NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.4156 0.0000 0.0000 62.4868 32.0467 179.1396 8 N 4.5999 8.6391 114.9799 48.6291 38.6394 171.8349 9 R 4.2537 8.9303 121.9174 58.2469 30.9271 177.9063 10 Q 4.1364 7.9705 118.5914 58.1297 29.0313 177.6488 11 L 3.8718 7.6140 121.2837 58.0258 42.0195 178.9866 12 F 4.5529 7.4243 117.0536 60.4839 38.6219 177.5311 13 C 4.2161 7.7745 115.8711 62.8766 27.7478 175.7427 14 D 4.4296 7.9549 119.3143 55.6549 40.5910 177.5842 15 R 4.1839 8.1617 116.8591 56.5457 30.9304 178.0380 16 L 3.9576 8.6491 124.5703 58.8191 42.9056 177.4799 17 L 3.9998 7.9203 117.7135 57.9968 42.0629 179.3778 18 Q 4.1273 7.9670 117.3263 59.1858 28.3507 178.4180 19 A 4.0281 7.7755 122.8163 54.9163 18.2462 179.3120 20 L 4.1195 8.0614 115.7000 56.6252 41.8409 178.4091 21 A 4.3654 7.5554 118.7965 51.7215 19.3081 177.3444 22 A 4.1490 7.0030 120.3195 52.3345 19.0280 176.0331 23 H 4.9085 7.8701 113.9442 53.6837 31.8315 173.0744 24 E 4.1454 8.6421 119.3298 55.5840 28.9996 177.8436 25 R 4.1646 8.8613 124.3407 56.5236 28.5780 174.8926 26 D 4.1274 7.6014 120.3084 52.8673 41.4420 175.8688 27 G 4.2125 8.8305 117.2364 45.6893 0.0000 173.3239 28 N 4.9583 7.4766 116.3498 49.2059 38.0540 172.8080 29 P 4.5592 0.0000 0.0000 63.0023 33.1246 175.4083 30 V 4.6722 8.2743 113.1329 59.9192 34.9516 175.4305 31 V 4.6060 8.2018 121.8927 60.7815 33.3536 174.7866 32 L 4.7047 8.3843 130.4926 55.3526 44.0977 175.5678 33 L 4.6406 8.2635 117.2793 54.1760 45.6005 174.2843 34 F 5.0110 9.3743 128.4959 56.2856 41.6116 174.0263 35 L 4.9628 8.3104 128.0298 53.2167 45.2772 174.4167 36 D 5.1193 8.8546 124.9546 52.2851 44.6727 175.0511 37 V 4.1699 7.9155 124.8555 62.0697 32.1247 174.8330 38 D 4.5984 8.7577 128.4349 55.7666 41.8347 176.6867 39 N 4.2607 9.1149 117.9778 53.8710 36.7622 176.4821 40 F 4.1044 8.1181 121.2537 61.1267 39.3398 175.7745 41 K 3.7861 8.1913 118.8062 59.8075 32.0315 178.6459 42 S 4.0633 7.9954 114.6423 61.5876 62.7390 176.6099 43 I 3.6435 7.3759 123.3431 63.8492 36.9485 178.0245 44 N 4.0924 7.7979 118.1239 56.6970 38.4677 176.6540 45 D 4.3910 8.1577 119.8654 56.5686 41.2069 178.0697 46 S 4.4446 7.8921 114.4718 59.8600 63.6302 175.5642 47 L 4.5475 8.2832 120.0581 53.2404 42.5724 177.7419 48 G 4.1066 7.5253 105.1915 45.8788 0.0000 174.4967 49 H 4.2637 8.6861 116.0874 58.3399 28.6532 177.8867 50 L 3.7633 7.5583 121.4072 57.5863 41.4317 179.4574 51 V 3.7033 7.7145 117.8131 65.7211 31.6519 178.1259 52 G 3.7665 8.2466 105.5797 47.9651 0.0000 175.3492 53 D 4.4266 8.6928 121.8280 57.1765 40.8285 178.8093 54 R 3.6845 7.7362 118.6472 59.2769 29.8207 178.2550 55 L 4.1080 8.1639 120.1462 58.1298 42.1016 179.0091 56 L 4.1292 8.0716 118.9246 57.9119 41.6346 179.7258 57 R 3.9573 8.3188 118.0247 59.1853 29.9840 179.0180 58 A 4.1405 8.4426 120.9619 55.4568 18.3807 179.6273 59 T 3.9446 8.2534 114.3723 66.9153 68.4498 176.5376 60 A 3.8286 7.9167 122.3894 55.3037 18.5161 179.5933 61 E 3.9349 8.1516 116.5519 59.4060 29.2490 179.8638 62 R 3.9053 7.9845 117.5535 59.2134 30.4435 178.6939 63 I 3.7718 7.8234 119.7173 64.6295 36.9097 178.6055 64 R 3.9240 7.9163 117.4455 59.7084 29.9304 178.9141 65 T 4.0677 7.6136 113.5935 65.4944 68.6104 175.8924 66 A 4.3723 7.7848 120.7491 51.7182 19.4367 177.4215 67 V 4.1095 6.9583 110.1321 59.5135 33.5888 175.8927 68 R 4.1891 8.5634 120.4089 55.7135 30.5374 177.5097 69 D 4.2837 8.7995 119.3829 57.2669 39.7340 177.6338 70 G 4.0457 8.0499 105.5543 45.2644 0.0000 171.8823 71 D 5.3512 8.1473 120.3536 52.7131 43.3018 175.7106 72 T 4.7808 8.4933 111.6250 59.9271 72.1734 173.0208 73 V 5.0739 8.2794 121.3938 61.2813 34.7852 174.4933 