NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4919 8.3193 117.1017 57.9211 63.9570 172.6771 10 I 4.3868 8.2670 119.3151 57.7789 39.3765 173.3222 11 I 4.7672 8.0169 123.0172 59.4428 41.6311 176.0801 12 R 4.8324 8.3406 117.3893 54.4745 32.2929 174.5185 13 F 4.9996 8.0029 113.4906 55.3098 41.0432 173.8923 14 S 4.5343 8.5009 116.1939 56.7989 64.7454 173.4763 15 V 4.3795 7.9500 121.1429 61.1826 33.3390 175.1743 16 S 4.6111 8.4951 123.3985 57.6744 63.9476 173.1090 17 L 4.3605 7.7746 122.2515 54.0868 42.7330 174.6744 18 Q 4.3634 8.1236 118.0086 54.8262 31.0801 176.8304 19 Q 3.9356 8.5491 122.5788 59.5712 29.1430 178.2063 20 N 4.2189 8.2097 117.3430 56.9376 38.8601 176.3632 21 L 3.9794 7.8287 120.9588 57.9394 42.2055 178.4187 22 L 3.9248 8.0130 120.4376 58.0458 41.9134 178.6671 23 D 4.3319 8.5202 119.2721 57.5401 40.9400 178.6186 24 E 3.9386 8.0095 118.5532 59.1794 29.3995 179.2139 25 L 3.8584 8.0645 120.3280 58.4357 42.2401 178.8317 26 D 4.3381 8.4146 119.1845 57.2495 40.6655 178.3578 27 N 4.2903 8.4495 117.9113 56.7192 38.9032 176.9844 28 R 3.9511 7.9474 119.8508 59.3640 30.2298 178.4839 29 I 3.9822 7.9430 119.7476 64.5191 36.8899 178.5068 30 I 3.7313 7.5695 119.3941 64.3150 37.0492 178.1501 31 K 4.1089 8.1272 119.2490 59.0665 32.1857 177.7602 32 N 4.7382 8.6203 114.4128 52.3903 39.1115 175.4847 33 G 3.8325 8.0175 108.2012 46.2767 0.0000 173.6731 34 Y 4.1595 8.0600 116.3544 57.7514 38.4501 177.1213 35 S 4.3048 9.1475 118.5511 61.2089 63.2274 174.4217 36 S 4.5471 7.4694 113.9753 56.4568 66.5744 175.7227 37 R 3.8906 8.3028 120.0243 59.4579 29.7280 179.2815 38 S 4.0875 7.9957 114.5289 61.5124 62.7315 176.2513 39 E 3.9553 8.0997 121.6415 59.1650 29.4081 178.6111 40 L 3.8757 7.5210 119.2809 58.1256 42.0112 179.1732 41 V 3.5754 7.6345 117.7639 65.8722 31.4184 178.1382 42 R 3.9430 8.3815 118.2500 59.5656 29.9006 178.7103 43 D 4.4326 8.3595 118.7312 57.6943 40.7261 178.7023 44 M 4.0564 8.1610 118.6966 58.4864 32.2302 178.3662 45 I 3.7005 8.0108 120.2209 64.3153 37.3326 178.2479 46 R 3.8810 8.3801 119.9496 59.4168 29.7676 178.0005 47 E 3.9426 8.3756 119.2384 59.4765 29.4251 179.0480 48 K 3.9872 8.1848 117.4322 59.2145 32.0970 178.8556 49 L 4.1073 7.7317 120.1562 57.5827 42.1874 178.2721 50 V 4.0753 7.5174 114.7159 61.7831 32.1540 175.4398 51 E 4.0725 7.3381 119.1746 56.3347 30.1295 176.0213 52 D 4.4198 8.5049 124.6712 55.3105 41.3041 175.8404 53 N 4.8242 8.1751 119.0320 51.3663 40.4380 175.3748 54 W 4.4673 8.1259 121.3755 56.9494 29.0560 175.7681 *58 N 4.5027 8.3932 114.6534 51.7980 38.7603 169.8737 59 P 4.7072 0.0000 0.0000 62.9574 33.3642 175.9788 60 N 4.6075 8.3907 114.0322 53.7741 38.7693 175.1655 61 D 4.1921 8.2099 120.5865 55.8986 41.4985 176.3450 62 E 4.3680 8.7765 121.9647 55.9672 29.8080 172.6038 63 S 4.8651 7.9576 112.0656 58.8974 64.0662 174.4673 64 K 4.1429 7.9098 120.9773 57.1114 32.9715 175.8686 65 I 5.2029 8.5525 124.0507 59.7606 40.2429 174.4029 66 A 5.1109 8.9904 126.3050 50.6253 23.5203 174.8910 67 V 4.7043 9.0520 119.3607 61.0389 34.3674 174.0379 68 L 4.9152 8.9302 130.7836 53.6307 44.0519 174.8951 69 V 4.8456 8.8750 127.0253 61.3712 33.7676 174.5481 70 V 5.1458 9.0695 127.4052 61.3280 35.1231 173.7860 71 I 5.2035 9.2112 129.1044 59.8332 39.5169 174.3266 72 Y 5.2793 8.6141 124.0255 55.3973 42.4387 173.8871 73 D 5.5560 9.4171 120.7725 53.5118 41.5247 176.2701 74 H 4.8061 8.4343 120.9356 56.7638 28.8858 176.1538 75 H 4.3606 8.8447 118.7209 58.3614 28.8344 175.8549 76 Q 3.9711 8.0395 120.2741 57.1268 28.8063 178.1683 77 R 4.1534 8.7761 121.7865 58.3696 30.0319 173.4813 78 E 4.6927 7.9400 113.7057 55.5565 31.7246 177.2920 79 L 3.8665 8.1615 121.2454 58.3363 42.1216 178.0978 80 N 4.1773 8.1185 