#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ka9 s LEU 3 N 0.00 4.22 0.35 -3.43 1.43 -1.26 -5.09 118.68 114.90 1ka9 s LEU 3 Ca 0.00 0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 53.24 1ka9 s LEU 3 Cb 0.00 -3.17 -0.10 0.00 0.03 0.00 0.00 46.19 42.96 1ka9 s LEU 3 CO 0.00 -0.06 0.99 0.00 0.23 0.00 0.00 176.35 177.51 1ka9 s ALA 4 N -1.90 3.18 0.36 4.21 0.00 -1.26 -4.94 121.76 121.40 1ka9 s ALA 4 Ca 0.38 0.62 -0.27 0.00 0.00 0.00 0.00 51.96 52.69 1ka9 s ALA 4 Cb -0.11 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 1ka9 s ALA 4 CO 0.29 0.01 1.25 0.15 0.00 0.00 0.00 175.76 177.47 1ka9 s LYS 5 N -2.17 4.23 -0.14 0.00 -0.14 -0.17 -4.95 119.74 116.40 1ka9 s LYS 5 Ca 0.52 2.07 -0.07 0.00 -1.36 0.00 0.00 55.97 57.14 1ka9 s LYS 5 Cb -0.21 -2.92 -0.04 0.00 -1.68 0.00 0.00 37.83 32.98 1ka9 s LYS 5 CO 0.26 -0.24 0.10 1.03 -0.76 0.00 0.00 175.35 175.74 1ka9 s ARG 6 N -1.97 3.55 -0.28 1.68 0.52 -0.40 -4.54 118.95 117.51 1ka9 s ARG 6 Ca 0.52 -0.23 -0.10 0.00 -0.52 0.00 0.00 55.73 55.40 1ka9 s ARG 6 Cb -0.36 -3.15 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 1ka9 s ARG 6 CO 0.47 0.61 0.15 0.42 0.02 0.00 0.00 175.30 176.98 1ka9 s ILE 7 N -0.57 4.88 -0.28 1.52 -1.09 -1.26 -0.69 121.20 123.70 1ka9 s ILE 7 Ca 0.12 -0.05 0.02 0.00 -2.23 0.00 0.00 60.65 58.50 1ka9 s ILE 7 Cb -0.12 -3.35 0.08 0.00 -1.58 0.00 0.00 42.46 37.49 1ka9 s ILE 7 CO 0.02 0.24 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.26 1ka9 s VAL 8 N 1.69 1.76 0.34 2.92 1.01 0.10 -1.92 120.40 126.30 1ka9 s VAL 8 Ca 0.06 -1.62 -0.25 0.00 0.00 0.00 0.00 61.98 60.17 1ka9 s VAL 8 Cb -0.16 -2.10 -0.10 0.00 0.00 0.00 0.00 36.38 34.02 1ka9 s VAL 8 CO 0.08 -0.29 0.97 -2.16 0.00 0.00 0.00 175.10 173.69 1ka9 s PRO 9 N 1.24 4.49 -0.13 2.72 0.04 -1.24 -2.12 135.00 140.00 1ka9 s PRO 9 Ca 0.00 1.36 0.02 0.00 0.04 0.00 0.00 61.00 62.42 1ka9 s PRO 9 Cb -0.19 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1ka9 s PRO 9 CO -0.09 0.18 -0.20 0.00 0.04 0.00 0.00 177.00 176.93 1ka9 s LEU 11 N 0.64 2.59 -0.07 0.00 1.02 0.01 -4.41 118.68 118.47 1ka9 s LEU 11 Ca -0.10 -0.48 -0.30 0.00 0.02 0.00 0.00 54.13 53.27 1ka9 s LEU 11 Cb -0.16 -1.63 -0.02 0.00 0.02 0.00 0.00 46.19 44.40 1ka9 s LEU 11 CO 0.02 0.01 1.01 -1.81 0.02 0.00 0.00 176.35 175.61 1ka9 s ASP 12 N 1.26 7.27 0.05 2.29 1.01 -1.26 -1.60 116.67 125.69 1ka9 s ASP 12 Ca 0.03 1.59 0.09 0.00 0.71 0.00 0.00 52.55 54.97 1ka9 s ASP 12 Cb -0.14 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.20 1ka9 s ASP 12 CO -0.05 -0.40 -0.26 -0.69 0.21 0.00 0.00 175.17 173.98 1ka9 s VAL 13 N 1.71 2.07 -0.11 -1.27 1.01 0.14 -2.83 120.40 121.12 1ka9 s VAL 13 Ca 0.50 -1.38 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 1ka9 s VAL 13 Cb -0.20 -1.78 0.05 0.00 0.00 0.00 0.00 36.38 34.46 1ka9 s VAL 13 CO 0.21 0.33 0.25 -2.28 0.00 0.00 0.00 175.10 173.61 1ka9 s HIS 14 N -0.82 -0.36 -1.44 5.22 2.46 0.19 -1.41 115.29 119.13 1ka9 s HIS 14 Ca 0.11 0.86 -0.02 0.00 0.47 0.00 0.00 55.06 56.49 1ka9 s HIS 14 Cb -0.10 -0.01 0.01 0.00 -0.13 0.00 0.00 32.58 32.35 1ka9 s HIS 14 CO 0.02 -0.29 0.41 0.00 -2.47 0.00 0.00 174.74 172.41 1ka9 n ALA 15 N 4.82 -1.95 -1.14 1.58 0.00 -1.26 -0.89 120.51 121.67 1ka9 n ALA 15 Ca -0.15 -0.26 -0.05 0.00 0.00 0.00 0.00 53.44 52.98 1ka9 n ALA 15 Cb 0.51 -1.58 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 1ka9 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ka9 n GLY 16 N -1.99 0.71 3.25 0.00 0.00 -1.26 -5.01 105.19 100.88 1ka9 n GLY 16 Ca -0.28 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 1ka9 n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ka9 s ARG 17 N -1.89 1.03 -1.00 1.61 1.81 -0.07 -4.40 118.95 116.04 1ka9 s ARG 17 Ca 0.00 -1.16 -0.18 0.00 -1.72 0.00 0.00 55.73 52.67 1ka9 s ARG 17 Cb 0.00 -1.08 0.13 0.00 -0.45 0.00 0.00 34.95 33.54 1ka9 s ARG 17 CO 0.00 0.23 1.24 0.08 -0.68 0.00 0.00 175.30 176.18 1ka9 s VAL 18 N -1.60 4.66 0.17 3.52 1.01 -0.21 -0.64 120.40 127.31 1ka9 s VAL 18 Ca 0.06 -1.68 0.07 0.00 0.00 0.00 0.00 61.98 60.43 1ka9 s VAL 18 Cb -0.08 -4.85 0.19 0.00 0.00 0.00 0.00 36.38 31.63 1ka9 s VAL 18 CO 0.04 -1.60 0.78 0.52 0.00 0.00 0.00 175.10 174.83 1ka9 n VAL 19 N 5.55 -0.21 0.79 2.92 0.31 -1.13 0.42 118.33 126.99 1ka9 n VAL 19 Ca 0.28 1.03 0.11 0.00 -0.01 0.00 0.00 64.34 65.75 1ka9 n VAL 19 Cb 0.48 -1.61 -0.02 0.00 -0.91 0.00 0.00 33.84 31.78 1ka9 n VAL 19 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1ka9 n LYS 20 N -4.28 0.14 0.00 5.55 5.02 -1.26 -5.09 118.16 118.23 1ka9 n LYS 20 Ca 0.16 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1ka9 n LYS 20 Cb 0.54 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1ka9 n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ka9 n GLY 21 N 1.44 -1.46 2.82 0.72 0.00 0.17 -4.99 105.19 103.88 1ka9 n GLY 21 Ca 0.03 -1.57 -0.17 0.00 0.00 0.00 0.00 46.02 44.31 1ka9 n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ka9 s VAL 22 N -2.09 -0.22 -0.30 1.61 1.01 -0.08 -4.87 120.40 115.46 1ka9 s VAL 22 Ca 0.00 0.35 0.20 0.00 0.00 0.00 0.00 61.98 62.53 1ka9 s VAL 22 Cb 0.00 -0.26 0.48 0.00 0.00 0.00 0.00 36.38 36.60 1ka9 s VAL 22 CO 0.00 0.15 1.02 -0.46 0.00 0.00 0.00 175.10 175.81 1ka9 n ASN 23 N 5.22 1.49 0.02 3.32 2.04 0.04 -4.66 115.26 122.73 1ka9 n ASN 23 Ca -0.06 -2.42 0.12 0.00 -0.44 0.00 0.00 54.58 51.77 1ka9 n ASN 23 Cb 0.50 -0.51 0.18 0.00 -2.53 0.00 0.00 39.78 37.42 1ka9 n ASN 23 CO 0.00 0.00 0.00 2.22 -0.44 0.00 0.00 177.26 179.04 1ka9 n PHE 24 N -0.29 0.21 -4.02 -2.53 1.16 -1.13 -4.58 117.46 106.28 1ka9 n PHE 24 Ca 0.08 0.06 -0.08 0.00 -1.87 0.00 0.00 57.45 55.64 1ka9 n PHE 24 Cb 0.81 -0.40 -0.10 0.00 -1.61 0.00 0.00 39.48 38.19 1ka9 n PHE 24 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1ka9 s VAL 25 N -3.08 0.18 -0.31 1.97 0.11 -1.26 -4.86 120.40 113.14 1ka9 s VAL 25 Ca 0.08 -1.46 -0.29 0.00 -2.93 0.00 0.00 61.98 57.38 1ka9 s VAL 25 Cb 0.16 -1.18 -0.00 0.00 -1.53 0.00 0.00 36.38 33.83 1ka9 s VAL 25 CO 0.73 -0.81 1.38 0.20 -3.33 0.00 0.00 175.10 173.27 1ka9 s ASN 26 N -2.52 6.55 0.21 3.54 0.01 -1.26 -5.02 114.94 116.45 1ka9 s ASN 26 Ca 0.01 1.20 0.08 0.00 -0.71 0.00 0.00 52.86 53.43 1ka9 s ASN 26 Cb 0.03 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 1ka9 s ASN 26 CO -0.08 -1.18 0.05 -0.76 -1.51 0.00 0.00 177.10 173.62 1ka9 s LEU 27 N 4.73 3.41 -0.02 0.60 1.02 -1.26 -5.04 118.68 122.13 1ka9 s LEU 27 Ca 0.60 -0.42 -0.25 0.00 0.02 0.00 0.00 54.13 54.08 1ka9 s LEU 27 Cb -0.17 -2.00 -0.20 0.00 0.02 0.00 0.00 46.19 43.84 1ka9 s LEU 27 CO 0.26 0.04 1.27 0.03 0.02 0.00 0.00 176.35 177.97 1ka9 h ARG 28 N 2.24 0.04 -3.53 1.70 2.47 -1.98 -3.40 114.38 111.92 1ka9 h ARG 28 Ca -0.47 -0.02 -0.60 0.00 -1.26 0.00 0.00 59.98 57.63 1ka9 h ARG 28 Cb 1.22 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 29.14 1ka9 h ARG 28 CO 0.60 0.52 -0.74 0.34 0.56 0.00 0.00 179.97 181.25 1ka9 s ASP 29 N -5.75 4.02 0.00 7.04 -1.08 -1.26 -5.00 116.67 114.64 1ka9 s ASP 29 Ca -0.16 -2.07 0.01 0.00 -0.52 0.00 0.00 52.55 49.82 1ka9 s ASP 29 Cb 0.02 -1.05 0.08 0.00 -1.46 0.00 0.00 42.92 40.51 1ka9 s ASP 29 CO 0.68 -0.36 0.81 0.00 0.52 0.00 0.00 175.17 176.82 1ka9 n ALA 30 N 4.30 1.32 0.32 3.66 0.00 -1.26 -1.45 120.51 127.39 1ka9 n ALA 30 Ca 0.03 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.51 1ka9 n ALA 30 Cb 0.39 -1.02 0.07 0.00 0.00 0.00 0.00 19.45 18.89 1ka9 n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ka9 n GLY 31 N -1.12 0.36 3.60 0.00 0.00 -1.26 -0.91 105.19 105.86 1ka9 n GLY 31 Ca 0.01 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 1ka9 n GLY 31 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ka9 s ASP 32 N -0.94 6.64 0.34 1.61 2.15 -0.52 -1.05 116.67 124.91 1ka9 s ASP 32 Ca 0.15 0.50 0.08 0.00 0.43 0.00 0.00 52.55 53.71 1ka9 s ASP 32 Cb 0.10 -2.45 0.78 0.00 -0.30 0.00 0.00 42.92 41.05 1ka9 s ASP 32 CO 0.14 -0.86 1.86 -0.65 -0.17 0.00 0.00 175.17 175.49 1ka9 h PRO 33 N 8.54 0.71 -0.24 4.34 0.11 -1.89 -0.58 132.00 143.00 1ka9 h PRO 33 Ca -0.23 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 1ka9 h PRO 33 Cb 1.08 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 1ka9 h PRO 33 CO 0.98 0.47 0.01 0.28 -0.21 0.00 0.00 178.00 179.52 1ka9 h VAL 34 N 0.73 1.25 -0.42 3.15 2.07 -1.92 0.61 116.25 121.73 1ka9 h VAL 34 Ca 0.46 -0.87 -0.13 0.00 0.82 0.00 0.00 66.70 66.98 1ka9 h VAL 34 Cb 0.70 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1ka9 h VAL 34 CO -0.22 0.27 -0.27 -0.08 0.02 0.00 0.00 177.57 177.29 1ka9 h GLU 35 N 0.19 0.89 -0.65 1.57 4.81 -1.78 -1.76 114.58 117.86 1ka9 h GLU 35 Ca 0.07 -0.40 -0.08 0.00 -0.13 0.00 0.00 59.36 58.82 1ka9 h GLU 