74 A 4.7789 8.9220 127.9100 50.4403 22.7117 175.4769 75 R 4.4722 8.6672 121.2203 55.9924 31.3893 175.7575 76 I 4.2653 8.4335 115.1243 59.7788 41.6252 174.6007 77 G 4.0345 9.7332 108.1343 46.4404 0.0000 174.4980 78 G 4.2585 8.5049 112.9629 44.7655 0.0000 175.4716 79 D 4.4566 7.4600 117.9119 52.0228 40.9657 174.3871 80 K 4.5713 7.8080 117.8589 55.2920 36.3856 174.9206 81 F 5.0421 8.1183 117.9009 56.2141 43.5844 174.0437 82 T 5.1872 9.1162 117.0454 60.3413 70.5347 172.5822 83 I 5.0098 8.8040 127.9925 59.4799 41.0245 173.8674 84 L 4.7252 8.7120 129.5220 53.4129 44.2615 174.8343 85 L 5.0169 8.2807 126.5028 52.6964 43.5317 175.6156 86 N 4.4554 8.5044 121.7519 56.1110 38.5659 174.0303 87 G 3.7406 9.5055 116.0757 45.8056 0.0000 174.3314 88 A 3.7659 8.3819 121.0064 51.3427 16.9145 177.0315 89 K 4.1587 7.6266 115.6699 58.3319 32.7503 176.8281 90 D 4.5424 8.9481 121.6515 55.1679 38.2427 174.3088 91 T 4.3278 7.7368 107.7852 60.5629 70.1508 173.7963 92 L 3.7556 8.2196 121.0800 56.5908 38.4352 174.3002 93 N 4.0694 9.2023 107.6676 54.3506 36.5730 176.3466 94 G 3.9463 8.4327 108.2893 45.4085 0.0000 176.1778 95 A 3.4499 8.1624 121.8875 55.4784 18.3218 179.7313 96 L 3.9647 8.1076 117.1696 57.6890 41.5316 179.9954 97 V 3.5261 7.5526 117.7266 65.8091 31.5199 177.6449 98 A 3.8220 7.9165 120.7219 55.3851 18.0126 179.6915 99 Q 3.9957 7.8510 116.3485 58.9072 28.7346 179.1373 100 K 3.9602 7.8195 119.1802 59.3094 32.0149 179.3403 101 I 3.6386 7.9263 120.3542 64.5317 36.8536 178.3230 102 L 3.9733 8.1356 119.8465 58.0039 41.2075 179.3958 103 D 4.4656 8.1678 118.0238 57.3933 40.7500 178.8311 104 G 3.6684 8.1326 106.1916 47.4738 0.0000 174.9291 105 L 4.1640 7.9297 118.1927 55.2473 41.9820 178.1301 106 A 4.2215 7.4771 120.9045 53.1045 19.1450 178.0105 107 Q 4.1221 6.7061 115.7782 54.7321 29.5703 174.3262 108 P 4.5380 0.0000 0.0000 62.8803 32.5416 175.7419 109 F 4.1127 9.3185 122.4218 56.4597 40.4112 175.0766 110 V 4.3343 8.3382 124.5300 61.4617 31.8619 174.8637 111 F 5.2109 8.8549 125.4685 56.9719 38.9034 175.2566 112 G 4.1365 7.9257 108.6705 44.1781 0.0000 177.9714 113 A 4.1362 8.8050 127.4464 54.1832 18.6586 177.5167 114 Q 4.4246 7.6638 115.1953 54.9957 29.1860 174.5095 115 Q 4.9946 8.5362 121.9328 53.9743 31.6773 175.1922 116 I 4.5982 8.4077 123.6319 59.3753 40.8133 174.5196 117 V 4.7887 8.5117 125.7839 61.0596 33.3913 174.7212 118 I 4.6440 8.6980 120.8081 58.9649 40.3931 174.5025 119 S 5.0907 8.3915 115.4472 56.8204 65.7541 173.2202 120 V 5.0886 9.1172 114.9990 59.8023 36.2688 174.5247 121 S 5.1316 8.6232 116.7879 56.9865 67.0537 173.4480 122 I 5.0794 8.6878 123.6855 59.5175 40.8948 174.5852 123 G 5.0400 10.1183 113.5439 43.8367 0.0000 172.2268 124 I 4.9869 8.8539 123.3081 59.0353 40.7870 174.2603 125 A 5.3110 8.3898 128.5809 50.0768 22.0938 174.7505 126 V 4.7131 9.7741 123.2429 60.9911 33.8355 175.2908 127 S 4.9843 8.7050 123.2694 57.5086 63.9269 172.6780 128 P 4.8259 0.0000 0.0000 62.8892 32.0518 177.6568 129 A 3.9681 8.1293 121.8761 55.1277 18.2849 177.7428 130 D 4.8287 8.9206 113.5789 53.8308 41.1576 175.5798 131 G 4.2319 7.3113 106.4365 43.9297 0.0000 174.7602 132 E 4.5927 8.5591 119.0627 57.7960 32.7661 178.0301 133 T 4.4455 7.2097 115.9211 61.2577 68.2225 176.2115 *135 E 4.1903 8.8533 117.2005 56.0299 31.4519 177.3993 136 Q 3.8556 8.2956 119.2358 59.0709 29.0236 178.0969 137 L 3.8376 7.6867 119.6631 57.6964 41.6507 179.1066 138 L 3.9449 7.8891 119.6190 58.3204 41.9682 179.0490 139 R 3.7079 8.0328 117.9043 59.4408 30.0200 178.9129 140 N 3.8064 8.0797 116.0793 55.9360 38.3063 177.4418 141 A 4.0600 8.2549 122.7427 55.0007 18.2024 179.1741 142 D 