116.2096 56.8493 38.9303 176.4332 81 Q 4.0116 8.0027 120.3692 59.0595 29.1909 178.1910 82 R 3.8842 7.7885 119.1145 59.2508 30.0889 178.8397 83 M 3.6403 7.8338 118.4606 58.2681 31.9044 178.5825 84 I 3.9024 7.5051 119.4434 64.9359 37.2897 178.2612 85 D 4.3866 8.1742 119.2538 57.3438 40.6677 179.0038 86 I 3.6349 7.5103 120.5433 64.2074 36.7921 178.4989 87 F 4.4893 7.6115 117.9051 60.7892 39.0223 176.9749 88 H 4.3523 8.6673 117.8930 59.2509 29.4832 177.2181 89 A 4.0195 8.1280 122.0362 55.0392 18.3040 179.3674 90 S 4.3199 7.9538 111.1059 59.2832 63.2454 175.5287 91 G 3.8477 7.5132 109.7372 46.1269 0.0000 173.2412 92 T 4.4116 7.4582 115.8824 62.7829 69.8645 173.9922 93 H 4.8147 9.3937 122.8990 54.4509 31.0135 174.3779 94 V 4.3219 8.2623 123.3109 61.7825 31.3152 175.3764 95 L 4.2626 8.7135 129.7778 57.7979 42.4279 177.4190 96 C 4.8485 7.5600 115.7339 58.6116 34.7331 172.9075 97 T 5.2375 8.5272 114.2554 60.3746 72.0461 173.1615 98 T 4.6983 8.8050 119.0072 62.3824 72.5666 172.3713 99 H 5.4572 9.1776 123.7865 53.9229 30.9627 173.8393 100 I 4.5871 8.7102 117.1358 59.2928 40.3756 174.5952 101 H 4.7279 8.8672 123.1318 55.5127 29.0726 175.0463 102 M 4.2360 8.7181 125.5687 57.3878 32.1795 175.5726 103 D 4.5420 7.7644 118.3120 52.8173 42.1579 175.9315 104 E 3.8107 9.1575 117.1963 60.5473 29.8659 175.4141 *105 H 4.2960 10.6406 118.0499 57.6040 29.0794 176.8897 106 N 5.2228 7.7958 116.9797 51.3384 41.0178 173.4886 107 C 5.0144 8.6831 123.4723 57.3778 34.5814 172.0210 108 L 5.1183 8.7487 128.4328 53.5686 43.7105 174.4876 109 E 5.2991 9.7157 127.3914 54.5374 33.0672 174.1888 110 T 5.0168 8.7921 116.8468 60.0090 71.4928 173.1199 111 I 4.8142 8.7242 126.8480 59.3966 40.2947 174.7282 112 I 4.4840 8.8823 129.8189 60.7005 38.1655 175.2715 113 L 5.1997 9.2328 127.4721 52.9784 45.2557 175.4962 114 Q 5.4625 8.5716 122.2425 53.6444 32.6386 174.8917 115 G 3.8968 8.0159 112.2660 45.1120 0.0000 171.6503 116 N 5.5408 7.8466 118.3727 51.1450 40.3144 175.6849 117 S 3.8540 8.3022 115.6430 61.5327 62.2359 176.0739 118 F 4.1379 8.2669 121.2098 61.4664 39.5625 176.4384 119 E 4.0708 8.6743 117.9464 59.6184 29.2603 179.3820 120 I 3.8256 7.7757 119.6620 64.5815 37.0185 178.1194 121 Q 4.2391 7.9726 116.2028 57.4800 28.7655 177.4856 122 R 4.3627 7.6240 118.1837 56.1949 30.8648 178.1204 123 L 3.9803 7.6292 119.7947 57.6339 41.6630 178.7176 124 Q 3.8943 8.0722 119.1010 59.2866 28.9824 178.3649 125 L 3.9120 7.7259 120.5578 57.9412 42.0378 178.3232 126 E 3.8818 7.5560 117.5463 59.6971 29.7875 179.2162 127 I 3.8319 8.0471 120.0888 64.2899 36.9425 178.8510 128 G 3.7194 8.0625 105.6068 47.2178 0.0000 175.2359 129 G 3.7828 7.6631 105.5454 44.8942 0.0000 174.3184 130 L 4.0877 7.2079 121.9832 54.4670 42.2548 176.7533 131 R 4.1448 8.3061 119.7097 57.2374 30.3490 175.4869 132 G 4.1492 9.0794 109.4473 45.8928 0.0000 173.7203 133 V 4.2841 7.3572 119.6023 62.5924 31.8135 175.4875 134 K 4.5914 9.2078 126.5285 57.1321 34.0134 176.5230 135 F 4.8817 8.0184 120.6622 57.0034 42.9022 172.8100 136 A 5.0100 7.4176 126.5085 50.4296 22.2915 175.4596 137 K 4.3769 8.9329 123.8085 55.0777 35.8157 174.4048 138 L 5.0534 8.9654 130.2765 53.9215 44.0193 175.5143 139 T 4.4941 8.9195 122.0294 61.5814 71.5218 173.2189 140 K 4.1886 8.2798 126.1102 55.2971 32.7933 176.5410 141 A 4.4521 8.9086 129.1849 51.3159 18.8215 177.4825 142 S 4.2212 8.4117 115.8013 59.4420 63.0174 174.1585 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 9 S 8.32 4.49 0.00 3.65 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.27 4.39 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.97 0.93 0.00 0.00 11 I 8.02 4.77 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.71 0.98 0.00 0.00 12 R 8.34 4.83 