#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss9 s ASP 2 N 0.00 5.68 -0.09 3.17 1.11 -1.26 -0.14 116.67 125.14 1ss9 s ASP 2 Ca 0.00 -0.38 -0.03 0.00 0.18 0.00 0.00 52.55 52.32 1ss9 s ASP 2 Cb 0.00 -2.04 -0.03 0.00 1.07 0.00 0.00 42.92 41.92 1ss9 s ASP 2 CO 0.00 -0.16 0.02 -0.63 1.18 0.00 0.00 175.17 175.58 1ss9 s ILE 3 N 1.66 4.50 -0.09 0.77 -1.09 0.66 -1.50 121.20 126.12 1ss9 s ILE 3 Ca 0.06 -0.18 0.04 0.00 -2.23 0.00 0.00 60.65 58.34 1ss9 s ILE 3 Cb -0.17 -2.91 -0.00 0.00 -1.58 0.00 0.00 42.46 37.81 1ss9 s ILE 3 CO 0.08 0.61 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.48 1ss9 s VAL 4 N -0.88 1.92 0.09 2.92 1.01 -0.41 -0.56 120.40 124.49 1ss9 s VAL 4 Ca 0.13 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.23 1ss9 s VAL 4 Cb -0.11 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1ss9 s VAL 4 CO 0.03 0.53 -0.17 -0.36 0.00 0.00 0.00 175.10 175.13 1ss9 s PHE 5 N 0.28 1.45 -0.06 5.22 0.08 -0.79 -0.87 117.98 123.29 1ss9 s PHE 5 Ca -0.15 -0.46 0.02 0.00 0.12 0.00 0.00 56.93 56.46 1ss9 s PHE 5 Cb -0.17 -0.80 0.01 0.00 -0.57 0.00 0.00 43.02 41.50 1ss9 s PHE 5 CO 0.07 0.13 -0.12 0.00 -0.10 0.00 0.00 175.22 175.20 1ss9 s ALA 6 N -1.35 1.24 0.14 5.36 0.00 -1.26 -0.28 121.76 125.61 1ss9 s ALA 6 Ca 0.03 -0.41 -0.24 0.00 0.00 0.00 0.00 51.96 51.33 1ss9 s ALA 6 Cb -0.09 -0.55 0.07 0.00 0.00 0.00 0.00 23.12 22.55 1ss9 s ALA 6 CO 0.03 0.12 0.71 0.00 0.00 0.00 0.00 175.76 176.62 1ss9 s ALA 7 N 0.63 -1.60 0.50 0.00 0.00 -0.62 -4.67 121.76 115.99 1ss9 s ALA 7 Ca -0.14 0.46 0.04 0.00 0.00 0.00 0.00 51.96 52.33 1ss9 s ALA 7 Cb -0.15 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 1ss9 s ALA 7 CO 0.03 -0.81 0.18 0.16 0.00 0.00 0.00 175.76 175.32 1ss9 s ASP 8 N -2.73 4.35 0.32 0.00 1.47 -1.26 -1.55 116.67 117.27 1ss9 s ASP 8 Ca 0.04 -1.38 0.09 0.00 1.18 0.00 0.00 52.55 52.48 1ss9 s ASP 8 Cb -0.02 0.23 0.90 0.00 -0.34 0.00 0.00 42.92 43.69 1ss9 s ASP 8 CO -0.08 -0.85 1.67 -0.78 0.68 0.00 0.00 175.17 175.80 1ss9 h ASP 9 N 1.18 0.34 -0.87 2.11 3.58 -1.82 -1.67 116.42 119.27 1ss9 h ASP 9 Ca -0.41 0.18 0.11 0.00 0.42 0.00 0.00 57.03 57.33 1ss9 h ASP 9 Cb 1.29 0.17 -0.06 0.00 1.72 0.00 0.00 39.33 42.45 1ss9 h ASP 9 CO 0.68 -0.10 0.56 -1.13 -2.88 0.00 0.00 179.24 176.37 1ss9 h ASN 10 N 0.32 0.73 -0.70 2.28 -1.24 -1.96 -2.32 115.58 112.70 1ss9 h ASN 10 Ca 0.65 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.68 1ss9 h ASN 10 Cb 1.37 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 40.30 1ss9 h ASN 10 CO -0.60 0.42 0.00 -1.22 -1.29 0.00 0.00 177.43 174.73 1ss9 n TYR 11 N -4.53 0.96 -0.20 0.67 4.02 -0.64 -4.61 117.16 112.83 1ss9 n TYR 11 Ca 0.15 -0.47 -0.01 0.00 -0.01 0.00 0.00 57.90 57.56 1ss9 n TYR 11 Cb 0.35 -0.01 0.09 0.00 -0.02 0.00 0.00 39.34 39.75 1ss9 n TYR 11 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ss9 h ALA 12 N 4.27 0.77 -0.20 -0.72 0.00 -1.31 0.33 119.26 122.40 1ss9 h ALA 12 Ca 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1ss9 h ALA 12 Cb 0.96 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1ss9 h ALA 12 CO 0.01 -0.13 -0.28 0.00 0.00 0.00 0.00 179.25 178.85 1ss9 h ALA 13 N 1.37 1.16 -0.14 0.00 0.00 -1.82 -2.23 119.26 117.60 1ss9 h ALA 13 Ca 0.29 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 1ss9 h ALA 13 Cb 0.30 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1ss9 h ALA 13 CO -0.25 0.54 -0.78 1.88 0.00 0.00 0.00 179.25 180.64 1ss9 h TYR 14 N 0.34 0.98 -0.80 0.00 0.05 -1.62 -2.75 116.97 113.16 1ss9 h TYR 14 Ca 0.05 -0.44 0.12 0.00 0.05 0.00 0.00 58.73 58.51 1ss9 h TYR 14 Cb 0.67 -0.15 -0.08 0.00 1.01 0.00 0.00 36.73 38.18 1ss9 h TYR 14 CO 0.02 1.26 0.41 1.25 -1.05 0.00 0.00 178.16 180.04 1ss9 h LEU 15 N 0.49 0.51 -0.08 3.88 5.85 -0.06 -1.11 115.31 124.80 1ss9 h LEU 15 Ca -0.05 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1ss9 h LEU 15 Cb 1.40 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 1ss9 h LEU 15 CO 0.16 0.25 -0.10 0.00 -0.34 0.00 0.00 178.44 178.40 1ss9 h VAL 17 N -0.14 1.09 -0.54 0.00 2.07 -1.06 -0.60 116.25 117.07 1ss9 h VAL 17 Ca 0.07 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1ss9 h VAL 17 Cb 0.23 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1ss9 h VAL 17 CO -0.16 0.08 0.25 0.00 0.02 0.00 0.00 177.57 177.76 1ss9 h ALA 18 N 1.03 1.43 -0.29 1.67 0.00 -1.12 -1.84 119.26 120.15 1ss9 h ALA 18 Ca 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1ss9 h ALA 18 Cb 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1ss9 h ALA 18 CO -0.01 0.45 0.05 0.00 0.00 0.00 0.00 179.25 179.73 1ss9 h ALA 19 N 1.52 0.38 -0.51 0.00 0.00 -0.49 -2.88 119.26 117.28 1ss9 h ALA 19 Ca 0.19 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1ss9 h ALA 19 Cb 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ss9 h ALA 19 CO -0.02 0.06 -0.01 -0.22 0.00 0.00 0.00 179.25 179.06 1ss9 h LYS 20 N 0.29 0.87 -0.84 0.00 3.64 -0.75 -2.54 116.57 117.24 1ss9 h LYS 20 Ca 0.09 -0.25 0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1ss9 h LYS 20 Cb 0.33 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 1ss9 h LYS 20 CO 0.00 0.88 0.56 0.66 -2.27 0.00 0.00 179.45 179.28 1ss9 h SER 21 N 0.81 0.91 -0.48 4.20 4.64 -1.26 0.15 113.55 122.51 1ss9 h SER 21 Ca 0.15 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 1ss9 h SER 21 Cb 0.49 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1ss9 h SER 21 CO 0.02 0.63 0.24 0.58 -0.87 0.00 0.00 176.83 177.43 1ss9 h VAL 22 N 1.06 1.19 -0.62 0.95 2.07 -1.24 -2.04 116.25 117.62 1ss9 h VAL 22 Ca 0.33 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1ss9 h VAL 22 Cb 0.01 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1ss9 h VAL 22 CO -0.10 0.21 0.23 -0.33 0.02 0.00 0.00 177.57 177.60 1ss9 h GLU 23 N 0.64 0.93 0.00 1.57 5.08 -1.00 -2.49 114.58 119.31 1ss9 h GLU 23 Ca 0.17 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1ss9 h GLU 23 Cb 0.11 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1ss9 h GLU 23 CO -0.02 0.80 -0.12 0.00 -1.00 0.00 0.00 179.01 178.67 1ss9 h ALA 24 N 1.09 1.57 -0.00 3.43 0.00 -0.73 -1.07 119.26 123.54 1ss9 h ALA 24 Ca 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ss9 h ALA 24 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ss9 h ALA 24 CO -0.01 0.15 -0.20 0.00 0.00 0.00 0.00 179.25 179.18 1ss9 n ALA 25 N -2.41 2.94 -3.20 0.00 0.00 -0.79 -4.29 120.51 112.76 1ss9 n ALA 25 Ca -0.02 -0.32 -0.23 0.00 0.00 0.00 0.00 53.44 52.87 1ss9 n ALA 25 Cb 0.20 -1.24 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 1ss9 n ALA 25 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ss9 n HIS 26 N -0.94 0.35 -0.15 0.00 8.25 -0.41 -3.76 115.22 118.56 1ss9 n HIS 26 Ca 0.12 -3.71 0.15 0.00 -0.26 0.00 0.00 57.72 54.03 1ss9 n HIS 26 Cb 0.31 -0.40 0.51 0.00 1.12 0.00 0.00 29.99 31.54 1ss9 n HIS 26 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1ss9 h PRO 27 N 3.68 0.38 -0.19 -0.41 0.13 -1.73 -2.68 132.00 131.17 1ss9 h PRO 27 Ca 0.09 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1ss9 h PRO 27 Cb 0.87 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1ss9 h PRO 27 CO 0.52 0.25 0.00 -3.47 -0.23 0.00 0.00 178.00 175.08 1ss9 n ASP 28 N -4.47 2.72 -4.61 1.44 2.03 -1.26 -4.99 116.55 107.41 1ss9 n ASP 28 Ca 0.14 -2.25 -0.34 0.00 0.52 0.00 0.00 54.79 52.85 1ss9 n ASP 28 Cb 0.52 -0.22 -0.11 0.00 -0.72 0.00 0.00 41.12 40.59 1ss9 n ASP 28 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1ss9 s THR 29 N -1.44 4.17 -0.47 5.18 2.01 -1.01 -5.05 115.64 119.01 1ss9 s THR 29 Ca 0.19 -0.28 -0.28 0.00 0.31 0.00 0.00 61.69 61.63 1ss9 s THR 29 Cb 0.13 -2.79 0.01 0.00 0.01 0.00 0.00 72.50 69.86 1ss9 s THR 29 CO 0.09 0.55 1.48 -0.70 -0.69 0.00 0.00 174.62 175.35 1ss9 s GLU 30 N -0.32 3.38 -0.33 4.92 2.56 -1.26 -4.86 118.70 122.79 1ss9 s GLU 30 Ca 0.06 0.78 -0.17 0.00 0.00 0.00 0.00 54.97 55.65 1ss9 s GLU 30 Cb -0.12 -4.11 -0.01 0.00 2.00 0.00 0.00 34.13 31.89 1ss9 s GLU 30 CO 0.02 -1.82 0.46 0.42 -0.56 0.00 0.00 175.26 173.78 1ss9 s ILE 31 N 6.07 5.08 -0.35 -3.70 -1.09 -1.26 0.80 121.20 126.75 1ss9 s ILE 31 Ca 0.60 0.34 -0.10 0.00 -2.23 0.00 0.00 60.65 59.26 1ss9 s ILE 31 Cb -0.13 -3.88 0.02 0.00 -1.58 0.00 0.00 42.46 36.88 1ss9 s ILE 31 CO 0.29 -0.11 0.19 -0.13 -1.23 0.00 0.00 174.94 173.95 1ss9 s ARG 32 N 2.25 3.01 -0.10 2.79 0.52 0.80 -4.76 118.95 123.46 1ss9 s ARG 32 Ca 0.17 -0.95 -0.22 0.00 -0.52 0.00 0.00 55.73 54.21 1ss9 s ARG 32 Cb -0.16 -3.67 -0.04 0.00 0.52 0.00 0.00 34.95 31.60 1ss9 s ARG 32 CO 0.12 -0.60 0.63 -0.06 0.02 0.00 0.00 175.30 175.41 1ss9 s PHE 33 N 1.57 3.54 -0.23 -0.53 0.08 0.11 -0.24 117.98 122.28 1ss9 s PHE 33 Ca 0.03 1.11 0.02 0.00 0.12 0.00 0.00 56.93 58.21 1ss9 s PHE 33 Cb -0.18 -2.73 0.05 0.00 -0.57 0.00 0.00 43.02 39.59 1ss9 s PHE 33 CO 0.06 0.08 -0.10 -1.01 -0.10 0.00 0.00 175.22 174.16 1ss9 s HIS 34 N 0.87 2.74 -0.19 0.36 3.76 0.27 -1.40 115.29 121.70 1ss9 s HIS 34 Ca 0.33 -1.91 -0.05 0.00 -0.15 0.00 0.00 55.06 53.28 1ss9 s HIS 34 Cb -0.17 -1.74 -0.03 0.00 1.11 0.00 0.00 32.58 31.75 1ss9 s HIS 34 CO 0.15 -0.81 0.00 0.08 -0.85 0.00 0.00 174.74 173.32 1ss9 s VAL 35 N 1.28 4.08 -0.62 -0.90 1.01 -0.54 -1.88 120.40 122.84 1ss9 s VAL 35 Ca -0.05 -0.28 -0.24 0.00 0.00 0.00 0.00 61.98 61.42 1ss9 s VAL 35 Cb -0.18 -2.83 0.05 0.00 0.00 0.00 0.00 36.38 33.42 1ss9 s VAL 35 CO -0.07 0.45 0.99 -0.76 0.00 0.00 0.00 175.10 175.71 1ss9 s LEU 36 N 0.74 4.12 -0.35 3.92 1.43 0.62 0.13 118.68 129.29 1ss9 s LEU 36 Ca 0.00 -0.64 -0.20 