0.49 -0.33 1.07 -1.25 -0.92 0.00 0.00 175.35 174.41 1xi9 s PRO 141 N 1.54 3.42 -0.36 -1.68 0.05 -1.26 -1.48 135.00 135.24 1xi9 s PRO 141 Ca 0.04 0.00 -0.18 0.00 0.05 0.00 0.00 61.00 60.91 1xi9 s PRO 141 Cb -0.16 -4.03 -0.00 0.00 0.05 0.00 0.00 34.50 30.35 1xi9 s PRO 141 CO 0.02 -1.59 0.51 0.08 0.05 0.00 0.00 177.00 176.08 1xi9 s VAL 142 N 4.47 5.02 -0.13 -0.36 1.01 0.29 -4.92 120.40 125.78 1xi9 s VAL 142 Ca 0.37 0.29 -0.28 0.00 0.00 0.00 0.00 61.98 62.35 1xi9 s VAL 142 Cb -0.10 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1xi9 s VAL 142 CO 0.22 -0.24 0.97 -1.61 0.00 0.00 0.00 175.10 174.45 1xi9 s GLU 143 N 2.38 4.38 0.07 2.72 2.02 -1.25 -0.75 118.70 128.27 1xi9 s GLU 143 Ca 0.18 1.30 -0.07 0.00 0.02 0.00 0.00 54.97 56.41 1xi9 s GLU 143 Cb -0.15 -3.56 -0.05 0.00 0.10 0.00 0.00 34.13 30.47 1xi9 s GLU 143 CO 0.13 -0.34 0.33 1.52 0.02 0.00 0.00 175.26 176.93 1xi9 s TYR 144 N 2.13 3.54 0.40 1.61 -0.85 0.42 -4.84 117.35 119.77 1xi9 s TYR 144 Ca 0.46 0.61 -0.26 0.00 -0.52 0.00 0.00 57.07 57.36 1xi9 s TYR 144 Cb -0.18 -2.03 -0.09 0.00 0.38 0.00 0.00 41.96 40.05 1xi9 s TYR 144 CO 0.16 0.53 1.29 0.50 -1.52 0.00 0.00 175.55 176.51 1xi9 s ARG 145 N -2.12 3.98 0.14 -3.49 3.52 -1.26 -0.16 118.95 119.56 1xi9 s ARG 145 Ca 0.34 2.13 0.09 0.00 -0.13 0.00 0.00 55.73 58.16 1xi9 s ARG 145 Cb -0.13 -2.76 -0.04 0.00 -1.56 0.00 0.00 34.95 30.46 1xi9 s ARG 145 CO 0.20 -0.48 -0.22 0.95 -0.81 0.00 0.00 175.30 174.94 1xi9 s THR 146 N -1.27 1.98 -0.32 4.11 -4.23 -0.95 -0.30 115.64 114.66 1xi9 s THR 146 Ca 0.57 -1.77 -0.02 0.00 -1.18 0.00 0.00 61.69 59.28 1xi9 s THR 146 Cb -0.38 -1.83 0.06 0.00 1.34 0.00 0.00 72.50 71.70 1xi9 s THR 146 CO 0.48 -0.10 0.04 -0.63 -0.54 0.00 0.00 174.62 173.87 1xi9 s ILE 147 N -1.45 3.04 0.29 2.99 1.01 -0.53 -4.87 121.20 121.67 1xi9 s ILE 147 Ca 0.13 -1.52 0.03 0.00 0.00 0.00 0.00 60.65 59.29 1xi9 s ILE 147 Cb -0.09 -2.82 0.27 0.00 0.01 0.00 0.00 42.46 39.84 1xi9 s ILE 147 CO 0.06 -0.22 1.76 -0.08 0.00 0.00 0.00 174.94 176.46 1xi9 h GLU 148 N 8.00 0.63 -0.03 2.79 4.81 -1.92 0.58 114.58 129.43 1xi9 h GLU 148 Ca -0.19 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 1xi9 h GLU 148 Cb 1.06 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 1xi9 h GLU 148 CO 0.56 0.42 -0.05 1.49 -0.73 0.00 0.00 179.01 180.69 1xi9 h GLU 149 N 0.65 0.04 -0.65 1.92 4.81 -1.99 -1.20 114.58 118.16 1xi9 h GLU 149 Ca 0.53 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.63 1xi9 h GLU 149 Cb 0.83 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.13 1xi9 h GLU 149 CO -0.40 0.09 0.15 0.39 -0.73 0.00 0.00 179.01 178.51 1xi9 n GLU 150 N -4.45 4.10 -3.35 1.92 1.02 -0.23 -4.91 120.64 114.74 1xi9 n GLU 150 Ca -0.02 -3.12 -0.20 0.00 -0.02 0.00 0.00 57.16 53.80 1xi9 n GLU 150 Cb 0.15 -2.21 0.06 0.00 -0.02 0.00 0.00 31.44 29.42 1xi9 n GLU 150 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1xi9 n ASP 151 N 0.09 -5.63 -1.77 1.62 10.43 -0.45 -3.63 116.55 117.21 1xi9 n ASP 151 Ca 0.35 -0.42 -0.15 0.00 2.57 0.00 0.00 54.79 57.14 1xi9 n ASP 151 Cb 1.29 -4.26 0.00 0.00 1.84 0.00 0.00 41.12 39.99 1xi9 n ASP 151 CO 0.00 0.00 0.00 0.79 -1.07 0.00 0.00 177.20 176.92 1xi9 n TRP 152 N -4.56 -0.87 -2.35 1.24 7.02 0.19 -4.52 117.44 113.58 1xi9 n TRP 152 Ca -0.00 0.10 -0.37 0.00 -1.02 0.00 0.00 57.50 56.21 1xi9 n TRP 152 Cb 0.56 -3.14 -0.02 0.00 -2.42 0.00 0.00 31.31 26.29 1xi9 n TRP 152 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1xi9 s GLN 153 N -4.89 3.87 0.39 -0.99 -1.52 -1.24 -4.43 119.66 110.85 1xi9 s GLN 153 Ca 0.06 1.68 -0.25 0.00 -1.95 0.00 0.00 55.36 54.91 1xi9 s GLN 153 Cb -0.03 -2.43 -0.12 0.00 -0.22 0.00 0.00 33.01 30.22 1xi9 s GLN 153 CO 0.07 -0.44 0.88 -2.30 -0.25 0.00 0.00 175.29 173.26 1xi9 n PRO 154 N -0.40 1.11 -2.93 2.91 -0.02 -1.26 -1.46 135.00 132.96 1xi9 n PRO 154 Ca 0.07 0.40 -0.43 0.00 -2.02 0.00 0.00 63.50 61.51 1xi9 n PRO 154 Cb 0.49 -1.84 -0.04 0.00 -0.02 0.00 0.00 33.50 32.09 1xi9 n PRO 154 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xi9 s ASP 155 N -0.77 6.23 0.28 2.55 3.68 0.59 -4.81 116.67 124.43 1xi9 s ASP 155 Ca 0.62 -0.84 -0.00 0.00 2.13 0.00 0.00 52.55 54.46 1xi9 s ASP 155 Cb -0.61 -2.39 0.39 0.00 -1.45 0.00 0.00 42.92 38.86 1xi9 s ASP 155 CO 0.58 -1.26 1.77 0.40 0.13 0.00 0.00 175.17 176.79 1xi9 h ILE 156 N 5.96 1.24 -0.77 4.11 1.08 -1.92 -1.73 117.51 125.48 1xi9 h ILE 156 Ca -0.28 -1.00 -0.03 0.00 -0.39 0.00 0.00 64.86 63.16 1xi9 h ILE 156 Cb 1.08 0.96 -0.04 0.00 -3.07 0.00 0.00 36.82 35.75 1xi9 h ILE 156 CO 1.11 0.35 0.36 0.44 -0.69 0.00 0.00 178.15 179.72 1xi9 h ASP 157 N 0.65 1.01 -0.68 1.72 3.45 -1.98 -1.72 116.42 118.87 1xi9 h ASP 157 Ca 0.13 -0.14 -0.07 0.00 0.43 0.00 0.00 57.03 57.38 1xi9 h ASP 157 Cb 0.46 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.94 1xi9 h ASP 157 CO 0.02 0.87 0.17 -0.78 -1.57 0.00 0.00 179.24 177.95 1xi9 h ASP 158 N 1.09 1.04 -0.87 6.45 3.58 -1.77 -1.17 116.42 124.77 1xi9 h ASP 158 Ca 0.26 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1xi9 h ASP 158 Cb 0.13 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 40.86 1xi9 h ASP 158 CO -0.03 0.99 0.55 0.40 -2.88 0.00 0.00 179.24 178.27 1xi9 h ILE 159 N 1.04 1.23 -0.62 2.25 2.04 -1.06 0.20 117.51 122.60 1xi9 h ILE 159 Ca 0.22 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 1xi9 h ILE 159 Cb 0.36 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1xi9 h ILE 159 CO 0.00 0.23 0.17 0.03 0.00 0.00 0.00 178.15 178.59 1xi9 h ARG 160 N 1.18 0.95 -0.12 2.37 3.08 -0.86 -2.23 114.38 118.76 1xi9 h ARG 160 Ca 0.31 -0.19 -0.18 0.00 0.07 0.00 0.00 59.98 59.98 1xi9 h ARG 160 Cb -0.09 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.81 1xi9 h ARG 160 CO -0.06 0.83 -0.70 0.87 -1.07 0.00 0.00 179.97 179.84 1xi9 h LYS 161 N 0.92 0.50 -0.00 0.04 1.57 -0.89 -3.34 116.57 115.37 1xi9 h LYS 161 Ca 0.20 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1xi9 h LYS 161 Cb 0.29 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1xi9 h LYS 161 CO -0.01 1.01 -0.44 1.63 -0.57 0.00 0.00 179.45 181.07 1xi9 n LYS 162 N -3.88 0.17 -2.78 3.15 5.02 0.03 -4.91 118.16 114.96 1xi9 n LYS 162 Ca -0.05 -0.10 -0.39 0.00 -2.02 0.00 0.00 58.31 55.75 1xi9 n LYS 162 Cb 0.69 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.14 1xi9 n LYS 162 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1xi9 s ILE 163 N -2.90 4.13 0.34 -0.18 2.07 -0.85 -5.03 121.20 118.78 1xi9 s ILE 163 Ca 0.14 2.00 0.05 0.00 -1.41 0.00 0.00 60.65 61.43 1xi9 s ILE 163 Cb 0.18 -4.25 -0.03 0.00 0.13 0.00 0.00 42.46 38.49 1xi9 s ILE 163 CO 0.66 0.44 0.22 0.42 -1.91 0.00 0.00 174.94 174.77 1xi9 s THR 164 N -1.25 0.17 -1.04 4.00 -4.23 -1.26 -5.02 115.64 107.01 1xi9 s THR 164 Ca 0.42 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.05 1xi9 s THR 164 Cb -0.24 -2.46 0.11 0.00 1.34 0.00 0.00 72.50 71.25 1xi9 s THR 164 CO 0.30 0.00 1.38 -0.90 -0.54 0.00 0.00 174.62 174.86 1xi9 n ASP 165 N -1.35 0.00 -0.87 3.99 5.75 -1.26 -2.64 116.55 120.18 1xi9 n ASP 165 Ca 0.03 0.46 0.12 0.00 -0.01 0.00 0.00 54.79 55.39 1xi9 n ASP 165 Cb 0.63 -0.48 0.08 0.00 -1.03 0.00 0.00 41.12 40.33 1xi9 n ASP 165 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1xi9 n ARG 166 N -1.48 2.11 -2.38 0.11 5.12 -1.26 -4.93 116.66 113.95 1xi9 n ARG 166 Ca 0.03 -1.75 -0.42 0.00 -1.93 0.00 0.00 57.85 53.78 1xi9 n ARG 166 Cb 0.14 -1.46 -0.03 0.00 -1.16 0.00 0.00 32.46 29.95 1xi9 n ARG 166 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1xi9 s THR 167 N -2.06 4.07 -0.09 0.55 2.01 -1.08 -1.30 115.64 117.74 1xi9 s THR 167 Ca 0.26 1.41 0.22 0.00 0.31 0.00 0.00 61.69 63.89 1xi9 s THR 167 Cb 0.19 -3.91 -0.26 0.00 0.01 0.00 0.00 72.50 68.54 1xi9 s THR 167 CO 0.34 -0.01 0.58 0.29 -0.69 0.00 0.00 174.62 175.14 1xi9 n LYS 168 N 5.30 0.65 -3.61 4.92 4.76 0.27 -4.91 118.16 125.54 1xi9 n LYS 168 Ca 0.12 -0.11 -0.06 0.00 -2.87 0.00 0.00 58.31 55.39 1xi9 n LYS 168 Cb 0.45 -1.59 -0.02 0.00 -1.84 0.00 0.00 35.03 32.03 1xi9 n LYS 168 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xi9 s ALA 169 N -3.41 -1.75 -0.20 7.82 0.00 -1.26 -4.15 121.76 118.81 1xi9 s ALA 169 Ca -0.06 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.52 1xi9 s ALA 169 Cb 0.12 0.52 0.03 0.00 0.00 0.00 0.00 23.12 23.79 1xi9 s ALA 169 CO 0.88 -0.85 -0.16 0.42 0.00 0.00 0.00 175.76 176.05 1xi9 s ILE 170 N -3.20 2.23 -0.04 0.00 1.01 -0.98 -1.55 121.20 118.67 1xi9 s ILE 170 Ca 0.08 -1.06 -0.24 0.00 0.00 0.00 0.00 60.65 59.43 1xi9 s ILE 170 Cb -0.01 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1xi9 s ILE 170 CO -0.04 0.39 0.73 0.00 0.00 0.00 0.00 174.94 176.02 1xi9 s ALA 171 N 1.27 3.33 -0.18 9.38 0.00 0.43 -0.94 121.76 135.04 1xi9 s ALA 171 Ca 0.02 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.18 1xi9 s ALA 171 Cb -0.15 -2.99 0.02 0.00 0.00 0.00 0.00 23.12 20.00 1xi9 s ALA 171 CO -0.10 -0.08 -0.18 0.08 0.00 0.00 0.00 175.76 175.47 1xi9 s VAL 172 N 0.68 2.20 -0.46 0.00 1.01 0.14 -4.37 120.40 119.60 1xi9 s