3.7491 7.6110 116.0180 57.5901 41.0567 178.2887 143 T 4.1569 7.9245 116.0734 66.3270 68.4746 177.2177 144 A 4.1271 8.1161 122.9332 52.4533 18.5638 178.9953 *146 Y 4.5316 7.9490 120.9643 60.0136 40.2877 177.7830 147 H 4.4321 8.0429 116.3037 58.6736 28.7024 177.6790 148 A 4.0130 8.3563 122.8657 55.1270 18.0363 179.6468 149 K 4.2117 8.2792 118.0971 59.0296 32.4149 178.6741 150 S 4.3520 8.0478 113.6622 60.7994 63.1554 176.0797 151 R 4.1897 7.7132 122.0651 59.4625 30.1364 176.0259 152 G 3.9649 7.4902 104.5285 45.7764 0.0000 171.5294 153 K 4.5453 8.4637 117.9492 55.8162 35.3215 174.8641 154 N 4.2542 8.7273 114.7697 55.1648 36.5138 173.2570 155 N 5.2938 7.8039 113.4522 51.5357 43.3419 174.0023 156 Y 5.3377 7.8504 116.6802 55.6669 41.5015 174.4372 157 Q 4.6329 9.0627 121.4125 54.6884 32.8984 173.6733 158 F 5.0373 9.0757 124.8215 56.5110 40.1833 175.4599 159 F 4.4258 9.4521 126.2148 58.5421 40.1938 174.7613 160 S 4.2516 7.2237 118.1926 55.4608 63.9526 171.9989 161 P 4.2908 0.0000 0.0000 62.7941 31.0270 176.5810 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 7 P 0.00 4.42 0.00 2.29 1.59 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 8 N 8.64 4.60 0.00 2.58 2.31 0.00 0.00 6.65 6.77 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 9 R 8.93 4.25 0.00 2.14 2.27 0.00 3.02 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 10 Q 7.97 4.14 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 11 L 7.61 3.87 0.00 1.64 1.23 0.83 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 12 F 7.42 4.55 0.00 3.14 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 13 C 7.77 4.22 0.00 3.20 2.99 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 14 D 7.95 4.43 0.00 2.83 2.72 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 15 R 8.16 4.18 0.00 1.91 2.01 0.00 3.12 0.00 0.00 3.19 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 16 L 8.65 3.96 0.00 1.77 1.70 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.92 4.00 0.00 1.74 1.75 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.97 4.13 0.00 2.28 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.67 0.00 19 A 7.78 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.06 4.12 0.00 1.77 1.74 0.91 1.08 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 21 A 7.56 4.37 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.00 4.15 1.25 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 0.00 0.00 0.00 23 H 7.87 4.91 0.00 3.17 3.27 0.00 5.72 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 24 E 8.64 4.15 0.00 2.02 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 2.35 0.00 25 R 8.86 4.16 0.00 1.85 1.92 0.00 3.35 0.00 0.00 3.42 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 26 D 7.60 4.13 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.83 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.48 4.96 0.00 2.87 2.81 0.00 0.00 7.16 7.63 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 29 P 0.00 4.56 0.00 2.28 2.24 0.00 3.67 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 2.09 2.02 0.00 30 V 8.27 4.67 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 0.71 0.00 0.00 0.95 0.00 0.00 31 V 8.20 4.61 2.12 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 1.05 0.00 0.00 1.00 0.00 0.00 32 L 8.38 4.70 0.00 1.77 1.59 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.26 4.64 0.00 1.86 1.50 0.81 0.99 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 34 F 9.37 5.01 0.00 3.09 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 L 8.31 4.96 0.00 1.70 1.39 0.86 0.73 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 36 D 8.85 