0.00 -1.03 0.00 0.00 54.13 52.26 1ss9 s LEU 36 Cb -0.14 -2.62 -0.00 0.00 0.03 0.00 0.00 46.19 43.46 1ss9 s LEU 36 CO 0.02 -1.39 0.59 -0.62 0.23 0.00 0.00 176.35 175.18 1ss9 s ASP 37 N 3.32 6.39 -0.45 2.29 -1.08 0.14 -1.58 116.67 125.70 1ss9 s ASP 37 Ca 0.27 0.11 0.04 0.00 -0.52 0.00 0.00 52.55 52.45 1ss9 s ASP 37 Cb -0.14 -2.31 0.55 0.00 -1.46 0.00 0.00 42.92 39.56 1ss9 s ASP 37 CO 0.15 -0.55 1.75 0.00 0.52 0.00 0.00 175.17 177.04 1ss9 n ALA 38 N 5.93 5.38 0.00 3.66 0.00 -0.59 -1.32 120.51 133.57 1ss9 n ALA 38 Ca -0.02 -3.21 0.00 0.00 0.00 0.00 0.00 53.44 50.20 1ss9 n ALA 38 Cb 0.49 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1ss9 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ss9 n GLY 39 N -1.04 1.49 3.69 0.00 0.00 -1.26 -4.66 105.19 103.41 1ss9 n GLY 39 Ca 0.52 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 1ss9 n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ss9 s ILE 40 N -1.55 4.81 0.82 -0.61 1.01 -1.26 -3.46 121.20 120.96 1ss9 s ILE 40 Ca 0.00 2.03 -0.11 0.00 0.00 0.00 0.00 60.65 62.57 1ss9 s ILE 40 Cb 0.00 -4.31 0.09 0.00 0.01 0.00 0.00 42.46 38.25 1ss9 s ILE 40 CO 0.00 0.05 1.14 -0.94 0.00 0.00 0.00 174.94 175.20 1ss9 s SER 41 N 1.07 3.74 0.45 3.58 1.04 -1.26 -4.73 113.70 117.59 1ss9 s SER 41 Ca 0.49 2.12 0.11 0.00 0.48 0.00 0.00 55.95 59.15 1ss9 s SER 41 Cb -0.19 -2.56 1.00 0.00 0.10 0.00 0.00 66.02 64.37 1ss9 s SER 41 CO 0.21 -2.56 2.05 -0.08 0.98 0.00 0.00 173.24 173.84 1ss9 h GLU 42 N -1.23 0.23 -0.30 4.02 4.22 -1.99 0.29 114.58 119.83 1ss9 h GLU 42 Ca -0.44 -0.02 -0.10 0.00 0.08 0.00 0.00 59.36 58.87 1ss9 h GLU 42 Cb 1.26 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1ss9 h GLU 42 CO 0.47 0.22 -0.22 0.00 -2.18 0.00 0.00 179.01 177.29 1ss9 h ALA 43 N 1.82 0.43 -0.40 2.92 0.00 -1.99 -1.82 119.26 120.22 1ss9 h ALA 43 Ca 0.06 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 1ss9 h ALA 43 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ss9 h ALA 43 CO -0.00 0.39 -0.23 -0.91 0.00 0.00 0.00 179.25 178.49 1ss9 h ASN 44 N 0.42 0.83 1.19 0.00 2.35 -1.60 -1.47 115.58 117.31 1ss9 h ASN 44 Ca 0.06 -0.31 -0.07 0.00 -0.55 0.00 0.00 56.30 55.43 1ss9 h ASN 44 Cb 0.77 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1ss9 h ASN 44 CO 0.06 1.03 -0.32 0.08 -1.65 0.00 0.00 177.43 176.63 1ss9 h ARG 45 N 0.71 0.00 -0.15 0.81 0.11 -0.98 -2.35 114.38 112.52 1ss9 h ARG 45 Ca 0.09 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.98 1ss9 h ARG 45 Cb 0.76 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.85 1ss9 h ARG 45 CO 0.06 0.32 -0.66 0.00 0.10 0.00 0.00 179.97 179.80 1ss9 h ALA 46 N 1.68 0.29 -0.30 0.08 0.00 -1.05 -2.52 119.26 117.43 1ss9 h ALA 46 Ca -0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 1ss9 h ALA 46 Cb 1.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1ss9 h ALA 46 CO 0.04 0.58 -0.28 0.00 0.00 0.00 0.00 179.25 179.60 1ss9 h ALA 47 N 0.54 0.95 0.96 0.00 0.00 -1.22 -1.88 119.26 118.61 1ss9 h ALA 47 Ca -0.04 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1ss9 h ALA 47 Cb 1.29 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1ss9 h ALA 47 CO 0.14 0.61 -0.46 0.28 0.00 0.00 0.00 179.25 179.81 1ss9 h VAL 48 N 0.54 0.01 -0.74 0.00 2.07 -1.39 -2.68 116.25 114.06 1ss9 h VAL 48 Ca 0.07 -0.05 0.12 0.00 0.82 0.00 0.00 66.70 67.67 1ss9 h VAL 48 Cb 0.75 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 1ss9 h VAL 48 CO 0.06 0.00 0.49 0.00 0.02 0.00 0.00 177.57 178.14 1ss9 h ALA 49 N -1.32 1.99 -0.24 1.67 0.00 -1.47 -0.73 119.26 119.16 1ss9 h ALA 49 Ca -0.13 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1ss9 h ALA 49 Cb 0.99 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1ss9 h ALA 49 CO 0.22 -0.17 0.02 0.00 0.00 0.00 0.00 179.25 179.32 1ss9 h ALA 50 N 1.64 1.59 -0.00 0.00 0.00 -1.12 -0.27 119.26 121.10 1ss9 h ALA 50 Ca 0.35 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ss9 h ALA 50 Cb 0.68 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ss9 h ALA 50 CO -0.12 0.30 -0.04 0.09 0.00 0.00 0.00 179.25 179.48 1ss9 n ASN 51 N -4.36 0.17 -4.29 0.00 3.02 -0.28 -4.73 115.26 104.79 1ss9 n ASN 51 Ca 0.01 -0.35 -0.18 0.00 -0.03 0.00 0.00 54.58 54.02 1ss9 n ASN 51 Cb 0.18 -0.19 0.03 0.00 -0.61 0.00 0.00 39.78 39.19 1ss9 n ASN 51 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ss9 n LEU 52 N -1.15 0.00 -4.77 3.41 4.77 -1.03 -4.65 117.00 113.57 1ss9 n LEU 52 Ca 0.15 -2.12 -0.35 0.00 -0.03 0.00 0.00 56.01 53.66 1ss9 n LEU 52 Cb 0.25 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1ss9 n LEU 52 CO 0.23 -0.59 0.79 -0.13 -1.33 0.00 0.00 177.39 176.36 1ss9 s ARG 53 N -3.94 3.17 -1.47 3.23 0.52 -1.26 -3.36 118.95 115.85 1ss9 s ARG 53 Ca 0.37 1.65 0.00 0.00 -0.52 0.00 0.00 55.73 57.23 1ss9 s ARG 53 Cb -0.03 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.46 1ss9 s ARG 53 CO 0.23 -1.00 0.00 0.41 0.02 0.00 0.00 175.30 174.96 1ss9 n GLY 54 N 0.19 1.17 2.44 -3.53 0.00 -1.26 -1.60 105.19 102.61 1ss9 n GLY 54 Ca 0.12 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 1ss9 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ss9 n GLY 55 N -1.18 0.37 0.76 -0.02 0.00 -1.21 -1.89 105.19 102.01 1ss9 n GLY 55 Ca -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1ss9 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ss9 n GLY 56 N -0.85 1.13 0.14 -0.02 0.00 -0.14 -4.32 105.19 101.12 1ss9 n GLY 56 Ca -0.22 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 1ss9 n GLY 56 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ss9 h GLY 57 N 0.00 0.30 -5.07 -0.02 0.00 -1.01 -3.34 103.07 93.92 1ss9 h GLY 57 Ca 0.00 -0.50 -0.74 0.00 0.00 0.00 0.00 47.33 46.08 1ss9 h GLY 57 CO 0.00 0.45 0.77 0.70 0.00 0.00 0.00 176.54 178.45 1ss9 n ASN 58 N -3.72 7.04 -3.69 0.19 3.02 -1.26 -4.91 115.26 111.93 1ss9 n ASN 58 Ca -0.04 -3.80 -0.10 0.00 -0.03 0.00 0.00 54.58 50.60 1ss9 n ASN 58 Cb 0.78 -0.98 -0.11 0.00 -0.61 0.00 0.00 39.78 38.86 1ss9 n ASN 58 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1ss9 s ILE 59 N -5.05 -0.06 -0.07 2.41 2.07 -1.26 0.06 121.20 119.30 1ss9 s ILE 59 Ca 0.50 0.10 0.02 0.00 -1.41 0.00 0.00 60.65 59.86 1ss9 s ILE 59 Cb 0.40 -0.60 0.01 0.00 0.13 0.00 0.00 42.46 42.40 1ss9 s ILE 59 CO -0.35 0.04 -0.14 -0.60 -1.91 0.00 0.00 174.94 171.98 1ss9 s ARG 60 N 1.47 1.91 -0.18 3.50 3.52 -0.49 -4.99 118.95 123.69 1ss9 s ARG 60 Ca -0.09 -0.48 -0.18 0.00 -0.13 0.00 0.00 55.73 54.85 1ss9 s ARG 60 Cb -0.09 -1.56 -0.03 0.00 -1.56 0.00 0.00 34.95 31.71 1ss9 s ARG 60 CO -0.13 0.04 0.50 -0.06 -0.81 0.00 0.00 175.30 174.84 1ss9 s PHE 61 N 0.65 3.40 -0.28 5.12 0.40 -1.26 -1.47 117.98 124.54 1ss9 s PHE 61 Ca -0.15 0.78 -0.09 0.00 -0.60 0.00 0.00 56.93 56.88 1ss9 s PHE 61 Cb -0.16 -2.63 -0.02 0.00 0.51 0.00 0.00 43.02 40.71 1ss9 s PHE 61 CO 0.04 -0.04 0.13 0.42 0.70 0.00 0.00 175.22 176.47 1ss9 s ILE 62 N 1.40 4.64 0.25 0.64 1.01 0.34 -4.92 121.20 124.56 1ss9 s ILE 62 Ca 0.24 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.38 1ss9 s ILE 62 Cb -0.15 -3.27 -0.09 0.00 0.01 0.00 0.00 42.46 38.95 1ss9 s ILE 62 CO 0.10 0.20 1.29 -1.81 0.00 0.00 0.00 174.94 174.71 1ss9 s ASP 63 N 1.64 6.89 0.08 3.58 1.01 -1.26 0.28 116.67 128.89 1ss9 s ASP 63 Ca 0.06 2.48 0.02 0.00 0.71 0.00 0.00 52.55 55.82 1ss9 s ASP 63 Cb -0.16 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.11 1ss9 s ASP 63 CO 0.06 -0.49 -0.08 0.68 0.21 0.00 0.00 175.17 175.55 1ss9 s VAL 64 N -0.41 0.69 -0.39 -1.27 -7.23 -0.44 -4.85 120.40 106.51 1ss9 s VAL 64 Ca 0.53 -1.56 -0.13 0.00 -1.81 0.00 0.00 61.98 59.00 1ss9 s VAL 64 Cb -0.37 -1.23 0.02 0.00 0.56 0.00 0.00 36.38 35.36 1ss9 s VAL 64 CO 0.43 -0.63 0.26 0.21 -0.31 0.00 0.00 175.10 175.06 1ss9 s ASN 65 N -2.39 5.97 0.51 4.85 3.84 -1.26 -4.50 114.94 121.96 1ss9 s ASN 65 Ca 0.03 -0.85 0.19 0.00 0.21 0.00 0.00 52.86 52.44 1ss9 s ASN 65 Cb -0.02 -2.11 1.31 0.00 -0.55 0.00 0.00 41.25 39.88 1ss9 s ASN 65 CO -0.02 -0.39 2.12 1.55 -2.79 0.00 0.00 177.10 177.57 1ss9 h PRO 66 N 8.54 0.00 0.00 0.43 0.13 -1.93 -1.10 132.00 138.07 1ss9 h PRO 66 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1ss9 h PRO 66 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1ss9 h PRO 66 CO 0.69 0.06 0.00 1.49 -0.23 0.00 0.00 178.00 180.02 1ss9 h GLU 67 N 0.00 0.00 0.00 0.86 4.57 -1.98 -2.33 114.58 115.69 1ss9 h GLU 67 Ca -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1ss9 h GLU 67 Cb 0.12 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1ss9 h GLU 67 CO 0.01 0.00 -0.11 -0.44 -1.18 0.00 0.00 179.01 177.28 1ss9 h ASP 68 N 0.00 0.00 -0.41 1.04 3.45 -1.62 -2.71 116.42 116.18 1ss9 h ASP 68 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1ss9 h ASP 68 Cb 0.08 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.85 1ss9 h ASP 68 CO 0.00 0.11 0.00 0.49 -1.57 0.00 0.00 179.24 178.27 1ss9 n PHE 69 N -4.13 0.54 -0.12 4.55 3.01 -0.88 -4.70 117.46 115.74 1ss9 n PHE 69 Ca -0.02 -0.49 0.26 0.00 1.01 0.00 0.00 57.45 58.21 1ss9 n PHE 69 Cb 0.20 -0.02 0.58 0.00 -0.01 0.00 0.00 39.48 40.22 1ss9 n PHE 69 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ss9 h ALA 70 N 2.41 2.67 -0.00 4.37 0.00 -1.56 0.29 119.26 127.44 1ss9 h ALA 70 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ss9 h ALA 70 Cb 0.77 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ss9 h ALA 70 CO 0.00 -1.35 -0.43 0.41 0.00 0.00 0.00 179.25 177.89 1ss9 n GLY 71 N -1.64 -1.28 3.75 0.00 0.00 -1.26 -4.91 105.19 99.86 1ss9 n GLY 71 Ca 0.18 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1ss9 n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ss9 s PHE 72 N -2.99 3.98 0.33 1.61 2.99 0.10 -5.01 117.98 118.99 1ss9 s PHE 72 Ca 0.12 1.90 -0.29 0.00 0.00 0.00 0.00 56.93 58.65 1ss9 s PHE 72 Cb 0.18 -2.97 -0.12 0.00 0.00 0.00 0.00 43.02 40.11 1ss9 s PHE 72 CO 0.67 0.46 1.41 -0.35 -0.00 0.00 0.00 175.22 177.42 1ss9 n PRO 73 N 1.52 2.35 -3.04 0.24 -0.04 -1.26 -4.96 135.00 129.81 1ss9 n PRO 73 Ca -0.02 0.83 -0.22 0.00 -0.04 0.00 0.00 63.50 64.05 1ss9 n PRO 73 Cb 0.47 -2.