NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *19 W 4.7297 8.1333 121.3336 56.1425 30.9970 177.3048 20 K 4.2268 7.9749 118.3382 58.2197 31.3879 177.4136 21 D 4.3161 8.8289 119.6256 57.4701 41.7509 177.9517 22 K 4.3818 7.9880 119.7506 58.3487 32.1576 178.7939 23 E 3.9609 8.8874 120.2578 59.3287 29.5502 178.7355 24 F 4.2119 8.3347 120.5473 61.4804 39.0235 177.0368 25 Q 4.0117 8.0892 117.7014 58.9677 28.4574 179.1290 26 V 3.6448 8.3162 119.6331 66.0455 31.5344 178.1360 27 L 4.0356 8.1351 118.8410 57.5286 41.3364 179.2854 28 F 3.4875 8.4265 121.0988 61.0608 39.3045 177.2568 29 V 3.2693 7.8850 117.9026 65.9905 31.3379 177.8991 30 L 3.8875 8.1112 118.9722 58.0440 41.3998 179.7326 31 T 3.6421 7.7812 115.8076 66.5468 68.2844 176.8363 32 I 3.4030 7.2087 121.7458 64.2732 36.9697 178.4868 33 L 3.9892 7.8195 119.8032 58.1126 41.4438 179.8033 34 T 3.9435 7.8310 115.6950 66.6250 68.2827 176.8219 35 L 4.2397 8.0419 120.9918 57.5571 41.5535 179.6150 36 I 3.7111 8.1296 120.5155 64.2927 37.0705 178.1648 37 S 4.2029 8.4236 114.3978 61.5796 62.1959 176.6167 38 G 3.6599 8.1169 109.4414 47.3454 0.0000 175.8934 39 T 4.0152 8.2881 118.3739 66.6156 68.6488 176.7725 40 I 3.8251 8.0482 123.3992 63.7082 37.1161 178.1031 41 F 3.5373 7.9842 121.2793 61.5509 39.0392 176.9229 42 Y 4.1151 7.7583 116.2467 60.6062 37.7116 178.4857 43 S 4.7235 8.2696 116.3814 59.6266 63.2299 175.4949 44 T 4.4106 7.3573 110.3707 61.5253 69.4289 175.0286 45 V 4.0274 7.3183 119.7600 62.8239 33.4442 175.6237 46 E 4.4703 7.7362 116.1305 54.9912 30.2654 175.6485 47 G 3.8895 7.7467 106.3994 46.7032 0.0000 173.5694 48 L 4.5910 7.2712 117.2409 52.2781 44.3930 177.1151 49 R 4.2371 8.0901 120.1689 55.5920 32.0384 176.1656 50 P 4.2255 0.0000 0.0000 66.1202 31.4019 178.9481 51 I 3.7707 7.6955 116.6430 64.0103 37.8962 177.4736 52 D 4.4066 7.9298 119.2845 56.9241 40.8319 178.3879 53 A 4.0282 8.3488 121.8472 54.8721 18.2866 179.5267 54 L 4.0665 8.1586 120.3052 57.9589 42.2071 178.4159 55 Y 3.9609 8.1645 119.5239 60.8232 38.8083 178.0045 56 F 4.2462 8.6817 121.6080 61.3533 39.4752 177.3036 57 S 4.3236 8.2895 114.9437 61.4828 62.7698 176.8786 58 V 3.4275 7.9717 121.0915 66.2112 31.3080 178.6885 59 V 3.5167 7.5181 111.8292 64.0301 31.2940 178.9360 60 T 3.7316 7.3431 115.6861 66.5352 68.2099 177.0179 61 L 3.9449 7.5714 119.1360 56.9025 41.6732 178.5637 62 T 3.8961 7.4154 107.6860 61.0164 69.2403 175.3568 63 T 3.3922 7.4546 110.5439 62.4082 68.1387 173.0824 64 V 3.5479 7.3475 122.6886 64.7568 31.6289 177.6955 65 G 4.0809 8.6558 103.4696 45.5059 0.0000 171.7263 66 D 5.0647 8.4515 117.8914 52.3954 43.2922 176.3109 67 G 4.2921 8.8895 114.4533 45.8645 0.0000 173.4589 68 N 4.8978 8.3546 115.8496 53.6076 43.3183 174.7862 69 F 4.8206 8.6166 118.8695 56.7982 40.9239 175.0380 70 S 4.1648 6.5916 120.8877 55.9522 66.7564 172.3427 71 P 4.0537 0.0000 0.0000 63.4700 31.5759 176.0483 72 Q 4.3956 9.0356 119.8965 56.5002 30.5495 176.7993 73 T 4.6132 7.6971 108.2249 60.4399 72.1881 175.5160 74 D 4.5362 8.5623 121.4802 57.2092 40.7197 178.8079 75 F 4.8549 8.4327 121.4080 61.2619 39.5295 177.2783 76 G 3.9883 8.6447 105.5100 47.2432 0.0000 176.1599 77 K 4.1743 8.1703 120.7826 59.5539 32.3965 179.5249 78 I 3.9244 7.9253 112.9754 63.6093 37.3844 178.1629 79 F 3.8723 8.0598 122.7137 61.4725 39.0852 177.1837 80 T 4.0354 8.2234 115.4321 66.7907 68.1687 176.5187 81 I 3.7740 7.9234 121.5810 64.5867 37.2223 178.5609 82 L 4.0810 7.8080 119.3848 57.8030 41.2876 178.7852 83 Y 3.9957 8.3413 120.5430 60.6477 38.5475 178.3596 84 I 3.5045 8.0043 120.8420 64.5191 37.0459 178.4934 85 F 4.0510 7.6073 116.8298 60.4945 38.7864 177.3727 86 I 4.1299 7.9122 118.4619 63.0947 37.3795 177.6693 87 G 3.6271 8.1120 106.2456 46.1218 0.0000 175.9912 88 I 3.9942 7.7977 122.4486 64.2990 37.1459 178.4135 89 G 3.7283 8.1112 105.9545 47.8186 0.0000 175.2149 90 L 3.9437 7.8125 122.6540 57.7964 42.1748 178.9811 91 V 3.5297 7.8288 118.1956 66.1276 31.3922 177.9585 92 F 4.1281 8.6029 117.4853 59.8767 38.7534 178.1264 93 G 3.6633 8.1358 105.9987 47.5905 0.0000 175.6792 94 F 4.2604 8.6040 123.3941 61.1949 39.3856 177.2292 95 I 3.4917 8.0677 119.6816 64.5108 36.7815 177.8848 96 H 4.1238 8.4723 119.0352 59.3752 29.6919 177.5641 97 K 3.9443 8.1915 120.2636 59.1510 31.7754 179.1798 98 L 3.7130 