35 Cb 0.39 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1ka9 h GLU 35 CO 0.01 1.05 0.11 0.00 -0.73 0.00 0.00 179.01 179.45 1ka9 h ALA 36 N 0.93 0.86 -0.70 2.92 0.00 -1.04 -1.76 119.26 120.46 1ka9 h ALA 36 Ca 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1ka9 h ALA 36 Cb 0.83 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1ka9 h ALA 36 CO 0.07 0.62 0.32 0.00 0.00 0.00 0.00 179.25 180.26 1ka9 h ALA 37 N 1.04 0.90 -0.47 0.00 0.00 -0.65 -1.71 119.26 118.37 1ka9 h ALA 37 Ca 0.20 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1ka9 h ALA 37 Cb 0.43 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1ka9 h ALA 37 CO 0.01 0.49 0.04 0.00 0.00 0.00 0.00 179.25 179.79 1ka9 h ARG 38 N 0.98 0.80 -0.82 0.00 2.47 -1.08 -2.09 114.38 114.64 1ka9 h ARG 38 Ca 0.24 -0.23 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 1ka9 h ARG 38 Cb 0.15 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.35 1ka9 h ARG 38 CO -0.03 0.83 0.41 0.00 0.56 0.00 0.00 179.97 181.75 1ka9 h ALA 39 N 0.94 1.18 -0.34 0.04 0.00 -1.09 -0.92 119.26 119.07 1ka9 h ALA 39 Ca 0.14 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1ka9 h ALA 39 Cb 0.45 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ka9 h ALA 39 CO 0.02 0.63 -0.23 1.88 0.00 0.00 0.00 179.25 181.55 1ka9 h TYR 40 N 1.16 0.74 -0.06 0.00 0.99 -1.17 -0.61 116.97 118.03 1ka9 h TYR 40 Ca 0.29 -0.16 -0.00 0.00 2.00 0.00 0.00 58.73 60.85 1ka9 h TYR 40 Cb 0.08 -0.18 -0.00 0.00 1.00 0.00 0.00 36.73 37.63 1ka9 h TYR 40 CO 0.01 0.83 0.02 0.22 -0.00 0.00 0.00 178.16 179.24 1ka9 h ASP 41 N 0.58 0.08 0.22 3.88 3.58 -0.90 -1.28 116.42 122.59 1ka9 h ASP 41 Ca 0.08 -0.18 -0.03 0.00 0.42 0.00 0.00 57.03 57.32 1ka9 h ASP 41 Cb 0.70 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.72 1ka9 h ASP 41 CO 0.05 0.24 -0.13 -0.33 -2.88 0.00 0.00 179.24 176.19 1ka9 h GLU 42 N -0.08 0.00 0.00 0.28 5.08 -1.00 -1.65 114.58 117.21 1ka9 h GLU 42 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ka9 h GLU 42 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1ka9 h GLU 42 CO -0.00 0.13 0.00 0.00 -1.00 0.00 0.00 179.01 178.14 1ka9 n ALA 43 N -2.40 2.26 0.00 3.43 0.00 -0.25 -4.91 120.51 118.64 1ka9 n ALA 43 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1ka9 n ALA 43 Cb 0.22 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1ka9 n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ka9 n GLY 44 N 1.34 1.19 3.77 0.00 0.00 -0.62 -3.77 105.19 107.10 1ka9 n GLY 44 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1ka9 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ka9 s ALA 45 N -2.00 3.30 -0.11 4.61 0.00 -0.52 -4.92 121.76 122.11 1ka9 s ALA 45 Ca 0.00 1.51 0.16 0.00 0.00 0.00 0.00 51.96 53.63 1ka9 s ALA 45 Cb 0.00 -3.60 -0.12 0.00 0.00 0.00 0.00 23.12 19.40 1ka9 s ALA 45 CO 0.00 -1.21 0.90 -0.44 0.00 0.00 0.00 175.76 175.02 1ka9 h ASP 46 N 2.40 0.00 -4.93 0.00 3.32 -1.73 -3.45 116.42 112.03 1ka9 h ASP 46 Ca -0.51 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.55 1ka9 h ASP 46 Cb 1.26 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.69 1ka9 h ASP 46 CO 0.61 0.61 0.27 -1.61 -1.72 0.00 0.00 179.24 177.40 1ka9 s GLU 47 N -2.90 1.21 0.01 3.56 2.02 -1.25 -4.39 118.70 116.96 1ka9 s GLU 47 Ca -0.02 -0.46 0.07 0.00 0.02 0.00 0.00 54.97 54.58 1ka9 s GLU 47 Cb 0.09 0.54 -0.02 0.00 0.10 0.00 0.00 34.13 34.84 1ka9 s GLU 47 CO 0.80 -0.53 -0.22 -0.51 0.02 0.00 0.00 175.26 174.83 1ka9 s LEU 48 N -2.71 2.09 -0.15 1.80 1.43 -0.68 -3.60 118.68 116.88 1ka9 s LEU 48 Ca 0.02 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1ka9 s LEU 48 Cb -0.01 -1.08 0.02 0.00 0.03 0.00 0.00 46.19 45.16 1ka9 s LEU 48 CO -0.11 0.23 -0.13 -0.69 0.23 0.00 0.00 176.35 175.88 1ka9 s VAL 49 N -0.62 1.49 -0.19 -1.59 1.01 -1.01 -0.53 120.40 118.95 1ka9 s VAL 49 Ca 0.08 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 1ka9 s VAL 49 Cb -0.09 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1ka9 s VAL 49 CO 0.00 0.42 0.05 -0.36 0.00 0.00 0.00 175.10 175.21 1ka9 s PHE 50 N 1.52 3.19 -0.15 5.22 2.99 0.88 -0.81 117.98 130.82 1ka9 s PHE 50 Ca 0.04 -0.04 0.02 0.00 0.00 0.00 0.00 56.93 56.95 1ka9 s PHE 50 Cb -0.13 -2.08 0.01 0.00 0.00 0.00 0.00 43.02 40.81 1ka9 s PHE 50 CO -0.10 0.06 -0.20 -0.51 -0.00 0.00 0.00 175.22 174.47 1ka9 s LEU 51 N 0.53 2.21 -0.37 -0.37 1.43 -0.63 -0.47 118.68 121.01 1ka9 s LEU 51 Ca 0.02 -0.57 -0.25 0.00 -1.03 0.00 0.00 54.13 52.30 1ka9 s LEU 51 Cb -0.13 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.62 1ka9 s LEU 51 CO 0.01 0.07 0.86 -0.62 0.23 0.00 0.00 176.35 176.91 1ka9 s ASP 52 N 0.86 6.62 -0.13 2.29 2.15 -0.39 0.27 116.67 128.35 1ka9 s ASP 52 Ca -0.06 0.47 0.15 0.00 0.43 0.00 0.00 52.55 53.55 1ka9 s ASP 52 Cb -0.15 -2.43 0.66 0.00 -0.30 0.00 0.00 42.92 40.69 1ka9 s ASP 52 CO -0.02 -0.81 1.54 2.30 -0.17 0.00 0.00 175.17 178.01 1ka9 n ILE 53 N 5.91 1.80 -1.76 4.11 -5.35 -0.50 -4.62 119.36 118.95 1ka9 n ILE 53 Ca 0.05 -1.08 -0.41 0.00 -0.27 0.00 0.00 62.75 61.05 1ka9 n ILE 53 Cb 0.48 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 1ka9 n ILE 53 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1ka9 n SER 54 N 0.87 3.46 0.18 7.28 3.41 -1.26 -4.91 113.62 122.66 1ka9 n SER 54 Ca 0.23 1.19 0.05 0.00 -0.26 0.00 0.00 58.87 60.08 1ka9 n SER 54 Cb 0.87 -1.59 0.34 0.00 -0.26 0.00 0.00 64.21 63.56 1ka9 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ka9 h ALA 55 N 2.67 1.05 -2.81 7.33 0.00 -1.99 -3.45 119.26 122.06 1ka9 h ALA 55 Ca -0.50 -0.36 -0.63 0.00 0.00 0.00 0.00 54.91 53.42 1ka9 h ALA 55 Cb 1.26 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 1ka9 h ALA 55 CO 0.63 0.49 -0.47 0.99 0.00 0.00 0.00 179.25 180.89 1ka9 s THR 56 N -3.70 5.39 -0.79 0.00 2.01 -1.26 -5.02 115.64 112.28 1ka9 s THR 56 Ca -0.01 -0.14 0.04 0.00 0.31 0.00 0.00 61.69 61.89 1ka9 s THR 56 Cb 0.12 -3.57 0.21 0.00 0.01 0.00 0.00 72.50 69.27 1ka9 s THR 56 CO 0.69 0.28 0.83 0.00 -0.69 0.00 0.00 174.62 175.74 1ka9 n HIS 57 N 0.80 0.55 -2.20 4.92 1.44 -1.26 -4.32 115.22 115.15 1ka9 n HIS 57 Ca -0.09 -0.20 -0.01 0.00 -2.01 0.00 0.00 57.72 55.41 1ka9 n HIS 57 Cb 0.52 -0.21 -0.01 0.00 0.12 0.00 0.00 29.99 30.41 1ka9 n HIS 57 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1ka9 n GLU 58 N 0.16 0.00 -2.29 -1.40 -0.58 -1.26 -4.90 120.64 110.37 1ka9 n GLU 58 Ca 0.07 -1.27 -0.38 0.00 -0.42 0.00 0.00 57.16 55.16 1ka9 n GLU 58 Cb 0.50 0.07 0.02 0.00 -0.57 0.00 0.00 31.44 31.47 1ka9 n GLU 58 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1ka9 n GLU 59 N 0.20 3.81 0.08 3.49 1.02 -1.26 -4.75 120.64 123.23 1ka9 n GLU 59 Ca -0.06 -4.10 -0.05 0.00 -0.02 0.00 0.00 57.16 52.92 1ka9 n GLU 59 Cb 0.85 -2.34 -0.05 0.00 -0.02 0.00 0.00 31.44 29.88 1ka9 n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ka9 h ARG 60 N 3.40 0.00 -0.76 3.49 2.47 -1.93 -3.37 114.38 117.67 1ka9 h ARG 60 Ca 0.51 0.00 0.14 0.00 -1.26 0.00 0.00 59.98 59.37 1ka9 h ARG 60 Cb 0.23 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 28.46 1ka9 h ARG 60 CO 1.26 0.89 0.31 0.00 0.56 0.00 0.00 179.97 182.99 1ka9 h ALA 61 N 1.11 1.08 0.05 0.04 0.00 -2.00 -1.27 119.26 118.27 1ka9 h ALA 61 Ca -0.01 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ka9 h ALA 61 Cb 1.61 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1ka9 h ALA 61 CO 0.12 -0.20 -0.02 0.82 0.00 0.00 0.00 179.25 179.96 1ka9 h ILE 62 N 0.45 0.98 0.09 0.00 1.08 -1.99 -2.15 117.51 115.97 1ka9 h ILE 62 Ca 0.42 -0.08 0.02 0.00 -0.39 0.00 0.00 64.86 64.83 1ka9 h ILE 62 Cb 0.63 1.03 -0.03 0.00 -3.07 0.00 0.00 36.82 35.38 1ka9 h ILE 62 CO -0.40 0.02 -0.24 0.25 -0.69 0.00 0.00 178.15 177.09 1ka9 h LEU 63 N -0.10 -0.69 -0.87 1.44 6.46 -1.64 -0.94 115.31 118.96 1ka9 h LEU 63 Ca -0.01 0.08 0.16 0.00 -0.12 0.00 0.00 57.88 57.99 1ka9 h LEU 63 Cb 0.09 0.27 -0.10 0.00 -0.73 0.00 0.00 40.66 40.19 1ka9 h LEU 63 CO 0.01 -0.33 0.45 -0.07 -0.62 0.00 0.00 178.44 177.88 1ka9 h LEU 64 N -0.43 0.53 -0.49 2.25 4.07 -1.17 0.13 115.31 120.21 1ka9 h LEU 64 Ca 0.04 0.10 -0.08 0.00 0.08 0.00 0.00 57.88 58.02 1ka9 h LEU 64 Cb 0.46 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 1ka9 h LEU 64 CO -0.16 0.21 0.01 -0.78 -1.08 0.00 0.00 178.44 176.64 1ka9 h ASP 65 N 0.62 0.84 -0.30 -0.43 3.58 -0.79 -2.13 116.42 117.80 1ka9 h ASP 65 Ca 0.48 -0.30 -0.16 0.00 0.42 0.00 0.00 57.03 57.47 1ka9 h ASP 65 Cb 0.71 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.54 1ka9 h ASP 65 CO -0.38 0.94 -0.44 1.62 -2.88 0.00 0.00 179.24 178.09 1ka9 h VAL 66 N 0.72 1.28 -0.31 2.25 3.04 -0.13 -2.70 116.25 120.41 1ka9 h VAL 66 Ca 0.14 -1.63 0.04 0.00 -1.01 0.00 0.00 66.70 64.24 1ka9 h