0.00 1.81 1.81 0.00 2.98 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 13 F 8.00 5.00 0.00 3.12 2.96 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 0.00 0.00 0.00 0.00 14 S 8.50 4.53 0.00 3.95 3.87 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 0.00 0.00 0.00 0.00 15 V 7.95 4.38 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.89 0.00 0.00 16 S 8.50 4.61 0.00 3.91 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.77 4.36 0.00 1.69 1.59 0.90 0.52 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 18 Q 8.12 4.36 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 19 Q 8.55 3.94 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 20 N 8.21 4.22 0.00 2.79 2.81 0.00 0.00 6.80 6.66 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 21 L 7.83 3.98 0.00 1.79 1.76 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.01 3.92 0.00 1.79 1.80 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.52 4.33 0.00 2.86 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 24 E 8.01 3.94 0.00 2.19 1.99 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 2.33 2.43 0.00 25 L 8.06 3.86 0.00 1.76 1.85 0.77 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.41 4.34 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.45 4.29 0.00 2.87 2.94 0.00 0.00 6.82 8.51 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 28 R 7.95 3.95 0.00 2.02 2.03 0.00 3.42 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 29 I 7.94 3.98 2.02 0.00 0.00 0.78 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 0.74 1.01 0.00 0.00 30 I 7.57 3.73 2.03 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 1.42 0.63 0.93 0.00 0.00 31 K 8.13 4.11 0.00 1.93 2.00 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 32 N 8.62 4.74 0.00 2.99 2.62 0.00 0.00 7.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.02 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.06 4.16 0.00 2.97 2.89 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 35 S 9.15 4.30 0.00 4.01 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.47 4.55 0.00 4.01 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 37 R 8.30 3.89 0.00 1.82 1.94 0.00 3.09 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 38 S 8.00 4.09 0.00 3.84 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 3.96 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 40 L 7.52 3.88 0.00 1.19 1.54 0.16 0.71 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 41 V 7.63 3.58 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.88 0.00 0.00 42 R 8.38 3.94 0.00 2.13 2.00 0.00 3.22 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 43 D 8.36 4.43 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 M 8.16 4.06 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 45 I 8.01 3.70 2.05 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 1.44 0.73 0.94 0.00 0.00 46 R 8.38 3.88 0.00 1.92 2.13 0.00 3.12 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 47 E 8.38 3.94 0.00 2.18 2.17 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 2.32 2.37 0.00 48 K 8.18 3.99 0.00 1.90 1.86 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.58 7.81 49 L 7.73 4.11 0.00 1.92 1.84 0.93 1.00 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 50 V 7.52 4.08 2.09 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 0.88 0.00 0.00 0.97 0.00 0.00 51 E 7.34 4.07 0.00 2.19 1.91 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 2.29 2.27 0.00 52 D 8.50 4.42 0.00 2.69 2.62 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 0.00 53 N 8.18 4.82 0.00 2.72 2.68 0.00 0.00 6.22 8.88 0.00 0.00 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 W 8.13 4.47 0.00 3.36 3.20 