8.1964 120.9310 57.8979 41.8999 178.9200 99 A 4.1287 7.9762 122.2053 54.8106 18.1746 179.7624 100 V 3.5270 7.6771 115.2695 65.0397 31.7731 176.9814 101 N 4.6904 8.1903 113.9591 52.9234 39.4100 174.9813 102 V 3.9718 7.0713 117.6072 64.2095 33.7172 177.4429 103 Q 3.8847 8.3659 119.0188 58.6975 28.4307 178.2558 104 L 3.9294 8.0078 121.5904 57.8905 42.0664 177.3284 105 P 4.1757 0.0000 0.0000 65.4560 31.2478 178.6000 106 S 4.0926 7.7357 112.9592 60.7833 62.1026 176.1852 107 I 3.6672 7.8514 121.6780 64.4390 37.2031 178.0335 108 L 4.1319 8.1035 120.1361 57.8936 41.4898 179.8322 109 S 4.1541 8.2869 114.2636 61.3574 62.7021 175.6407 110 N 4.6641 8.0748 117.6208 54.1697 38.6092 175.5424 111 L 4.4238 7.4016 119.2026 54.5608 42.7223 176.9760 112 V 3.7221 7.1663 118.9412 61.8404 31.8523 173.6725 113 P 4.5781 0.0000 0.0000 62.3982 32.3668 176.3263 114 R 4.1918 8.2970 118.8750 56.5294 30.9187 175.1812 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *19 W 8.13 4.73 0.00 2.44 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.97 4.23 0.00 1.88 1.91 0.00 1.63 0.00 0.00 2.03 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.57 7.81 21 D 8.83 4.32 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.99 4.38 0.00 1.85 1.88 0.00 2.06 0.00 0.00 1.97 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.32 7.81 23 E 8.89 3.96 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 24 F 8.33 4.21 0.00 3.16 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.09 4.01 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.52 2.81 0.00 26 V 8.32 3.64 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.05 0.00 0.00 27 L 8.14 4.04 0.00 2.05 1.92 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.43 3.49 0.00 2.65 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.89 3.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.06 0.00 0.00 30 L 8.11 3.89 0.00 1.75 1.63 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.78 3.64 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 32 I 7.21 3.40 1.41 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 -0.27 0.70 0.00 0.00 33 L 7.82 3.99 0.00 1.75 1.67 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.83 3.94 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 35 L 8.04 4.24 0.00 1.77 1.72 0.80 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.13 3.71 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 0.90 0.00 0.00 37 S 8.42 4.20 0.00 3.92 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.12 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.29 4.02 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 40 I 8.05 3.83 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.71 0.87 0.00 0.00 41 F 7.98 3.54 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 7.76 4.12 0.00 3.20 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.27 4.72 0.00 4.06 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.36 4.41 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 45 V 7.32 4.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.25 0.00 0.00 46 E 7.74 4.47 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.81 0.00 47 G 7.75 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.27 4.59 0.00 1.56 1.36 -0.08 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.09 4.24 0.00 1.79 1.82 0.00 3.12 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 50 P 0.00 4.23 0.00 2.15 2.11 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 51 I 7.70 3.77 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.24 0.89 0.00 0.00 52 D 7.93 4.41 0.00 2.80 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.35 4.03 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.16 4.07 0.00 1.91 1.95 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.16 3.96 0.00 3.20 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.68 4.25 0.00 3.19 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.29 4.32 0.00 4.26 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.97 3.43 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 59 V 7.52 3.52 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.87 0.00 0.00 60 T 7.34 3.73 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 61 L 7.57 3.94 0.00 1.41 1.48 0.41 