VAL 66 Cb 0.50 1.59 -0.03 0.00 -2.01 0.00 0.00 31.29 31.34 1ka9 h VAL 66 CO 0.02 0.53 0.10 0.58 -1.01 0.00 0.00 177.57 177.80 1ka9 h VAL 67 N 0.61 0.91 -0.49 1.51 2.07 -0.70 -1.47 116.25 118.67 1ka9 h VAL 67 Ca 0.03 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1ka9 h VAL 67 Cb 1.04 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1ka9 h VAL 67 CO 0.10 0.04 0.33 0.00 0.02 0.00 0.00 177.57 178.06 1ka9 h ALA 68 N 1.20 1.69 -0.13 1.67 0.00 -1.38 0.10 119.26 122.41 1ka9 h ALA 68 Ca 0.14 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1ka9 h ALA 68 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ka9 h ALA 68 CO -0.15 0.28 -0.58 0.00 0.00 0.00 0.00 179.25 178.80 1ka9 h ARG 69 N 0.63 0.43 -0.36 0.00 3.08 -0.99 -2.97 114.38 114.20 1ka9 h ARG 69 Ca 0.19 -0.28 -0.16 0.00 0.07 0.00 0.00 59.98 59.79 1ka9 h ARG 69 Cb -0.02 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1ka9 h ARG 69 CO -0.04 0.89 -0.40 0.28 -1.07 0.00 0.00 179.97 179.63 1ka9 h VAL 70 N 0.32 1.27 0.00 2.04 2.07 -0.49 -3.13 116.25 118.34 1ka9 h VAL 70 Ca -0.00 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 1ka9 h VAL 70 Cb 1.11 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1ka9 h VAL 70 CO 0.10 0.52 -0.03 0.00 0.02 0.00 0.00 177.57 178.19 1ka9 h ALA 71 N 0.75 1.15 -0.01 1.67 0.00 -0.87 0.22 119.26 122.17 1ka9 h ALA 71 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ka9 h ALA 71 Cb 0.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ka9 h ALA 71 CO 0.10 0.03 -0.31 -0.85 0.00 0.00 0.00 179.25 178.22 1ka9 n GLU 72 N -3.33 0.88 0.00 0.00 0.28 -1.14 -4.36 120.64 112.97 1ka9 n GLU 72 Ca -0.02 -0.57 0.00 0.00 -0.16 0.00 0.00 57.16 56.40 1ka9 n GLU 72 Cb 0.15 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.53 1ka9 n GLU 72 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1ka9 n ARG 73 N -0.56 2.50 -4.24 3.44 5.12 -0.81 -5.03 116.66 117.08 1ka9 n ARG 73 Ca 0.11 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.69 1ka9 n ARG 73 Cb 0.37 -0.87 -0.13 0.00 -1.16 0.00 0.00 32.46 30.66 1ka9 n ARG 73 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ka9 s VAL 74 N -1.66 3.48 -0.37 1.55 1.01 0.70 -5.02 120.40 120.10 1ka9 s VAL 74 Ca 0.00 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.56 1ka9 s VAL 74 Cb 0.00 -2.55 0.53 0.00 0.00 0.00 0.00 36.38 34.37 1ka9 s VAL 74 CO 0.00 0.46 1.60 0.49 0.00 0.00 0.00 175.10 177.65 1ka9 n PHE 75 N 4.16 1.89 -4.20 5.22 3.01 -1.26 -4.62 117.46 121.66 1ka9 n PHE 75 Ca -0.18 -1.87 -0.23 0.00 1.01 0.00 0.00 57.45 56.19 1ka9 n PHE 75 Cb 0.52 -0.68 -0.06 0.00 -0.01 0.00 0.00 39.48 39.25 1ka9 n PHE 75 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 1ka9 s ILE 76 N -3.54 3.98 0.39 4.37 -4.36 -1.26 -5.08 121.20 115.71 1ka9 s ILE 76 Ca 0.50 -1.62 -0.26 0.00 -0.26 0.00 0.00 60.65 59.00 1ka9 s ILE 76 Cb 0.43 -3.14 -0.11 0.00 1.25 0.00 0.00 42.46 40.90 1ka9 s ILE 76 CO 0.02 -0.35 1.26 -2.65 0.24 0.00 0.00 174.94 173.46 1ka9 n PRO 77 N -1.00 1.95 -4.17 0.37 -0.02 -1.26 -4.85 135.00 126.02 1ka9 n PRO 77 Ca -0.07 0.69 -0.32 0.00 -2.02 0.00 0.00 63.50 61.78 1ka9 n PRO 77 Cb 0.58 -2.33 -0.16 0.00 -0.02 0.00 0.00 33.50 31.56 1ka9 n PRO 77 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1ka9 s LEU 78 N -1.36 1.94 -0.17 2.45 2.96 -1.26 -1.68 118.68 121.57 1ka9 s LEU 78 Ca 0.59 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1ka9 s LEU 78 Cb -0.53 -1.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1ka9 s LEU 78 CO 0.59 -0.01 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.70 1ka9 s THR 79 N 1.29 3.98 -0.12 3.68 2.01 0.31 -0.65 115.64 126.13 1ka9 s THR 79 Ca 0.03 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 61.72 1ka9 s THR 79 Cb -0.13 -2.76 -0.01 0.00 0.01 0.00 0.00 72.50 69.61 1ka9 s THR 79 CO -0.10 0.48 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.45 1ka9 s VAL 80 N 0.47 2.68 0.28 3.82 1.01 -0.71 -0.08 120.40 127.86 1ka9 s VAL 80 Ca -0.03 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1ka9 s VAL 80 Cb -0.14 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1ka9 s VAL 80 CO 0.02 0.54 0.16 -0.83 0.00 0.00 0.00 175.10 174.99 1ka9 s GLY 81 N 0.33 1.91 0.00 4.51 0.00 0.37 -0.93 107.32 113.51 1ka9 s GLY 81 Ca -0.14 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.79 1ka9 s GLY 81 CO 0.07 -1.53 0.00 0.61 0.00 0.00 0.00 173.10 172.24 1ka9 n GLY 82 N -0.50 0.81 2.32 0.20 0.00 -1.26 -1.26 105.19 105.50 1ka9 n GLY 82 Ca 0.02 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 1ka9 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ka9 n GLY 83 N 0.28 0.01 3.49 -0.02 0.00 -1.26 -4.64 105.19 103.05 1ka9 n GLY 83 Ca 0.00 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1ka9 n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ka9 s VAL 84 N -2.74 4.21 -2.14 1.61 1.01 -1.26 -4.84 120.40 116.24 1ka9 s VAL 84 Ca 0.10 -0.05 0.21 0.00 0.00 0.00 0.00 61.98 62.24 1ka9 s VAL 84 Cb -0.04 -4.71 0.04 0.00 0.00 0.00 0.00 36.38 31.67 1ka9 s VAL 84 CO 0.12 -1.47 1.08 0.54 0.00 0.00 0.00 175.10 175.37 1ka9 n ARG 85 N 8.02 1.53 -3.81 2.72 1.74 -1.26 -4.70 116.66 120.90 1ka9 n ARG 85 Ca -0.01 -1.19 -0.05 0.00 -0.77 0.00 0.00 57.85 55.83 1ka9 n ARG 85 Cb 0.47 -1.43 -0.00 0.00 -1.02 0.00 0.00 32.46 30.47 1ka9 n ARG 85 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ka9 s SER 86 N -2.21 -0.13 0.57 0.55 1.04 -1.26 -5.01 113.70 107.24 1ka9 s SER 86 Ca 0.20 -0.62 0.32 0.00 0.48 0.00 0.00 55.95 56.32 1ka9 s SER 86 Cb 0.17 0.60 1.70 0.00 0.10 0.00 0.00 66.02 68.59 1ka9 s SER 86 CO 0.47 -1.15 2.16 0.25 0.98 0.00 0.00 173.24 175.94 1ka9 h LEU 87 N 2.00 0.00 0.02 2.42 6.46 -1.97 -2.42 115.31 121.83 1ka9 h LEU 87 Ca -0.25 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.51 1ka9 h LEU 87 Cb 1.24 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.17 1ka9 h LEU 87 CO 0.29 0.06 -0.01 -0.33 -0.62 0.00 0.00 178.44 177.84 1ka9 h GLU 88 N 0.00 -0.03 -0.49 1.25 3.07 -2.00 -2.64 114.58 113.74 1ka9 h GLU 88 Ca -0.00 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.96 1ka9 h GLU 88 Cb 0.23 0.01 -0.09 0.00 -0.84 0.00 0.00 28.75 28.05 1ka9 h GLU 88 CO 0.01 0.62 -0.08 -0.44 -1.40 0.00 0.00 179.01 177.71 1ka9 h ASP 89 N -0.72 -0.38 0.09 1.42 3.32 -1.84 -1.80 116.42 116.52 1ka9 h ASP 89 Ca -0.00 0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1ka9 h ASP 89 Cb 0.66 0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1ka9 h ASP 89 CO 0.01 -0.13 -0.05 0.00 -1.72 0.00 0.00 179.24 177.35 1ka9 h ALA 90 N 1.48 -0.13 -0.80 3.45 0.00 -1.55 -2.09 119.26 119.62 1ka9 h ALA 90 Ca 0.24 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.23 1ka9 h ALA 90 Cb 0.37 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.11 1ka9 h ALA 90 CO -0.48 -0.50 0.32 -0.09 0.00 0.00 0.00 179.25 178.49 1ka9 h ARG 91 N -0.26 0.41 -0.35 0.00 2.43 -1.06 0.37 114.38 115.92 1ka9 h ARG 91 Ca -0.01 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1ka9 h ARG 91 Cb 0.22 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1ka9 h ARG 91 CO 0.02 0.27 0.18 0.87 -1.51 0.00 0.00 179.97 179.80 1ka9 h LYS 92 N 0.42 0.50 -0.10 0.20 1.57 -1.16 0.15 116.57 118.15 1ka9 h LYS 92 Ca 0.46 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 1ka9 h LYS 92 Cb 0.76 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 1ka9 h LYS 92 CO -0.45 0.45 0.03 -0.07 -0.57 0.00 0.00 179.45 178.83 1ka9 h LEU 93 N 0.44 0.16 -0.97 2.94 3.38 -0.44 -1.79 115.31 119.02 1ka9 h LEU 93 Ca 0.12 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1ka9 h LEU 93 Cb 0.10 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1ka9 h LEU 93 CO -0.02 0.35 -0.03 -0.07 0.09 0.00 0.00 178.44 178.76 1ka9 h LEU 94 N -0.04 0.69 -1.23 1.67 3.38 -0.26 -2.45 115.31 117.06 1ka9 h LEU 94 Ca 0.03 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1ka9 h LEU 94 Cb 0.25 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1ka9 h LEU 94 CO 0.00 0.77 -0.32 -0.07 0.09 0.00 0.00 178.44 178.91 1ka9 h LEU 95 N 0.67 0.00 -0.28 1.67 4.07 -0.60 -3.03 115.31 117.81 1ka9 h LEU 95 Ca 0.13 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.00 1ka9 h LEU 95 Cb 0.45 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 1ka9 h LEU 95 CO 0.02 0.32 -0.42 0.28 -1.08 0.00 0.00 178.44 177.56 1ka9 h SER 96 N 0.00 0.00 0.00 -0.43 0.02 -0.88 -3.47 113.55 108.80 1ka9 h SER 96 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ka9 h SER 96 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1ka9 h SER 96 CO 0.04 0.42 0.00 0.61 -1.14 0.00 0.00 176.83 176.76 1ka9 n GLY 97 N 0.94 -0.38 3.80 -3.77 0.00 -1.14 -3.71 105.19 100.92 1ka9 n GLY 97 