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.41 1ss9 n PRO 73 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1ss9 n LEU 74 N 1.16 2.63 0.02 1.53 0.00 -1.26 -4.84 117.00 116.23 1ss9 n LEU 74 Ca 0.06 -5.28 -0.14 0.00 0.00 0.00 0.00 56.01 50.64 1ss9 n LEU 74 Cb 0.36 0.10 -0.03 0.00 0.00 0.00 0.00 43.42 43.85 1ss9 n LEU 74 CO 0.63 2.30 0.29 -0.55 0.00 0.00 0.00 177.39 180.06 1ss9 h ASN 75 N 2.98 0.72 -3.05 1.96 -1.07 -1.94 -3.42 115.58 111.77 1ss9 h ASN 75 Ca 0.11 -0.49 -0.56 0.00 0.07 0.00 0.00 56.30 55.44 1ss9 h ASN 75 Cb 0.76 -0.21 -0.06 0.00 -2.07 0.00 0.00 38.32 36.74 1ss9 h ASN 75 CO 0.66 1.26 1.09 -0.63 0.07 0.00 0.00 177.43 179.87 1ss9 s ILE 76 N -3.65 3.85 0.21 6.14 1.01 -1.26 -4.93 121.20 122.57 1ss9 s ILE 76 Ca -0.08 0.79 -0.15 0.00 0.00 0.00 0.00 60.65 61.21 1ss9 s ILE 76 Cb 0.09 -4.33 0.22 0.00 0.01 0.00 0.00 42.46 38.45 1ss9 s ILE 76 CO 0.88 -0.98 1.61 -0.09 0.00 0.00 0.00 174.94 176.36 1ss9 h ARG 77 N 10.92 -0.05 0.00 2.79 2.43 -2.04 -2.33 114.38 126.09 1ss9 h ARG 77 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1ss9 h ARG 77 Cb 1.10 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1ss9 h ARG 77 CO 1.14 -0.04 0.00 -2.39 -1.51 0.00 0.00 179.97 177.17 1ss9 n HIS 78 N -5.45 0.00 -4.71 2.20 1.44 -1.26 -4.69 115.22 102.75 1ss9 n HIS 78 Ca 0.07 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.45 1ss9 n HIS 78 Cb 0.35 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.34 1ss9 n HIS 78 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1ss9 s ILE 79 N -2.00 3.39 0.43 0.61 1.01 -0.88 -5.11 121.20 118.65 1ss9 s ILE 79 Ca 0.25 -0.58 0.08 0.00 0.00 0.00 0.00 60.65 60.40 1ss9 s ILE 79 Cb 0.11 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 40.19 1ss9 s ILE 79 CO 0.19 0.56 0.51 -0.94 0.00 0.00 0.00 174.94 175.26 1ss9 s SER 80 N -0.35 5.41 0.61 3.58 1.04 -1.26 -4.87 113.70 117.85 1ss9 s SER 80 Ca 0.04 -0.56 0.29 0.00 0.48 0.00 0.00 55.95 56.19 1ss9 s SER 80 Cb -0.12 -0.58 1.51 0.00 0.10 0.00 0.00 66.02 66.92 1ss9 s SER 80 CO 0.02 -0.75 1.90 -0.29 0.98 0.00 0.00 173.24 175.11 1ss9 h ILE 81 N 0.77 0.27 0.00 -1.02 6.09 -1.98 -0.45 117.51 121.18 1ss9 h ILE 81 Ca -0.40 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.09 1ss9 h ILE 81 Cb 1.28 0.63 0.00 0.00 0.47 0.00 0.00 36.82 39.20 1ss9 h ILE 81 CO 0.50 0.00 0.05 0.74 -3.07 0.00 0.00 178.15 176.36 1ss9 h THR 82 N 0.00 0.00 0.00 2.19 2.02 -1.93 -2.13 112.91 113.05 1ss9 h THR 82 Ca 0.15 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 1ss9 h THR 82 Cb 1.01 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1ss9 h THR 82 CO -0.00 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.87 1ss9 h THR 83 N 0.00 0.17 -0.02 3.16 1.03 -1.46 -2.38 112.91 113.42 1ss9 h THR 83 Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 66.41 66.28 1ss9 h THR 83 Cb 0.09 1.10 0.00 0.00 -1.07 0.00 0.00 68.15 68.27 1ss9 h THR 83 CO 0.00 0.01 -0.03 -1.22 -0.01 0.00 0.00 175.52 174.28 1ss9 n TYR 84 N -3.30 0.00 0.09 0.00 4.02 -0.80 -4.30 117.16 112.87 1ss9 n TYR 84 Ca -0.02 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.87 1ss9 n TYR 84 Cb 0.12 -0.01 0.33 0.00 -0.02 0.00 0.00 39.34 39.76 1ss9 n TYR 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ss9 h ALA 85 N 4.39 1.37 -0.05 -0.72 0.00 -1.61 -2.54 119.26 120.11 1ss9 h ALA 85 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1ss9 h ALA 85 Cb 0.63 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ss9 h ALA 85 CO 0.00 0.43 0.15 0.07 0.00 0.00 0.00 179.25 179.90 1ss9 h ARG 86 N 0.27 0.00 0.00 0.00 0.11 -1.79 -0.64 114.38 112.33 1ss9 h ARG 86 Ca 0.05 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.12 1ss9 h ARG 86 Cb 0.49 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.56 1ss9 h ARG 86 CO 0.03 0.00 -0.06 -0.07 0.10 0.00 0.00 179.97 179.97 1ss9 h LEU 87 N 0.00 0.00 -3.68 0.08 3.38 -1.77 -2.30 115.31 111.02 1ss9 h LEU 87 Ca 0.02 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.67 1ss9 h LEU 87 Cb 0.32 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.88 1ss9 h LEU 87 CO -0.00 0.06 0.29 0.29 0.09 0.00 0.00 178.44 179.17 1ss9 n LYS 88 N -3.50 2.36 -0.08 1.13 5.02 -0.25 -4.13 118.16 118.72 1ss9 n LYS 88 Ca -0.02 -3.08 -0.07 0.00 -2.02 0.00 0.00 58.31 53.12 1ss9 n LYS 88 Cb 0.18 -2.03 -0.01 0.00 -0.02 0.00 0.00 35.03 33.15 1ss9 n LYS 88 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1ss9 h LEU 89 N 1.30 -0.37 -2.06 -0.35 -0.00 -1.54 -0.31 115.31 111.97 1ss9 h LEU 89 Ca 0.40 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 58.38 1ss9 h LEU 89 Cb 2.27 0.22 0.00 0.00 -0.00 0.00 0.00 40.66 43.16 1ss9 h LEU 89 CO 0.74 -0.14 0.22 1.23 -0.00 0.00 0.00 178.44 180.49 1ss9 h GLY 90 N -0.05 0.00 0.16 0.83 0.00 -1.86 -1.79 103.07 100.36 1ss9 h GLY 90 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.12 1ss9 h GLY 90 CO -0.33 0.00 -2.28 1.18 0.00 0.00 0.00 176.54 175.10 1ss9 n GLU 91 N -2.78 0.68 0.09 4.80 1.02 -0.22 -4.51 120.64 119.72 1ss9 n GLU 91 Ca -0.02 0.05 0.12 0.00 -0.02 0.00 0.00 57.16 57.29 1ss9 n GLU 91 Cb 0.27 -1.56 0.20 0.00 -0.02 0.00 0.00 31.44 30.32 1ss9 n GLU 91 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1ss9 h TYR 92 N 0.00 0.00 -3.31 -0.32 0.05 -0.46 -3.45 116.97 109.48 1ss9 h TYR 92 Ca -0.51 0.00 -0.46 0.00 0.05 0.00 0.00 58.73 57.81 1ss9 h TYR 92 Cb 2.20 0.00 -0.36 0.00 1.01 0.00 0.00 36.73 39.58 1ss9 h TYR 92 CO 0.00 0.00 -0.78 0.42 -1.05 0.00 0.00 178.16 176.75 1ss9 s ILE 93 N -3.18 0.69 -0.14 -2.88 1.01 -0.93 -5.01 121.20 110.76 1ss9 s ILE 93 Ca 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.59 1ss9 s ILE 93 Cb 0.12 -0.75 -0.09 0.00 0.01 0.00 0.00 42.46 41.75 1ss9 s ILE 93 CO 0.70 0.29 -0.13 0.00 0.00 0.00 0.00 174.94 175.80 1ss9 n ALA 94 N 4.64 1.71 0.40 9.38 0.00 -1.26 -4.68 120.51 130.71 1ss9 n ALA 94 Ca -0.15 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1ss9 n ALA 94 Cb 0.50 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1ss9 n ALA 94 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ss9 n ASP 95 N -2.96 0.43 -3.84 0.00 3.85 -1.26 -4.72 116.55 108.04 1ss9 n ASP 95 Ca -0.25 -0.81 -0.12 0.00 -0.71 0.00 0.00 54.79 52.90 1ss9 n ASP 95 Cb 0.76 -0.20 -0.11 0.00 -1.35 0.00 0.00 41.12 40.22 1ss9 n ASP 95 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1ss9 n ASP 97 N 2.37 1.20 -3.65 0.00 10.43 -1.26 -4.46 116.55 121.19 1ss9 n ASP 97 Ca -0.17 -1.10 -0.10 0.00 2.57 0.00 0.00 54.79 55.99 1ss9 n ASP 97 Cb 0.58 0.86 -0.08 0.00 1.84 0.00 0.00 41.12 44.32 1ss9 n ASP 97 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 1ss9 s LYS 98 N -2.73 0.71 0.08 -1.24 2.20 -1.26 -1.85 119.74 115.65 1ss9 s LYS 98 Ca 0.10 1.07 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 1ss9 s LYS 98 Cb 0.15 0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.65 1ss9 s LYS 98 CO 0.74 -0.13 -0.04 0.14 -0.36 0.00 0.00 175.35 175.70 1ss9 s VAL 99 N 1.10 0.41 -0.32 4.02 -7.23 -1.08 -4.70 120.40 112.61 1ss9 s VAL 99 Ca -0.06 -1.87 -0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1ss9 s VAL 99 Cb -0.05 -1.65 0.07 0.00 0.56 0.00 0.00 36.38 35.31 1ss9 s VAL 99 CO -0.11 -0.89 0.02 -0.22 -0.31 0.00 0.00 175.10 173.59 1ss9 s LEU 100 N -2.99 4.18 0.02 1.32 2.96 -0.56 -1.11 118.68 122.50 1ss9 s LEU 100 Ca 0.11 -1.55 -0.29 0.00 -0.22 0.00 0.00 54.13 52.18 1ss9 s LEU 100 Cb 0.07 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 1ss9 s LEU 100 CO -0.07 -0.32 0.93 -0.47 -1.32 0.00 0.00 176.35 175.10 1ss9 s TYR 101 N 1.16 3.69 -0.02 5.38 5.04 0.41 -1.28 117.35 131.72 1ss9 s TYR 101 Ca -0.01 1.65 0.05 0.00 -2.44 0.00 0.00 57.07 56.32 1ss9 s TYR 101 Cb -0.20 -3.04 -0.01 0.00 0.35 0.00 0.00 41.96 39.05 1ss9 s TYR 101 CO -0.03 0.08 -0.16 -0.51 -1.34 0.00 0.00 175.55 173.58 1ss9 s LEU 102 N 0.66 1.99 0.55 6.97 1.43 -0.05 0.33 118.68 130.56 1ss9 s LEU 102 Ca 0.48 -0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 53.10 1ss9 s LEU 102 Cb -0.21 -0.87 -0.05 0.00 0.03 0.00 0.00 46.19 45.08 1ss9 s LEU 102 CO 0.27 0.19 1.05 -1.81 0.23 0.00 0.00 176.35 176.27 1ss9 s ASP 103 N -0.26 6.00 0.30 2.29 -0.00 0.80 -4.39 116.67 121.41 1ss9 s ASP 103 Ca 0.03 1.85 -0.01 0.00 -0.00 0.00 0.00 52.55 54.42 1ss9 s ASP 103 Cb -0.08 -2.54 0.44 0.00 -0.00 0.00 0.00 42.92 40.74 1ss9 s ASP 103 CO 0.00 -1.01 1.92 0.40 -0.00 0.00 0.00 175.17 176.48 1ss9 h ILE 104 N 0.85 1.21 0.00 0.77 1.08 -1.91 -3.05 117.51 116.47 1ss9 h ILE 104 Ca -0.48 -0.52 0.00 0.00 -0.39 0.00 0.00 64.86 63.47 1ss9 h ILE 104 Cb 1.22 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 35.22 1ss9 h ILE 104 CO 0.58 0.23 0.00 -0.90 -0.69 0.00 0.00 178.15 177.38 1ss9 n ASP 105 N -4.37 3.37 -4.77 1.72 5.75 -1.26 -4.65 116.55 112.34 1ss9 n ASP 105 Ca 0.07 -1.95 -0.22 0.00 -0.01 0.00 0.00 54.79 52.68 1ss9 n ASP 105 Cb 0.10 -0.63 -0.05 0.00 -1.03 0.00 0.00 41.12 39.50 1ss9 n ASP 105 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1ss9 s