5.12 0.00 2.79 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.92 4.17 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 1.05 0.00 0.00 1.06 0.00 0.00 38 D 8.76 4.60 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.11 4.26 0.00 2.90 2.87 0.00 0.00 6.76 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.12 4.10 0.00 3.31 3.25 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 0.00 41 K 8.19 3.79 0.00 1.94 1.83 0.00 1.82 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.56 7.81 42 S 8.00 4.06 0.00 4.00 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 43 I 7.38 3.64 1.69 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 1.34 1.16 0.80 0.00 0.00 44 N 7.80 4.09 0.00 1.85 2.64 0.00 0.00 7.30 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.16 4.39 0.00 2.77 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 46 S 7.89 4.44 0.00 4.04 4.07 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 47 L 8.28 4.55 0.00 1.56 1.75 0.93 0.91 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 48 G 7.53 4.11 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 0.00 0.00 0.00 49 H 8.69 4.26 0.00 3.40 3.58 0.00 5.47 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.56 3.76 0.00 1.61 1.66 0.87 0.74 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 51 V 7.71 3.70 2.23 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 1.18 0.00 0.00 0.96 0.00 0.00 52 G 8.25 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 0.00 0.00 0.00 53 D 8.69 4.43 0.00 2.72 2.73 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 54 R 7.74 3.68 0.00 1.70 1.65 0.00 2.67 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 55 L 8.16 4.11 0.00 2.10 2.07 0.13 0.62 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 56 L 8.07 4.13 0.00 1.89 1.68 0.59 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.32 3.96 0.00 1.96 1.98 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 58 A 8.44 4.14 1.75 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 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.25 3.94 4.18 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 0.00 0.00 0.00 0.41 0.00 0.00 60 A 7.92 3.83 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 3.93 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 62 R 7.98 3.91 0.00 1.98 1.94 0.00 2.92 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.95 0.00 63 I 7.82 3.77 1.91 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.60 0.84 0.00 0.00 64 R 7.92 3.92 0.00 1.94 2.00 0.00 3.32 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.97 0.00 65 T 7.61 4.07 4.37 0.00 0.00 0.00 0.00 0.00 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 66 A 7.78 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 6.96 4.11 2.23 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 0.78 0.00 0.00 0.96 0.00 0.00 68 R 8.56 4.19 0.00 2.06 1.84 0.00 3.14 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 69 D 8.80 4.28 0.00 2.62 2.72 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 70 G 8.05 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.15 5.35 0.00 2.73 2.56 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 0.00 72 T 8.49 4.78 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 73 V 8.28 5.07 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 0.87 0.00 0.00 0.92 0.00 0.00 74 A 8.92 4.78 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.67 4.47 0.00 1.62 1.58 0.00 3.35 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.72 0.00 76 I 8.43 4.27 1.87 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 1.15 0.28 0.92 0.00 0.00 77 G 