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1ka9 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ka9 s ALA 98 N 0.00 2.71 -0.15 4.61 0.00 -0.97 -4.80 121.76 123.16 1ka9 s ALA 98 Ca 0.00 0.41 0.09 0.00 0.00 0.00 0.00 51.96 52.46 1ka9 s ALA 98 Cb 0.00 -3.24 -0.16 0.00 0.00 0.00 0.00 23.12 19.72 1ka9 s ALA 98 CO 0.00 -0.86 -0.01 -0.25 0.00 0.00 0.00 175.76 174.64 1ka9 n ASP 99 N -2.07 1.87 -4.01 0.00 9.92 0.18 -4.50 116.55 117.94 1ka9 n ASP 99 Ca 0.09 -0.03 -0.10 0.00 -0.53 0.00 0.00 54.79 54.22 1ka9 n ASP 99 Cb 0.53 0.50 -0.11 0.00 -0.64 0.00 0.00 41.12 41.40 1ka9 n ASP 99 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1ka9 s LYS 100 N -2.34 0.39 0.05 -1.24 1.02 -1.04 -4.55 119.74 112.02 1ka9 s LYS 100 Ca -0.12 -0.69 0.09 0.00 0.02 0.00 0.00 55.97 55.27 1ka9 s LYS 100 Cb 0.05 -0.01 -0.03 0.00 -0.52 0.00 0.00 37.83 37.32 1ka9 s LYS 100 CO 0.52 -0.02 -0.26 0.14 -0.92 0.00 0.00 175.35 174.81 1ka9 s VAL 101 N -1.56 2.19 -0.27 3.17 -7.23 -0.58 -1.74 120.40 114.37 1ka9 s VAL 101 Ca -0.13 -1.38 -0.09 0.00 -1.81 0.00 0.00 61.98 58.57 1ka9 s VAL 101 Cb -0.09 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 1ka9 s VAL 101 CO -0.01 0.36 0.13 -0.55 -0.31 0.00 0.00 175.10 174.72 1ka9 s SER 102 N -1.26 5.55 -0.09 4.85 0.15 -0.11 -1.38 113.70 121.41 1ka9 s SER 102 Ca 0.12 -0.16 -0.04 0.00 0.70 0.00 0.00 55.95 56.57 1ka9 s SER 102 Cb -0.10 -2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.16 1ka9 s SER 102 CO 0.02 -0.06 0.08 0.68 1.20 0.00 0.00 173.24 175.16 1ka9 s VAL 103 N 1.68 4.92 0.00 4.45 -7.23 -0.35 -4.20 120.40 119.67 1ka9 s VAL 103 Ca 0.06 -0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.19 1ka9 s VAL 103 Cb -0.16 -3.13 0.00 0.00 0.56 0.00 0.00 36.38 33.66 1ka9 s VAL 103 CO 0.07 0.59 0.00 -3.20 -0.31 0.00 0.00 175.10 172.25 1ka9 n ASN 104 N 1.96 0.00 -0.31 4.85 2.85 -1.26 -1.19 115.26 122.16 1ka9 n ASN 104 Ca -0.19 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.41 1ka9 n ASN 104 Cb 0.54 0.00 0.28 0.00 1.24 0.00 0.00 39.78 41.84 1ka9 n ASN 104 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1ka9 h SER 105 N 0.00 -0.27 -0.26 1.20 0.02 -1.92 0.99 113.55 113.32 1ka9 h SER 105 Ca 0.00 0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1ka9 h SER 105 Cb 0.00 0.38 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1ka9 h SER 105 CO 0.00 -0.26 0.11 0.00 -1.14 0.00 0.00 176.83 175.54 1ka9 h ALA 106 N 1.87 1.59 -0.19 3.77 0.00 -1.93 -2.47 119.26 121.89 1ka9 h ALA 106 Ca 0.56 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.22 1ka9 h ALA 106 Cb 1.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1ka9 h ALA 106 CO -0.78 0.32 -0.47 0.00 0.00 0.00 0.00 179.25 178.32 1ka9 h ALA 107 N 1.67 0.83 0.76 0.00 0.00 -1.07 -1.51 119.26 119.94 1ka9 h ALA 107 Ca 0.11 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1ka9 h ALA 107 Cb 0.13 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ka9 h ALA 107 CO -0.01 0.66 -0.36 0.28 0.00 0.00 0.00 179.25 179.82 1ka9 h VAL 108 N 0.40 0.04 -0.87 0.00 2.07 -1.18 0.68 116.25 117.38 1ka9 h VAL 108 Ca 0.02 -0.24 0.25 0.00 0.82 0.00 0.00 66.70 67.55 1ka9 h VAL 108 Cb 0.97 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1ka9 h VAL 108 CO 0.09 0.00 0.66 0.03 0.02 0.00 0.00 177.57 178.37 1ka9 h ARG 109 N -1.25 0.00 -0.83 1.57 -0.00 -1.45 -3.27 114.38 109.16 1ka9 h ARG 109 Ca -0.10 0.00 -0.34 0.00 -0.50 0.00 0.00 59.98 59.04 1ka9 h ARG 109 Cb 0.79 0.00 -0.23 0.00 0.00 0.00 0.00 29.97 30.53 1ka9 h ARG 109 CO 0.17 0.00 -0.70 -2.13 0.00 0.00 0.00 179.97 177.31 1ka9 n ARG 110 N -4.16 0.70 -0.48 0.04 0.63 -0.57 -5.00 116.66 107.82 1ka9 n ARG 110 Ca 0.18 -2.29 0.42 0.00 -0.92 0.00 0.00 57.85 55.24 1ka9 n ARG 110 Cb 0.96 -1.40 0.66 0.00 0.45 0.00 0.00 32.46 33.13 1ka9 n ARG 110 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1ka9 h PRO 111 N 4.19 0.00 0.00 -0.14 0.13 0.31 0.26 132.00 136.75 1ka9 h PRO 111 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1ka9 h PRO 111 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1ka9 h PRO 111 CO 0.34 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.50 1ka9 n GLU 112 N -3.66 0.06 -0.08 0.86 1.02 -1.26 -1.63 120.64 115.95 1ka9 n GLU 112 Ca 0.35 0.51 -0.09 0.00 -0.02 0.00 0.00 57.16 57.91 1ka9 n GLU 112 Cb 1.77 -1.69 0.07 0.00 -0.02 0.00 0.00 31.44 31.57 1ka9 n GLU 112 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1ka9 h LEU 113 N 0.00 0.79 0.34 -4.62 5.85 -0.80 -2.60 115.31 114.27 1ka9 h LEU 113 Ca 0.00 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 1ka9 h LEU 113 Cb 0.07 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1ka9 h LEU 113 CO 0.00 1.03 -0.39 0.40 -0.34 0.00 0.00 178.44 179.14 1ka9 h ILE 114 N 0.66 0.21 -0.98 4.05 1.08 -1.53 -1.85 117.51 119.15 1ka9 h ILE 114 Ca 0.08 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.67 1ka9 h ILE 114 Cb 0.81 0.21 -0.08 0.00 -3.07 0.00 0.00 36.82 34.70 1ka9 h ILE 114 CO 0.07 0.00 0.62 -0.09 -0.69 0.00 0.00 178.15 178.06 1ka9 h ARG 115 N -0.76 0.91 -0.21 2.37 1.12 -1.47 0.02 114.38 116.35 1ka9 h ARG 115 Ca -0.02 -0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 58.77 1ka9 h ARG 115 Cb 0.70 -0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 30.45 1ka9 h ARG 115 CO -0.09 0.60 0.04 0.93 -3.11 0.00 0.00 179.97 178.34 1ka9 h GLU 116 N 0.94 0.35 -0.17 0.20 5.08 -1.12 0.17 114.58 120.02 1ka9 h GLU 116 Ca 0.49 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 1ka9 h GLU 116 Cb 0.53 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1ka9 h GLU 116 CO -0.25 0.48 0.06 -0.07 -1.00 0.00 0.00 179.01 178.23 1ka9 h LEU 117 N 0.16 0.23 -1.57 1.33 3.38 -0.85 -1.53 115.31 116.47 1ka9 h LEU 117 Ca 0.07 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1ka9 h LEU 117 Cb 0.30 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1ka9 h LEU 117 CO 0.00 0.34 -0.03 0.00 0.09 0.00 0.00 178.44 178.85 1ka9 h ALA 118 N 0.90 1.65 -0.50 1.53 0.00 -0.95 0.11 119.26 122.00 1ka9 h ALA 118 Ca 0.06 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1ka9 h ALA 118 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1ka9 h ALA 118 CO -0.00 0.26 -0.16 -0.44 0.00 0.00 0.00 179.25 178.90 1ka9 h ASP 119 N 0.23 1.01 0.03 0.00 3.32 -0.18 -1.19 116.42 119.63 1ka9 h ASP 119 Ca 0.05 -0.36 -0.23 0.00 0.02 0.00 0.00 57.03 56.52 1ka9 h ASP 119 Cb 0.21 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1ka9 h ASP 119 CO 0.01 1.15 -1.22 0.45 -1.72 0.00 0.00 179.24 177.90 1ka9 h HIS 120 N 0.87 0.11 -0.00 4.55 3.86 -0.70 -3.41 115.15 120.43 1ka9 h HIS 120 Ca 0.12 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1ka9 h HIS 120 Cb 0.73 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.20 1ka9 h HIS 120 CO 0.05 1.48 -0.70 1.19 0.86 0.00 0.00 177.93 180.80 1ka9 n PHE 121 N -4.28 0.00 0.00 2.45 3.01 0.32 -5.09 117.46 113.86 1ka9 n PHE 121 Ca -0.29 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.17 1ka9 n PHE 121 Cb 0.73 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.20 1ka9 n PHE 121 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ka9 n GLY 122 N 1.37 2.11 0.35 1.37 0.00 -0.45 -4.57 105.19 105.37 1ka9 n GLY 122 Ca 0.05 -1.80 0.06 0.00 0.00 0.00 0.00 46.02 44.32 1ka9 n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ka9 h ALA 123 N 0.00 1.66 0.00 4.61 0.00 -1.78 -2.45 119.26 121.30 1ka9 h ALA 123 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ka9 h ALA 123 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1ka9 h ALA 123 CO 0.00 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1ka9 n GLN 124 N -4.48 0.17 0.00 0.00 -0.00 -1.26 -2.06 117.38 109.75 1ka9 n GLN 124 Ca 0.11 0.15 0.06 0.00 -0.00 0.00 0.00 57.00 57.32 1ka9 n GLN 124 Cb 0.21 -1.50 0.04 0.00 -0.00 0.00 0.00 30.24 28.99 1ka9 n GLN 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ka9 n ALA 125 N -1.21 2.64 -3.51 2.61 0.00 -0.92 -4.80 120.51 115.32 1ka9 n ALA 125 Ca 0.05 -0.56 -0.35 0.00 0.00 0.00 0.00 53.44 52.58 1ka9 n ALA 125 Cb 0.06 -0.