VAL 172 Ca 0.39 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 1xi9 s VAL 172 Cb -0.18 -1.93 0.12 0.00 0.00 0.00 0.00 36.38 34.38 1xi9 s VAL 172 CO 0.20 0.53 0.31 -0.63 0.00 0.00 0.00 175.10 175.51 1xi9 s ILE 173 N 1.30 3.97 -0.16 2.22 1.01 -1.26 -0.21 121.20 128.06 1xi9 s ILE 173 Ca 0.05 -1.88 -0.05 0.00 0.00 0.00 0.00 60.65 58.77 1xi9 s ILE 173 Cb -0.13 -3.64 0.08 0.00 0.01 0.00 0.00 42.46 38.78 1xi9 s ILE 173 CO -0.12 -0.76 0.29 0.21 0.00 0.00 0.00 174.94 174.57 1xi9 s ASN 174 N 2.43 0.38 0.87 3.58 2.47 -0.89 -3.52 114.94 120.25 1xi9 s ASN 174 Ca 0.07 0.51 -0.12 0.00 0.42 0.00 0.00 52.86 53.74 1xi9 s ASN 174 Cb -0.25 0.80 0.12 0.00 -1.45 0.00 0.00 41.25 40.46 1xi9 s ASN 174 CO -0.02 -0.26 1.17 -2.65 -3.72 0.00 0.00 177.10 171.62 1xi9 n PRO 175 N 5.35 -0.15 -3.81 0.43 -0.02 -1.26 -4.37 135.00 131.18 1xi9 n PRO 175 Ca -0.06 0.03 -0.37 0.00 -2.02 0.00 0.00 63.50 61.08 1xi9 n PRO 175 Cb 0.50 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 1xi9 n PRO 175 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1xi9 s ASN 176 N -2.37 6.41 -0.19 2.55 3.84 -0.12 -4.72 114.94 120.34 1xi9 s ASN 176 Ca 0.70 0.48 -0.02 0.00 0.21 0.00 0.00 52.86 54.23 1xi9 s ASN 176 Cb -0.26 -2.09 -0.01 0.00 -0.55 0.00 0.00 41.25 38.34 1xi9 s ASN 176 CO 0.55 0.36 -0.09 0.21 -2.79 0.00 0.00 177.10 175.34 1xi9 s ASN 177 N -0.80 4.09 0.00 -4.21 3.84 -1.26 -0.45 114.94 116.15 1xi9 s ASN 177 Ca 0.15 -0.40 0.24 0.00 0.21 0.00 0.00 52.86 53.06 1xi9 s ASN 177 Cb -0.12 -1.67 0.38 0.00 -0.55 0.00 0.00 41.25 39.28 1xi9 s ASN 177 CO 0.04 0.04 1.37 -0.81 -2.79 0.00 0.00 177.10 174.95 1xi9 n PRO 178 N 4.40 2.25 0.13 0.43 -0.04 -1.26 -4.20 135.00 136.70 1xi9 n PRO 178 Ca -0.19 -1.84 0.06 0.00 -0.04 0.00 0.00 63.50 61.50 1xi9 n PRO 178 Cb 0.51 -1.47 0.03 0.00 -0.04 0.00 0.00 33.50 32.53 1xi9 n PRO 178 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1xi9 h THR 179 N 4.23 0.37 -0.05 0.52 1.35 -1.88 -3.38 112.91 114.07 1xi9 h THR 179 Ca 0.00 -1.58 -0.02 0.00 -0.55 0.00 0.00 66.41 64.26 1xi9 h THR 179 Cb 0.91 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 69.34 1xi9 h THR 179 CO 0.00 0.21 -0.02 0.61 -0.25 0.00 0.00 175.52 176.07 1xi9 n GLY 180 N 1.22 0.44 3.76 5.82 0.00 0.41 -4.52 105.19 112.32 1xi9 n GLY 180 Ca -0.00 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1xi9 n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xi9 s ALA 181 N -1.81 2.99 -0.18 4.61 0.00 -1.26 -0.35 121.76 125.77 1xi9 s ALA 181 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1xi9 s ALA 181 Cb 0.00 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.65 1xi9 s ALA 181 CO 0.00 -0.96 -0.16 -1.17 0.00 0.00 0.00 175.76 173.46 1xi9 s LEU 182 N -3.06 2.34 0.16 0.00 2.96 -1.26 -0.94 118.68 118.87 1xi9 s LEU 182 Ca 0.65 -0.56 -0.28 0.00 -0.22 0.00 0.00 54.13 53.72 1xi9 s LEU 182 Cb -0.35 -1.54 -0.07 0.00 0.50 0.00 0.00 46.19 44.72 1xi9 s LEU 182 CO 0.43 0.02 0.88 -0.31 -1.32 0.00 0.00 176.35 176.05 1xi9 s TYR 183 N 1.18 3.89 0.75 5.38 4.12 -1.26 -4.95 117.35 126.46 1xi9 s TYR 183 Ca 0.02 1.75 -0.12 0.00 0.02 0.00 0.00 57.07 58.74 1xi9 s TYR 183 Cb -0.14 -2.92 0.04 0.00 -1.52 0.00 0.00 41.96 37.42 1xi9 s TYR 183 CO -0.07 0.38 1.11 0.16 0.02 0.00 0.00 175.55 177.15 1xi9 s ASP 184 N -0.72 4.97 0.39 2.29 1.47 -1.26 -4.69 116.67 119.12 1xi9 s ASP 184 Ca 0.41 1.14 0.10 0.00 1.18 0.00 0.00 52.55 55.38 1xi9 s ASP 184 Cb -0.24 -1.87 0.89 0.00 -0.34 0.00 0.00 42.92 41.36 1xi9 s ASP 184 CO 0.29 -1.65 1.95 0.50 0.68 0.00 0.00 175.17 176.94 1xi9 h LYS 185 N -0.87 0.57 0.54 2.11 3.64 -1.96 -2.54 116.57 118.06 1xi9 h LYS 185 Ca -0.46 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1xi9 h LYS 185 Cb 1.27 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1xi9 h LYS 185 CO 0.63 0.38 -0.42 -0.22 -2.27 0.00 0.00 179.45 177.54 1xi9 h LYS 186 N 0.58 -0.91 -0.55 1.90 3.64 -1.99 -0.08 116.57 119.16 1xi9 h LYS 186 Ca 0.32 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 1xi9 h LYS 186 Cb 0.47 0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1xi9 h LYS 186 CO -0.11 -0.61 0.30 1.79 -2.27 0.00 0.00 179.45 178.55 1xi9 h THR 187 N -0.95 1.19 -0.62 1.00 1.35 -1.91 -1.89 112.91 111.07 1xi9 h THR 187 Ca -0.06 -0.48 0.03 0.00 -0.55 0.00 0.00 66.41 65.35 1xi9 h THR 187 Cb 0.80 0.50 -0.04 0.00 -1.73 0.00 0.00 68.15 67.68 1xi9 h THR 187 CO 0.00 0.20 0.38 -0.07 -0.25 0.00 0.00 175.52 175.78 1xi9 h LEU 188 N 0.74 0.60 -0.76 3.87 3.38 -1.37 0.47 115.31 122.23 1xi9 h LEU 188 Ca 0.19 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1xi9 h LEU 188 Cb 0.06 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1xi9 h LEU 188 CO -0.03 0.41 0.32 -0.08 0.09 0.00 0.00 178.44 179.15 1xi9 h GLU 189 N 0.73 1.13 0.02 1.13 4.57 -0.88 -2.04 114.58 119.24 1xi9 h GLU 189 Ca 0.26 -0.20 -0.22 0.00 -1.18 0.00 0.00 59.36 58.02 1xi9 h GLU 189 Cb 0.05 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.45 1xi9 h GLU 189 CO -0.12 0.91 -0.95 0.93 -1.18 0.00 0.00 179.01 178.61 1xi9 h GLU 190 N 1.09 0.30 -0.40 1.92 5.08 -0.70 -1.60 114.58 120.27 1xi9 h GLU 190 Ca 0.26 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1xi9 h GLU 190 Cb 0.20 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1xi9 h GLU 190 CO -0.02 1.05 0.24 0.82 -1.00 0.00 0.00 179.01 180.10 1xi9 h ILE 191 N 0.16 1.13 -0.84 3.13 2.04 -0.90 -1.23 117.51 121.00 1xi9 h ILE 191 Ca -0.07 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1xi9 h ILE 191 Cb 1.59 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 1xi9 h ILE 191 CO 0.15 0.13 0.44 -0.07 0.00 0.00 0.00 178.15 178.80 1xi9 h LEU 192 N 0.52 1.06 -0.55 1.44 3.38 -1.29 -0.73 115.31 119.15 1xi9 h LEU 192 Ca 0.14 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1xi9 h LEU 192 Cb -0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1xi9 h LEU 192 CO -0.03 0.87 0.34 0.78 0.09 0.00 0.00 178.44 180.50 1xi9 h ASN 193 N 1.18 0.57 -0.25 -0.43 2.35 -1.05 0.12 115.58 118.08 1xi9 h ASN 193 Ca 0.29 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.00 1xi9 h ASN 193 Cb 0.06 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1xi9 h ASN 193 CO -0.04 0.41 0.01 0.40 -1.65 0.00 0.00 177.43 176.56 1xi9 h ILE 194 N 0.69 1.25 -0.59 2.81 2.04 -0.87 -2.04 117.51 120.80 1xi9 h ILE 194 Ca 0.21 -0.87 0.07 0.00 1.00 0.00 0.00 64.86 65.28 1xi9 h ILE 194 Cb -0.02 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 1xi9 h ILE 194 CO -0.07 0.27 0.26 0.00 0.00 0.00 0.00 178.15 178.61 1xi9 h ALA 195 N 0.82 0.76 -0.73 1.87 0.00 -0.99 -2.22 119.26 118.78 1xi9 h ALA 195 Ca 0.07 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1xi9 h ALA 195 Cb 0.39 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1xi9 h ALA 195 CO 0.01 -0.12 0.37 0.78 0.00 0.00 0.00 179.25 180.29 1xi9 h GLY 196 N 0.48 1.11 1.01 0.00 0.00 -0.67 0.61 103.07 105.61 1xi9 h GLY 196 Ca 0.28 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1xi9 h GLY 196 CO -0.24 0.51 0.54 -2.09 0.00 0.00 0.00 176.54 175.26 1xi9 h GLU 197 N 1.01 1.17 -0.09 4.80 4.81 -0.98 -2.76 114.58 122.54 1xi9 h GLU 197 Ca 0.25 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1xi9 h GLU 197 Cb 0.09 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.22 1xi9 h GLU 197 CO -0.04 0.80 0.00 0.66 -0.73 0.00 0.00 179.01 179.71 1xi9 n TYR 198 N -4.44 0.09 -3.73 0.92 4.02 -0.87 -4.98 117.16 108.18 1xi9 n TYR 198 Ca 0.09 -0.05 -0.25 0.00 -0.01 0.00 0.00 57.90 57.68 1xi9 n TYR 198 Cb 0.04 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.41 1xi9 n TYR 198 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1xi9 n GLU 199 N 0.63 -6.38 -4.40 -0.72 1.02 0.11 -5.02 120.64 105.87 1xi9 n GLU 199 Ca 0.17 0.71 -0.26 0.00 -0.02 0.00 0.00 57.16 57.76 1xi9 n GLU 199 Cb 0.44 -5.62 -0.11 0.00 -0.02 0.00 0.00 31.44 26.14 1xi9 n GLU 199 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1xi9 s ILE 200 N -3.37 2.61 0.75 -3.67 -4.36 -0.63 -5.03 121.20 107.50 1xi9 s ILE 200 Ca 0.47 -2.06 -0.11 0.00 -0.26 0.00 0.00 60.65 58.68 1xi9 s ILE 200 Cb -0.22 -2.31 0.04 0.00 1.25 0.00 0.00 42.46 41.22 1xi9 s ILE 200 CO 0.78 -0.21 1.09 -2.16 0.24 0.00 0.00 174.94 174.68 1xi9 s PRO 201 N -3.00 2.50 -0.12 0.37 0.04 -1.26 -4.51 135.00 129.02 1xi9 s PRO 201 Ca 0.25 0.59 -0.05 0.00 0.04 0.00 0.00 61.00 61.83 1xi9 s PRO 201 Cb -0.07 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1xi9 s PRO 201 CO 0.13 -1.32 0.06 0.08 0.04 0.00 0.00 177.00 175.99 1xi9 s VAL 202 N -3.23 4.84 -0.18 -0.36 1.01 -0.61 -2.33 120.40 119.53 1xi9 s VAL 202 Ca 0.59 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.49 1xi9 s VAL 202 Cb -0.13 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1xi9 s VAL 202 CO 0.53 0.57 -0.00 -0.63 0.00 0.00 0.00 175.10 175.57 1xi9 s ILE 203 N -0.58 4.08 -0.25 2.22 1.01 -0.12 -0.31 121.20 127.25 1xi9 s ILE 203 Ca 0.11 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.50 1xi9 s ILE 203 Cb -0.12 -2.83 0.07 0.00 0.01 0.00 0.00 42.46 39.59 1xi9 s ILE 203 CO 0.02 0.46 -0.06 -0.55 0.00 0.00 0.00 174.94 174.81 1xi9 s SER 204 N 0.66 4.13 -0.53 3.58 0.15 0.63 0.23 113.70 122.55 1xi9 s SER 204 Ca -0.00 -1.35 -0.25 0.00 0.70 0.00 0.00 55.95 55.04 1xi9 s SER 204 Cb -0.14 -1.32 0.04 0.00 -1.71 0.00 0.00 66.02 62.88 1xi9 s SER 204 CO 0.02 -0.24 0.99 -0.62 1.20 0.00 0.00 173.24 174.59 1xi9 s ASP 205 N 1.27 6.40 -0.18 5.45 -1.08 0.70 -1.07 116.67 128.15 1xi9 s ASP 205 Ca -0.05 -0.14 0.16 0.00 -0.52 0.00 0.00 52.55 52.00 1xi9 s ASP 205 Cb -0.19 -2.46 0.45 0.00 -1.46 0.00 0.00 42.92 39.25 1xi9 s ASP 205 CO -0.07 -1.23 1.33 -0.62 0.52 0.00 0.00 175.17 175.11 1xi9 n GLU 206 N 7.57 2.16 -0.19 4.34 1.02 -0.33 -2.10 120.64 133.11 1xi9 n GLU 206 Ca 0.04 -2.84 0.28 0.00 -0.02 0.00 0.00 57.16 54.62 1xi9 n GLU 206 Cb 0.48 -1.72 0.71 0.00 -0.02 0.00 0.00 31.44 30.88 1xi9 n GLU 206 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1xi9 h ILE 207 N 1.07 0.55 -0.33 -3.67 2.10 -1.86 0.39 117.51 115.76 1xi9 h ILE 207 Ca 0.04 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.96 1xi9 h ILE 207 Cb 1.32 0.51 0.00 0.00 -1.09 0.00 0.00 36.82 37.56 1xi9 h ILE 207 CO 0.17 0.01 0.00 -1.22 -1.08 0.00 0.00 178.15 176.03 1xi9 n TYR 208 N -4.29 0.43 0.00 2.19 4.01 -1.26 -3.90 117.16 114.34 1xi9 n TYR 208 Ca 0.19 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1xi9 n TYR 208 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.99 1xi9 n TYR 208 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1xi9 n ASP 209 N 1.23 0.00 -0.76 7.72 -0.08 0.13 0.07 116.55 124.86 1xi9 n ASP 209 Ca 0.18 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.58 1xi9 n ASP 209 Cb 0.54 0.00 0.32 0.00 2.34 0.00 0.00 41.12 44.32 1xi9 n ASP 209 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1xi9 n LEU 210 N 0.00 2.28 -3.82 -2.67 4.77 -1.26 -4.60 117.00 111.69 1xi9 n LEU 210 Ca 0.00 -0.94 -0.42 0.00 -0.03 0.00 0.00 56.01 54.62 1xi9 n LEU 210 Cb 0.00 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1xi9 n LEU 210 CO 0.00 0.47 1.86 0.23 -1.33 0.00 0.00 177.39 178.62 1xi9 n MET 211 N 0.73 3.98 -4.28 3.23 2.81 0.11 -4.94 117.12 118.76 1xi9 n MET 211 Ca 0.17 -3.74 -0.21 0.00 -1.81 0.00 0.00 57.70 52.11 1xi9 n MET 211 Cb 0.43 -2.79 -0.12 0.00 -0.71 0.00 0.00 33.22 30.03 1xi9 n MET 211 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1xi9 s THR 212 N -0.57 1.60 -0.17 2.03 -4.23 -1.26 -0.81 115.64 112.23 1xi9 s THR 212 Ca 0.40 -1.69 -0.11 0.00 -1.18 0.00 0.00 61.69 59.11 1xi9 s THR 212 Cb 0.10 -1.60 -0.07 0.00 1.34 0.00 0.00 72.50 72.27 1xi9 s THR 212 CO 0.00 -0.25 -0.26 -1.22 -0.54 0.00 0.00 174.62 172.35 1xi9 n TYR 213 N 0.70 0.00 -4.14 3.99 4.02 -0.57 -4.98 117.16 116.17 1xi9 n TYR 213 Ca -0.16 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.59 1xi9 n TYR 213 Cb 0.56 -0.61 -0.11 0.00 -0.02 0.00 0.00 39.34 39.16 1xi9 n TYR 213 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1xi9 s GLU 214 N -2.47 0.76 0.00 -0.72 1.03 -1.26 -5.10 118.70 110.93 1xi9 s GLU 214 Ca -0.26 -1.06 0.00 0.00 0.03 0.00 0.00 54.97 53.67 1xi9 s GLU 214 Cb 0.08 -0.44 0.00 0.00 -0.80 0.00 0.00 34.13 32.97 1xi9 s GLU 214 CO 0.34 0.07 0.00 0.41 -1.33 0.00 0.00 175.26 174.75 1xi9 n GLY 215 N 0.76 -0.06 3.50 -3.83 0.00 -1.26 -4.90 105.19 99.40 1xi9 n GLY 215 Ca -0.18 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 1xi9 n GLY 215 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xi9 s GLU 216 N -2.56 2.48 0.14 1.61 0.41 -1.26 -4.97 118.70 114.55 1xi9 s GLU 216 Ca 0.00 -0.72 -0.30 0.00 -0.41 0.00 0.00 54.97 53.54 1xi9 s GLU 216 Cb 0.00 -2.39 -0.07 0.00 -1.78 0.00 0.00 34.13 29.89 1xi9 s GLU 216 CO 0.00 0.62 1.19 -1.58 -0.49 0.00 0.00 175.26 174.99 1xi9 s HIS 217 N -0.80 3.45 -0.11 1.61 2.46 -1.26 -4.95 115.29 115.69 1xi9 s HIS 217 Ca 0.13 1.39 0.03 0.00 0.47 0.00 0.00 55.06 57.08 1xi9 s HIS 217 Cb -0.11 -3.41 0.01 0.00 -0.13 0.00 0.00 32.58 28.94 1xi9 s HIS 217 CO 0.02 -1.18 -0.22 0.42 -2.47 0.00 0.00 174.74 171.31 1xi9 s ILE 218 N 0.32 1.98 0.02 0.89 1.01 -1.26 -5.10 121.20 119.05 1xi9 s ILE 218 Ca 0.55 -0.95 -0.20 0.00 0.00 0.00 0.00 60.65 60.05 1xi9 s ILE 218 Cb -0.31 -1.73 -0.06 0.00 0.01 0.00 0.00 42.46 40.37 1xi9 s ILE 218 CO 0.34 0.54 0.58 -0.55 0.00 0.00 0.00 174.94 175.84 1xi9 s SER 219 N 0.58 6.99 0.54 3.58 0.15 -1.26 -4.96 113.70 119.33 1xi9 s SER 219 Ca -0.13 1.18 0.36 0.00 0.70 0.00 0.00 55.95 58.06 1xi9 s SER 219 Cb -0.17 -2.36 1.86 0.00 -1.71 0.00 0.00 66.02 63.65 1xi9 s SER 219 CO 0.04 0.17 2.10 1.55 1.20 0.00 0.00 173.24 178.30 1xi9 h PRO 220 N 5.25 0.00 -0.53 5.44 0.14 -1.99 -0.90 132.00 139.41 1xi9 h PRO 220 Ca -0.47 0.00 -0.02 0.00 0.14 0.00 0.00 66.00 65.65 1xi9 h PRO 220 Cb 1.21 0.00 -0.03 0.00 0.14 0.00 0.00 31.00 32.32 1xi9 h PRO 220 CO 0.67 0.00 0.23 0.78 0.14 0.00 0.00 178.00 179.82 1xi9 h GLY 221 N 0.55 0.80 2.00 1.56 0.00 -1.95 -1.80 103.07 104.23 1xi9 h GLY 221 Ca 0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1xi9 h GLY 221 CO 0.00 0.36 -0.23 1.76 0.00 0.00 0.00 176.54 178.43 1xi9 h SER 222 N 0.74 0.00 0.00 0.19 0.02 -1.37 -3.34 113.55 109.80 1xi9 h SER 222 Ca 0.18 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1xi9 h SER 222 Cb 0.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1xi9 h SER 222 CO -0.02 0.23 -1.83 0.18 -1.14 0.00 0.00 176.83 174.25 1xi9 n LEU 223 N -3.99 0.00 -4.76 5.07 4.77 -0.86 -5.00 117.00 112.22 1xi9 n LEU 223 Ca -0.02 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.58 1xi9 n LEU 223 Cb 0.31 0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1xi9 n LEU 223 CO 0.35 0.05 0.93 0.28 -1.33 0.00 0.00 177.39 177.67 1xi9 s THR 224 N -3.11 2.52 -0.01 -5.08 -1.32 -0.73 -4.98 115.64 102.92 1xi9 s THR 224 Ca -0.07 0.41 -0.01 0.00 -1.21 0.00 0.00 61.69 60.81 1xi9 s THR 224 Cb 0.10 -3.21 -0.00 0.00 -1.51 0.00 0.00 72.50 67.88 1xi9 s THR 224 CO 0.72 0.01 -0.02 0.29 -2.21 0.00 0.00 174.62 173.40 1xi9 n LYS 225 N -0.61 0.04 -0.01 7.08 4.76 -1.26 -4.89 118.16 123.27 1xi9 n LYS 225 Ca 0.08 0.01 0.10 0.00 -2.87 0.00 0.00 58.31 55.63 1xi9 n LYS 225 Cb 0.46 -0.45 -0.14 0.00 -1.84 0.00 0.00 35.03 33.06 1xi9 n LYS 225 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1xi9 n ASP 226 N -2.65 0.58 -4.78 4.39 8.00 -1.26 -5.00 116.55 115.83 1xi9 n ASP 226 Ca -0.01 -0.25 -0.38 0.00 0.71 0.00 0.00 54.79 54.86 1xi9 n ASP 226 Cb 0.03 1.67 -0.06 0.00 -0.02 0.00 0.00 41.12 42.75 1xi9 n ASP 226 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1xi9 s VAL 227 N -3.23 5.09 0.24 2.53 -7.23 -1.26 -5.04 120.40 111.49 1xi9 s VAL 227 Ca -0.03 0.91 -0.30 0.00 -1.81 0.00 0.00 61.98 60.75 1xi9 s VAL 227 Cb 0.13 -3.77 -0.09 0.00 0.56 0.00 0.00 36.38 33.21 1xi9 s VAL 227 CO 0.82 0.45 1.31 -2.16 -0.31 0.00 0.00 175.10 175.21 1xi9 s PRO 228 N -0.23 4.38 -0.10 4.82 0.04 -1.26 -4.84 135.00 137.81 1xi9 s PRO 228 Ca 0.25 2.10 0.03 0.00 0.04 0.00 0.00 61.00 63.41 1xi9 s PRO 228 Cb -0.16 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.23 1xi9 s PRO 228 CO 0.12 -0.23 -0.18 0.08 0.04 0.00 0.00 177.00 176.83 1xi9 s VAL 229 N -0.23 1.66 -0.33 -0.36 1.01 0.12 -1.58 120.40 120.69 1xi9 s VAL 229 Ca 0.55 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.66 1xi9 s VAL 229 Cb -0.37 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.53 1xi9 s VAL 229 CO 0.42 0.47 0.17 -0.63 0.00 0.00 0.00 175.10 175.53 1xi9 s ILE 230 N 0.71 4.57 -0.16 2.22 1.01 0.57 -0.70 121.20 129.43 1xi9 s ILE 230 Ca -0.12 -0.59 -0.08 0.00 0.00 0.00 0.00 60.65 59.86 1xi9 s ILE 230 Cb -0.16 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1xi9 s ILE 230 CO 0.02 -0.04 0.11 -0.69 0.00 0.00 0.00 174.94 174.34 1xi9 s VAL 231 N 1.59 5.20 -0.03 2.92 1.01 -0.73 -0.27 120.40 130.09 1xi9 s VAL 231 Ca 0.04 0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.19 1xi9 s VAL 231 Cb -0.18 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1xi9 s VAL 231 CO 0.06 0.53 -0.24 -0.04 0.00 0.00 0.00 175.10 175.41 1xi9 s MET 232 N -0.27 2.09 0.35 2.72 -1.94 -0.24 -1.12 119.30 120.89 1xi9 s MET 232 Ca 0.10 -0.86 -0.14 0.00 -1.71 0.00 0.00 55.69 53.08 1xi9 s MET 232 Cb -0.12 -1.94 0.03 0.00 2.01 0.00 0.00 34.83 34.82 1xi9 s MET 232 CO 0.01 0.47 0.68 1.21 -0.01 0.00 0.00 175.02 177.39 1xi9 s ASN 233 N -0.44 0.15 0.00 3.03 3.84 -0.36 -1.19 114.94 119.96 1xi9 s ASN 233 Ca 0.06 -1.11 0.00 0.00 0.21 0.00 0.00 52.86 52.01 1xi9 s ASN 233 Cb -0.10 0.77 0.00 0.00 -0.55 0.00 0.00 41.25 41.37 1xi9 s ASN 233 CO 0.00 -1.50 0.00 0.61 -2.79 0.00 0.00 177.10 173.42 1xi9 n GLY 234 N -0.51 0.48 0.11 1.21 0.00 -1.26 0.03 105.19 105.24 1xi9 n GLY 234 Ca -0.05 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.30 1xi9 n GLY 234 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xi9 h LEU 235 N 0.00 0.00 -0.55 0.99 3.38 -1.64 -3.42 115.31 114.07 1xi9 h LEU 235 Ca 0.00 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 57.99 1xi9 h LEU 235 Cb 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1xi9 h LEU 235 CO 0.00 0.03 0.23 0.28 0.09 0.00 0.00 178.44 179.07 1xi9 h SER 236 N 0.00 