VAL 106 N 0.13 3.72 -0.27 2.12 -7.23 -1.15 -1.83 120.40 115.89 1ss9 s VAL 106 Ca 0.00 -1.57 -0.04 0.00 -1.81 0.00 0.00 61.98 58.56 1ss9 s VAL 106 Cb 0.00 -3.14 0.10 0.00 0.56 0.00 0.00 36.38 33.90 1ss9 s VAL 106 CO 0.00 -0.28 0.14 -0.22 -0.31 0.00 0.00 175.10 174.43 1ss9 s LEU 107 N -3.84 0.41 -0.43 1.32 2.96 0.53 -4.62 118.68 115.01 1ss9 s LEU 107 Ca 0.35 -1.09 -0.29 0.00 -0.22 0.00 0.00 54.13 52.88 1ss9 s LEU 107 Cb -0.06 -0.22 0.01 0.00 0.50 0.00 0.00 46.19 46.42 1ss9 s LEU 107 CO 0.24 -0.42 1.38 -0.69 -1.32 0.00 0.00 176.35 175.54 1ss9 s VAL 108 N 2.14 3.93 -0.33 1.68 1.01 -1.26 -0.93 120.40 126.64 1ss9 s VAL 108 Ca 0.08 0.95 0.22 0.00 0.00 0.00 0.00 61.98 63.23 1ss9 s VAL 108 Cb -0.16 -4.26 -0.21 0.00 0.00 0.00 0.00 36.38 31.75 1ss9 s VAL 108 CO -0.31 -0.81 0.77 0.54 0.00 0.00 0.00 175.10 175.28 1ss9 n ARG 109 N 8.08 0.47 -3.82 2.72 1.74 0.17 -4.55 116.66 121.47 1ss9 n ARG 109 Ca 0.16 -0.07 -0.09 0.00 -0.77 0.00 0.00 57.85 57.07 1ss9 n ARG 109 Cb 0.48 -1.59 -0.07 0.00 -1.02 0.00 0.00 32.46 30.26 1ss9 n ARG 109 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ss9 s ASP 110 N -4.31 0.04 0.23 0.55 2.15 -0.90 -4.90 116.67 109.53 1ss9 s ASP 110 Ca -0.02 -0.52 -0.19 0.00 0.43 0.00 0.00 52.55 52.25 1ss9 s ASP 110 Cb 0.14 0.35 -0.13 0.00 -0.30 0.00 0.00 42.92 42.98 1ss9 s ASP 110 CO 0.86 -0.70 0.24 -0.24 -0.17 0.00 0.00 175.17 175.15 1ss9 n SER 111 N 0.10 -1.58 -0.29 -0.34 2.88 -1.25 -4.81 113.62 108.34 1ss9 n SER 111 Ca -0.16 0.76 0.04 0.00 -1.33 0.00 0.00 58.87 58.18 1ss9 n SER 111 Cb 0.62 -0.71 0.02 0.00 -0.75 0.00 0.00 64.21 63.39 1ss9 n SER 111 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ss9 n LEU 112 N 1.68 1.48 0.09 2.46 4.32 -1.26 -4.66 117.00 121.11 1ss9 n LEU 112 Ca 0.11 -0.89 0.05 0.00 -0.02 0.00 0.00 56.01 55.26 1ss9 n LEU 112 Cb 0.25 0.00 0.48 0.00 -1.62 0.00 0.00 43.42 42.53 1ss9 n LEU 112 CO 0.43 0.29 1.09 0.71 -1.22 0.00 0.00 177.39 178.69 1ss9 h THR 113 N 1.44 1.09 -0.26 -5.08 1.35 -1.97 0.15 112.91 109.63 1ss9 h THR 113 Ca 0.00 -0.24 -0.07 0.00 -0.55 0.00 0.00 66.41 65.55 1ss9 h THR 113 Cb 0.35 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 67.51 1ss9 h THR 113 CO 0.00 0.10 -0.12 -0.65 -0.25 0.00 0.00 175.52 174.60 1ss9 h PRO 114 N 0.35 0.43 0.01 4.72 0.11 -1.98 0.88 132.00 136.51 1ss9 h PRO 114 Ca 0.09 -0.12 -0.18 0.00 0.11 0.00 0.00 66.00 65.91 1ss9 h PRO 114 Cb 0.03 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.11 1ss9 h PRO 114 CO -0.01 0.55 -0.69 1.25 -0.21 0.00 0.00 178.00 178.89 1ss9 h LEU 115 N 0.40 0.59 0.00 2.35 5.85 -1.68 -3.28 115.31 119.53 1ss9 h LEU 115 Ca 0.08 -0.77 0.00 0.00 0.84 0.00 0.00 57.88 58.03 1ss9 h LEU 115 Cb 0.46 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1ss9 h LEU 115 CO 0.03 1.29 -0.03 -0.25 -0.34 0.00 0.00 178.44 179.14 1ss9 h TRP 116 N -0.05 -0.06 0.00 1.25 2.91 -0.39 -2.26 115.95 117.34 1ss9 h TRP 116 Ca -0.09 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.93 1ss9 h TRP 116 Cb 1.40 0.03 0.00 0.00 -0.51 0.00 0.00 29.16 30.08 1ss9 h TRP 116 CO 0.14 -0.04 0.00 -0.25 -1.03 0.00 0.00 178.44 177.26 1ss9 n ASP 117 N -5.13 0.00 -4.77 2.65 8.00 0.30 -4.76 116.55 112.84 1ss9 n ASP 117 Ca -0.07 -0.15 -0.40 0.00 0.71 0.00 0.00 54.79 54.88 1ss9 n ASP 117 Cb 0.06 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.16 1ss9 n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ss9 s THR 118 N -2.00 2.35 -0.46 -3.53 2.01 -0.85 -4.95 115.64 108.21 1ss9 s THR 118 Ca 0.06 0.34 -0.16 0.00 0.31 0.00 0.00 61.69 62.25 1ss9 s THR 118 Cb 0.03 -3.21 0.06 0.00 0.01 0.00 0.00 72.50 69.38 1ss9 s THR 118 CO 0.05 0.07 0.40 -0.62 -0.69 0.00 0.00 174.62 173.84 1ss9 s ASP 119 N -0.39 6.15 0.00 3.53 2.15 -1.26 -4.92 116.67 121.93 1ss9 s ASP 119 Ca 0.53 -1.14 0.15 0.00 0.43 0.00 0.00 52.55 52.52 1ss9 s ASP 119 Cb -0.43 -2.19 0.88 0.00 -0.30 0.00 0.00 42.92 40.88 1ss9 s ASP 119 CO 0.57 -0.63 1.51 0.18 -0.17 0.00 0.00 175.17 176.63 1ss9 n LEU 120 N 5.33 0.00 0.00 -1.34 4.77 -1.26 -4.96 117.00 119.54 1ss9 n LEU 120 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1ss9 n LEU 120 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1ss9 n LEU 120 CO 0.47 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1ss9 n GLY 121 N 0.63 3.00 1.51 -0.72 0.00 -1.26 0.01 105.19 108.35 1ss9 n GLY 121 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 1ss9 n GLY 121 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ss9 n ASP 122 N 2.89 4.69 -4.84 1.61 2.03 -1.26 -4.98 116.55 116.69 1ss9 n ASP 122 Ca 0.00 -2.51 -0.30 0.00 0.52 0.00 0.00 54.79 52.49 1ss9 n ASP 122 Cb 0.00 -0.57 0.06 0.00 -0.72 0.00 0.00 41.12 39.89 1ss9 n ASP 122 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1ss9 s ASN 123 N -0.99 5.19 0.12 1.67 -0.87 0.10 -4.99 114.94 115.17 1ss9 s ASN 123 Ca 0.49 1.35 -0.13 0.00 -1.57 0.00 0.00 52.86 53.00 1ss9 s ASN 123 Cb 0.33 -2.18 -0.06 0.00 -0.02 0.00 0.00 41.25 39.32 1ss9 s ASN 123 CO 0.22 -1.53 1.45 -0.50 -2.57 0.00 0.00 177.10 174.17 1ss9 h TRP 124 N -0.78 1.00 -2.46 2.20 4.06 -1.68 -3.44 115.95 114.86 1ss9 h TRP 124 Ca -0.45 -0.31 0.16 0.00 2.06 0.00 0.00 58.89 60.35 1ss9 h TRP 124 Cb 1.24 -0.21 -0.05 0.00 -1.00 0.00 0.00 29.16 29.14 1ss9 h TRP 124 CO 0.54 1.10 0.54 -0.48 -3.56 0.00 0.00 178.44 176.58 1ss9 s LEU 125 N -8.91 -0.06 -0.05 -4.49 2.34 -1.26 -2.28 118.68 103.97 1ss9 s LEU 125 Ca -0.12 -0.59 0.06 0.00 0.06 0.00 0.00 54.13 53.54 1ss9 s LEU 125 Cb 0.10 2.13 -0.01 0.00 -0.56 0.00 0.00 46.19 47.85 1ss9 s LEU 125 CO 0.86 -0.98 -0.23 -0.83 -1.06 0.00 0.00 176.35 174.11 1ss9 s GLY 126 N -3.22 1.21 0.24 -3.48 0.00 0.59 -1.01 107.32 101.65 1ss9 s GLY 126 Ca 0.18 -0.97 -0.16 0.00 0.00 0.00 0.00 44.72 43.77 1ss9 s GLY 126 CO 0.04 -0.60 0.55 0.00 0.00 0.00 0.00 173.10 173.10 1ss9 s ALA 127 N -0.14 -0.69 -0.03 3.20 0.00 -0.22 -1.33 121.76 122.55 1ss9 s ALA 127 Ca -0.03 -0.54 -0.07 0.00 0.00 0.00 0.00 51.96 51.32 1ss9 s ALA 127 Cb -0.13 0.94 -0.05 0.00 0.00 0.00 0.00 23.12 23.89 1ss9 s ALA 127 CO 0.03 -0.88 0.24 0.00 0.00 0.00 0.00 175.76 175.15 1ss9 s ILE 129 N -1.22 2.82 -0.34 0.00 1.01 -1.26 -1.36 121.20 120.85 1ss9 s ILE 129 Ca 0.24 0.65 -0.11 0.00 0.00 0.00 0.00 60.65 61.44 1ss9 s ILE 129 Cb -0.13 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 38.99 1ss9 s ILE 129 CO 0.13 0.03 0.19 -0.62 0.00 0.00 0.00 174.94 174.67 1ss9 s ASP 130 N -1.10 5.72 0.12 3.58 -1.08 -0.40 -4.62 116.67 118.89 1ss9 s ASP 130 Ca 0.62 -0.67 -0.09 0.00 -0.52 0.00 0.00 52.55 51.89 1ss9 s ASP 130 Cb -0.33 -2.04 -0.12 0.00 -1.46 0.00 0.00 42.92 38.97 1ss9 s ASP 130 CO 0.41 -0.27 1.30 -0.07 0.52 0.00 0.00 175.17 177.06 1ss9 h LEU 131 N 8.42 0.77 -0.67 -1.34 3.38 -1.94 -1.13 115.31 122.80 1ss9 h LEU 131 Ca -0.30 -0.55 0.05 0.00 0.09 0.00 0.00 57.88 57.17 1ss9 h LEU 131 Cb 1.13 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 1ss9 h LEU 131 CO 0.64 1.34 0.39 0.15 0.09 0.00 0.00 178.44 181.05 1ss9 h PHE 132 N 0.40 0.72 0.07 1.13 3.04 -1.93 -1.08 116.94 119.29 1ss9 h PHE 132 Ca -0.07 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.77 1ss9 h PHE 132 Cb 1.49 -0.23 0.01 0.00 2.56 0.00 0.00 35.95 39.78 1ss9 h PHE 132 CO 0.08 0.38 -0.57 0.28 -2.02 0.00 0.00 178.31 176.45 1ss9 h VAL 133 N 0.74 1.54 -0.48 1.41 2.07 -1.96 -3.33 116.25 116.25 1ss9 h VAL 133 Ca 0.29 -2.31 0.11 0.00 0.82 0.00 0.00 66.70 65.61 1ss9 h VAL 133 Cb 0.12 3.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 1ss9 h VAL 133 CO -0.15 0.65 0.33 -0.08 0.02 0.00 0.00 177.57 178.34 1ss9 h GLU 134 N -0.41 0.13 -0.63 1.57 4.57 -1.01 -1.18 114.58 117.61 1ss9 h GLU 134 Ca -0.09 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1ss9 h GLU 134 Cb 1.38 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1ss9 h GLU 134 CO 0.11 0.09 0.00 2.89 -1.18 0.00 0.00 179.01 180.92 1ss9 n ARG 135 N -4.43 3.25 -2.77 1.92 1.85 -0.42 -4.55 116.66 111.51 1ss9 n ARG 135 Ca 0.08 -2.27 -0.43 0.00 -1.00 0.00 0.00 57.85 54.23 1ss9 n ARG 135 Cb 0.45 -1.80 0.01 0.00 -1.05 0.00 0.00 32.46 30.07 1ss9 n ARG 135 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1ss9 n GLN 136 N 0.80 4.26 -0.21 2.89 7.27 -0.45 -4.99 117.38 126.95 1ss9 n GLN 136 Ca 0.20 -4.23 -0.08 0.00 0.07 0.00 0.00 57.00 52.97 1ss9 n GLN 136 Cb 0.76 -2.64 -0.01 0.00 2.41 0.00 0.00 30.24 30.76 1ss9 n GLN 136 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1ss9 n GLU 137 N 2.05 0.00 0.00 3.69 0.00 -1.26 -1.63 120.64 123.48 1ss9 n GLU 137 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.47 1ss9 n GLU 137 Cb 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 31.44 31.59 1ss9 n GLU 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ss9 n GLY 138 N 0.41 2.06 0.08 8.31 0.00 -1.26 -4.94 105.19 109.85 1ss9 n GLY 138 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 1ss9 n GLY 138 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1ss9 h TYR 139 N 0.00 -0.05 -1.36 1.61 3.20 -1.65 -3.31 116.97 115.41 1ss9 h TYR 139 Ca 0.00 -0.00 0.41 0.00 3.14 0.00 0.00 58.73 62.28 1ss9 h TYR 139 Cb 0.00 0.02 -0.09 0.00 1.54 0.00 0.00 36.73 38.19 1ss9 h TYR 139 CO 0.00 0.37 0.93 -0.22 -1.64 0.00 0.00 178.16 177.60 1ss9 h LYS 140 N -0.99 0.10 0.00 1.82 3.64 -1.85 0.57 116.57 119.87 1ss9 h LYS 140 Ca -0.01 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1ss9 h LYS 140 Cb 0.44 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1ss9 h LYS 140 CO 0.01 0.07 -0.28 1.96 -2.27 0.00 0.00 179.45 178.94 1ss9 h GLN 141 N 0.10 0.00 0.00 1.90 7.50 -1.73 -2.95 115.11 119.93 1ss9 h GLN 141 Ca 0.74 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.88 1ss9 h GLN 141 Cb 2.54 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 30.06 1ss9 h GLN 141 CO -0.21 0.28 -0.07 0.87 -1.50 0.00 0.00 178.83 178.20 1ss9 h LYS 142 N 0.00 0.00 -0.66 1.46 1.57 0.07 -1.53 116.57 117.48 1ss9 h LYS 142 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ss9 h LYS 142 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1ss9 h LYS 142 CO 0.04 0.07 0.00 0.44 -0.57 0.00 0.00 179.45 179.42 1ss9 n ILE 143 N -3.85 1.42 -0.43 1.86 -5.35 -1.19 -4.93 119.36 106.89 1ss9 n ILE 143 Ca -0.02 -1.02 0.00 0.00 -0.27 0.00 0.00 62.75 61.44 1ss9 n ILE 143 Cb 0.16 0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 1ss9 n ILE 143 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ss9 n GLY 144 N 1.24 0.74 3.85 3.28 0.00 -0.57 -4.77 105.19 108.96 1ss9 n GLY 144 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 1ss9 n GLY 144 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ss9 s MET 145 N -0.57 3.90 0.32 1.61 -1.94 -1.12 -5.01 119.30 116.49 1ss9 s MET 145 Ca 0.00 0.75 -0.01 0.00 -1.71 0.00 0.00 55.69 54.71 1ss9 s MET 145 Cb 0.00 -2.26 -0.04 0.00 2.01 0.00 0.00 34.83 34.54 1ss9 s MET 145 CO 0.00 -0.13 0.54 0.00 -0.01 0.00 0.00 175.02 175.42 1ss9 s ALA 146 N -2.45 3.68 0.56 3.03 0.00 -1.26 -4.18 121.76 121.13 1ss9 s ALA 146 Ca 0.56 -0.79 0.25 0.00 0.00 0.00 0.00 51.96 51.97 1ss9 s ALA 146 Cb -0.10 -2.17 1.50 0.00 0.00 0.00 0.00 23.12 22.35 1ss9 s ALA 146 CO 0.29 0.08 2.09 0.22 0.00 0.00 0.00 175.76 178.45 1ss9 h ASP 147 N 1.11 0.00 1.46 0.00 3.58 -1.97 0.08 116.42 120.67 1ss9 h ASP 147 Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 1ss9 h ASP 147 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1ss9 h ASP 147 CO 0.63 0.00 -0.21 1.23 -2.88 0.00 0.00 179.24 178.01 1ss9 h GLY 148 N 0.00 0.00 -5.15 -0.78 0.00 -2.04 -3.44 103.07 91.66 1ss9 h GLY 148 Ca 0.11 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.87 1ss9 h GLY 148 CO -0.00 0.00 0.01 -0.54 0.00 0.00 0.00 176.54 176.01 1ss9 s GLU 149 N -3.17 4.40 -0.19 4.80 2.02 0.01 -5.05 118.70 121.52 1ss9 s GLU 149 Ca 0.08 0.74 -0.11 0.00 0.02 0.00 0.00 54.97 55.70 1ss9 s GLU 149 Cb 0.10 -3.43 -0.05 0.00 0.10 0.00 0.00 34.13 30.85 1ss9 s GLU 149 CO 0.66 0.12 0.19 0.71 0.02 0.00 0.00 175.26 176.97 1ss9 s TYR 150 N 0.64 3.41 0.03 1.61 4.12 -1.26 -4.63 117.35 121.27 1ss9 s TYR 150 Ca 0.34 0.40 -0.30 0.00 0.02 0.00 0.00 57.07 57.52 1ss9 s TYR 150 Cb -0.17 -2.24 -0.06 0.00 -1.52 0.00 0.00 41.96 37.97 1ss9 s TYR 150 CO 0.16 0.23 1.29 -0.47 0.02 0.00 0.00 175.55 176.77 1ss9 s TYR 151 N 0.54 3.20 0.24 2.71 6.14 -1.26 -4.97 117.35 123.94 1ss9 s TYR 151 Ca 0.11 1.09 0.08 0.00 0.64 0.00 0.00 57.07 58.99 1ss9 s TYR 151 Cb -0.12 -3.53 -0.04 0.00 0.42 0.00 0.00 41.96 38.69 1ss9 s TYR 151 CO 0.01 -1.80 0.06 -0.59 0.64 0.00 0.00 175.55 173.87 1ss9 s PHE 152 N 1.65 2.86 0.11 4.97 -0.71 -1.26 -1.27 117.98 124.33 1ss9 s PHE 152 Ca 0.61 -0.16 -0.21 0.00 -1.04 0.00 0.00 56.93 56.13 1ss9 s PHE 152 Cb -0.30 -1.31 -0.07 0.00 -1.21 0.00 0.00 43.02 40.13 1ss9 s PHE 152 CO 0.27 0.57 0.64 1.21 -1.34 0.00 0.00 175.22 176.56 1ss9 s ASN 153 N -3.52 7.14 -0.09 1.98 3.84 -0.47 -4.70 114.94 119.12 1ss9 s ASN 153 Ca 0.31 1.37 0.13 0.00 0.21 0.00 0.00 52.86 54.87 1ss9 s ASN 153 Cb -0.08 -2.40 0.51 0.00 -0.55 0.00 0.00 41.25 38.74 1ss9 s ASN 153 CO 0.21 0.23 1.37 0.00 -2.79 0.00 0.00 177.10 176.12 1ss9 n ALA 154 N 1.54 2.97 0.20 1.71 0.00 -1.26 -4.27 120.51 121.40 1ss9 n ALA 154 Ca -0.08 -1.12 0.09 0.00 0.00 0.00 0.00 53.44 52.33 1ss9 n ALA 154 Cb 0.50 -1.03 0.18 0.00 0.00 0.00 0.00 19.45 19.10 1ss9 n ALA 154 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ss9 h GLY 155 N 4.60 0.00 -6.74 0.00 0.00 -1.94 -3.44 103.07 95.55 1ss9 h GLY 155 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 1ss9 h GLY 155 CO 0.18 0.00 -0.76 0.14 0.00 0.00 0.00 176.54 176.10 1ss9 s VAL 156 N -3.19 0.27 -0.11 4.60 1.01 -1.26 -0.14 120.40 121.58 1ss9 s VAL 156 Ca 0.05 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 1ss9 s VAL 156 Cb 0.06 -0.40 0.05 0.00 0.00 0.00 0.00 36.38 36.09 1ss9 s VAL 156 CO 0.68 0.21 0.27 -0.76 0.00 0.00 0.00 175.10 175.49 1ss9 s LEU 157 N 1.53 0.38 -0.45 3.92 1.43 0.15 -4.44 118.68 121.20 1ss9 s LEU 157 Ca -0.02 0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 53.51 1ss9 s LEU 157 Cb -0.13 0.81 0.07 0.00 0.03 0.00 0.00 46.19 46.98 1ss9 s LEU 157 CO -0.03 -0.17 0.35 -0.22 0.23 0.00 0.00 176.35 176.52 1ss9 s LEU 158 N 1.23 5.46 -0.16 1.79 2.96 -0.44 0.15 118.68 129.67 1ss9 s LEU 158 Ca -0.09 -1.37 -0.09 0.00 -0.22 0.00 0.00 54.13 52.36 1ss9 s LEU 158 Cb -0.10 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 1ss9 s LEU 158 CO -0.09 -0.61 0.16 -0.63 -1.32 0.00 0.00 176.35 173.86 1ss9 s ILE 159 N 1.58 5.42 -1.26 6.68 1.01 -0.27 -0.30 121.20 134.06 1ss9 s ILE 159 Ca 0.04 0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.78 1ss9 s ILE 159 Cb -0.24 -3.47 0.12 0.00 0.01 0.00 0.00 42.46 38.89 1ss9 s ILE 159 CO 0.05 0.50 1.61 -3.20 0.00 0.00 0.00 174.94 173.90 1ss9 n ASN 160 N 2.96 5.05 -0.16 3.58 2.85 -0.97 -2.64 115.26 125.94 1ss9 n ASN 160 Ca -0.17 -2.95 -0.02 0.00 -0.11 0.00 0.00 54.58 51.33 1ss9 n ASN 160 Cb 0.53 -1.65 0.07 0.00 1.24 0.00 0.00 39.78 39.97 1ss9 n ASN 160 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1ss9 h LEU 161 N 10.86 -0.10 -1.00 1.20 3.38 -1.67 -2.25 115.31 125.73 1ss9 h LEU 161 Ca 0.39 0.11 0.22 0.00 0.09 0.00 0.00 57.88 58.68 1ss9 h LEU 161 Cb 0.85 0.17 -0.12 0.00 0.09 0.00 0.00 40.66 41.65 1ss9 h LEU 161 CO 1.37 -0.02 0.59 0.50 0.09 0.00 0.00 178.44 180.97 1ss9 h LYS 162 N 0.18 0.63 -0.06 1.13 3.64 -1.74 0.31 116.57 120.65 1ss9 h LYS 162 Ca 0.26 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.38 1ss9 h LYS 162 Cb 0.37 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1ss9 h LYS 162 CO -0.38 0.41 -0.85 -0.22 -2.27 0.00 0.00 179.45 176.14 1ss9 h LYS 163 N 0.65 0.56 -0.78 1.90 3.64 -1.74 -3.20 116.57 117.61 1ss9 h LYS 163 Ca 0.61 -0.52 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1ss9 h LYS 163 Cb 1.08 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 1ss9 h LYS 163 CO -0.44 1.15 0.37 -1.49 -2.27 0.00 0.00 179.45 176.76 1ss9 h TRP 164 N 0.36 1.12 0.00 1.91 4.06 -0.23 -2.15 115.95 121.02 1ss9 h TRP 164 Ca -0.07 -0.06 -0.00 0.00 2.06 0.00 0.00 58.89 60.82 1ss9 h TRP 164 Cb 1.47 -0.35 -0.00 0.00 -1.00 0.00 0.00 29.16 29.29 1ss9 h TRP 164 CO 0.07 0.82 -0.01 0.00 -3.56 0.00 0.00 178.44 175.76 1ss9 h ARG 165 N 1.10 0.00 -0.00 0.49 3.08 -0.53 -1.77 114.38 116.74 1ss9 h ARG 165 Ca 0.27 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.15 1ss9 h ARG 165 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1ss9 h ARG 165 CO -0.03 0.01 -0.78 0.00 -1.07 0.00 0.00 179.97 178.11 1ss9 h ARG 166 N 0.00 0.04 -6.16 0.04 3.08 -1.38 -3.46 114.38 106.54 1ss9 h ARG 166 Ca -0.00 -0.04 -0.52 0.00 0.07 0.00 0.00 59.98 59.49 1ss9 h ARG 166 Cb 0.17 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.17 1ss9 h ARG 166 CO 0.00 0.79 -0.52 -1.01 -1.07 0.00 0.00 179.97 178.17 1ss9 s HIS 167 N -3.28 2.85 -1.11 3.04 3.76 -0.67 -5.05 115.29 114.83 1ss9 s HIS 167 Ca -0.01 -0.28 -0.07 0.00 -0.15 0.00 0.00 55.06 54.55 1ss9 s HIS 167 Cb 0.11 -1.59 0.28 0.00 1.11 0.00 0.00 32.58 32.49 1ss9 s HIS 167 CO 0.79 0.35 1.37 -3.47 -0.85 0.00 0.00 174.74 172.94 1ss9 n ASP 168 N -1.20 5.97 -0.27 1.40 4.64 -1.26 -4.87 116.55 120.95 1ss9 n ASP 168 Ca -0.04 -3.24 0.15 0.00 -1.38 0.00 0.00 54.79 50.28 1ss9 n ASP 168 Cb 0.60 -1.34 0.42 0.00 -1.04 0.00 0.00 41.12 39.76 1ss9 n ASP 168 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1ss9 h ILE 169 N 3.58 0.76 -0.05 5.18 1.08 -1.86 -1.42 117.51 124.78 1ss9 h ILE 169 Ca 0.21 -0.20 -0.12 0.00 -0.39 0.00 0.00 64.86 64.36 1ss9 h ILE 169 Cb 0.72 0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.58 1ss9 h ILE 169 CO 1.23 0.11 -0.50 0.15 -0.69 0.00 0.00 178.15 178.45 1ss9 h PHE 170 N 0.59 0.16 0.03 1.37 3.04 -1.90 -0.77 116.94 119.46 1ss9 h PHE 170 Ca 0.47 -0.05 -0.25 0.00 3.98 0.00 0.00 57.97 62.12 1ss9 h PHE 170 Cb 0.91 -0.03 0.01 0.00 2.56 0.00 0.00 35.95 39.40 1ss9 h PHE 170 CO -0.00 0.61 -1.03 -0.22 -2.02 0.00 0.00 178.31 175.64 1ss9 h LYS 171 N 0.11 0.46 0.00 1.11 3.64 -1.68 -1.78 116.57 118.43 1ss9 h LYS 171 Ca 0.00 -0.54 -0.09 0.00 -1.27 0.00 0.00 60.65 58.75 1ss9 h LYS 171 Cb 0.92 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1ss9 h LYS 171 CO 0.07 1.19 -0.43 0.52 -2.27 0.00 0.00 179.45 178.53 1ss9 h MET 172 N 0.24 0.00 -0.20 1.90 2.86 -1.33 0.16 114.93 118.56 1ss9 h MET 172 Ca -0.11 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.37 1ss9 h MET 172 Cb 1.