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.94 1ka9 n ALA 125 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ka9 s VAL 126 N -1.24 3.33 -0.19 0.00 1.01 -0.88 -1.53 120.40 120.90 1ka9 s VAL 126 Ca 0.13 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 1ka9 s VAL 126 Cb 0.10 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1ka9 s VAL 126 CO 0.21 0.26 -0.05 -0.69 0.00 0.00 0.00 175.10 174.83 1ka9 s VAL 127 N 1.43 3.48 -0.34 2.92 1.01 -0.48 -1.25 120.40 127.18 1ka9 s VAL 127 Ca 0.03 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 1ka9 s VAL 127 Cb -0.16 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 1ka9 s VAL 127 CO -0.02 0.45 0.34 -0.22 0.00 0.00 0.00 175.10 175.65 1ka9 s LEU 128 N 1.01 4.42 -0.07 3.92 2.96 0.41 -1.21 118.68 130.12 1ka9 s LEU 128 Ca 0.00 -0.23 -0.16 0.00 -0.22 0.00 0.00 54.13 53.52 1ka9 s LEU 128 Cb -0.15 -2.31 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 1ka9 s LEU 128 CO 0.00 -0.31 0.41 0.00 -1.32 0.00 0.00 176.35 175.14 1ka9 s ALA 129 N 1.97 3.60 -0.09 5.97 0.00 -0.33 -0.87 121.76 132.01 1ka9 s ALA 129 Ca 0.11 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.83 1ka9 s ALA 129 Cb -0.17 -2.48 0.02 0.00 0.00 0.00 0.00 23.12 20.49 1ka9 s ALA 129 CO 0.11 0.24 -0.09 0.42 0.00 0.00 0.00 175.76 176.45 1ka9 s ILE 130 N -0.21 1.01 -0.22 0.00 1.01 0.23 -4.52 121.20 118.49 1ka9 s ILE 130 Ca 0.23 -0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.49 1ka9 s ILE 130 Cb -0.16 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 1ka9 s ILE 130 CO 0.11 0.35 0.03 -1.81 0.00 0.00 0.00 174.94 173.61 1ka9 s ASP 131 N 1.26 4.97 0.08 3.58 1.01 -1.26 -0.50 116.67 125.80 1ka9 s ASP 131 Ca -0.04 -0.19 0.06 0.00 0.71 0.00 0.00 52.55 53.09 1ka9 s ASP 131 Cb -0.14 -1.87 -0.03 0.00 1.01 0.00 0.00 42.92 41.89 1ka9 s ASP 131 CO -0.03 0.03 -0.16 0.00 0.21 0.00 0.00 175.17 175.22 1ka9 s ALA 132 N 1.21 1.34 -0.00 5.23 0.00 -0.67 -0.63 121.76 128.24 1ka9 s ALA 132 Ca 0.04 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1ka9 s ALA 132 Cb -0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 1ka9 s ALA 132 CO 0.02 0.21 -0.09 0.50 0.00 0.00 0.00 175.76 176.40 1ka9 s ARG 133 N -1.82 0.75 -0.10 0.00 3.52 -0.58 -1.27 118.95 119.45 1ka9 s ARG 133 Ca 0.01 -0.36 -0.30 0.00 -0.13 0.00 0.00 55.73 54.95 1ka9 s ARG 133 Cb -0.10 -0.72 -0.02 0.00 -1.56 0.00 0.00 34.95 32.55 1ka9 s ARG 133 CO 0.03 0.20 1.15 -1.58 -0.81 0.00 0.00 175.30 174.29 1ka9 s TRP 134 N -0.28 3.21 -0.97 5.12 0.52 -1.26 -1.14 118.94 124.14 1ka9 s TRP 134 Ca 0.03 1.28 -0.05 0.00 0.02 0.00 0.00 56.10 57.38 1ka9 s TRP 134 Cb -0.04 -3.37 0.24 0.00 -1.15 0.00 0.00 33.47 29.15 1ka9 s TRP 134 CO -0.00 -1.07 0.90 0.50 0.02 0.00 0.00 176.95 177.30 1ka9 s ARG 135 N 2.51 3.63 7.65 4.98 3.52 0.30 -4.92 118.95 136.62 1ka9 s ARG 135 Ca 0.53 -3.21 0.00 0.00 -0.13 0.00 0.00 55.73 52.92 1ka9 s ARG 135 Cb -0.22 -4.20 0.00 0.00 -1.56 0.00 0.00 34.95 28.97 1ka9 s ARG 135 CO 0.18 -1.25 0.00 0.41 -0.81 0.00 0.00 175.30 173.83 1ka9 n GLY 136 N 2.57 2.98 2.07 8.12 0.00 -1.26 -1.56 105.19 118.11 1ka9 n GLY 136 Ca 0.22 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1ka9 n GLY 136 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ka9 n ASP 137 N 9.35 5.80 -3.98 1.61 9.92 -1.26 -4.89 116.55 133.10 1ka9 n ASP 137 Ca 0.00 -3.77 -0.29 0.00 -0.53 0.00 0.00 54.79 50.20 1ka9 n ASP 137 Cb 0.00 -0.66 -0.16 0.00 -0.64 0.00 0.00 41.12 39.65 1ka9 n ASP 137 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1ka9 s PHE 138 N -3.65 2.06 -0.69 1.24 5.36 -0.60 -5.08 117.98 116.63 1ka9 s PHE 138 Ca 0.56 -1.22 -0.24 0.00 -0.96 0.00 0.00 56.93 55.07 1ka9 s PHE 138 Cb 0.45 -1.51 0.06 0.00 -0.34 0.00 0.00 43.02 41.68 1ka9 s PHE 138 CO 0.02 -0.66 1.07 -1.25 -1.46 0.00 0.00 175.22 172.94 1ka9 s PRO 139 N 1.52 3.14 -0.16 10.12 0.04 -1.26 0.11 135.00 148.50 1ka9 s PRO 139 Ca 0.03 -0.63 -0.16 0.00 0.04 0.00 0.00 61.00 60.28 1ka9 s PRO 139 Cb -0.14 -4.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.15 1ka9 s PRO 139 CO -0.09 -1.93 0.37 -2.00 0.04 0.00 0.00 177.00 173.39 1ka9 s GLU 140 N 4.65 4.26 0.20 4.56 2.12 -0.29 -0.60 118.70 133.60 1ka9 s GLU 140 Ca 0.27 0.22 -0.30 0.00 0.36 0.00 0.00 54.97 55.52 1ka9 s GLU 140 Cb -0.14 -3.46 -0.09 0.00 0.26 0.00 0.00 34.13 30.71 1ka9 s GLU 140 CO 0.12 0.15 1.31 0.08 -0.54 0.00 0.00 175.26 176.38 1ka9 s VAL 141 N 0.71 3.21 0.03 3.70 1.01 -0.53 -1.52 120.40 127.01 1ka9 s VAL 141 Ca 0.20 1.00 0.08 0.00 0.00 0.00 0.00 61.98 63.26 1ka9 s VAL 141 Cb -0.14 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1ka9 s VAL 141 CO 0.07 0.15 -0.24 -1.00 0.00 0.00 0.00 175.10 174.08 1ka9 s HIS 142 N 0.11 2.11 0.40 5.22 3.76 0.19 -2.58 115.29 124.50 1ka9 s HIS 142 Ca 0.57 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 55.10 1ka9 s HIS 142 Cb -0.36 -1.28 0.02 0.00 1.11 0.00 0.00 32.58 32.07 1ka9 s HIS 142 CO 0.38 0.09 0.19 1.33 -0.85 0.00 0.00 174.74 175.88 1ka9 n VAL 143 N 1.93 0.00 -3.63 -0.90 0.24 -0.21 -4.30 118.33 111.46 1ka9 n VAL 143 Ca -0.17 -1.70 -0.23 0.00 -2.04 0.00 0.00 64.34 60.21 1ka9 n VAL 143 Cb 0.52 0.05 0.01 0.00 -1.47 0.00 0.00 33.84 32.96 1ka9 n VAL 143 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ka9 n ALA 144 N -2.01 -2.66 -3.17 2.33 0.00 -1.26 0.63 120.51 114.37 1ka9 n ALA 144 Ca -0.14 -0.23 -0.20 0.00 0.00 0.00 0.00 53.44 52.87 1ka9 n ALA 144 Cb 0.47 -1.93 0.05 0.00 0.00 0.00 0.00 19.45 18.04 1ka9 n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ka9 n GLY 145 N -1.73 -0.34 3.45 0.00 0.00 -1.26 -2.44 105.19 102.87 1ka9 n GLY 145 Ca -0.17 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1ka9 n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ka9 n GLY 146 N -1.61 -0.44 0.64 -0.02 0.00 -0.86 -4.93 105.19 97.97 1ka9 n GLY 146 Ca -0.05 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 1ka9 n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ka9 n ARG 147 N -4.66 0.19 -2.97 1.61 5.12 0.20 -4.86 116.66 111.30 1ka9 n ARG 147 Ca -0.02 0.08 -0.43 0.00 -1.93 0.00 0.00 57.85 55.55 1ka9 n ARG 147 Cb 0.57 -0.86 -0.05 0.00 -1.16 0.00 0.00 32.46 30.95 1ka9 n ARG 147 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ka9 s VAL 148 N -2.17 4.63 0.51 1.55 1.01 -0.53 -4.87 120.40 120.54 1ka9 s VAL 148 Ca -0.13 0.29 -0.21 0.00 0.00 0.00 0.00 61.98 61.93 1ka9 s VAL 148 Cb 0.05 -4.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 1ka9 s VAL 148 CO 0.16 -0.79 1.19 -2.16 0.00 0.00 0.00 175.10 173.50 1ka9 s PRO 149 N 3.31 3.46 0.00 2.72 0.04 -1.26 -1.05 135.00 142.22 1ka9 s PRO 149 Ca 0.28 1.80 0.01 0.00 0.04 0.00 0.00 61.00 63.13 1ka9 s PRO 149 Cb -0.13 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1ka9 s PRO 149 CO 0.21 -0.80 0.35 0.25 0.04 0.00 0.00 177.00 177.04 1ka9 n THR 150 N -0.93 0.00 -1.09 1.26 -2.24 -1.06 -4.90 114.28 105.32 1ka9 n THR 150 Ca 0.10 -0.49 -0.03 0.00 -2.27 0.00 0.00 64.05 61.36 1ka9 n THR 150 Cb 0.49 1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.72 1ka9 n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ka9 n GLY 151 N 0.47 0.55 3.78 3.38 0.00 -1.26 -4.99 105.19 107.11 1ka9 n GLY 151 Ca 0.01 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1ka9 n GLY 151 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ka9 s LEU 152 N -0.68 4.38 -0.19 0.99 2.96 -1.26 -5.00 118.68 119.87 1ka9 s LEU 152 Ca 0.00 0.85 -0.29 0.00 -0.22 0.00 0.00 54.13 54.48 1ka9 s LEU 152 Cb 0.00 -2.60 0.00 0.00 0.50 0.00 0.00 46.19 44.10 1ka9 s LEU 152 CO 0.00 0.18 1.01 -2.28 -1.32 0.00 0.00 176.35 173.94 1ka9 s HIS 153 N -0.29 3.39 0.25 5.38 5.65 -1.26 -1.46 115.29 126.95 1ka9 s HIS 153 Ca 0.23 1.47 -0.06 0.00 0.25 0.00 0.00 55.06 56.96 1ka9 s HIS 153 Cb -0.16 -3.22 0.47 0.00 -1.18 0.00 0.00 32.58 28.50 1ka9 s HIS 153 CO 0.11 -0.39 1.64 0.00 -0.65 0.00 0.00 174.74 175.44 1ka9 h ALA 154 N 7.36 0.85 -0.25 1.58 0.00 -1.20 0.32 119.26 127.91 1ka9 h ALA 154 Ca -0.23 0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1ka9 h ALA 154 Cb 1.09 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1ka9 h ALA 154 CO 0.93 -0.43 -0.08 0.28 0.00 0.00 0.00 179.25 179.95 1ka9 h VAL 155 N 0.12 1.29 -0.35 0.00 2.07 -1.93 -1.63 116.25 115.82 1ka9 h VAL 155 Ca 0.43 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 1ka9 h VAL 155 Cb 0.78 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1ka9 h VAL 155 CO -0.67 0.35 0.06 -0.33 0.02 0.00 0.00 177.57 177.00 1ka9 h GLU 156 N 0.24 0.57 -0.51 1.57 5.08 -1.79 0.01 114.58 119.75 1ka9 h GLU 156 Ca 0.06 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1ka9 h GLU 156 Cb 0.56 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1ka9 h GLU 156 CO 0.03 0.64 0.27 2.35 -1.00 0.00 0.00 179.01 181.29 1ka9 h TRP 157 N 0.41 0.49 0.33 4.33 -0.00 -0.97 0.74 115.95 121.27 1ka9 h TRP 157 Ca 0.11 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 59.00 1ka9 h TRP 157 Cb 0.34 -0.15 -0.00 0.00 -0.00 0.00 0.00 29.16 29.35 1ka9 h TRP 157 CO 0.02 0.25 -0.19 0.00 -0.00 0.00 0.00 178.44 178.52 1ka9 h ALA 158 N 1.26 -0.48 -0.79 2.65 0.00 -1.03 1.92 119.26 122.79 1ka9 h ALA 158 Ca 0.22 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1ka9 h ALA 158 Cb 0.11 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1ka9 h ALA 158 CO -0.14 -0.78 0.50 0.28 