0.27 0.00 -0.43 0.02 -1.75 -2.44 113.55 109.23 1xi9 h SER 236 Ca 0.00 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1xi9 h SER 236 Cb 0.95 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 1xi9 h SER 236 CO 0.00 0.18 -0.80 0.29 -1.14 0.00 0.00 176.83 175.36 1xi9 n LYS 237 N -4.95 0.40 0.26 3.45 4.76 -1.26 -2.39 118.16 118.43 1xi9 n LYS 237 Ca 0.06 0.16 0.09 0.00 -2.87 0.00 0.00 58.31 55.75 1xi9 n LYS 237 Cb 0.21 -1.20 0.66 0.00 -1.84 0.00 0.00 35.03 32.85 1xi9 n LYS 237 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1xi9 h VAL 238 N -0.75 0.93 -0.02 -0.18 2.07 -1.76 -2.55 116.25 113.98 1xi9 h VAL 238 Ca -0.02 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1xi9 h VAL 238 Cb 0.78 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1xi9 h VAL 238 CO -0.01 0.05 0.00 -1.22 0.02 0.00 0.00 177.57 176.41 1xi9 n TYR 239 N -4.32 0.00 -3.53 1.57 4.01 -1.15 -4.94 117.16 108.80 1xi9 n TYR 239 Ca -0.03 -0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.49 1xi9 n TYR 239 Cb 0.14 -0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.25 1xi9 n TYR 239 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1xi9 n PHE 240 N 0.72 -2.65 -2.70 -0.72 3.72 -0.96 -4.09 117.46 110.78 1xi9 n PHE 240 Ca 0.07 0.98 -0.19 0.00 -0.05 0.00 0.00 57.45 58.27 1xi9 n PHE 240 Cb 0.32 -5.02 0.00 0.00 -0.94 0.00 0.00 39.48 33.85 1xi9 n PHE 240 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xi9 n ALA 241 N -4.72 4.00 -0.24 4.37 0.00 -0.94 -2.73 120.51 120.25 1xi9 n ALA 241 Ca -0.08 -3.80 -0.00 0.00 0.00 0.00 0.00 53.44 49.56 1xi9 n ALA 241 Cb 0.59 -0.77 0.12 0.00 0.00 0.00 0.00 19.45 19.40 1xi9 n ALA 241 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1xi9 h THR 242 N 2.59 0.92 0.00 0.00 1.35 -1.78 -2.28 112.91 113.70 1xi9 h THR 242 Ca 0.10 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1xi9 h THR 242 Cb 0.97 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1xi9 h THR 242 CO 0.67 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 1xi9 n GLY 243 N -1.30 -1.21 0.15 5.82 0.00 -1.26 -3.33 105.19 104.06 1xi9 n GLY 243 Ca 0.10 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1xi9 n GLY 243 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1xi9 h TRP 244 N 0.00 0.00 -6.18 1.61 6.55 -1.82 -3.48 115.95 112.64 1xi9 h TRP 244 Ca 0.00 0.00 -0.43 0.00 0.95 0.00 0.00 58.89 59.41 1xi9 h TRP 244 Cb 0.31 0.00 0.07 0.00 -0.86 0.00 0.00 29.16 28.68 1xi9 h TRP 244 CO 0.00 0.00 -0.90 0.54 -1.05 0.00 0.00 178.44 177.03 1xi9 n ARG 245 N -2.66 -2.37 -4.27 0.49 5.12 -1.21 -4.94 116.66 106.83 1xi9 n ARG 245 Ca 0.04 0.51 -0.19 0.00 -1.93 0.00 0.00 57.85 56.28 1xi9 n ARG 245 Cb 0.49 -4.54 -0.15 0.00 -1.16 0.00 0.00 32.46 27.10 1xi9 n ARG 245 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1xi9 s LEU 246 N -6.50 1.72 0.00 0.55 2.96 -1.26 -3.03 118.68 113.12 1xi9 s LEU 246 Ca 0.30 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1xi9 s LEU 246 Cb -0.10 -0.44 0.00 0.00 0.50 0.00 0.00 46.19 46.15 1xi9 s LEU 246 CO 0.85 0.03 0.00 0.61 -1.32 0.00 0.00 176.35 176.52 1xi9 n GLY 247 N 3.39 2.76 3.70 7.98 0.00 -0.65 -1.62 105.19 120.76 1xi9 n GLY 247 Ca -0.19 -1.00 -0.07 0.00 0.00 0.00 0.00 46.02 44.76 1xi9 n GLY 247 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xi9 s TYR 248 N -5.65 -0.27 0.12 1.61 1.13 0.10 -1.32 117.35 113.07 1xi9 s TYR 248 Ca 0.00 -0.07 0.03 0.00 -1.41 0.00 0.00 57.07 55.63 1xi9 s TYR 248 Cb 0.00 0.64 -0.04 0.00 -1.10 0.00 0.00 41.96 41.46 1xi9 s TYR 248 CO 0.00 -0.99 -0.09 0.00 -2.51 0.00 0.00 175.55 171.96 1xi9 s MET 249 N -3.66 0.93 0.20 -3.49 0.23 -0.06 -1.22 119.30 112.22 1xi9 s MET 249 Ca 0.08 -1.33 -0.11 0.00 -1.03 0.00 0.00 55.69 53.30 1xi9 s MET 249 Cb -0.03 -0.47 -0.00 0.00 -1.53 0.00 0.00 34.83 32.80 1xi9 s MET 249 CO -0.00 0.05 0.38 1.52 -2.03 0.00 0.00 175.02 174.94 1xi9 s TYR 250 N -3.15 0.33 -0.12 3.16 -0.85 -0.28 -0.82 117.35 115.62 1xi9 s TYR 250 Ca 0.12 -0.68 0.03 0.00 -0.52 0.00 0.00 57.07 56.01 1xi9 s TYR 250 Cb 0.02 0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.44 1xi9 s TYR 250 CO -0.01 -0.83 -0.22 -0.06 -1.52 0.00 0.00 175.55 172.90 1xi9 s PHE 251 N -3.98 2.63 -0.60 -3.49 0.08 -0.50 -1.77 117.98 110.36 1xi9 s PHE 251 Ca 0.18 -1.17 -0.10 0.00 0.12 0.00 0.00 56.93 55.97 1xi9 s PHE 251 Cb 0.01 -1.77 0.15 0.00 -0.57 0.00 0.00 43.02 40.85 1xi9 s PHE 251 CO 0.03 -0.50 0.49 0.08 -0.10 0.00 0.00 175.22 175.21 1xi9 s VAL 252 N 0.58 4.56 -0.43 -0.44 1.01 0.13 -4.91 120.40 120.91 1xi9 s VAL 252 Ca -0.12 -2.18 0.05 0.00 0.00 0.00 0.00 61.98 59.73 1xi9 s VAL 252 Cb -0.17 -3.93 0.30 0.00 0.00 0.00 0.00 36.38 32.58 1xi9 s VAL 252 CO 0.03 -0.87 1.15 -0.67 0.00 0.00 0.00 175.10 174.74 1xi9 n ASP 253 N 4.41 -2.12 0.17 3.32 2.03 -1.26 -0.70 116.55 122.39 1xi9 n ASP 253 Ca 0.00 -3.07 0.13 0.00 0.52 0.00 0.00 54.79 52.37 1xi9 n ASP 253 Cb 0.42 1.65 0.56 0.00 -0.72 0.00 0.00 41.12 43.02 1xi9 n ASP 253 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1xi9 h PRO 254 N 3.01 0.00 -0.23 -0.67 0.13 -1.96 -0.89 132.00 131.39 1xi9 h PRO 254 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1xi9 h PRO 254 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1xi9 h PRO 254 CO 0.11 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.27 1xi9 n GLU 255 N -2.42 2.23 -3.90 0.86 1.02 -1.26 -4.97 120.64 112.21 1xi9 n GLU 255 Ca 0.01 -1.84 -0.28 0.00 -0.02 0.00 0.00 57.16 55.03 1xi9 n GLU 255 Cb 0.22 -1.47 0.02 0.00 -0.02 0.00 0.00 31.44 30.18 1xi9 n GLU 255 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xi9 n ASN 256 N 1.10 -3.07 0.29 1.62 3.02 -0.34 -4.87 115.26 113.02 1xi9 n ASN 256 Ca 0.17 -0.85 0.15 0.00 -0.03 0.00 0.00 54.58 54.02 1xi9 n ASN 256 Cb 0.53 -3.70 0.88 0.00 -0.61 0.00 0.00 39.78 36.88 1xi9 n ASN 256 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1xi9 h LYS 257 N -1.93 0.00 -0.54 3.52 6.56 -1.94 -2.35 116.57 119.88 1xi9 h LYS 257 Ca -0.60 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 58.99 1xi9 h LYS 257 Cb 1.37 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.03 1xi9 h LYS 257 CO 0.65 0.02 0.00 1.28 -2.06 0.00 0.00 179.45 179.34 1xi9 n LEU 258 N -3.84 4.77 -0.21 2.94 4.77 -1.26 -4.68 117.00 119.50 1xi9 n LEU 258 Ca -0.03 -2.65 0.02 0.00 -0.03 0.00 0.00 56.01 53.32 1xi9 n LEU 258 Cb 0.10 -0.58 0.12 0.00 -2.33 0.00 0.00 43.42 40.74 1xi9 n LEU 258 CO 0.28 0.73 0.90 0.77 -1.33 0.00 0.00 177.39 178.75 1xi9 h SER 259 N 3.52 -0.05 -0.59 -1.43 4.64 -1.80 0.33 113.55 118.16 1xi9 h SER 259 Ca 0.00 0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 61.42 1xi9 h SER 259 Cb 1.55 0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 63.81 1xi9 h SER 259 CO 0.29 -0.03 0.26 -0.08 -0.87 0.00 0.00 176.83 176.40 1xi9 h GLU 260 N 0.23 0.86 -0.18 4.77 4.81 -1.85 0.38 114.58 123.59 1xi9 h GLU 260 Ca 0.34 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1xi9 h GLU 260 Cb 0.53 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1xi9 h GLU 260 CO -0.45 0.72 0.04 0.28 -0.73 0.00 0.00 179.01 178.86 1xi9 h VAL 261 N 0.80 1.21 -0.66 0.32 2.07 -1.47 -2.00 116.25 116.53 1xi9 h VAL 261 Ca 0.20 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 67.08 1xi9 h VAL 261 Cb 0.16 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 1xi9 h VAL 261 CO -0.02 0.21 0.39 0.03 0.02 0.00 0.00 177.57 178.19 1xi9 h ARG 262 N 0.10 0.71 -0.45 1.57 3.08 -0.32 0.79 114.38 119.87 1xi9 h ARG 262 Ca 0.06 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1xi9 h ARG 262 Cb 0.28 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1xi9 h ARG 262 CO 0.00 0.47 0.25 0.93 -1.07 0.00 0.00 179.97 180.56 1xi9 h GLU 263 N 0.73 0.62 -0.27 0.04 5.08 -0.83 -1.84 114.58 118.11 1xi9 h GLU 263 Ca 0.28 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.60 1xi9 h GLU 263 Cb 0.11 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1xi9 h GLU 263 CO -0.15 0.48 0.12 0.00 -1.00 0.00 0.00 179.01 178.46 1xi9 h ALA 264 N 1.10 0.32 -0.76 3.43 0.00 -0.85 -2.18 119.26 120.32 1xi9 h ALA 264 Ca 0.16 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1xi9 h ALA 264 Cb 0.04 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 1xi9 h ALA 264 CO -0.03 -0.28 0.39 0.82 0.00 0.00 0.00 179.25 180.15 1xi9 h ILE 265 N 0.26 0.83 -0.61 0.00 2.04 -0.70 -2.01 117.51 117.32 1xi9 h ILE 265 Ca 0.12 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 1xi9 h ILE 265 Cb 0.06 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.24 1xi9 h ILE 265 CO -0.10 0.12 0.23 0.44 0.00 0.00 0.00 178.15 178.84 1xi9 h ASP 266 N 0.64 0.81 -0.36 1.72 3.45 -0.91 0.11 116.42 121.88 1xi9 h ASP 266 Ca 0.38 -0.11 -0.06 0.00 0.43 0.00 0.00 57.03 57.67 1xi9 h ASP 266 Cb 0.42 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 1xi9 h ASP 266 CO -0.28 0.74 -0.00 0.03 -1.57 0.00 0.00 179.24 178.15 1xi9 h ARG 267 N 0.87 0.64 -0.56 3.56 3.08 -0.94 -0.90 114.38 120.13 1xi9 h ARG 267 Ca 0.21 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1xi9 h ARG 267 