9.73 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.50 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 0.00 0.00 0.00 0.00 79 D 7.46 4.46 0.00 1.96 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 0.00 0.00 0.00 0.00 80 K 7.81 4.57 0.00 1.67 1.04 0.00 1.46 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.24 1.27 7.81 81 F 8.12 5.04 0.00 2.77 2.77 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 82 T 9.12 5.19 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 83 I 8.80 5.01 1.85 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 1.08 0.99 0.92 0.00 0.00 84 L 8.71 4.73 0.00 1.78 1.52 0.93 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.28 5.02 0.00 1.60 1.58 0.91 1.16 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 86 N 8.50 4.46 0.00 2.70 2.79 0.00 0.00 7.20 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 9.51 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 0.00 0.00 0.00 88 A 8.38 3.77 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.63 4.16 0.00 1.91 1.86 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.42 7.81 90 D 8.95 4.54 0.00 2.87 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 91 T 7.74 4.33 4.24 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 0.00 0.00 0.00 1.28 0.00 0.00 92 L 8.22 3.76 0.00 1.96 1.82 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 93 N 9.20 4.07 0.00 2.93 3.10 0.00 0.00 7.45 7.65 0.00 0.00 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 G 8.43 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.16 3.45 1.63 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 96 L 8.11 3.96 0.00 1.70 1.72 0.99 0.71 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 97 V 7.55 3.53 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 1.08 0.00 0.00 0.90 0.00 0.00 98 A 7.92 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.85 4.00 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.65 2.59 0.00 100 K 7.82 3.96 0.00 1.94 1.82 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.60 7.81 101 I 7.93 3.64 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.75 0.84 0.00 0.00 102 L 8.14 3.97 0.00 1.88 1.76 1.18 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.17 4.47 0.00 2.79 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.13 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.93 4.16 0.00 1.62 1.78 0.84 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.48 4.22 1.33 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 0.00 0.00 0.00 107 Q 6.71 4.12 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 108 P 0.00 4.54 0.00 1.85 1.93 0.00 3.56 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 109 F 9.32 4.11 0.00 2.61 2.07 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 0.00 110 V 8.34 4.33 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 0.88 0.00 0.00 0.87 0.00 0.00 111 F 8.85 5.21 0.00 3.23 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 0.00 112 G 7.93 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 0.00 0.00 0.00 113 A 8.81 4.14 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 0.00 114 Q 7.66 4.42 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 115 Q 8.54 4.99 0.00 1.86 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.69 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 116 I 8.41 4.60 1.78 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 0.93 1.21 0.91 0.00 0.00 117 V 8.51 4.79 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 0.86 0.00 0.00 0.93 0.00 0.00 118 I 8.70 4.64 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.96 0.92 0.00 