0.00 0.00 0.00 179.25 179.11 1ka9 h VAL 159 N -0.49 1.10 -0.10 0.00 2.07 -0.65 0.49 116.25 118.68 1ka9 h VAL 159 Ca -0.04 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1ka9 h VAL 159 Cb 0.39 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1ka9 h VAL 159 CO 0.05 0.18 0.05 0.50 0.02 0.00 0.00 177.57 178.36 1ka9 h LYS 160 N 0.96 0.14 -0.82 1.57 1.63 0.12 -1.72 116.57 118.45 1ka9 h LYS 160 Ca 0.32 -0.02 0.08 0.00 -0.85 0.00 0.00 60.65 60.19 1ka9 h LYS 160 Cb 0.04 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.59 1ka9 h LYS 160 CO -0.12 0.19 0.53 0.78 -3.45 0.00 0.00 179.45 177.38 1ka9 h GLY 161 N 0.05 1.12 0.96 5.01 0.00 0.36 -2.21 103.07 108.37 1ka9 h GLY 161 Ca 0.03 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 1ka9 h GLY 161 CO -0.00 0.22 -0.10 -2.08 0.00 0.00 0.00 176.54 174.57 1ka9 h VAL 162 N 0.82 1.28 -0.59 4.60 2.07 -0.56 -2.37 116.25 121.50 1ka9 h VAL 162 Ca 0.37 -1.18 0.03 0.00 0.82 0.00 0.00 66.70 66.73 1ka9 h VAL 162 Cb 0.35 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1ka9 h VAL 162 CO -0.14 0.39 0.39 -0.33 0.02 0.00 0.00 177.57 177.90 1ka9 h GLU 163 N 0.53 0.70 0.00 1.57 3.07 -0.72 -2.18 114.58 117.55 1ka9 h GLU 163 Ca 0.09 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1ka9 h GLU 163 Cb 0.61 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 1ka9 h GLU 163 CO 0.04 0.46 0.00 -0.07 -1.40 0.00 0.00 179.01 178.04 1ka9 h LEU 164 N 0.72 0.00 0.00 1.33 3.38 -1.33 -3.46 115.31 115.95 1ka9 h LEU 164 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1ka9 h LEU 164 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ka9 h LEU 164 CO -0.06 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.08 1ka9 n GLY 165 N 0.64 0.79 3.70 0.83 0.00 -0.82 -2.92 105.19 107.42 1ka9 n GLY 165 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1ka9 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ka9 s ALA 166 N -1.23 3.38 -0.53 4.61 0.00 -0.90 -4.45 121.76 122.63 1ka9 s ALA 166 Ca 0.00 0.64 0.24 0.00 0.00 0.00 0.00 51.96 52.83 1ka9 s ALA 166 Cb 0.00 -3.44 0.21 0.00 0.00 0.00 0.00 23.12 19.88 1ka9 s ALA 166 CO 0.00 -0.52 1.20 0.78 0.00 0.00 0.00 175.76 177.22 1ka9 h GLY 167 N 7.44 0.00 -4.40 0.00 0.00 -0.84 -3.43 103.07 101.84 1ka9 h GLY 167 Ca -0.37 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 1ka9 h GLY 167 CO 0.83 0.00 0.19 1.85 0.00 0.00 0.00 176.54 179.40 1ka9 s GLU 168 N -3.22 0.95 -0.13 4.80 2.12 -1.14 -4.24 118.70 117.84 1ka9 s GLU 168 Ca 0.04 0.53 -0.01 0.00 0.36 0.00 0.00 54.97 55.89 1ka9 s GLU 168 Cb 0.12 0.45 -0.02 0.00 0.26 0.00 0.00 34.13 34.95 1ka9 s GLU 168 CO 0.75 -0.24 -0.09 0.42 -0.54 0.00 0.00 175.26 175.56 1ka9 s ILE 169 N -0.60 3.40 -0.44 -3.70 -1.09 -0.79 -0.45 121.20 117.53 1ka9 s ILE 169 Ca -0.06 -0.54 -0.08 0.00 -2.23 0.00 0.00 60.65 57.73 1ka9 s ILE 169 Cb -0.02 -2.44 0.10 0.00 -1.58 0.00 0.00 42.46 38.52 1ka9 s ILE 169 CO 0.06 0.52 0.29 -0.22 -1.23 0.00 0.00 174.94 174.36 1ka9 s LEU 170 N 0.19 5.41 -0.34 2.97 0.20 -0.05 -1.05 118.68 126.01 1ka9 s LEU 170 Ca -0.05 -1.80 -0.14 0.00 0.69 0.00 0.00 54.13 52.83 1ka9 s LEU 170 Cb -0.15 -1.96 -0.02 0.00 -0.43 0.00 0.00 46.19 43.64 1ka9 s LEU 170 CO 0.04 -0.61 0.32 -0.22 -0.29 0.00 0.00 176.35 175.59 1ka9 s LEU 171 N 1.34 4.45 -0.18 -0.68 2.96 -0.64 -0.60 118.68 125.32 1ka9 s LEU 171 Ca 0.05 -0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 1ka9 s LEU 171 Cb -0.24 -2.27 -0.01 0.00 0.50 0.00 0.00 46.19 44.17 1ka9 s LEU 171 CO -0.01 -0.29 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.75 1ka9 s THR 172 N 1.91 3.15 -0.62 3.68 2.01 0.34 -1.04 115.64 125.08 1ka9 s THR 172 Ca 0.10 -0.59 -0.24 0.00 0.31 0.00 0.00 61.69 61.27 1ka9 s THR 172 Cb -0.17 -2.38 0.05 0.00 0.01 0.00 0.00 72.50 70.01 1ka9 s THR 172 CO 0.11 0.48 1.00 -0.55 -0.69 0.00 0.00 174.62 174.97 1ka9 s SER 173 N 0.96 6.25 0.48 3.53 0.15 -0.68 -1.66 113.70 122.74 1ka9 s SER 173 Ca -0.01 -0.60 0.14 0.00 0.70 0.00 0.00 55.95 56.17 1ka9 s SER 173 Cb -0.15 -2.45 1.14 0.00 -1.71 0.00 0.00 66.02 62.85 1ka9 s SER 173 CO -0.00 -1.39 2.09 0.24 1.20 0.00 0.00 173.24 175.37 1ka9 h MET 174 N 9.51 0.20 0.00 5.44 2.86 -1.52 0.13 114.93 131.55 1ka9 h MET 174 Ca -0.27 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.33 1ka9 h MET 174 Cb 1.07 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.68 1ka9 h MET 174 CO 1.15 0.13 -0.10 -0.44 1.06 0.00 0.00 176.91 178.71 1ka9 h ASP 175 N 0.21 0.00 0.00 1.22 3.45 -1.91 -3.16 116.42 116.23 1ka9 h ASP 175 Ca 0.09 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.55 1ka9 h ASP 175 Cb 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 1ka9 h ASP 175 CO -0.02 0.10 -1.52 0.54 -1.57 0.00 0.00 179.24 176.78 1ka9 n ARG 176 N -3.39 0.68 -1.68 3.56 5.12 -0.31 -4.90 116.66 115.74 1ka9 n ARG 176 Ca -0.01 -0.11 -0.52 0.00 -1.93 0.00 0.00 57.85 55.28 1ka9 n ARG 176 Cb 0.28 -1.31 -0.06 0.00 -1.16 0.00 0.00 32.46 30.21 1ka9 n ARG 176 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1ka9 n ASP 177 N -1.91 2.82 -1.23 0.55 4.64 -0.12 -1.37 116.55 119.94 1ka9 n ASP 177 Ca -0.02 1.04 -0.12 0.00 -1.38 0.00 0.00 54.79 54.31 1ka9 n ASP 177 Cb 0.35 -1.28 -0.02 0.00 -1.04 0.00 0.00 41.12 39.12 1ka9 n ASP 177 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ka9 n GLY 178 N 3.97 0.43 0.04 0.27 0.00 -1.26 -4.87 105.19 103.77 1ka9 n GLY 178 Ca 0.23 -0.40 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 1ka9 n GLY 178 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ka9 n THR 179 N -3.48 0.59 -1.26 2.61 -2.24 -0.47 -5.02 114.28 105.00 1ka9 n THR 179 Ca -0.14 -0.42 -0.09 0.00 -2.27 0.00 0.00 64.05 61.14 1ka9 n THR 179 Cb 0.53 -0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 68.18 1ka9 n THR 179 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ka9 n LYS 180 N -2.30 -0.97 -0.26 -0.78 5.02 -1.22 -4.88 118.16 112.77 1ka9 n LYS 180 Ca -0.14 0.76 0.12 0.00 -2.02 0.00 0.00 58.31 57.02 1ka9 n LYS 180 Cb 0.74 -4.76 0.26 0.00 -0.02 0.00 0.00 35.03 31.26 1ka9 n LYS 180 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ka9 n GLU 181 N -2.06 2.56 0.00 1.97 1.02 -1.06 -4.21 120.64 118.87 1ka9 n GLU 181 Ca -0.09 -2.39 0.00 0.00 -0.02 0.00 0.00 57.16 54.66 1ka9 n GLU 181 Cb 0.38 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1ka9 n GLU 181 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ka9 n GLY 182 N 1.56 2.88 3.75 0.62 0.00 0.11 -5.01 105.19 109.09 1ka9 n GLY 182 Ca 0.21 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 1ka9 n GLY 182 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ka9 s TYR 183 N -2.56 2.35 -0.92 1.61 1.51 -1.26 -4.46 117.35 113.62 1ka9 s TYR 183 Ca 0.00 1.61 -0.24 0.00 -1.01 0.00 0.00 57.07 57.43 1ka9 s TYR 183 Cb 0.00 -3.14 0.05 0.00 -0.11 0.00 0.00 41.96 38.75 1ka9 s TYR 183 CO 0.00 -2.04 1.37 0.34 -1.11 0.00 0.00 175.55 174.11 1ka9 s ASP 184 N -3.10 6.38 0.22 2.29 -1.08 -1.26 -4.86 116.67 115.26 1ka9 s ASP 184 Ca 0.63 -1.13 -0.09 0.00 -0.52 0.00 0.00 52.55 51.45 1ka9 s ASP 184 Cb -0.19 -2.56 0.18 0.00 -1.46 0.00 0.00 42.92 38.89 1ka9 s ASP 184 CO 0.55 -1.60 1.85 -0.07 0.52 0.00 0.00 175.17 176.41 1ka9 h LEU 185 N 12.77 1.00 0.47 -1.34 4.07 -1.96 -1.83 115.31 128.49 1ka9 h LEU 185 Ca 0.03 -0.08 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 1ka9 h LEU 185 Cb 1.02 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.51 1ka9 h LEU 185 CO 1.36 0.79 -0.32 0.03 -1.08 0.00 0.00 178.44 179.22 1ka9 h ARG 186 N 1.13 -0.73 -0.52 1.13 3.08 -1.99 0.21 114.38 116.69 1ka9 h ARG 186 Ca 0.29 0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.50 1ka9 h ARG 186 Cb -0.01 0.17 -0.09 0.00 0.08 0.00 0.00 29.97 30.11 1ka9 h ARG 186 CO -0.05 -0.49 -0.08 1.25 -1.07 0.00 0.00 179.97 179.53 1ka9 h LEU 187 N -0.76 -0.39 -0.23 3.04 5.85 -1.98 -1.88 115.31 118.97 1ka9 h LEU 187 Ca -0.06 0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1ka9 h LEU 187 Cb 0.62 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 1ka9 h LEU 187 CO 0.04 -0.14 0.06 0.74 -0.34 0.00 0.00 178.44 178.80 1ka9 h THR 188 N 0.04 0.91 -0.46 1.05 2.02 -1.20 -2.31 112.91 112.96 1ka9 h THR 188 Ca 0.26 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.38 1ka9 h THR 188 Cb 0.40 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1ka9 h THR 188 CO -0.50 0.03 0.27 -0.09 0.37 0.00 0.00 175.52 175.59 1ka9 h ARG 189 N 0.15 0.63 -0.74 6.66 2.43 -0.46 -0.15 114.38 122.90 1ka9 h ARG 189 Ca 0.10 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1ka9 h ARG 189 Cb 0.09 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1ka9 h ARG 189 CO -0.13 0.48 0.31 0.52 -1.51 0.00 0.00 179.97 179.64 1ka9 h