Cb 0.19 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1xi9 h ARG 267 CO -0.02 0.75 0.16 -0.07 -1.07 0.00 0.00 179.97 179.72 1xi9 h LEU 268 N 0.45 0.84 -0.94 3.04 3.38 -1.07 -2.61 115.31 118.40 1xi9 h LEU 268 Ca 0.10 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.91 1xi9 h LEU 268 Cb 0.46 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 1xi9 h LEU 268 CO 0.02 0.84 0.60 0.00 0.09 0.00 0.00 178.44 179.99 1xi9 h ALA 269 N 1.03 1.29 -0.27 1.53 0.00 -0.72 -3.11 119.26 119.01 1xi9 h ALA 269 Ca 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1xi9 h ALA 269 Cb 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xi9 h ALA 269 CO -0.00 0.40 0.11 0.00 0.00 0.00 0.00 179.25 179.76 1xi9 h ARG 270 N 1.11 0.40 0.00 0.00 -0.00 -0.80 -3.10 114.38 111.99 1xi9 h ARG 270 Ca 0.40 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.98 59.76 1xi9 h ARG 270 Cb 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.03 1xi9 h ARG 270 CO -0.16 0.42 -0.25 -0.84 0.00 0.00 0.00 179.97 179.14 1xi9 h ILE 271 N 0.28 1.00 -0.01 2.04 3.07 -1.45 -2.47 117.51 119.98 1xi9 h ILE 271 Ca 0.09 -0.92 0.00 0.00 1.55 0.00 0.00 64.86 65.58 1xi9 h ILE 271 Cb 0.17 1.52 0.00 0.00 -0.27 0.00 0.00 36.82 38.24 1xi9 h ILE 271 CO -0.01 0.25 0.00 -1.14 -1.05 0.00 0.00 178.15 176.20 1xi9 n ARG 272 N -3.98 1.18 0.00 0.16 0.00 -1.18 -4.98 116.66 107.86 1xi9 n ARG 272 Ca -0.02 -0.26 0.00 0.00 -0.00 0.00 0.00 57.85 57.57 1xi9 n ARG 272 Cb 0.33 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.31 1xi9 n ARG 272 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1xi9 n LEU 273 N -0.67 0.00 -3.59 6.15 4.77 -0.93 -4.84 117.00 117.89 1xi9 n LEU 273 Ca 0.22 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.16 1xi9 n LEU 273 Cb 0.17 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1xi9 n LEU 273 CO 0.17 0.00 0.99 0.00 -1.33 0.00 0.00 177.39 177.22 1xi9 n PRO 275 N -0.14 -1.18 -1.74 0.00 -0.04 -1.26 -5.00 135.00 125.64 1xi9 n PRO 275 Ca -0.01 -1.73 -0.42 0.00 -0.04 0.00 0.00 63.50 61.30 1xi9 n PRO 275 Cb 0.59 -1.17 -0.02 0.00 -0.04 0.00 0.00 33.50 32.86 1xi9 n PRO 275 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1xi9 n ASN 276 N -3.77 3.74 -0.01 3.54 2.85 -1.26 -4.74 115.26 115.61 1xi9 n ASN 276 Ca 0.14 1.14 -0.01 0.00 -0.11 0.00 0.00 54.58 55.74 1xi9 n ASN 276 Cb 0.49 -1.57 -0.00 0.00 1.24 0.00 0.00 39.78 39.93 1xi9 n ASN 276 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1xi9 h THR 277 N 3.34 0.00 -0.88 -0.44 2.02 -1.87 -3.34 112.91 111.75 1xi9 h THR 277 Ca -0.46 -0.67 0.17 0.00 0.77 0.00 0.00 66.41 66.21 1xi9 h THR 277 Cb 1.23 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.57 1xi9 h THR 277 CO 0.80 0.00 0.57 1.55 0.37 0.00 0.00 175.52 178.81 1xi9 h PRO 278 N -0.73 0.54 0.00 6.66 0.13 -1.91 -0.66 132.00 136.03 1xi9 h PRO 278 Ca -0.01 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1xi9 h PRO 278 Cb 0.05 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.05 1xi9 h PRO 278 CO 0.01 0.36 -0.06 0.00 -0.23 0.00 0.00 178.00 178.08 1xi9 h ALA 279 N 1.61 1.51 0.00 -0.56 0.00 -1.90 -2.06 119.26 117.86 1xi9 h ALA 279 Ca 0.45 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.24 1xi9 h ALA 279 Cb 0.89 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1xi9 h ALA 279 CO -0.19 0.07 -0.31 1.96 0.00 0.00 0.00 179.25 180.78 1xi9 h GLN 280 N 0.00 0.00 -0.22 0.00 4.20 -1.23 -0.30 115.11 117.56 1xi9 h GLN 280 Ca -0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 1xi9 h GLN 280 Cb 0.14 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1xi9 h GLN 280 CO 0.01 0.31 -0.59 0.74 -0.67 0.00 0.00 178.83 178.63 1xi9 h PHE 281 N 0.00 0.92 -0.72 2.96 -1.00 -1.48 -2.21 116.94 115.42 1xi9 h PHE 281 Ca -0.00 -0.34 0.04 0.00 2.81 0.00 0.00 57.97 60.47 1xi9 h PHE 281 Cb 0.58 -0.17 -0.05 0.00 3.61 0.00 0.00 35.95 39.92 1xi9 h PHE 281 CO 0.00 1.14 0.44 0.00 -1.61 0.00 0.00 178.31 178.28 1xi9 h ALA 282 N 0.79 0.95 -0.55 2.45 0.00 -1.43 -2.34 119.26 119.13 1xi9 h ALA 282 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1xi9 h ALA 282 Cb 1.18 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1xi9 h ALA 282 CO 0.12 0.19 0.36 0.00 0.00 0.00 0.00 179.25 179.92 1xi9 h ALA 283 N 1.32 0.70 -0.52 0.00 0.00 -0.97 -1.84 119.26 117.95 1xi9 h ALA 283 Ca 0.30 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.22 1xi9 h ALA 283 Cb 0.07 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1xi9 h ALA 283 CO -0.13 0.11 0.27 0.82 0.00 0.00 0.00 179.25 180.32 1xi9 h ILE 284 N 0.72 0.96 -1.00 0.00 2.04 -1.28 -0.33 117.51 118.62 1xi9 h ILE 284 Ca 0.20 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.91 1xi9 h ILE 284 Cb -0.06 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.36 1xi9 h ILE 284 CO -0.06 0.09 0.66 0.00 0.00 0.00 0.00 178.15 178.85 1xi9 h ALA 285 N 1.28 1.32 -0.06 1.87 0.00 -1.01 -0.97 119.26 121.69 1xi9 h ALA 285 Ca 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1xi9 h ALA 285 Cb 0.14 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1xi9 h ALA 285 CO -0.16 0.61 -0.01 0.78 0.00 0.00 0.00 179.25 180.47 1xi9 h GLY 286 N 1.31 0.12 1.12 0.00 0.00 -0.88 -2.26 103.07 102.48 1xi9 h GLY 286 Ca 0.38 -0.09 -0.16 0.00 0.00 0.00 0.00 47.33 47.47 1xi9 h GLY 286 CO -0.10 0.08 -0.36 1.41 0.00 0.00 0.00 176.54 177.57 1xi9 h LEU 287 N -0.20 1.00 0.00 3.11 3.38 -0.93 -3.18 115.31 118.49 1xi9 h LEU 287 Ca 0.02 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1xi9 h LEU 287 Cb 0.36 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1xi9 h LEU 287 CO 0.00 1.25 -0.48 0.35 0.09 0.00 0.00 178.44 179.66 1xi9 n THR 288 N -4.07 0.16 -2.26 0.22 -2.24 -0.38 -4.76 114.28 100.95 1xi9 n THR 288 Ca -0.02 -0.12 -0.26 0.00 -2.27 0.00 0.00 64.05 61.39 1xi9 n THR 288 Cb 0.54 -0.01 0.09 0.00 -2.10 0.00 0.00 70.33 68.84 1xi9 n THR 288 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1xi9 s GLY 289 N -3.28 1.72 0.45 3.38 0.00 -0.85 -5.07 107.32 103.67 1xi9 s GLY 289 Ca 0.09 -1.12 -0.23 0.00 0.00 0.00 0.00 44.72 43.46 1xi9 s GLY 289 CO 0.69 -0.65 1.15 2.56 0.00 0.00 0.00 173.10 176.85 1xi9 s PRO 290 N -5.28 3.83 -0.19 2.90 0.04 -1.26 -4.96 135.00 130.08 1xi9 s PRO 290 Ca 0.63 1.75 0.13 0.00 0.04 0.00 0.00 61.00 63.55 1xi9 s PRO 290 Cb -0.09 -2.45 0.71 0.00 0.04 0.00 0.00 34.50 32.71 1xi9 s PRO 290 CO 0.45 -0.48 1.58 -1.33 0.04 0.00 0.00 177.00 177.26 1xi9 n MET 291 N -0.38 4.26 -0.28 4.56 2.81 -1.26 -4.54 117.12 122.28 1xi9 n MET 291 Ca 0.07 -2.72 0.04 0.00 -1.81 0.00 0.00 57.70 53.28 1xi9 n MET 291 Cb 0.48 -2.12 0.18 0.00 -0.71 0.00 0.00 33.22 31.05 1xi9 n MET 291 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1xi9 h ASP 292 N 3.51 0.58 -0.92 7.83 3.45 -2.02 -2.04 116.42 126.81 1xi9 h ASP 292 Ca 0.00 0.07 0.21 0.00 0.43 0.00 0.00 57.03 57.74 1xi9 h ASP 292 Cb 1.72 -0.04 -0.07 0.00 -0.56 0.00 0.00 39.33 40.39 1xi9 h ASP 292 CO 0.40 0.30 0.61 0.10 -1.57 0.00 0.00 179.24 179.08 1xi9 h TYR 293 N 0.70 0.53 -0.00 4.55 -0.00 -2.02 -1.18 116.97 119.54 1xi9 h TYR 293 Ca 0.41 0.02 -0.18 0.00 -0.00 0.00 0.00 58.73 58.98 1xi9 h TYR 293 Cb 0.47 -0.16 -0.02 0.00 -0.00 0.00 0.00 36.73 37.02 1xi9 h TYR 293 CO -0.08 0.13 -0.80 1.25 -0.00 0.00 0.00 178.16 178.66 1xi9 h LEU 294 N 0.39 0.13 -0.58 0.10 5.85 -1.73 -3.23 115.31 116.24 1xi9 h LEU 294 Ca 0.48 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 59.17 1xi9 h LEU 294 Cb 1.23 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.16 1xi9 h LEU 294 CO -0.18 0.87 0.27 0.11 -0.34 0.00 0.00 178.44 179.17 1xi9 h LYS 295 N 0.06 0.48 -0.33 1.25 1.57 -1.22 0.21 116.57 118.59 1xi9 h LYS 295 Ca -0.02 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 1xi9 h LYS 295 Cb 1.40 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 1xi9 h LYS 295 CO 0.11 0.32 -0.27 0.93 -0.57 0.00 0.00 179.45 179.97 1xi9 h GLU 296 N 0.49 0.68 -0.14 3.15 4.39 -1.58 -2.64 114.58 118.93 1xi9 h GLU 296 Ca 0.27 -0.29 -0.17 0.00 0.34 0.00 0.00 59.36 59.52 1xi9 h GLU 296 Cb 0.25 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1xi9 h GLU 296 CO -0.23 0.88 -0.56 1.88 -1.16 0.00 0.00 179.01 179.83 1xi9 h TYR 297 N 0.59 0.84 -0.32 4.33 0.99 -1.50 -3.16 116.97 118.73 1xi9 h TYR 297 Ca 0.08 -0.35 -0.02 0.00 2.00 0.00 0.00 58.73 60.43 1xi9 h TYR 297 Cb 0.77 -0.14 -0.02 0.00 1.00 0.00 0.00 36.73 38.34 1xi9 h TYR 297 CO 0.04 1.14 0.10 0.52 -0.00 0.00 0.00 178.16 179.96 1xi9 h MET 298 N 0.29 0.46 -0.03 4.88 2.86 -0.95 -0.50 114.93 121.94 1xi9 h MET 298 Ca -0.03 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1xi9 h MET 298 Cb 1.19 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.76 1xi9 h MET 298 CO 0.12 0.41 0.02 0.87 1.06 0.00 0.00 176.91 179.38 1xi9 h LYS 299 N 0.46 0.04 -0.37 1.72 6.56 -1.47 0.15 116.57 123.66 1xi9 h LYS 299 Ca 0.11 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 1xi9 h LYS 299 Cb 0.14 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.77 1xi9 h LYS 299 CO -0.01 0.09 0.24 0.87 -2.06 0.00 0.00 179.45 