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 *58 N 8.39 4.50 0.00 2.79 2.69 0.00 0.00 6.55 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.71 0.00 2.05 2.01 0.00 3.55 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 60 N 8.39 4.61 0.00 2.68 2.80 0.00 0.00 6.68 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.21 4.19 0.00 2.58 2.44 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 0.00 62 E 8.78 4.37 0.00 2.02 1.80 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 2.17 1.85 0.00 63 S 7.96 4.87 0.00 3.84 3.92 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 64 K 7.91 4.14 0.00 1.79 1.64 0.00 0.85 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.19 0.99 7.81 65 I 8.55 5.20 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.06 0.95 0.00 0.00 66 A 8.99 5.11 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 67 V 9.05 4.70 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 0.94 0.00 0.00 0.93 0.00 0.00 68 L 8.93 4.92 0.00 1.82 1.55 0.95 0.84 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 69 V 8.87 4.85 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 1.05 0.00 0.00 1.00 0.00 0.00 70 V 9.07 5.15 2.25 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 1.06 0.00 0.00 1.02 0.00 0.00 71 I 9.21 5.20 2.04 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.78 0.92 0.00 0.00 72 Y 8.61 5.28 0.00 3.20 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 73 D 9.42 5.56 0.00 2.76 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 H 8.43 4.81 0.00 3.23 3.03 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.84 4.36 0.00 3.35 3.41 0.00 5.88 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.04 3.97 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 77 R 8.78 4.15 0.00 1.83 1.85 0.00 3.20 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 78 E 7.94 4.69 0.00 1.97 1.94 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 2.28 2.25 0.00 79 L 8.16 3.87 0.00 1.76 1.69 0.80 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.12 4.18 0.00 2.84 2.82 0.00 0.00 6.79 6.69 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 81 Q 8.00 4.01 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 82 R 7.79 3.88 0.00 2.02 1.87 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 83 M 7.83 3.64 0.00 1.90 2.14 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.36 0.00 84 I 7.51 3.90 2.08 0.00 0.00 0.90 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 0.80 0.96 0.00 0.00 85 D 8.17 4.39 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 3.63 1.56 0.00 0.00 0.68 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 1.10 0.73 0.00 0.00 87 F 7.61 4.49 0.00 3.24 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.67 4.35 0.00 3.29 3.48 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.13 4.02 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 90 S 7.95 4.32 0.00 4.13 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 91 G 7.51 3.85 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 0.00 0.00 0.00 92 T 7.46 4.41 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 93 H 9.39 4.81 0.00 3.13 3.18 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.26 4.32 2.02 0.00 0.00 0.00 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 0.56 0.00 0.00 95 L 8.71 4.26 0.00 1.56 1.70 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.56 4.85 0.00 2.95 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 97 T 8.53 5.24 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 1.19 0.00 0.00 98 T 8.80 4.70 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 99 H 9.18 5.46 0.00 3.06 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.71 4.59 1.89 