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.35 1ss9 h MET 172 CO 0.18 0.43 -0.50 0.77 1.06 0.00 0.00 176.91 178.85 1ss9 h SER 173 N 0.00 0.79 -0.20 1.22 0.02 -1.04 -0.56 113.55 113.79 1ss9 h SER 173 Ca -0.00 -0.57 -0.01 0.00 -0.84 0.00 0.00 61.79 60.37 1ss9 h SER 173 Cb 0.77 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1ss9 h SER 173 CO 0.06 1.22 0.10 0.00 -1.14 0.00 0.00 176.83 177.06 1ss9 h GLU 175 N 0.20 -0.13 -0.13 0.00 5.08 -0.94 -1.97 114.58 116.69 1ss9 h GLU 175 Ca 0.07 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1ss9 h GLU 175 Cb 0.10 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1ss9 h GLU 175 CO -0.01 -0.09 0.04 2.35 -1.00 0.00 0.00 179.01 180.30 1ss9 h TRP 176 N -0.14 0.07 0.00 4.33 7.01 -0.93 -1.39 115.95 124.90 1ss9 h TRP 176 Ca 0.04 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.05 1ss9 h TRP 176 Cb 0.19 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 1ss9 h TRP 176 CO -0.16 0.03 0.01 0.28 -2.79 0.00 0.00 178.44 175.81 1ss9 h VAL 177 N 0.10 0.00 0.00 2.65 2.07 -0.36 0.47 116.25 121.18 1ss9 h VAL 177 Ca 0.06 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.42 1ss9 h VAL 177 Cb 0.04 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1ss9 h VAL 177 CO -0.06 0.00 -1.46 1.21 0.02 0.00 0.00 177.57 177.28 1ss9 n GLU 178 N -2.43 0.62 0.04 1.57 4.07 -0.59 -2.51 120.64 121.42 1ss9 n GLU 178 Ca -0.02 0.19 -0.19 0.00 -0.06 0.00 0.00 57.16 57.08 1ss9 n GLU 178 Cb 0.05 -1.78 -0.13 0.00 -0.06 0.00 0.00 31.44 29.51 1ss9 n GLU 178 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1ss9 h GLN 179 N 0.00 0.34 -0.28 5.31 5.75 0.52 -3.37 115.11 123.38 1ss9 h GLN 179 Ca -0.16 -0.49 -0.09 0.00 -0.15 0.00 0.00 58.65 57.75 1ss9 h GLN 179 Cb 1.56 0.17 -0.05 0.00 1.07 0.00 0.00 27.48 30.22 1ss9 h GLN 179 CO 0.04 1.20 -0.04 0.66 -2.65 0.00 0.00 178.83 178.04 1ss9 n TYR 180 N -4.15 0.92 -0.26 3.99 4.02 0.24 -4.75 117.16 117.17 1ss9 n TYR 180 Ca -0.13 -1.25 0.07 0.00 -0.01 0.00 0.00 57.90 56.59 1ss9 n TYR 180 Cb 0.78 -0.39 0.32 0.00 -0.02 0.00 0.00 39.34 40.03 1ss9 n TYR 180 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1ss9 h LYS 181 N 1.23 0.81 -1.22 -0.72 1.63 -1.66 -2.34 116.57 114.30 1ss9 h LYS 181 Ca 0.11 -0.05 -0.54 0.00 -0.85 0.00 0.00 60.65 59.32 1ss9 h LYS 181 Cb 1.51 -0.18 -0.23 0.00 -0.60 0.00 0.00 32.23 32.72 1ss9 h LYS 181 CO 0.28 0.54 0.70 -0.25 -3.45 0.00 0.00 179.45 177.27 1ss9 n ASP 182 N -4.51 7.23 0.00 4.20 10.43 -1.26 -4.31 116.55 128.33 1ss9 n ASP 182 Ca 0.14 -3.51 0.00 0.00 2.57 0.00 0.00 54.79 53.99 1ss9 n ASP 182 Cb 0.30 -1.01 0.00 0.00 1.84 0.00 0.00 41.12 42.24 1ss9 n ASP 182 CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 1ss9 n VAL 183 N -0.41 0.00 -1.71 2.53 3.14 -1.12 -5.13 118.33 115.63 1ss9 n VAL 183 Ca 0.50 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.51 1ss9 n VAL 183 Cb 0.62 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 33.46 1ss9 n VAL 183 CO 0.00 0.00 0.00 1.15 -6.46 0.00 0.00 176.83 171.52 1ss9 n MET 184 N -1.03 1.19 0.00 1.45 0.00 -0.90 -4.92 117.12 112.91 1ss9 n MET 184 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 57.70 58.16 1ss9 n MET 184 Cb 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 33.22 30.74 1ss9 n MET 184 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1ss9 n GLN 185 N -1.58 0.09 -0.10 3.17 6.02 -1.26 -4.83 117.38 118.89 1ss9 n GLN 185 Ca 0.15 -0.08 0.05 0.00 -0.01 0.00 0.00 57.00 57.10 1ss9 n GLN 185 Cb 0.47 -0.51 0.07 0.00 1.02 0.00 0.00 30.24 31.29 1ss9 n GLN 185 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1ss9 n TYR 186 N -0.04 0.00 -2.24 1.08 4.02 -1.26 -4.89 117.16 113.83 1ss9 n TYR 186 Ca 0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 57.90 57.26 1ss9 n TYR 186 Cb 0.16 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 1ss9 n TYR 186 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1ss9 n GLN 187 N -0.84 0.00 -0.15 -0.72 6.02 -1.26 -2.13 117.38 118.30 1ss9 n GLN 187 Ca 0.08 0.00 0.28 0.00 -0.01 0.00 0.00 57.00 57.35 1ss9 n GLN 187 Cb 0.52 0.00 0.61 0.00 1.02 0.00 0.00 30.24 32.39 1ss9 n GLN 187 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1ss9 h ASP 188 N 4.47 0.00 0.22 1.08 2.03 -1.90 1.40 116.42 123.73 1ss9 h ASP 188 Ca 0.00 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.19 1ss9 h ASP 188 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 1ss9 h ASP 188 CO 0.00 0.00 -0.44 -0.08 -1.03 0.00 0.00 179.24 177.69 1ss9 h GLU 189 N 0.00 0.27 -0.05 4.15 4.81 -1.81 -2.27 114.58 119.68 1ss9 h GLU 189 Ca 0.42 -0.14 -0.18 0.00 -0.13 0.00 0.00 59.36 59.34 1ss9 h GLU 189 Cb 2.27 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.67 1ss9 h GLU 189 CO -0.00 0.66 -0.67 -0.44 -0.73 0.00 0.00 179.01 177.82 1ss9 h ASP 190 N 0.22 0.67 -0.18 1.04 3.45 0.18 -2.85 116.42 118.95 1ss9 h ASP 190 Ca 0.02 -0.71 0.03 0.00 0.43 0.00 0.00 57.03 56.80 1ss9 h ASP 190 Cb 0.87 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 39.41 1ss9 h ASP 190 CO 0.07 1.28 0.01 0.40 -1.57 0.00 0.00 179.24 179.43 1ss9 h ILE 191 N 0.12 0.89 -0.65 0.35 2.04 -1.29 -0.22 117.51 118.75 1ss9 h ILE 191 Ca -0.07 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1ss9 h ILE 191 Cb 1.35 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 1ss9 h ILE 191 CO 0.13 0.01 0.37 -0.07 0.00 0.00 0.00 178.15 178.60 1ss9 h LEU 192 N 0.08 0.81 -0.26 1.44 3.38 -1.49 -1.30 115.31 117.96 1ss9 h LEU 192 Ca 0.08 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1ss9 h LEU 192 Cb 0.10 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1ss9 h LEU 192 CO -0.13 0.66 0.00 0.78 0.09 0.00 0.00 178.44 179.84 1ss9 h ASN 193 N 0.89 0.45 -0.05 -0.43 2.35 -1.23 -1.63 115.58 115.93 1ss9 h ASN 193 Ca 0.23 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1ss9 h ASN 193 Cb 0.02 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 1ss9 h ASN 193 CO -0.04 0.65 0.03 1.23 -1.65 0.00 0.00 177.43 177.64 1ss9 h GLY 194 N 0.24 0.08 1.25 2.83 0.00 -0.93 -1.38 103.07 105.16 1ss9 h GLY 194 Ca 0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 1ss9 h GLY 194 CO 0.01 0.04 0.27 1.41 0.00 0.00 0.00 176.54 178.27 1ss9 h LEU 195 N -0.03 0.88 -2.92 3.11 3.38 -1.25 -3.28 115.31 115.20 1ss9 h LEU 195 Ca 0.02 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ss9 h LEU 195 Cb 0.11 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1ss9 h LEU 195 CO -0.00 0.78 0.00 0.49 0.09 0.00 0.00 178.44 179.80 1ss9 n PHE 196 N -4.31 0.53 -1.66 1.13 3.72 -0.62 -5.01 117.46 111.24 1ss9 n PHE 196 Ca 0.06 -0.53 -0.45 0.00 -0.05 0.00 0.00 57.45 56.48 1ss9 n PHE 196 Cb 0.17 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 1ss9 n PHE 196 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1ss9 n LYS 197 N 0.46 1.91 -0.34 -1.08 2.85 -0.52 -0.75 118.16 120.70 1ss9 n LYS 197 Ca 0.13 0.68 0.00 0.00 -1.05 0.00 0.00 58.31 58.07 1ss9 n LYS 197 Cb 0.47 -2.30 0.00 0.00 -0.65 0.00 0.00 35.03 32.56 1ss9 n LYS 197 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ss9 n GLY 198 N 1.98 1.63 2.13 2.58 0.00 -1.26 -4.85 105.19 107.40 1ss9 n GLY 198 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 1ss9 n GLY 198 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ss9 n GLY 199 N -2.00 3.17 3.34 -0.02 0.00 0.07 -5.07 105.19 104.68 1ss9 n GLY 199 Ca 0.00 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 1ss9 n GLY 199 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ss9 s VAL 200 N -3.22 2.30 -0.11 1.61 1.01 -1.24 -1.93 120.40 118.82 1ss9 s VAL 200 Ca 0.36 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 1ss9 s VAL 200 Cb 0.36 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 1ss9 s VAL 200 CO -0.05 0.58 0.27 0.00 0.00 0.00 0.00 175.10 175.90 1ss9 s TYR 202 N -0.39 3.38 0.27 0.00 1.51 -1.26 -1.06 117.35 119.80 1ss9 s TYR 202 Ca 0.17 0.28 0.10 0.00 -1.01 0.00 0.00 57.07 56.62 1ss9 s TYR 202 Cb -0.14 -1.79 -0.04 0.00 -0.11 0.00 0.00 41.96 39.88 1ss9 s TYR 202 CO 0.06 0.59 -0.03 0.00 -1.11 0.00 0.00 175.55 175.06 1ss9 s ALA 203 N -1.17 3.10 0.75 3.71 0.00 -0.53 -4.87 121.76 122.75 1ss9 s ALA 203 Ca 0.22 -1.69 -0.15 0.00 0.00 0.00 0.00 51.96 50.34 1ss9 s ALA 203 Cb -0.12 -0.69 0.05 0.00 0.00 0.00 0.00 23.12 22.36 1ss9 s ALA 203 CO 0.12 0.26 1.22 1.21 0.00 0.00 0.00 175.76 178.58 1ss9 s ASN 204 N -3.65 4.01 0.00 0.00 2.47 -1.26 -4.53 114.94 111.97 1ss9 s ASN 204 Ca 0.31 2.42 0.13 0.00 0.42 0.00 0.00 52.86 56.14 1ss9 s ASN 204 Cb -0.06 -2.59 0.77 0.00 -1.45 0.00 0.00 41.25 37.91 1ss9 s ASN 204 CO 0.19 -2.39 1.20 -1.20 -3.72 0.00 0.00 177.10 171.18 1ss9 n SER 205 N -2.81 0.00 0.26 -4.21 7.64 -0.08 -2.47 113.62 111.95 1ss9 n SER 205 Ca 0.14 -0.40 0.15 0.00 1.01 0.00 0.00 58.87 59.77 1ss9 n SER 205 Cb 0.50 -0.00 0.52 0.00 -1.01 0.00 0.00 64.21 64.22 1ss9 n SER 205 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1ss9 h ARG 206 N 0.00 0.00 -0.50 1.43 0.11 -1.86 -2.74 114.38 110.82 1ss9 h ARG 206 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ss9 h ARG 206 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1ss9 h ARG 206 CO 0.00 0.01 0.00 1.19 0.10 0.00 0.00 179.97 181.27 1ss9 n PHE 207 N -3.10 0.66 -2.72 4.08 3.01 -1.03 -1.19 117.46 117.17 1ss9 n PHE 207 Ca 0.02 -0.33 -0.08 0.00 1.01 0.00 0.00 57.45 58.07 1ss9 n PHE 207 Cb 0.38 0.00 0.09 0.00 -0.01 0.00 0.00 39.48 39.94 1ss9 n PHE 207 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1ss9 n ASN 208 N 0.96 -2.21 -4.59 4.37 2.85 -1.05 -4.59 115.26 110.99 1ss9 n ASN 208 Ca 0.17 -3.26 -0.43 0.00 -0.11 0.00 0.00 54.58 50.95 1ss9 n ASN 208 Cb 0.42 1.74 -0.02 0.00 1.24 0.00 0.00 39.78 43.16 1ss9 n ASN 208 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 1ss9 s PHE 209 N 0.30 2.43 0.49 1.20 5.36 0.25 -4.79 117.98 123.22 1ss9 s PHE 209 Ca 0.24 0.63 0.06 0.00 -0.96 0.00 0.00 56.93 56.90 1ss9 s PHE 209 Cb 0.28 -4.36 0.00 0.00 -0.34 0.00 0.00 43.02 38.60 1ss9 s PHE 209 CO -0.11 -1.87 0.32 -1.64 -1.46 0.00 0.00 175.22 170.46 1ss9 s MET 210 N 5.01 2.30 0.20 10.12 -1.94 -1.26 0.48 119.30 134.21 1ss9 s MET 210 Ca 0.57 -1.91 -0.11 0.00 -1.71 0.00 0.00 55.69 52.53 1ss9 s MET 210 Cb -0.12 -2.09 0.24 0.00 2.01 0.00 0.00 34.83 