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.42 3.90 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 63 T 7.45 3.39 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 64 V 7.35 3.55 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.91 0.00 0.00 65 G 8.66 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.45 5.06 0.00 3.08 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.89 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 8.35 4.90 0.00 2.69 2.85 0.00 0.00 6.73 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.62 4.82 0.00 2.84 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 6.59 4.16 0.00 3.58 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.05 0.00 2.10 2.13 0.00 3.59 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 72 Q 9.04 4.40 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 73 T 7.70 4.61 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 74 D 8.56 4.54 0.00 2.88 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.43 4.85 0.00 3.05 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.64 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.17 4.17 0.00 2.08 1.97 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.78 7.81 78 I 7.93 3.92 1.98 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.05 1.16 0.00 0.00 79 F 8.06 3.87 0.00 2.53 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.22 4.04 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 81 I 7.92 3.77 2.14 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 1.10 0.00 0.00 82 L 7.81 4.08 0.00 1.66 1.62 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.34 4.00 0.00 1.94 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.00 3.50 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.50 0.49 0.00 0.00 85 F 7.61 4.05 0.00 3.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.91 4.13 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.74 0.90 0.00 0.00 87 G 8.11 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.80 3.99 1.88 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.61 1.04 0.00 0.00 89 G 8.11 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.81 3.94 0.00 1.75 1.77 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.83 3.53 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.79 0.00 0.00 92 F 8.60 4.13 0.00 3.29 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.14 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.60 4.26 0.00 3.01 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.07 3.49 2.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.92 0.00 0.00 96 H 8.47 4.12 0.00 3.39 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.19 3.94 0.00 2.11 2.04 0.00 1.70 0.00 0.00 1.95 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.57 7.81 98 L 8.20 3.71 0.00 1.27 1.57 0.90 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.98 4.13 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.68 3.53 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.78 0.00 0.00 101 N 8.19 4.69 0.00 2.72 2.73 0.00 0.00 6.73 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.07 3.97 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 -0.18 0.00 0.00 103 Q 8.37 3.88 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.56 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 104 L 8.01 3.93 0.00 1.79 1.76 0.89 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.18 0.00 2.11 2.02 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 106 S 7.74 4.09 0.00 3.92 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.85 3.67 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.79 0.89 0.00 0.00 108 L 8.10 4.13 0.00 1.80 1.69 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.29 4.15 0.00 4.01 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 N 8.07 4.66 0.00 2.89 2.89 0.00 0.00 6.97 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.40 4.42 0.00 1.79 1.69 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.17 3.72 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.00 0.00 0.00 113 P 0.00 4.58 0.00 2.21 2.02 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 114 R 8.30 4.19 0.00 1.76 1.80 0.00 3.23 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 * Residues marked with a * may have inaccurate shift predictions.