MET 190 N 0.61 1.09 0.07 0.20 2.86 -1.20 -1.84 114.93 116.71 1ka9 h MET 190 Ca 0.16 -0.18 -0.25 0.00 -2.06 0.00 0.00 59.70 57.38 1ka9 h MET 190 Cb 0.02 -0.19 0.02 0.00 0.06 0.00 0.00 31.60 31.51 1ka9 h MET 190 CO -0.03 0.87 -1.01 0.28 1.06 0.00 0.00 176.91 178.08 1ka9 h VAL 191 N 1.07 1.34 -0.97 -2.22 2.07 -1.28 -3.03 116.25 113.23 1ka9 h VAL 191 Ca 0.25 -2.33 0.02 0.00 0.82 0.00 0.00 66.70 65.46 1ka9 h VAL 191 Cb 0.18 2.66 -0.05 0.00 -1.52 0.00 0.00 31.29 32.56 1ka9 h VAL 191 CO -0.02 0.70 0.64 0.00 0.02 0.00 0.00 177.57 178.91 1ka9 h ALA 192 N 0.29 1.34 0.00 1.67 0.00 -0.87 -1.75 119.26 119.94 1ka9 h ALA 192 Ca -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ka9 h ALA 192 Cb 1.71 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1ka9 h ALA 192 CO 0.20 0.60 0.00 1.49 0.00 0.00 0.00 179.25 181.53 1ka9 h GLU 193 N 1.27 0.00 0.08 0.00 4.81 -1.43 -3.28 114.58 116.03 1ka9 h GLU 193 Ca 0.37 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.33 1ka9 h GLU 193 Cb -0.09 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1ka9 h GLU 193 CO -0.09 0.00 -1.32 0.00 -0.73 0.00 0.00 179.01 176.87 1ka9 h ALA 194 N 2.15 0.29 -2.55 2.92 0.00 -1.23 -3.47 119.26 117.37 1ka9 h ALA 194 Ca 0.00 -1.03 -0.56 0.00 0.00 0.00 0.00 54.91 53.32 1ka9 h ALA 194 Cb 0.91 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 1ka9 h ALA 194 CO 0.00 1.17 -0.59 0.14 0.00 0.00 0.00 179.25 179.96 1ka9 s VAL 195 N -2.65 4.10 -0.42 0.00 -7.23 -0.73 -4.89 120.40 108.57 1ka9 s VAL 195 Ca -0.04 -1.39 0.05 0.00 -1.81 0.00 0.00 61.98 58.79 1ka9 s VAL 195 Cb 0.08 -3.13 0.69 0.00 0.56 0.00 0.00 36.38 34.58 1ka9 s VAL 195 CO 0.85 -0.21 1.89 0.61 -0.31 0.00 0.00 175.10 177.93 1ka9 n GLY 196 N -0.57 4.29 3.30 2.32 0.00 -1.26 -4.90 105.19 108.38 1ka9 n GLY 196 Ca -0.08 -1.07 -0.16 0.00 0.00 0.00 0.00 46.02 44.70 1ka9 n GLY 196 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ka9 s VAL 197 N -3.23 1.42 0.46 1.61 -7.23 -1.26 -5.12 120.40 107.05 1ka9 s VAL 197 Ca 0.57 -2.12 -0.24 0.00 -1.81 0.00 0.00 61.98 58.37 1ka9 s VAL 197 Cb 0.47 -2.00 -0.07 0.00 0.56 0.00 0.00 36.38 35.34 1ka9 s VAL 197 CO 0.12 -0.63 1.36 -2.84 -0.31 0.00 0.00 175.10 172.80 1ka9 s PRO 198 N -3.71 3.63 -0.09 4.82 0.02 -1.26 -4.84 135.00 133.57 1ka9 s PRO 198 Ca 0.21 2.27 0.04 0.00 0.02 0.00 0.00 61.00 63.53 1ka9 s PRO 198 Cb 0.01 -2.57 -0.01 0.00 0.02 0.00 0.00 34.50 31.96 1ka9 s PRO 198 CO 0.04 -0.81 -0.21 0.08 -0.33 0.00 0.00 177.00 175.77 1ka9 s VAL 199 N -1.26 2.34 -0.31 3.83 1.01 -1.26 -1.88 120.40 122.86 1ka9 s VAL 199 Ca 0.63 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 1ka9 s VAL 199 Cb -0.41 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.09 1ka9 s VAL 199 CO 0.51 0.56 0.10 -0.63 0.00 0.00 0.00 175.10 175.63 1ka9 s ILE 200 N 0.10 3.98 0.08 2.22 1.01 -0.22 -0.99 121.20 127.39 1ka9 s ILE 200 Ca -0.10 -0.80 -0.30 0.00 0.00 0.00 0.00 60.65 59.45 1ka9 s ILE 200 Cb -0.16 -3.11 -0.06 0.00 0.01 0.00 0.00 42.46 39.15 1ka9 s ILE 200 CO 0.06 -0.00 1.16 0.00 0.00 0.00 0.00 174.94 176.16 1ka9 s ALA 201 N 1.48 3.37 -0.01 9.38 0.00 0.06 -1.62 121.76 134.41 1ka9 s ALA 201 Ca 0.02 0.82 0.01 0.00 0.00 0.00 0.00 51.96 52.80 1ka9 s ALA 201 Cb -0.18 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.53 1ka9 s ALA 201 CO 0.03 -0.38 -0.03 0.45 0.00 0.00 0.00 175.76 175.83 1ka9 s SER 202 N 0.84 0.47 0.00 0.00 0.15 -0.21 -0.72 113.70 114.23 1ka9 s SER 202 Ca 0.56 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.15 1ka9 s SER 202 Cb -0.29 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.90 1ka9 s SER 202 CO 0.30 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.35 1ka9 n GLY 203 N 3.38 0.26 0.00 9.45 0.00 -1.26 -1.68 105.19 115.34 1ka9 n GLY 203 Ca -0.18 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1ka9 n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ka9 n GLY 204 N 2.54 2.15 3.65 -0.02 0.00 -1.07 -4.22 105.19 108.22 1ka9 n GLY 204 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1ka9 n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ka9 n ALA 205 N -0.16 0.82 0.00 4.61 0.00 -1.26 0.07 120.51 124.58 1ka9 n ALA 205 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1ka9 n ALA 205 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.19 1ka9 n ALA 205 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ka9 n GLY 206 N 2.67 0.00 3.15 0.00 0.00 -1.26 -4.44 105.19 105.31 1ka9 n GLY 206 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 1ka9 n GLY 206 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ka9 s ARG 207 N -0.40 0.76 0.25 1.61 0.52 -1.26 -4.99 118.95 115.44 1ka9 s ARG 207 Ca 0.00 -1.07 -0.04 0.00 -0.52 0.00 0.00 55.73 54.10 1ka9 s ARG 207 Cb 0.00 -0.44 0.41 0.00 0.52 0.00 0.00 34.95 35.44 1ka9 s ARG 207 CO 0.00 0.07 1.80 0.52 0.02 0.00 0.00 175.30 177.71 1ka9 h MET 208 N 3.75 0.73 -0.18 3.54 2.86 -2.00 -1.54 114.93 122.09 1ka9 h MET 208 Ca -0.37 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.28 1ka9 h MET 208 Cb 1.19 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 1ka9 h MET 208 CO 0.51 0.48 0.18 1.49 1.06 0.00 0.00 176.91 180.63 1ka9 h GLU 209 N 0.75 0.00 -0.30 1.72 4.81 -2.00 -1.58 114.58 117.98 1ka9 h GLU 209 Ca 0.40 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.61 1ka9 h GLU 209 Cb 0.40 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1ka9 h GLU 209 CO -0.26 0.00 0.07 0.45 -0.73 0.00 0.00 179.01 178.54 1ka9 h HIS 210 N 0.00 0.42 -0.25 0.92 3.86 -1.70 -1.48 115.15 116.93 1ka9 h HIS 210 Ca 0.09 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.22 1ka9 h HIS 210 Cb 0.45 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 1ka9 h HIS 210 CO 0.00 0.38 -0.09 0.74 0.86 0.00 0.00 177.93 179.82 1ka9 h PHE 211 N 0.42 0.58 -0.73 2.45 -1.00 -1.41 -1.88 116.94 115.37 1ka9 h PHE 211 Ca 0.10 -0.13 0.05 0.00 2.81 0.00 0.00 57.97 60.80 1ka9 h PHE 211 Cb 0.17 -0.14 -0.05 0.00 3.61 0.00 0.00 35.95 39.54 1ka9 h PHE 211 CO 0.01 0.75 0.43 1.25 -1.61 0.00 0.00 178.31 179.13 1ka9 h LEU 212 N 0.24 0.67 -0.35 1.54 5.85 -1.47 -2.20 115.31 119.58 1ka9 h LEU 212 Ca 0.06 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1ka9 h LEU 212 Cb 0.58 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1ka9 h LEU 212 CO 0.03 0.44 0.16 -0.33 -0.34 0.00 0.00 178.44 178.40 1ka9 h GLU 213 N 0.80 0.51 -0.35 1.25 5.08 -1.14 -2.20 114.58 118.53 1ka9 h GLU 213 Ca 0.32 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1ka9 h GLU 213 Cb 0.15 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1ka9 h GLU 213 CO -0.16 0.47 0.15 0.00 -1.00 0.00 0.00 179.01 178.47 1ka9 h ALA 214 N 1.01 1.62 -0.09 3.43 0.00 -0.97 -1.68 119.26 122.57 1ka9 h ALA 214 Ca 0.12 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 1ka9 h ALA 214 Cb 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ka9 h ALA 214 CO -0.01 0.31 -0.80 0.74 0.00 0.00 0.00 179.25 179.49 1ka9 h PHE 215 N 0.49 0.77 0.00 0.00 0.05 -1.21 -2.04 116.94 114.99 1ka9 h PHE 215 Ca 0.12 -0.36 0.00 0.00 3.82 0.00 0.00 57.97 61.56 1ka9 h PHE 215 Cb 0.08 -0.11 0.00 0.00 2.00 0.00 0.00 35.95 37.92 1ka9 h PHE 215 CO 0.00 1.15 0.00 1.04 -0.18 0.00 0.00 178.31 180.33 1ka9 n GLN 216 N -3.86 0.15 0.00 1.51 6.02 -0.84 -2.34 117.38 118.01 1ka9 n GLN 216 Ca -0.06 0.26 0.13 0.00 -0.01 0.00 0.00 57.00 57.32 1ka9 n GLN 216 Cb 0.75 -1.73 0.44 0.00 1.02 0.00 0.00 30.24 30.72 1ka9 n GLN 216 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ka9 n ALA 217 N -1.69 2.91 0.00 -1.58 0.00 -0.68 -4.93 120.51 114.55 1ka9 n ALA 217 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1ka9 n ALA 217 Cb 0.30 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1ka9 n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ka9 n GLY 218 N 1.29 1.31 3.75 0.00 0.00 -0.99 -3.81 105.19 106.74 1ka9 n GLY 218 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1ka9 n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ka9 s ALA 219 N -2.04 3.58 -0.88 4.61 0.00 -0.79 -4.75 121.76 121.50 1ka9 s ALA 219 Ca 0.00 1.31 0.24 0.00 0.00 0.00 0.00 51.96 53.51 1ka9 s ALA 219 Cb 0.00 -3.53 0.24 0.00 0.00 0.00 0.00 23.12 19.82 1ka9 s ALA 219 CO 0.00 -0.72 1.21 0.39 0.00 0.00 0.00 175.76 176.64 1ka9 n GLU 220 N 1.75 0.09 -3.61 0.00 -0.58 -0.16 -4.48 120.64 113.65 1ka9 n GLU 220 Ca 0.04 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.64 1ka9 n GLU 220 Cb 0.41 -1.54 -0.06 0.00 -0.57 0.00 0.00 31.44 29.68 1ka9 n GLU 220 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ka9 s ALA 221 N -3.06 -1.29 -0.10 0.62 0.00 -1.05 -1.27 121.76 115.61 1ka9 s ALA 221 Ca 0.08 0.71 0.02 0.00 0.00 0.00 0.00 51.96 52.77 1ka9 s ALA 221 