34.88 1ss9 s MET 210 CO 0.31 -0.40 1.71 -1.35 -0.01 0.00 0.00 175.02 175.28 1ss9 h PRO 211 N 1.01 0.23 -0.78 2.03 0.11 -1.89 0.63 132.00 133.34 1ss9 h PRO 211 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1ss9 h PRO 211 Cb 1.28 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 1ss9 h PRO 211 CO 0.61 0.15 0.49 1.15 -0.21 0.00 0.00 178.00 180.20 1ss9 h THR 212 N 0.23 1.21 -0.29 -1.15 2.02 -1.96 0.26 112.91 113.24 1ss9 h THR 212 Ca 0.28 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1ss9 h THR 212 Cb 0.40 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1ss9 h THR 212 CO -0.37 0.21 0.05 0.78 0.37 0.00 0.00 175.52 176.55 1ss9 h ASN 213 N 1.06 0.46 0.50 4.18 2.35 -1.59 -2.25 115.58 120.28 1ss9 h ASN 213 Ca 0.28 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1ss9 h ASN 213 Cb -0.09 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 1ss9 h ASN 213 CO -0.06 0.60 -0.44 0.22 -1.65 0.00 0.00 177.43 176.10 1ss9 h TYR 214 N 0.30 -1.21 -1.08 1.19 3.20 0.01 -2.27 116.97 117.10 1ss9 h TYR 214 Ca 0.09 0.00 0.36 0.00 3.14 0.00 0.00 58.73 62.32 1ss9 h TYR 214 Cb 0.34 0.46 -0.14 0.00 1.54 0.00 0.00 36.73 38.93 1ss9 h TYR 214 CO 0.02 -0.60 0.64 0.00 -1.64 0.00 0.00 178.16 176.58 1ss9 h ALA 215 N -1.08 2.20 0.00 1.82 0.00 -0.48 0.85 119.26 122.57 1ss9 h ALA 215 Ca -0.06 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1ss9 h ALA 215 Cb 0.78 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1ss9 h ALA 215 CO -0.02 -0.83 -0.24 0.74 0.00 0.00 0.00 179.25 178.89 1ss9 h PHE 216 N 0.22 0.00 -0.25 0.00 -1.00 -0.81 -1.95 116.94 113.15 1ss9 h PHE 216 Ca 0.76 0.00 0.07 0.00 2.81 0.00 0.00 57.97 61.61 1ss9 h PHE 216 Cb 1.97 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.52 1ss9 h PHE 216 CO -0.01 0.24 0.38 0.52 -1.61 0.00 0.00 178.31 177.84 1ss9 h MET 217 N 0.00 0.00 -1.65 1.51 2.86 0.96 0.17 114.93 118.78 1ss9 h MET 217 Ca -0.00 0.00 -0.65 0.00 -2.06 0.00 0.00 59.70 56.99 1ss9 h MET 217 Cb 0.53 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 31.94 1ss9 h MET 217 CO 0.03 0.00 0.83 0.00 1.06 0.00 0.00 176.91 178.83 1ss9 n ALA 218 N -2.19 6.32 -0.83 6.32 0.00 -0.73 -5.15 120.51 124.25 1ss9 n ALA 218 Ca 0.03 -3.49 -0.31 0.00 0.00 0.00 0.00 53.44 49.67 1ss9 n ALA 218 Cb 0.50 -1.89 0.15 0.00 0.00 0.00 0.00 19.45 18.21 1ss9 n ALA 218 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ss9 s ASN 219 N -0.93 3.27 -0.46 0.00 3.84 0.58 -5.10 114.94 116.14 1ss9 s ASN 219 Ca 0.55 2.10 0.07 0.00 0.21 0.00 0.00 52.86 55.79 1ss9 s ASN 219 Cb 0.43 -2.56 0.24 0.00 -0.55 0.00 0.00 41.25 38.82 1ss9 s ASN 219 CO -0.22 -2.87 0.77 0.00 -2.79 0.00 0.00 177.10 171.99 1ss9 n ALA 222 N -4.08 -0.24 -1.38 1.71 0.00 -1.26 -5.15 120.51 110.12 1ss9 n ALA 222 Ca 0.11 -2.00 0.00 0.00 0.00 0.00 0.00 53.44 51.55 1ss9 n ALA 222 Cb 0.52 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1ss9 n ALA 222 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ss9 n SER 223 N 1.64 0.00 0.01 0.00 2.88 -1.26 -4.74 113.62 112.14 1ss9 n SER 223 Ca 0.13 0.76 0.03 0.00 -1.33 0.00 0.00 58.87 58.46 1ss9 n SER 223 Cb 0.60 -1.14 0.15 0.00 -0.75 0.00 0.00 64.21 63.06 1ss9 n SER 223 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1ss9 n ARG 224 N 1.66 0.01 -4.09 -1.46 3.00 -1.26 -4.75 116.66 109.75 1ss9 n ARG 224 Ca 0.00 0.40 -0.10 0.00 -0.00 0.00 0.00 57.85 58.15 1ss9 n ARG 224 Cb 0.00 -1.52 -0.08 0.00 0.00 0.00 0.00 32.46 30.86 1ss9 n ARG 224 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1ss9 s HIS 225 N -3.02 0.75 -0.09 -0.14 3.76 -1.26 -5.04 115.29 110.26 1ss9 s HIS 225 Ca 0.03 -1.05 0.14 0.00 -0.15 0.00 0.00 55.06 54.03 1ss9 s HIS 225 Cb 0.04 -0.20 -0.21 0.00 1.11 0.00 0.00 32.58 33.32 1ss9 s HIS 225 CO 0.12 -0.79 0.33 0.25 -0.85 0.00 0.00 174.74 173.80 1ss9 n THR 226 N -0.31 0.00 -1.69 1.30 -2.24 -1.26 -4.81 114.28 105.27 1ss9 n THR 226 Ca -0.01 -0.30 -0.61 0.00 -2.27 0.00 0.00 64.05 60.87 1ss9 n THR 226 Cb 0.64 0.27 -0.08 0.00 -2.10 0.00 0.00 70.33 69.06 1ss9 n THR 226 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ss9 n ASP 227 N -1.91 1.69 -0.14 3.42 4.64 -1.26 -4.82 116.55 118.18 1ss9 n ASP 227 Ca -0.02 1.13 0.11 0.00 -1.38 0.00 0.00 54.79 54.62 1ss9 n ASP 227 Cb 0.34 -1.04 0.44 0.00 -1.04 0.00 0.00 41.12 39.83 1ss9 n ASP 227 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1ss9 h PRO 228 N 5.80 0.53 -0.09 -0.67 0.13 -1.99 -2.42 132.00 133.29 1ss9 h PRO 228 Ca -0.46 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1ss9 h PRO 228 Cb 1.35 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ss9 h PRO 228 CO 0.92 0.35 0.03 1.25 -0.23 0.00 0.00 178.00 180.32 1ss9 h LEU 229 N 0.55 0.14 0.12 1.56 6.46 -1.99 -0.14 115.31 122.01 1ss9 h LEU 229 Ca 0.32 -0.20 0.01 0.00 -0.12 0.00 0.00 57.88 57.89 1ss9 h LEU 229 Cb 0.51 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 1ss9 h LEU 229 CO -0.10 0.31 -0.18 0.22 -0.62 0.00 0.00 178.44 178.06 1ss9 h TYR 230 N -0.04 -0.47 -0.85 1.25 3.20 -1.84 0.48 116.97 118.70 1ss9 h TYR 230 Ca 0.03 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.97 1ss9 h TYR 230 Cb 0.22 0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.63 1ss9 h TYR 230 CO -0.00 -0.26 0.55 0.00 -1.64 0.00 0.00 178.16 176.81 1ss9 h ARG 231 N -0.35 0.93 -0.58 1.82 3.08 -1.40 0.24 114.38 118.11 1ss9 h ARG 231 Ca 0.02 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 1ss9 h ARG 231 Cb 0.36 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1ss9 h ARG 231 CO -0.09 0.61 0.06 0.22 -1.07 0.00 0.00 179.97 179.70 1ss9 h ASP 232 N 0.96 0.94 -0.01 7.04 1.82 -0.28 -2.57 116.42 124.32 1ss9 h ASP 232 Ca 0.36 -0.28 -0.13 0.00 -0.39 0.00 0.00 57.03 56.59 1ss9 h ASP 232 Cb 0.19 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 39.96 1ss9 h ASP 232 CO -0.13 0.99 -0.51 0.03 -1.61 0.00 0.00 179.24 178.01 1ss9 h ARG 233 N 0.87 0.37 0.00 0.28 2.47 0.10 -3.23 114.38 115.25 1ss9 h ARG 233 Ca 0.17 -0.38 0.00 0.00 -1.26 0.00 0.00 59.98 58.51 1ss9 h ARG 233 Cb 0.47 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 1ss9 h ARG 233 CO 0.02 1.05 0.00 0.25 0.56 0.00 0.00 179.97 181.85 1ss9 n THR 234 N -4.28 0.09 -3.17 2.04 -2.24 0.73 -0.90 114.28 106.54 1ss9 n THR 234 Ca -0.10 0.02 -0.44 0.00 -2.27 0.00 0.00 64.05 61.27 1ss9 n THR 234 Cb 0.63 -0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 68.15 1ss9 n THR 234 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ss9 s ASN 235 N -2.19 6.23 0.07 3.42 2.47 -0.97 -4.80 114.94 119.17 1ss9 s ASN 235 Ca 0.32 -0.82 -0.31 0.00 0.42 0.00 0.00 52.86 52.46 1ss9 s ASN 235 Cb 0.16 -2.29 -0.08 0.00 -1.45 0.00 0.00 41.25 37.60 1ss9 s ASN 235 CO 0.31 -0.85 1.61 -0.89 -3.72 0.00 0.00 177.10 173.57 1ss9 s THR 236 N 2.59 3.06 -0.51 -5.21 2.01 -1.26 -4.49 115.64 111.83 1ss9 s THR 236 Ca 0.16 0.55 -0.19 0.00 0.31 0.00 0.00 61.69 62.51 1ss9 s THR 236 Cb -0.18 -3.35 0.06 0.00 0.01 0.00 0.00 72.50 69.03 1ss9 s THR 236 CO 0.13 0.00 0.64 -0.69 -0.69 0.00 0.00 174.62 174.01 1ss9 s VAL 237 N 2.43 4.86 0.64 3.82 1.01 -1.26 -4.95 120.40 126.94 1ss9 s VAL 237 Ca 0.72 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 62.01 1ss9 s VAL 237 Cb -0.39 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.63 1ss9 s VAL 237 CO 0.32 -0.83 0.87 0.23 0.00 0.00 0.00 175.10 175.69 1ss9 n MET 238 N 6.20 0.70 -2.48 2.72 2.81 -1.26 -4.57 117.12 121.24 1ss9 n MET 238 Ca -0.07 0.28 -0.29 0.00 -1.81 0.00 0.00 57.70 55.82 1ss9 n MET 238 Cb 0.45 -2.10 -0.00 0.00 -0.71 0.00 0.00 33.22 30.86 1ss9 n MET 238 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1ss9 s PRO 239 N -2.82 3.59 0.17 0.03 0.04 -1.26 -5.09 135.00 129.66 1ss9 s PRO 239 Ca 0.74 0.37 -0.32 0.00 0.04 0.00 0.00 61.00 61.83 1ss9 s PRO 239 Cb -0.40 -2.31 -0.11 0.00 0.04 0.00 0.00 34.50 31.73 1ss9 s PRO 239 CO 0.49 -0.27 1.67 0.08 0.04 0.00 0.00 177.00 179.01 1ss9 s VAL 240 N -2.80 2.40 -0.18 -0.36 1.01 -1.26 -4.89 120.40 114.32 1ss9 s VAL 240 Ca 0.50 0.23 0.15 0.00 0.00 0.00 0.00 61.98 62.85 1ss9 s VAL 240 Cb -0.10 -3.15 -0.24 0.00 0.00 0.00 0.00 36.38 32.89 1ss9 s VAL 240 CO 0.45 0.01 0.14 0.00 0.00 0.00 0.00 175.10 175.70 1ss9 n ALA 241 N 4.30 1.48 -3.70 5.51 0.00 -0.44 -4.24 120.51 123.41 1ss9 n ALA 241 Ca 0.15 -1.21 -0.21 0.00 0.00 0.00 0.00 53.44 52.17 1ss9 n ALA 241 Cb 0.37 -0.29 -0.18 0.00 0.00 0.00 0.00 19.45 19.36 1ss9 n ALA 241 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ss9 s VAL 242 N -2.51 0.05 -0.20 0.00 1.01 -0.33 0.44 120.40 118.85 1ss9 s VAL 242 Ca -0.12 0.30 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 1ss9 s VAL 242 Cb 0.07 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 1ss9 s VAL 242 CO 0.80 0.18 0.41 -0.44 0.00 0.00 0.00 175.10 176.06 1ss9 s SER 243 N 2.10 6.45 -0.29 3.32 0.01 -0.10 0.87 113.70 126.05 1ss9 s SER 243 Ca 0.05 0.53 0.01 0.00 1.31 0.00 0.00 55.95 57.85 1ss9 s SER 243 Cb -0.12 -2.24 0.07 0.00 0.21 0.00 0.00 66.02 63.93 1ss9 s SER 243 CO -0.04 -0.09 -0.03 -2.28 0.41 0.00 0.00 173.24 171.20 1ss9 s HIS 244 N 1.36 3.36 -0.33 2.43 5.04 0.18 -0.35 115.29 126.98 1ss9 s HIS 244 Ca 0.20 -2.29 -0.06 0.00 -1.54 0.00 0.00 55.06 51.36 1ss9 s HIS 244 Cb -0.15 -2.21 -0.21 0.00 0.04 0.00 0.00 32.58 30.05 1ss9 s HIS 244 CO 0.08 -0.87 3.28 0.66 -2.34 0.00 0.00 174.74 175.55 1ss9 n TYR 245 N 4.47 0.49 -1.43 3.88 4.01 -0.76 -4.22 117.16 123.61 1ss9 n TYR 245 Ca -0.10 -1.73 -0.40 0.00 -0.16 0.00 0.00 57.90 55.51 1ss9 n TYR 245 Cb 0.42 -1.70 0.02 0.00 -0.31 0.00 0.00 39.34 37.77 1ss9 n TYR 