178.58 1xi9 h LYS 300 N -0.01 0.48 -0.62 3.15 1.57 -1.43 -2.34 116.57 117.36 1xi9 h LYS 300 Ca 0.01 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1xi9 h LYS 300 Cb 0.05 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1xi9 h LYS 300 CO -0.00 0.32 0.17 -0.07 -0.57 0.00 0.00 179.45 179.30 1xi9 h LEU 301 N 0.49 0.92 -0.79 2.94 3.38 -1.02 -1.80 115.31 119.44 1xi9 h LEU 301 Ca 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1xi9 h LEU 301 Cb -0.05 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1xi9 h LEU 301 CO -0.03 0.90 0.45 0.50 0.09 0.00 0.00 178.44 180.35 1xi9 h LYS 302 N 0.90 1.10 -0.35 1.13 3.64 -0.61 0.29 116.57 122.67 1xi9 h LYS 302 Ca 0.20 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 1xi9 h LYS 302 Cb 0.32 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1xi9 h LYS 302 CO -0.00 0.80 -0.24 1.05 -2.27 0.00 0.00 179.45 178.79 1xi9 h GLU 303 N 1.10 0.70 -0.50 1.90 4.11 -1.29 0.11 114.58 120.70 1xi9 h GLU 303 Ca 0.28 -0.28 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 1xi9 h GLU 303 Cb 0.01 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1xi9 h GLU 303 CO -0.05 0.87 -0.15 0.00 0.07 0.00 0.00 179.01 179.75 1xi9 h ARG 304 N 0.61 0.97 0.32 1.06 3.08 -1.06 -0.26 114.38 119.09 1xi9 h ARG 304 Ca 0.08 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 1xi9 h ARG 304 Cb 0.73 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1xi9 h ARG 304 CO 0.06 1.04 -0.24 -0.09 -1.07 0.00 0.00 179.97 179.66 1xi9 h ARG 305 N 0.85 -0.54 -0.62 0.04 1.12 -0.25 -2.00 114.38 112.98 1xi9 h ARG 305 Ca 0.13 0.04 0.05 0.00 -1.11 0.00 0.00 59.98 59.08 1xi9 h ARG 305 Cb 0.71 0.12 -0.05 0.00 -0.01 0.00 0.00 29.97 30.74 1xi9 h ARG 305 CO 0.05 -0.36 0.34 -0.44 -3.11 0.00 0.00 179.97 176.45 1xi9 h ASP 306 N -0.57 0.51 -0.33 -3.80 3.32 -0.87 -2.10 116.42 112.59 1xi9 h ASP 306 Ca -0.02 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1xi9 h ASP 306 Cb 0.49 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1xi9 h ASP 306 CO -0.01 0.34 0.05 0.22 -1.72 0.00 0.00 179.24 178.12 1xi9 h TYR 307 N 0.65 0.58 -0.00 4.55 5.03 -0.95 -2.20 116.97 124.62 1xi9 h TYR 307 Ca 0.27 -0.08 -0.20 0.00 2.58 0.00 0.00 58.73 61.30 1xi9 h TYR 307 Cb 0.15 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.26 1xi9 h TYR 307 CO -0.08 0.62 -0.87 0.97 -1.32 0.00 0.00 178.16 177.49 1xi9 h ILE 308 N 0.37 1.48 -0.33 1.81 2.10 -1.25 -0.46 117.51 121.23 1xi9 h ILE 308 Ca 0.10 -2.58 -0.01 0.00 1.08 0.00 0.00 64.86 63.45 1xi9 h ILE 308 Cb 0.36 2.44 -0.02 0.00 -1.09 0.00 0.00 36.82 38.51 1xi9 h ILE 308 CO 0.01 0.75 0.17 0.22 -1.08 0.00 0.00 178.15 178.21 1xi9 h TYR 309 N 0.12 0.48 0.31 2.19 5.03 -1.40 0.15 116.97 123.85 1xi9 h TYR 309 Ca -0.04 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.23 1xi9 h TYR 309 Cb 1.49 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 39.62 1xi9 h TYR 309 CO 0.03 0.41 -0.15 -0.22 -1.32 0.00 0.00 178.16 176.91 1xi9 h LYS 310 N 0.41 -0.40 -0.54 1.82 3.64 -1.33 -2.07 116.57 118.10 1xi9 h LYS 310 Ca 0.12 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1xi9 h LYS 310 Cb 0.11 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1xi9 h LYS 310 CO -0.02 -0.26 0.24 0.00 -2.27 0.00 0.00 179.45 177.14 1xi9 h ARG 311 N -0.41 0.79 -0.27 1.90 2.47 -1.00 -2.84 114.38 115.01 1xi9 h ARG 311 Ca -0.04 -0.13 -0.00 0.00 -1.26 0.00 0.00 59.98 58.55 1xi9 h ARG 311 Cb 0.32 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 1xi9 h ARG 311 CO 0.07 0.67 0.15 -0.07 0.56 0.00 0.00 179.97 181.35 1xi9 h LEU 312 N 0.73 0.33 -1.25 3.04 3.38 -0.67 -2.90 115.31 117.97 1xi9 h LEU 312 Ca 0.18 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xi9 h LEU 312 Cb 0.15 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1xi9 h LEU 312 CO -0.02 0.31 0.00 0.78 0.09 0.00 0.00 178.44 179.60 1xi9 h ASN 313 N 0.33 0.00 -0.41 -0.43 2.35 -1.38 -2.84 115.58 113.19 1xi9 h ASN 313 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1xi9 h ASN 313 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1xi9 h ASN 313 CO -0.02 0.00 0.00 -1.84 -1.65 0.00 0.00 177.43 173.92 1xi9 n GLU 314 N -2.73 2.81 -3.82 0.81 0.28 -1.07 -4.80 120.64 112.12 1xi9 n GLU 314 Ca 0.01 -1.85 -0.36 0.00 -0.16 0.00 0.00 57.16 54.80 1xi9 n GLU 314 Cb 0.26 -1.69 -0.13 0.00 1.43 0.00 0.00 31.44 31.30 1xi9 n GLU 314 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1xi9 s ILE 315 N -1.76 3.77 0.36 3.84 1.01 -1.07 -5.09 121.20 122.26 1xi9 s ILE 315 Ca 0.33 -0.56 -0.28 0.00 0.00 0.00 0.00 60.65 60.14 1xi9 s ILE 315 Cb 0.22 -2.84 -0.11 0.00 0.01 0.00 0.00 42.46 39.74 1xi9 s ILE 315 CO 0.15 0.24 1.45 -2.84 0.00 0.00 0.00 174.94 173.94 1xi9 s PRO 316 N 1.50 4.17 0.00 2.79 0.02 -1.26 -2.18 135.00 140.03 1xi9 s PRO 316 Ca 0.04 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.55 1xi9 s PRO 316 Cb -0.16 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.37 1xi9 s PRO 316 CO 0.00 -0.45 0.00 0.41 -0.33 0.00 0.00 177.00 176.63 1xi9 n GLY 317 N 0.56 1.17 3.05 0.52 0.00 -1.26 -4.91 105.19 104.32 1xi9 n GLY 317 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1xi9 n GLY 317 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xi9 s ILE 318 N -2.35 1.40 0.10 -0.61 -1.09 -0.93 -0.04 121.20 117.68 1xi9 s ILE 318 Ca 0.00 -0.60 0.04 0.00 -2.23 0.00 0.00 60.65 57.86 1xi9 s ILE 318 Cb 0.00 -1.27 -0.04 0.00 -1.58 0.00 0.00 42.46 39.57 1xi9 s ILE 318 CO 0.00 0.42 -0.11 -0.94 -1.23 0.00 0.00 174.94 173.07 1xi9 s SER 319 N 0.84 1.64 -0.00 3.58 1.04 -1.12 -4.53 113.70 115.15 1xi9 s SER 319 Ca -0.10 -0.80 -0.18 0.00 0.48 0.00 0.00 55.95 55.34 1xi9 s SER 319 Cb -0.15 -0.02 0.03 0.00 0.10 0.00 0.00 66.02 65.98 1xi9 s SER 319 CO 0.01 -0.22 0.39 0.28 0.98 0.00 0.00 173.24 174.69 1xi9 s THR 320 N -2.30 0.05 0.63 2.02 -1.32 -1.26 0.34 115.64 113.80 1xi9 s THR 320 Ca 0.06 -0.42 -0.11 0.00 -1.21 0.00 0.00 61.69 60.01 1xi9 s THR 320 Cb -0.04 -0.78 -0.03 0.00 -1.51 0.00 0.00 72.50 70.14 1xi9 s THR 320 CO 0.01 -0.23 1.04 0.42 -2.21 0.00 0.00 174.62 173.65 1xi9 s THR 321 N -1.70 4.57 -0.37 5.08 -4.23 -1.26 -4.98 115.64 112.75 1xi9 s THR 321 Ca -0.10 0.83 -0.23 0.00 -1.18 0.00 0.00 61.69 61.01 1xi9 s THR 321 Cb -0.03 -3.79 0.01 0.00 1.34 0.00 0.00 72.50 70.04 1xi9 s THR 321 CO 0.03 -1.09 0.78 -0.75 -0.54 0.00 0.00 174.62 173.05 1xi9 s LYS 322 N -5.16 3.72 0.27 3.99 2.20 -1.26 -4.81 119.74 118.69 1xi9 s LYS 322 Ca 0.56 0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 56.13 1xi9 s LYS 322 Cb -0.11 -3.82 -0.11 0.00 -1.51 0.00 0.00 37.83 32.28 1xi9 s LYS 322 CO 0.54 -0.86 1.54 -2.14 -0.36 0.00 0.00 175.35 174.07 1xi9 s PRO 323 N 3.09 4.18 -0.01 4.03 0.02 -1.26 -4.92 135.00 140.13 1xi9 s PRO 323 Ca 0.31 2.47 0.22 0.00 0.02 0.00 0.00 61.00 64.02 1xi9 s PRO 323 Cb -0.13 -3.06 -0.23 0.00 0.02 0.00 0.00 34.50 31.10 1xi9 s PRO 323 CO 0.17 -0.56 0.78 1.04 -0.33 0.00 0.00 177.00 178.11 1xi9 n GLN 324 N 2.29 0.24 -3.99 5.54 6.02 0.53 -4.86 117.38 123.15 1xi9 n GLN 324 Ca 0.08 -0.07 -0.12 0.00 -0.01 0.00 0.00 57.00 56.88 1xi9 n GLN 324 Cb 0.38 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 1xi9 n GLN 324 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1xi9 s GLY 325 N -3.55 0.97 0.00 1.08 0.00 -0.54 -1.51 107.32 103.77 1xi9 s GLY 325 Ca 0.02 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.58 1xi9 s GLY 325 CO 0.87 -0.72 0.00 0.00 0.00 0.00 0.00 173.10 173.25 1xi9 n ALA 326 N -0.52 0.00 -2.50 3.20 0.00 0.01 -4.42 120.51 116.28 1xi9 n ALA 326 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.37 1xi9 n ALA 326 Cb 0.61 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.11 1xi9 n ALA 326 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1xi9 n PHE 327 N 0.00 1.30 -4.40 0.00 1.16 -1.26 -4.92 117.46 109.33 1xi9 n PHE 327 Ca 0.00 -1.84 -0.27 0.00 -1.87 0.00 0.00 57.45 53.48 1xi9 n PHE 327 Cb 0.00 -0.24 -0.12 0.00 -1.61 0.00 0.00 39.48 37.51 1xi9 n PHE 327 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 1xi9 s TYR 328 N -3.08 2.24 0.02 2.97 2.02 -1.26 -2.07 117.35 118.18 1xi9 s TYR 328 Ca 0.35 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.70 1xi9 s TYR 328 Cb 0.36 -1.13 -0.01 0.00 -0.40 0.00 0.00 41.96 40.77 1xi9 s TYR 328 CO -0.05 0.45 -0.10 -1.50 -1.57 0.00 0.00 175.55 172.78 1xi9 s ILE 329 N -1.58 0.77 -0.58 2.71 2.07 0.07 -4.27 121.20 120.38 1xi9 s ILE 329 Ca 0.19 -0.70 0.06 0.00 -1.41 0.00 0.00 60.65 58.78 1xi9 s ILE 329 Cb -0.08 -0.70 0.22 0.00 0.13 0.00 0.00 42.46 42.03 1xi9 s ILE 329 CO 0.09 0.01 0.60 0.33 -1.91 0.00 0.00 174.94 174.07 1xi9 n PHE 330 N 2.28 2.31 -2.23 3.50 7.35 -1.26 -0.90 117.46 128.52 1xi9 n PHE 330 Ca -0.17 -3.99 -0.34 0.00 -0.76 0.00 0.00 57.45 52.19 1xi9 n PHE 330 Cb 0.56 -0.45 0.00 0.00 0.35 0.00 0.00 39.48 39.94 1xi9 n PHE 330 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1xi9 s PRO 331 N -1.74 3.38 0.06 -7.13 0.02 -0.98 -4.69 135.00 123.93 1xi9 s PRO 331 Ca 0.35 1.46 -0.21 0.00 0.02 0.00 0.00 61.00 62.62 1xi9 s PRO 331 Cb 0.10 -2.02 -0.06 0.00 0.02 0.00 0.00 34.50 32.53 1xi9 s PRO 331 CO -0.09 -0.80 0.62 0.21 -0.33 0.00 0.00 177.00 176.62 1xi9 s LYS 332 N -3.50 4.31 -0.60 5.54 2.20 0.15 -1.90 119.74 125.95 1xi9 s LYS 332 Ca 0.69 0.83 -0.18 0.00 -0.36 0.00 0.00 55.97 56.95 1xi9 s LYS 332 Cb -0.20 -3.28 0.12 0.00 -1.51 0.00 0.00 37.83 32.96 1xi9 s LYS 332 CO 0.29 0.52 0.65 0.42 -0.36 0.00 0.00 175.35 176.87 1xi9 s ILE 333 N -0.76 5.01 -0.08 5.43 1.01 0.55 -2.78 121.20 129.58 1xi9 s ILE 333 Ca 0.31 -1.29 -0.10 0.00 0.00 0.00 0.00 60.65 59.57 1xi9 s ILE 333 Cb -0.20 -4.44 -0.07 0.00 0.01 0.00 0.00 42.46 37.75 1xi9 s ILE 333 CO 0.20 -1.04 0.38 -0.33 0.00 0.00 0.00 174.94 174.15 1xi9 h GLU 334 N 8.98 -0.17 -6.24 2.79 5.08 -0.74 -3.47 114.58 120.81 1xi9 h GLU 334 Ca -0.26 0.01 -0.58 0.00 -1.00 0.00 0.00 59.36 57.53 1xi9 h GLU 334 Cb 1.09 0.04 -0.18 0.00 0.50 0.00 0.00 28.75 30.19 1xi9 h GLU 334 CO 1.06 0.05 -0.80 0.14 -1.00 0.00 0.00 179.01 178.46 1xi9 s VAL 335 N -2.37 2.06 0.00 3.13 -7.23 -1.22 -5.07 120.40 109.69 1xi9 s VAL 335 Ca -0.06 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1xi9 s VAL 335 Cb -0.00 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 34.98 1xi9 s VAL 335 CO 0.21 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1xi9 n GLY 336 N 0.30 1.79 0.21 2.32 0.00 -1.26 -4.85 105.19 103.71 1xi9 n GLY 336 Ca -0.13 -1.19 0.15 0.00 0.00 0.00 0.00 46.02 44.85 1xi9 n GLY 336 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xi9 h PRO 337 N 0.00 0.00 -6.96 1.61 0.11 -2.01 -3.47 132.00 121.28 1xi9 h PRO 337 Ca 0.00 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.61 1xi9 h PRO 337 Cb 0.00 0.00 0.04 0.00 0.11 0.00 0.00 31.00 31.15 1xi9 h PRO 337 CO 0.00 0.00 0.47 -1.58 -0.21 0.00 0.00 178.00 176.68 1xi9 s TRP 338 N -3.43 3.11 -0.40 0.65 0.51 -1.26 -4.96 118.94 113.16 1xi9 s TRP 338 Ca 0.04 1.59 0.23 0.00 -2.12 0.00 0.00 56.10 55.84 1xi9 s TRP 338 Cb 0.09 -3.29 0.27 0.00 -0.81 0.00 0.00 33.47 29.72 1xi9 s TRP 338 CO 0.54 -1.09 1.50 1.57 -0.51 0.00 0.00 176.95 178.95 1xi9 h LYS 339 N 2.48 0.00 -2.65 4.98 2.10 -1.97 -3.48 116.57 118.03 1xi9 h LYS 339 Ca -0.49 0.00 0.13 0.00 -2.00 0.00 0.00 60.65 58.29 1xi9 h LYS 339 Cb 1.23 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.49 1xi9 h LYS 339 CO 0.62 0.00 0.37 0.54 -2.00 0.00 0.00 179.45 178.98 1xi9 s ASN 340 N -6.04 -0.22 0.45 7.07 2.20 -1.26 -5.07 114.94 112.06 1xi9 s ASN 340 Ca 0.05 -0.49 0.25 0.00 -0.94 0.00 0.00 52.86 51.73 1xi9 s ASN 340 Cb 0.06 0.60 0.79 0.00 -2.00 0.00 0.00 41.25 40.70 1xi9 s ASN 340 CO 0.69 -1.10 1.77 -2.24 -2.94 0.00 0.00 177.10 173.28 1xi9 h ASP 341 N 2.00 0.00 0.13 3.54 3.04 -1.93 -2.71 116.42 120.49 1xi9 h ASP 341 Ca -0.22 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.57 1xi9 h ASP 341 Cb 1.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 1xi9 h ASP 341 CO 0.24 0.16 -0.06 0.50 -2.04 0.00 0.00 179.24 178.04 1xi9 h LYS 342 N 0.00 -0.17 -0.48 4.15 1.63 -1.94 -0.69 116.57 119.07 1xi9 h LYS 342 Ca -0.00 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.88 1xi9 h LYS 342 Cb 0.83 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 32.44 1xi9 h LYS 342 CO 0.02 0.07 0.15 1.49 -3.45 0.00 0.00 179.45 177.73 1xi9 h GLU 343 N -0.39 0.31 -0.23 1.90 4.81 -1.97 -1.54 114.58 117.46 1xi9 h GLU 343 Ca -0.02 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1xi9 h GLU 343 Cb 0.32 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1xi9 h GLU 343 CO 0.03 0.20 -0.01 0.35 -0.73 0.00 0.00 179.01 178.86 1xi9 h PHE 344 N 0.32 -0.02 -0.73 0.92 3.04 -1.42 -2.14 116.94 116.91 1xi9 h PHE 344 Ca 0.23 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.14 1xi9 h PHE 344 Cb 0.25 0.05 -0.03 0.00 2.56 0.00 0.00 35.95 38.78 1xi9 h PHE 344 CO -0.17 -0.04 0.24 0.28 -2.02 0.00 0.00 178.31 176.59 1xi9 h VAL 345 N 0.06 1.26 -0.43 1.41 2.07 -0.63 -1.79 116.25 118.21 1xi9 h VAL 345 Ca 0.11 -0.88 -0.13 0.00 0.82 0.00 0.00 66.70 66.62 1xi9 h VAL 345 Cb 0.15 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1xi9 h VAL 345 CO -0.19 0.35 -0.24 -0.07 0.02 0.00 0.00 177.57 177.43 1xi9 h LEU 346 N 1.08 0.91 -0.43 2.57 3.38 -1.19 -2.08 115.31 119.54 1xi9 h LEU 346 Ca 0.24 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1xi9 h LEU 346 Cb 0.29 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1xi9 h LEU 346 CO -0.01 1.10 -0.02 -0.78 0.09 0.00 0.00 178.44 178.83 1xi9 h ASP 347 N 0.76 0.76 0.08 -0.43 3.58 -1.19 -0.95 116.42 119.03 1xi9 h ASP 347 Ca 0.10 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 57.23 1xi9 h ASP 347 Cb 0.79 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 1xi9 h ASP 347 CO 0.07 0.89 -0.09 0.58 -2.88 0.00 0.00 179.24 177.82 1xi9 h VAL 348 N 0.61 0.80 -0.23 2.25 2.07 -1.29 -1.42 116.25 119.04 1xi9 h VAL 348 Ca 0.12 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.70 1xi9 h VAL 348 Cb 0.51 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 1xi9 h VAL 348 CO 0.03 0.00 -0.23 0.25 0.02 0.00 0.00 177.57 177.63 1xi9 h LEU 349 N -0.19 -0.74 -0.80 2.57 5.85 -1.26 0.35 115.31 121.09 1xi9 h LEU 349 Ca 0.01 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1xi9 h LEU 349 Cb 0.19 0.35 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1xi9 h LEU 349 CO -0.03 -0.27 0.46 -0.74 -0.34 0.00 0.00 178.44 177.52 1xi9 h HIS 350 N -0.24 1.08 0.00 1.25 2.76 -0.91 -1.80 115.15 117.28 1xi9 h HIS 350 Ca 0.13 -0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.17 1xi9 h HIS 350 Cb 0.45 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 1xi9 h HIS 350 CO -0.38 0.73 -1.18 0.09 -1.30 0.00 0.00 177.93 175.90 1xi9 n ASN 351 N -4.44 1.89 0.01 3.26 3.02 -0.56 -4.48 115.26 113.96 1xi9 n ASN 351 Ca 0.08 0.44 0.14 0.00 -0.03 0.00 0.00 54.58 55.21 1xi9 n ASN 351 Cb 0.07 -0.83 0.59 0.00 -0.61 0.00 0.00 39.78 39.00 1xi9 n ASN 351 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xi9 n ALA 352 N -4.00 2.31 -3.83 5.41 0.00 0.12 -4.92 120.51 115.60 1xi9 n ALA 352 Ca -0.22 -0.09 -0.28 0.00 0.00 0.00 0.00 53.44 52.85 1xi9 n ALA 352 Cb 0.53 -1.47 0.04 0.00 0.00 0.00 0.00 19.45 18.56 1xi9 n ALA 352 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xi9 n HIS 353 N -1.58 -2.40 -4.75 0.00 8.25 -0.68 -4.75 115.22 109.32 1xi9 n HIS 353 Ca 0.07 0.93 -0.26 0.00 -0.26 0.00 0.00 57.72 58.19 1xi9 n HIS 353 Cb 0.35 -4.26 -0.17 0.00 1.12 0.00 0.00 29.99 27.04 1xi9 n HIS 353 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xi9 s VAL 354 N -3.34 1.35 -0.36 1.59 1.01 -1.25 -1.03 120.40 118.37 1xi9 s VAL 354 Ca 0.59 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 1xi9 s VAL 354 Cb -0.29 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 34.91 1xi9 s VAL 354 CO 0.81 0.40 0.21 -0.22 0.00 0.00 0.00 175.10 176.29 1xi9 s LEU 355 N 0.48 4.61 0.53 3.92 2.96 0.12 -3.15 118.68 128.15 1xi9 s LEU 355 Ca -0.13 -0.85 0.08 0.00 -0.22 0.00 0.00 54.13 53.01 1xi9 s LEU 355 Cb -0.15 -2.04 0.05 0.00 0.50 0.00 0.00 46.19 44.55 1xi9 s LEU 355 CO 0.04 -0.34 0.62 -0.36 -1.32 0.00 0.00 176.35 175.00 1xi9 s PHE 356 N 1.59 1.76 -0.13 5.38 2.99 -1.26 -0.52 117.98 127.78 1xi9 s PHE 356 Ca 0.03 -0.69 -0.02 0.00 0.00 0.00 0.00 56.93 56.25 1xi9 s PHE 356 Cb -0.19 -2.15 -0.03 0.00 0.00 0.00 0.00 43.02 40.66 1xi9 s PHE 356 CO 0.07 -0.79 -0.06 0.08 -0.00 0.00 0.00 175.22 174.52 1xi9 s VAL 357 N -2.64 3.69 0.30 -0.44 1.01 -0.68 -4.78 120.40 116.86 1xi9 s VAL 357 Ca 0.53 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 1xi9 s VAL 357 Cb -0.05 -2.58 -0.11 0.00 0.00 0.00 0.00 36.38 33.64 1xi9 s VAL 357 CO 0.33 0.52 1.50 -1.38 0.00 0.00 0.00 175.10 176.07 1xi9 s HIS 358 N 0.14 2.82 0.34 5.22 -3.43 -1.26 -0.46 115.29 118.65 1xi9 s HIS 358 Ca -0.03 0.99 0.02 0.00 -0.80 0.00 0.00 55.06 55.24 1xi9 s HIS 358 Cb -0.14 -3.95 0.60 0.00 -1.43 0.00 0.00 32.58 27.66 1xi9 s HIS 358 CO 0.03 -3.04 1.98 0.78 -2.00 0.00 0.00 174.74 172.49 1xi9 h GLY 359 N 4.38 0.87 1.77 -1.38 0.00 -0.81 -1.78 103.07 106.11 1xi9 h GLY 359 Ca -0.48 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1xi9 h GLY 359 CO 0.74 0.35 0.00 -1.14 0.00 0.00 0.00 176.54 176.49 1xi9 n SER 360 N -4.41 0.00 0.00 0.19 3.41 -1.19 -1.31 113.62 110.31 1xi9 n SER 360 Ca 0.06 0.25 0.07 0.00 -0.26 0.00 0.00 58.87 58.99 1xi9 n SER 360 Cb 0.08 -0.38 0.34 0.00 -0.26 0.00 0.00 64.21 63.98 1xi9 n SER 360 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xi9 n GLY 361 N 0.21 -1.01 1.45 5.00 0.00 -0.67 -2.15 105.19 108.02 1xi9 n GLY 361 Ca 0.06 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1xi9 n GLY 361 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xi9 n PHE 362 N -1.48 1.62 -0.13 1.61 3.01 -0.43 -4.54 117.46 117.11 1xi9 n PHE 362 Ca 0.04 -1.81 0.02 0.00 1.01 0.00 0.00 57.45 56.70 1xi9 n PHE 362 Cb 0.18 -0.60 -0.01 0.00 -0.01 0.00 0.00 39.48 39.04 1xi9 n PHE 362 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xi9 n GLY 363 N -1.07 -1.93 0.36 1.37 0.00 -0.91 -1.51 105.19 101.49 1xi9 n GLY 363 Ca 0.39 -1.47 0.18 0.00 0.00 