Cb 0.16 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.49 1ka9 s ALA 221 CO 0.76 -0.40 -0.16 0.00 0.00 0.00 0.00 175.76 175.96 1ka9 s ALA 222 N -1.83 1.68 -0.03 0.00 0.00 0.13 -0.76 121.76 120.95 1ka9 s ALA 222 Ca -0.09 -0.71 -0.00 0.00 0.00 0.00 0.00 51.96 51.16 1ka9 s ALA 222 Cb -0.02 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1ka9 s ALA 222 CO 0.03 0.00 0.02 -1.17 0.00 0.00 0.00 175.76 174.64 1ka9 s LEU 223 N 0.85 3.63 0.17 0.00 0.20 0.10 -0.72 118.68 122.90 1ka9 s LEU 223 Ca -0.10 0.08 -0.19 0.00 0.69 0.00 0.00 54.13 54.62 1ka9 s LEU 223 Cb -0.15 -2.00 0.04 0.00 -0.43 0.00 0.00 46.19 43.64 1ka9 s LEU 223 CO 0.01 0.31 0.52 0.00 -0.29 0.00 0.00 176.35 176.90 1ka9 s ALA 224 N -1.04 -1.17 0.00 5.97 0.00 -0.90 -4.34 121.76 120.28 1ka9 s ALA 224 Ca 0.18 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1ka9 s ALA 224 Cb -0.12 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.82 1ka9 s ALA 224 CO 0.08 -0.75 0.00 0.00 0.00 0.00 0.00 175.76 175.09 1ka9 n ALA 225 N -0.32 1.11 -0.35 0.00 0.00 -1.26 -0.37 120.51 119.32 1ka9 n ALA 225 Ca -0.14 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.45 1ka9 n ALA 225 Cb 0.64 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.43 1ka9 n ALA 225 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ka9 h SER 226 N 0.00 0.75 0.28 0.00 0.02 -1.98 0.16 113.55 112.78 1ka9 h SER 226 Ca 0.00 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1ka9 h SER 226 Cb 0.00 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1ka9 h SER 226 CO 0.00 0.22 -0.04 -0.37 -1.14 0.00 0.00 176.83 175.50 1ka9 h VAL 227 N 0.70 0.28 0.02 2.27 -1.51 -1.92 -1.41 116.25 114.68 1ka9 h VAL 227 Ca 0.60 -0.25 -0.31 0.00 -1.23 0.00 0.00 66.70 65.50 1ka9 h VAL 227 Cb 1.01 1.19 -0.04 0.00 -2.13 0.00 0.00 31.29 31.32 1ka9 h VAL 227 CO -0.41 0.04 -1.72 0.49 -1.23 0.00 0.00 177.57 174.74 1ka9 n PHE 228 N -3.40 0.76 -0.34 5.19 0.99 0.16 -0.97 117.46 119.85 1ka9 n PHE 228 Ca -0.02 0.29 0.08 0.00 -0.00 0.00 0.00 57.45 57.81 1ka9 n PHE 228 Cb 0.16 -1.08 0.27 0.00 -1.00 0.00 0.00 39.48 37.83 1ka9 n PHE 228 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1ka9 h HIS 229 N -0.82 1.08 -0.63 1.38 3.86 -0.54 -2.51 115.15 116.97 1ka9 h HIS 229 Ca -0.46 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 1ka9 h HIS 229 Cb 1.50 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 29.63 1ka9 h HIS 229 CO 0.05 0.42 0.00 1.19 0.86 0.00 0.00 177.93 180.45 1ka9 n PHE 230 N -4.61 1.75 -1.18 2.45 0.99 -0.55 -0.78 117.46 115.53 1ka9 n PHE 230 Ca 0.19 -0.65 -0.06 0.00 -0.00 0.00 0.00 57.45 56.92 1ka9 n PHE 230 Cb 0.38 -0.35 -0.03 0.00 -1.00 0.00 0.00 39.48 38.48 1ka9 n PHE 230 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ka9 n GLY 231 N 0.96 0.79 0.29 1.37 0.00 -0.95 -4.75 105.19 102.90 1ka9 n GLY 231 Ca 0.27 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1ka9 n GLY 231 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ka9 h GLU 232 N 0.21 0.96 -3.60 1.61 5.08 -1.70 -3.39 114.58 113.76 1ka9 h GLU 232 Ca -0.12 -0.33 -0.58 0.00 -1.00 0.00 0.00 59.36 57.32 1ka9 h GLU 232 Cb 0.63 -0.07 -0.40 0.00 0.50 0.00 0.00 28.75 29.41 1ka9 h GLU 232 CO 0.18 1.00 -0.76 0.42 -1.00 0.00 0.00 179.01 178.85 1ka9 s ILE 233 N -4.88 0.92 0.10 3.13 1.01 -0.14 -5.05 121.20 116.29 1ka9 s ILE 233 Ca -0.11 -1.40 -0.31 0.00 0.00 0.00 0.00 60.65 58.84 1ka9 s ILE 233 Cb 0.13 -1.68 -0.07 0.00 0.01 0.00 0.00 42.46 40.86 1ka9 s ILE 233 CO 0.85 -0.65 1.23 -2.16 0.00 0.00 0.00 174.94 174.21 1ka9 s PRO 234 N 1.60 4.43 0.26 2.79 0.04 -1.26 -4.52 135.00 138.34 1ka9 s PRO 234 Ca 0.09 1.85 -0.02 0.00 0.04 0.00 0.00 61.00 62.96 1ka9 s PRO 234 Cb -0.17 -3.30 0.46 0.00 0.04 0.00 0.00 34.50 31.53 1ka9 s PRO 234 CO -0.24 -0.24 1.80 0.82 0.04 0.00 0.00 177.00 179.18 1ka9 h ILE 235 N 4.26 0.86 -0.25 0.56 2.04 -1.95 -1.84 117.51 121.20 1ka9 h ILE 235 Ca -0.42 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 1ka9 h ILE 235 Cb 1.21 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1ka9 h ILE 235 CO 0.80 0.14 0.01 -0.65 0.00 0.00 0.00 178.15 178.46 1ka9 h PRO 236 N 0.78 0.36 0.02 2.37 0.11 -1.93 -1.28 132.00 132.43 1ka9 h PRO 236 Ca 0.43 -0.06 -0.22 0.00 0.11 0.00 0.00 66.00 66.27 1ka9 h PRO 236 Cb 0.47 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 1ka9 h PRO 236 CO -0.28 0.38 -0.95 -0.22 -0.21 0.00 0.00 178.00 176.72 1ka9 h LYS 237 N 0.35 0.29 -0.30 1.05 1.63 -1.78 -2.98 116.57 114.84 1ka9 h LYS 237 Ca 0.08 -0.34 -0.03 0.00 -0.85 0.00 0.00 60.65 59.52 1ka9 h LYS 237 Cb 0.22 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 1ka9 h LYS 237 CO 0.00 1.05 0.06 1.25 -3.45 0.00 0.00 179.45 178.37 1ka9 h LEU 238 N 0.16 0.46 -0.80 5.20 6.46 -0.86 -2.28 115.31 123.65 1ka9 h LEU 238 Ca -0.07 -0.24 -0.02 0.00 -0.12 0.00 0.00 57.88 57.43 1ka9 h LEU 238 Cb 1.59 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 41.36 1ka9 h LEU 238 CO 0.15 0.58 0.41 0.11 -0.62 0.00 0.00 178.44 179.08 1ka9 h LYS 239 N 0.32 1.13 -0.06 1.25 1.57 -1.27 -0.14 116.57 119.36 1ka9 h LYS 239 Ca 0.09 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 1ka9 h LYS 239 Cb 0.31 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1ka9 h LYS 239 CO 0.00 0.85 -0.40 0.00 -0.57 0.00 0.00 179.45 179.33 1ka9 h ARG 240 N 1.12 0.12 -0.07 3.15 3.08 -1.46 0.12 114.38 120.43 1ka9 h ARG 240 Ca 0.28 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 1ka9 h ARG 240 Cb 0.08 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1ka9 h ARG 240 CO -0.04 0.51 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.44 1ka9 h TYR 241 N 0.10 0.14 -0.44 3.04 3.20 -0.86 -1.04 116.97 121.12 1ka9 h TYR 241 Ca 0.01 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1ka9 h TYR 241 Cb 0.76 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 1ka9 h TYR 241 CO 0.01 0.42 0.21 -0.07 -1.64 0.00 0.00 178.16 177.09 1ka9 h LEU 242 N -0.19 0.57 0.02 2.82 3.38 -0.70 -2.30 115.31 118.90 1ka9 h LEU 242 Ca 0.02 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1ka9 h LEU 242 Cb 0.37 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1ka9 h LEU 242 CO 0.00 0.54 -0.12 0.00 0.09 0.00 0.00 178.44 178.96 1ka9 h ALA 243 N 1.06 -0.15 0.00 1.53 0.00 -0.71 -0.34 119.26 120.64 1ka9 h ALA 243 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ka9 h ALA 243 Cb 0.12 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ka9 h ALA 243 CO -0.02 -0.61 0.00 1.05 0.00 0.00 0.00 179.25 179.67 1ka9 h GLU 244 N -0.21 0.00 -0.10 0.00 4.11 -1.05 0.27 114.58 117.60 1ka9 h GLU 244 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 1ka9 h GLU 244 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1ka9 h GLU 244 CO -0.10 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.61 1ka9 n LYS 245 N -2.42 1.89 -0.50 1.06 4.01 -0.23 -4.94 118.16 117.02 1ka9 n LYS 245 Ca -0.01 -1.31 0.00 0.00 -0.51 0.00 0.00 58.31 56.48 1ka9 n LYS 245 Cb 0.08 -1.46 0.00 0.00 -0.51 0.00 0.00 35.03 33.15 1ka9 n LYS 245 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ka9 n GLY 246 N 1.23 0.75 3.80 0.72 0.00 0.97 -5.06 105.19 107.60 1ka9 n GLY 246 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1ka9 n GLY 246 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ka9 s VAL 247 N -2.04 5.10 -0.35 1.61 1.01 -0.67 -5.01 120.40 120.04 1ka9 s VAL 247 Ca 0.00 0.81 -0.29 0.00 0.00 0.00 0.00 61.98 62.50 1ka9 s VAL 247 Cb 0.00 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1ka9 s VAL 247 CO 0.00 0.51 1.29 -2.28 0.00 0.00 0.00 175.10 174.62 1ka9 s HIS 248 N -0.59 2.66 0.16 5.22 2.46 -1.26 -4.02 115.29 119.93 1ka9 s HIS 248 Ca 0.23 0.83 0.06 0.00 0.47 0.00 0.00 55.06 56.64 1ka9 s HIS 248 Cb -0.16 -4.05 -0.04 0.00 -0.13 0.00 0.00 32.58 28.19 1ka9 s HIS 248 CO 0.11 -1.66 -0.12 0.14 -2.47 0.00 0.00 174.74 170.75 1ka9 s VAL 249 N 4.59 1.34 -0.44 0.89 -7.23 -1.26 -1.00 120.40 117.29 1ka9 s VAL 249 Ca 0.56 -2.06 -0.25 0.00 -1.81 0.00 0.00 61.98 58.42 1ka9 s VAL 249 Cb -0.14 -1.86 0.02 0.00 0.56 0.00 0.00 36.38 34.96 1ka9 s VAL 249 CO 0.26 -0.67 0.89 -0.60 -0.31 0.00 0.00 175.10 174.67 1ka9 s ARG 250 N -3.59 3.56 -0.02 4.82 3.52 -1.26 -4.89 118.95 121.07 1ka9 s ARG 250 Ca 0.17 0.17 0.18 0.00 -0.13 0.00 0.00 55.73 56.12 1ka9 s ARG 250 Cb 0.01 -3.91 -0.28 0.00 -1.56 0.00 0.00 34.95 29.21 1ka9 s ARG 250 CO 0.03 -1.15 0.42 1.28 -0.81 0.00 0.00 175.30 175.07 1ka9 n LEU 251 N 6.99 0.04 -0.13 -0.88 4.77 -1.26 -5.06 117.00 121.46 1ka9 n LEU 251 Ca 0.05 -0.02 0.15 0.00 -0.03 0.00 0.00 56.01 56.16 1ka9 n LEU 251 Cb 0.48 0.00 0.83 0.00 -2.33 0.00 0.00 43.42 42.41 1ka9 n LEU 251 CO 0.62 0.01 1.04 -0.90 -1.33 0.00 0.00 177.39 176.83