245 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ss9 n GLY 247 N 1.90 -3.07 0.28 0.00 0.00 -1.26 -4.59 105.19 98.44 1ss9 n GLY 247 Ca 0.11 -1.82 0.14 0.00 0.00 0.00 0.00 46.02 44.44 1ss9 n GLY 247 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ss9 h PRO 248 N 0.00 0.00 -5.38 1.61 0.13 -1.99 -3.42 132.00 122.95 1ss9 h PRO 248 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 1ss9 h PRO 248 Cb 0.00 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 30.98 1ss9 h PRO 248 CO 0.00 0.08 0.08 0.00 -0.23 0.00 0.00 178.00 177.93 1ss9 s ALA 249 N -4.34 3.41 0.11 -0.56 0.00 -1.26 -5.06 121.76 114.05 1ss9 s ALA 249 Ca -0.04 -1.08 0.06 0.00 0.00 0.00 0.00 51.96 50.90 1ss9 s ALA 249 Cb 0.14 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1ss9 s ALA 249 CO 0.57 -1.54 -0.01 0.15 0.00 0.00 0.00 175.76 174.94 1ss9 s LYS 250 N 2.68 2.49 0.27 0.00 -0.14 -1.26 -4.76 119.74 119.01 1ss9 s LYS 250 Ca 0.22 -0.91 0.17 0.00 -1.36 0.00 0.00 55.97 54.09 1ss9 s LYS 250 Cb -0.15 -2.48 0.95 0.00 -1.68 0.00 0.00 37.83 34.47 1ss9 s LYS 250 CO 0.16 0.52 1.53 -0.35 -0.76 0.00 0.00 175.35 176.45 1ss9 n PRO 251 N 0.41 0.11 0.00 -1.68 -0.04 -1.26 -0.26 135.00 132.28 1ss9 n PRO 251 Ca -0.11 0.61 0.12 0.00 -0.04 0.00 0.00 63.50 64.09 1ss9 n PRO 251 Cb 0.53 -1.89 0.20 0.00 -0.04 0.00 0.00 33.50 32.29 1ss9 n PRO 251 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ss9 n TRP 252 N -2.12 0.00 -2.06 0.54 2.14 -1.26 -4.86 117.44 109.83 1ss9 n TRP 252 Ca -0.01 0.00 -0.28 0.00 2.07 0.00 0.00 57.50 59.27 1ss9 n TRP 252 Cb 0.04 -0.02 0.15 0.00 -0.81 0.00 0.00 31.31 30.67 1ss9 n TRP 252 CO 0.00 0.00 0.00 -1.01 2.07 0.00 0.00 177.69 178.75 1ss9 s HIS 253 N -2.25 1.84 0.04 -2.67 3.76 0.64 -4.90 115.29 111.74 1ss9 s HIS 253 Ca 0.26 0.27 -0.19 0.00 -0.15 0.00 0.00 55.06 55.25 1ss9 s HIS 253 Cb 0.19 -3.80 -0.06 0.00 1.11 0.00 0.00 32.58 30.03 1ss9 s HIS 253 CO 0.44 -2.31 0.55 1.03 -0.85 0.00 0.00 174.74 173.59 1ss9 s ARG 254 N -5.68 4.19 -1.04 1.40 0.52 -1.26 -4.17 118.95 112.91 1ss9 s ARG 254 Ca 0.70 0.67 -0.03 0.00 -0.52 0.00 0.00 55.73 56.56 1ss9 s ARG 254 Cb -0.05 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 32.15 1ss9 s ARG 254 CO 0.50 0.57 0.88 -0.25 0.02 0.00 0.00 175.30 177.02 1ss9 n ASP 255 N 2.03 -3.31 -4.66 0.23 8.00 -1.26 -4.95 116.55 112.63 1ss9 n ASP 255 Ca -0.10 -0.49 -0.41 0.00 0.71 0.00 0.00 54.79 54.50 1ss9 n ASP 255 Cb 0.51 -4.29 -0.04 0.00 -0.02 0.00 0.00 41.12 37.28 1ss9 n ASP 255 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ss9 n THR 257 N 4.87 0.00 -1.74 0.00 -2.24 -1.26 -4.98 114.28 108.93 1ss9 n THR 257 Ca 0.04 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 1ss9 n THR 257 Cb 0.49 1.23 -0.01 0.00 -2.10 0.00 0.00 70.33 69.93 1ss9 n THR 257 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ss9 n ALA 258 N -0.07 2.27 -1.52 6.98 0.00 -1.26 -4.92 120.51 121.99 1ss9 n ALA 258 Ca 0.08 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.48 1ss9 n ALA 258 Cb 0.41 -2.42 0.02 0.00 0.00 0.00 0.00 19.45 17.46 1ss9 n ALA 258 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1ss9 n TRP 259 N 1.47 0.17 -0.93 0.00 -0.00 -1.26 -2.49 117.44 114.41 1ss9 n TRP 259 Ca 0.06 0.55 -0.01 0.00 -0.00 0.00 0.00 57.50 58.10 1ss9 n TRP 259 Cb 0.37 -2.08 -0.01 0.00 -0.00 0.00 0.00 31.31 29.59 1ss9 n TRP 259 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1ss9 n GLY 260 N 1.53 0.12 0.09 5.87 0.00 -1.26 -4.84 105.19 106.71 1ss9 n GLY 260 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.21 1ss9 n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ss9 n ALA 261 N 0.91 1.27 0.13 4.61 0.00 -1.04 -2.57 120.51 123.81 1ss9 n ALA 261 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 1ss9 n ALA 261 Cb 0.46 -1.23 0.21 0.00 0.00 0.00 0.00 19.45 18.88 1ss9 n ALA 261 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ss9 h GLU 262 N 0.00 0.07 -0.12 0.00 3.07 -1.88 -3.00 114.58 112.72 1ss9 h GLU 262 Ca 0.00 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.85 1ss9 h GLU 262 Cb 0.12 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1ss9 h GLU 262 CO 0.00 0.59 0.15 -0.09 -1.40 0.00 0.00 179.01 178.25 1ss9 h ARG 263 N 0.06 0.00 0.32 2.33 2.43 -1.91 -0.91 114.38 116.70 1ss9 h ARG 263 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1ss9 h ARG 263 Cb 0.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1ss9 h ARG 263 CO 0.07 0.00 -0.15 0.35 -1.51 0.00 0.00 179.97 178.73 1ss9 h PHE 264 N 0.00 -0.40 -0.46 2.20 3.57 -1.74 -1.11 116.94 119.00 1ss9 h PHE 264 Ca 0.06 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1ss9 h PHE 264 Cb 0.35 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1ss9 h PHE 264 CO 0.00 -0.20 0.17 1.79 -2.23 0.00 0.00 178.31 177.85 1ss9 h THR 265 N -0.50 1.21 -0.96 4.41 1.35 -1.45 0.31 112.91 117.28 1ss9 h THR 265 Ca -0.04 -0.66 0.20 0.00 -0.55 0.00 0.00 66.41 65.35 1ss9 h THR 265 Cb 0.38 0.79 -0.09 0.00 -1.73 0.00 0.00 68.15 67.50 1ss9 h THR 265 CO 0.07 0.24 0.61 -0.08 -0.25 0.00 0.00 175.52 176.12 1ss9 h GLU 266 N 0.60 0.58 0.01 4.72 4.81 -1.05 0.56 114.58 124.80 1ss9 h GLU 266 Ca 0.15 -0.04 -0.26 0.00 -0.13 0.00 0.00 59.36 59.08 1ss9 h GLU 266 Cb 0.21 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1ss9 h GLU 266 CO -0.01 0.39 -1.45 -0.07 -0.73 0.00 0.00 179.01 177.13 1ss9 h LEU 267 N 0.60 0.02 -0.29 1.64 3.38 -0.66 -3.23 115.31 116.77 1ss9 h LEU 267 Ca 0.53 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.40 1ss9 h LEU 267 Cb 1.03 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1ss9 h LEU 267 CO -0.28 1.03 -0.08 0.00 0.09 0.00 0.00 178.44 179.20 1ss9 h ALA 268 N 0.97 0.39 0.00 1.53 0.00 0.13 -2.56 119.26 119.72 1ss9 h ALA 268 Ca -0.19 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ss9 h ALA 268 Cb 1.93 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1ss9 h ALA 268 CO 0.10 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.98 1ss9 n GLY 269 N -0.15 -0.71 0.42 0.00 0.00 0.18 -2.56 105.19 102.37 1ss9 n GLY 269 Ca -0.03 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.92 1ss9 n GLY 269 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ss9 n SER 270 N -0.97 1.79 -4.67 1.61 3.41 -0.98 -5.03 113.62 108.78 1ss9 n SER 270 Ca 0.16 -1.39 -0.37 0.00 -0.26 0.00 0.00 58.87 57.01 1ss9 n SER 270 Cb 0.07 0.21 0.07 0.00 -0.26 0.00 0.00 64.21 64.31 1ss9 n SER 270 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ss9 n LEU 271 N 0.32 4.81 -0.07 1.04 4.77 -1.06 -4.96 117.00 121.85 1ss9 n LEU 271 Ca 0.07 0.79 -0.13 0.00 -0.03 0.00 0.00 56.01 56.70 1ss9 n LEU 271 Cb 0.30 -1.47 -0.12 0.00 -2.33 0.00 0.00 43.42 39.80 1ss9 n LEU 271 CO 0.12 -1.49 0.37 0.74 -1.33 0.00 0.00 177.39 175.80 1ss9 h THR 272 N 0.34 1.65 -3.15 -5.08 2.02 -1.89 -3.45 112.91 103.34 1ss9 h THR 272 Ca -0.49 -2.21 -0.60 0.00 0.77 0.00 0.00 66.41 63.87 1ss9 h THR 272 Cb 1.35 3.11 -0.36 0.00 -1.74 0.00 0.00 68.15 70.51 1ss9 h THR 272 CO 0.51 0.55 -0.83 -0.89 0.37 0.00 0.00 175.52 175.23 1ss9 s THR 273 N -2.24 1.56 -0.26 3.16 2.01 -1.26 -5.06 115.64 113.55 1ss9 s THR 273 Ca -0.18 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.20 1ss9 s THR 273 Cb -0.03 -1.45 0.07 0.00 0.01 0.00 0.00 72.50 71.10 1ss9 s THR 273 CO 0.64 0.46 -0.03 0.54 -0.69 0.00 0.00 174.62 175.53 1ss9 s VAL 274 N 1.36 1.69 0.47 3.82 0.11 -1.26 -4.80 120.40 121.79 1ss9 s VAL 274 Ca 0.02 -1.48 -0.24 0.00 -2.93 0.00 0.00 61.98 57.35 1ss9 s VAL 274 Cb -0.13 -2.00 -0.07 0.00 -1.53 0.00 0.00 36.38 32.65 1ss9 s VAL 274 CO -0.08 -0.22 1.30 -2.84 -3.33 0.00 0.00 175.10 169.92 1ss9 s PRO 275 N 1.29 3.60 0.26 1.54 0.02 -1.26 -4.89 135.00 135.57 1ss9 s PRO 275 Ca -0.02 2.12 -0.03 0.00 0.02 0.00 0.00 61.00 63.09 1ss9 s PRO 275 Cb -0.19 -2.49 0.56 0.00 0.02 0.00 0.00 34.50 32.40 1ss9 s PRO 275 CO -0.08 -0.78 1.65 1.49 -0.33 0.00 0.00 177.00 178.94 1ss9 h GLU 276 N 2.07 0.17 0.00 5.54 4.57 -2.02 0.37 114.58 125.27 1ss9 h GLU 276 Ca -0.50 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1ss9 h GLU 276 Cb 1.27 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1ss9 h GLU 276 CO 0.60 0.11 0.00 -1.91 -1.18 0.00 0.00 179.01 176.63 1ss9 n GLU 277 N -5.27 0.02 0.03 1.92 4.07 -1.26 -1.45 120.64 118.70 1ss9 n GLU 277 Ca 0.17 0.36 0.09 0.00 -0.06 0.00 0.00 57.16 57.72 1ss9 n GLU 277 Cb 0.56 -1.50 -0.10 0.00 -0.06 0.00 0.00 31.44 30.34 1ss9 n GLU 277 CO 0.00 0.00 0.00 0.91 -0.06 0.00 0.00 177.13 177.98 1ss9 n TRP 278 N -1.44 0.45 -0.32 4.31 7.02 0.13 -4.44 117.44 123.15 1ss9 n TRP 278 Ca 0.02 0.14 0.07 0.00 -1.02 0.00 0.00 57.50 56.70 1ss9 n TRP 278 Cb 0.06 -0.76 0.17 0.00 -2.42 0.00 0.00 31.31 28.36 1ss9 n TRP 278 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ss9 h ARG 279 N 0.00 0.02 0.00 -0.99 2.47 -1.16 -2.39 114.38 112.32 1ss9 h ARG 279 Ca -0.05 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1ss9 h ARG 279 Cb 1.13 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 1ss9 h ARG 279 CO 0.01 0.01 0.00 0.41 0.56 0.00 0.00 179.97 180.96 1ss9 n GLY 280 N -1.53 -2.59 0.42 0.04 0.00 -1.26 -3.02 105.19 97.25 1ss9 n GLY 280 Ca 0.16 0.01 0.32 0.00 0.00 0.00 0.00 46.02 46.51 1ss9 n GLY 280 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ss9 n LYS 281 N -1.62 -0.01 0.00 1.61 5.02 -0.99 -5.16 118.16 117.01 1ss9 n LYS 281 Ca 0.00 0.73 0.05 0.00 -2.02 0.00 0.00 58.31 57.07 1ss9 n LYS 281 Cb 0.00 -1.61 0.04 0.00 -0.02 0.00 0.00 35.03 33.45 1ss9 n LYS 281 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16