0.00 0.00 46.02 45.13 1xi9 n GLY 363 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1xi9 h GLU 364 N -0.12 0.00 0.00 1.61 9.09 -1.90 0.19 114.58 123.45 1xi9 h GLU 364 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.40 1xi9 h GLU 364 Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.22 1xi9 h GLU 364 CO 0.00 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.72 1xi9 n TYR 365 N -4.14 0.47 1.11 2.06 4.02 -1.26 -2.82 117.16 116.60 1xi9 n TYR 365 Ca 0.06 0.16 0.12 0.00 -0.01 0.00 0.00 57.90 58.22 1xi9 n TYR 365 Cb 0.47 -0.75 0.25 0.00 -0.02 0.00 0.00 39.34 39.28 1xi9 n TYR 365 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xi9 n GLY 366 N 0.84 -0.83 3.77 2.72 0.00 0.66 -4.51 105.19 107.83 1xi9 n GLY 366 Ca 0.05 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1xi9 n GLY 366 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xi9 s ALA 367 N -2.74 3.62 0.00 4.61 0.00 -1.13 -2.39 121.76 123.74 1xi9 s ALA 367 Ca 0.17 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1xi9 s ALA 367 Cb 0.18 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1xi9 s ALA 367 CO 0.63 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1xi9 n GLY 368 N 0.93 0.57 3.38 0.00 0.00 -1.26 -4.91 105.19 103.90 1xi9 n GLY 368 Ca 0.03 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 1xi9 n GLY 368 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xi9 s HIS 369 N -2.00 1.69 0.12 1.61 4.02 -1.00 -0.33 115.29 119.38 1xi9 s HIS 369 Ca 0.00 -1.22 -0.09 0.00 1.02 0.00 0.00 55.06 54.77 1xi9 s HIS 369 Cb 0.00 -1.01 -0.00 0.00 -1.02 0.00 0.00 32.58 30.55 1xi9 s HIS 369 CO 0.00 -0.33 0.22 -0.59 1.02 0.00 0.00 174.74 175.07 1xi9 s PHE 370 N -3.52 0.23 -0.09 1.40 -0.71 -0.80 -0.30 117.98 114.20 1xi9 s PHE 370 Ca 0.34 -0.64 0.00 0.00 -1.04 0.00 0.00 56.93 55.60 1xi9 s PHE 370 Cb 0.06 -0.06 -0.03 0.00 -1.21 0.00 0.00 43.02 41.79 1xi9 s PHE 370 CO 0.15 -0.61 -0.09 0.50 -1.34 0.00 0.00 175.22 173.84 1xi9 s ARG 371 N -3.90 3.01 0.08 1.99 3.52 0.39 -2.31 118.95 121.74 1xi9 s ARG 371 Ca 0.09 -0.59 0.07 0.00 -0.13 0.00 0.00 55.73 55.17 1xi9 s ARG 371 Cb 0.04 -2.63 -0.03 0.00 -1.56 0.00 0.00 34.95 30.77 1xi9 s ARG 371 CO -0.07 0.49 -0.18 0.00 -0.81 0.00 0.00 175.30 174.72 1xi9 s ALA 372 N -0.35 1.56 0.08 6.12 0.00 -0.08 -1.69 121.76 127.41 1xi9 s ALA 372 Ca 0.05 -1.10 -0.10 0.00 0.00 0.00 0.00 51.96 50.80 1xi9 s ALA 372 Cb -0.12 -0.22 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 1xi9 s ALA 372 CO 0.02 0.30 0.41 0.14 0.00 0.00 0.00 175.76 176.64 1xi9 s VAL 373 N -1.08 5.08 -0.31 0.00 -7.23 0.43 -0.76 120.40 116.53 1xi9 s VAL 373 Ca 0.04 0.48 0.09 0.00 -1.81 0.00 0.00 61.98 60.78 1xi9 s VAL 373 Cb -0.09 -3.65 0.59 0.00 0.56 0.00 0.00 36.38 33.78 1xi9 s VAL 373 CO 0.03 0.29 1.61 2.22 -0.31 0.00 0.00 175.10 178.94 1xi9 n PHE 374 N 0.91 1.71 -0.25 2.82 1.16 -0.88 -4.69 117.46 118.25 1xi9 n PHE 374 Ca -0.08 -1.45 -0.02 0.00 -1.87 0.00 0.00 57.45 54.03 1xi9 n PHE 374 Cb 0.52 -0.59 0.17 0.00 -1.61 0.00 0.00 39.48 37.97 1xi9 n PHE 374 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1xi9 h LEU 375 N 1.45 0.96-10.12 5.98 3.38 -1.95 -3.43 115.31 111.58 1xi9 h LEU 375 Ca 0.27 -0.08 -0.54 0.00 0.09 0.00 0.00 57.88 57.62 1xi9 h LEU 375 Cb 1.99 -0.24 0.14 0.00 0.09 0.00 0.00 40.66 42.64 1xi9 h LEU 375 CO 0.57 0.77 0.47 -2.84 0.09 0.00 0.00 178.44 177.51 1xi9 s PRO 376 N -5.70 2.65 0.74 1.13 0.02 -1.26 -4.72 135.00 127.86 1xi9 s PRO 376 Ca -0.11 1.90 -0.16 0.00 0.02 0.00 0.00 61.00 62.64 1xi9 s PRO 376 Cb 0.17 -1.88 -0.01 0.00 0.02 0.00 0.00 34.50 32.80 1xi9 s PRO 376 CO 0.81 -1.47 0.72 -2.30 -0.33 0.00 0.00 177.00 174.42 1xi9 n PRO 377 N -1.94 0.32 -0.31 5.54 -0.02 -1.26 -4.64 135.00 132.69 1xi9 n PRO 377 Ca 0.14 0.16 0.15 0.00 -2.02 0.00 0.00 63.50 61.93 1xi9 n PRO 377 Cb 0.49 -2.01 0.32 0.00 -0.02 0.00 0.00 33.50 32.28 1xi9 n PRO 377 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1xi9 h ILE 378 N -0.45 0.26 -0.61 4.25 1.08 -1.94 -1.16 117.51 118.94 1xi9 h ILE 378 Ca -0.46 -0.06 0.11 0.00 -0.39 0.00 0.00 64.86 64.06 1xi9 h ILE 378 Cb 1.34 0.06 -0.08 0.00 -3.07 0.00 0.00 36.82 35.07 1xi9 h ILE 378 CO 0.44 0.03 0.16 -0.33 -0.69 0.00 0.00 178.15 177.76 1xi9 h GLU 379 N 0.18 0.29 -0.12 2.37 3.07 -1.99 0.42 114.58 118.79 1xi9 h GLU 379 Ca 0.59 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 59.32 1xi9 h GLU 379 Cb 1.23 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 1xi9 h GLU 379 CO -0.69 0.19 -0.34 0.82 -1.40 0.00 0.00 179.01 177.58 1xi9 h ILE 380 N 0.30 1.38 -0.82 3.13 2.04 -1.59 -2.59 117.51 119.34 1xi9 h ILE 380 Ca 0.32 -1.65 0.05 0.00 1.00 0.00 0.00 64.86 64.58 1xi9 h ILE 380 Cb 0.46 2.12 -0.05 0.00 -0.74 0.00 0.00 36.82 38.60 1xi9 h ILE 380 CO -0.38 0.49 0.54 -0.07 0.00 0.00 0.00 178.15 178.73 1xi9 h LEU 381 N 0.03 0.84 0.23 1.44 3.38 -0.78 0.90 115.31 121.36 1xi9 h LEU 381 Ca -0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1xi9 h LEU 381 Cb 0.96 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1xi9 h LEU 381 CO 0.07 0.56 -0.11 -0.08 0.09 0.00 0.00 178.44 178.97 1xi9 h GLU 382 N 0.96 -0.30 -0.29 1.13 4.81 -0.18 0.97 114.58 121.68 1xi9 h GLU 382 Ca 0.34 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.66 1xi9 h GLU 382 Cb 0.13 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.50 1xi9 h GLU 382 CO -0.11 -0.11 -0.26 1.49 -0.73 0.00 0.00 179.01 179.30 1xi9 h GLU 383 N -0.44 -0.23 -0.27 1.92 4.81 -1.04 -1.22 114.58 118.11 1xi9 h GLU 383 Ca -0.03 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1xi9 h GLU 383 Cb 0.33 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.72 1xi9 h GLU 383 CO 0.05 -0.15 0.00 0.00 -0.73 0.00 0.00 179.01 178.18 1xi9 h ALA 384 N 0.82 0.24 -0.06 2.92 0.00 -0.70 -2.76 119.26 119.72 1xi9 h ALA 384 Ca 0.15 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1xi9 h ALA 384 Cb 0.48 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1xi9 h ALA 384 CO -0.43 -0.41 -0.54 0.52 0.00 0.00 0.00 179.25 178.39 1xi9 h MET 385 N 0.09 0.17 0.17 0.00 2.86 -0.58 -2.29 114.93 115.33 1xi9 h MET 385 Ca 0.13 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1xi9 h MET 385 Cb 0.16 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1xi9 h MET 385 CO -0.21 0.66 -0.08 -0.44 1.06 0.00 0.00 176.91 177.90 1xi9 h ASP 386 N 0.13 -0.19 -0.40 1.22 3.32 -1.12 0.16 116.42 119.54 1xi9 h ASP 386 Ca 0.00 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.01 1xi9 h ASP 386 Cb 0.99 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 1xi9 h ASP 386 CO 0.08 -0.07 0.23 0.03 -1.72 0.00 0.00 179.24 177.79 1xi9 h ARG 387 N -0.30 0.45 -0.71 3.56 3.08 -1.44 -1.30 114.38 117.73 1xi9 h ARG 387 Ca -0.02 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1xi9 h ARG 387 Cb 0.23 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1xi9 h ARG 387 CO 0.04 0.30 0.20 0.35 -1.07 0.00 0.00 179.97 179.79 1xi9 h PHE 388 N 0.47 1.14 -0.44 3.04 3.57 -1.38 -0.79 116.94 122.56 1xi9 h PHE 388 Ca 0.16 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1xi9 h PHE 388 Cb 0.02 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.41 1xi9 h PHE 388 CO -0.08 0.91 0.08 1.49 -2.23 0.00 0.00 178.31 178.48 1xi9 h GLU 389 N 1.05 0.72 -0.33 1.11 4.81 -0.75 -0.44 114.58 120.74 1xi9 h GLU 389 Ca 0.23 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1xi9 h GLU 389 Cb 0.32 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 1xi9 h GLU 389 CO -0.00 0.74 0.10 0.87 -0.73 0.00 0.00 179.01 179.99 1xi9 h LYS 390 N 0.58 0.22 -0.64 1.92 1.57 -1.01 -1.27 116.57 117.94 1xi9 h LYS 390 Ca 0.13 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1xi9 h LYS 390 Cb 0.37 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 1xi9 h LYS 390 CO 0.01 0.15 0.41 0.35 -0.57 0.00 0.00 179.45 179.79 1xi9 h PHE 391 N 0.23 0.77 -0.38 -1.35 3.57 -0.96 -0.57 116.94 118.25 1xi9 h PHE 391 Ca 0.15 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 1xi9 h PHE 391 Cb 0.14 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1xi9 h PHE 391 CO -0.15 0.46 -0.02 0.52 -2.23 0.00 0.00 178.31 176.88 1xi9 h MET 392 N 0.82 0.69 -0.25 1.11 2.86 -0.90 -1.46 114.93 117.80 1xi9 h MET 392 Ca 0.25 -0.23 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1xi9 h MET 392 Cb -0.04 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 1xi9 h MET 392 CO -0.08 0.80 0.08 -0.22 1.06 0.00 0.00 176.91 178.56 1xi9 h LYS 393 N 0.50 0.19 -1.00 1.72 3.64 -1.07 -2.59 116.57 117.96 1xi9 h LYS 393 Ca 0.10 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 1xi9 h LYS 393 Cb 0.51 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.22 1xi9 h LYS 393 CO 0.02 0.12 0.64 1.49 -2.27 0.00 0.00 179.45 179.46 1xi9 h GLU 394 N 0.19 1.10 -0.00 1.90 4.81 -0.96 -3.51 114.58 118.11 1xi9 h GLU 394 Ca 0.11 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1xi9 h GLU 394 Cb 0.08 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1xi9 h GLU 394 CO -0.11 0.73 0.00 0.54 -0.73 0.00 0.00 179.01 179.44