0.00 0.00 0.86 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 0.84 0.93 0.00 0.00 101 H 8.87 4.73 0.00 3.10 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 M 8.72 4.24 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 103 D 7.76 4.54 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 9.16 3.81 0.00 2.00 1.94 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 2.24 1.91 0.00 *105 H 10.64 4.30 0.00 2.61 3.09 0.00 7.15 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 7.80 5.22 0.00 2.49 2.66 0.00 0.00 6.52 7.54 0.00 0.00 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 C 8.68 5.01 0.00 2.54 1.85 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 0.00 108 L 8.75 5.12 0.00 1.74 1.51 0.89 0.97 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 0.00 109 E 9.72 5.30 0.00 2.18 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 110 T 8.79 5.02 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 1.24 0.00 0.00 111 I 8.72 4.81 1.80 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.85 0.54 0.00 0.00 112 I 8.88 4.48 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 0.91 0.00 0.00 113 L 9.23 5.20 0.00 1.51 1.49 0.89 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.57 5.46 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 115 G 8.02 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 7.85 5.54 0.00 2.99 2.95 0.00 0.00 6.36 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.30 3.85 0.00 3.49 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.27 4.14 0.00 3.05 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.67 4.07 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.71 0.00 120 I 7.78 3.83 2.15 0.00 0.00 1.02 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 1.52 1.13 0.00 0.00 121 Q 7.97 4.24 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.48 2.83 0.00 122 R 7.62 4.36 0.00 1.71 1.79 0.00 2.21 0.00 0.00 2.59 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.36 0.00 123 L 7.63 3.98 0.00 1.83 1.85 1.12 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.07 3.89 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 125 L 7.73 3.91 0.00 1.74 1.58 0.87 0.94 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 0.00 126 E 7.56 3.88 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.55 0.00 127 I 8.05 3.83 1.82 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.85 0.00 0.00 128 G 8.06 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.66 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.21 4.09 0.00 1.76 1.54 0.77 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.31 4.14 0.00 1.92 1.93 0.00 3.00 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 132 G 9.08 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 0.00 0.00 0.00 133 V 7.36 4.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.95 0.00 0.00 134 K 9.21 4.59 0.00 1.71 1.89 0.00 1.91 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.50 7.81 135 F 8.02 4.88 0.00 3.15 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 0.00 136 A 7.42 5.01 1.07 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 0.00 0.00 137 K 8.93 4.38 0.00 1.45 1.70 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.44 7.81 138 L 8.97 5.05 0.00 1.64 1.45 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 139 T 8.92 4.49 4.20 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 1.15 0.00 0.00 140 K 8.28 4.19 0.00 0.86 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.45 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 0.73 7.81 141 A 8.91 4.45 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.41 4.22 0.00 4.10 4.10 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.