0.00 119 S 8.39 5.09 0.00 3.91 4.01 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 0.00 120 V 9.12 5.09 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 0.76 0.00 0.00 0.95 0.00 0.00 121 S 8.62 5.13 0.00 3.66 3.69 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 0.00 122 I 8.69 5.08 1.95 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 1.15 0.74 0.93 0.00 0.00 123 G 10.12 5.04 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 0.00 0.00 0.00 124 I 8.85 4.99 1.17 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 0.91 0.38 0.80 0.00 0.00 125 A 8.39 5.31 1.23 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 0.00 0.00 126 V 9.77 4.71 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 0.95 0.00 0.00 1.17 0.00 0.00 127 S 8.71 4.98 0.00 4.06 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 0.00 128 P 0.00 4.83 0.00 2.25 2.34 0.00 3.90 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 2.05 1.93 0.00 129 A 8.13 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.92 4.83 0.00 2.83 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 0.00 131 G 7.31 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 0.00 0.00 0.00 132 E 8.56 4.59 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 133 T 7.21 4.45 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 1.20 0.00 0.00 *135 E 8.85 4.19 0.00 2.03 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 0.00 2.23 2.28 0.00 136 Q 8.30 3.86 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 137 L 7.69 3.84 0.00 1.75 1.68 0.93 0.45 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 0.00 138 L 7.89 3.94 0.00 1.72 1.85 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.03 3.71 0.00 1.87 1.83 0.00 3.28 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 140 N 8.08 3.81 0.00 2.24 1.42 0.00 0.00 6.97 8.09 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 0.00 141 A 8.25 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.61 3.75 0.00 1.99 2.54 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 0.00 0.00 0.00 0.00 143 T 7.92 4.16 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 144 A 8.12 4.13 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *146 Y 7.95 4.53 0.00 3.23 3.06 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 0.00 0.00 0.00 0.00 147 H 8.04 4.43 0.00 3.46 3.37 0.00 5.64 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 0.00 148 A 8.36 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.28 4.21 0.00 1.76 2.10 0.00 1.58 0.00 0.00 2.55 0.00 0.00 3.31 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.40 7.81 150 S 8.05 4.35 0.00 4.14 4.18 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 0.00 0.00 0.00 0.00 151 R 7.71 4.19 0.00 1.88 2.21 0.00 3.33 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 152 G 7.49 3.96 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 0.00 0.00 0.00 153 K 8.46 4.55 0.00 1.86 1.80 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.43 7.81 154 N 8.73 4.25 0.00 2.89 2.95 0.00 0.00 6.74 8.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.80 5.29 0.00 2.62 2.62 0.00 0.00 6.47 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Y 7.85 5.34 0.00 2.72 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 0.00 157 Q 9.06 4.63 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 158 F 9.08 5.04 0.00 3.04 3.05 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 0.00 0.00 0.00 159 F 9.45 4.43 0.00 3.16 3.26 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 0.00 160 S 7.22 4.25 0.00 3.70 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 4.29 0.00 2.10 2.07 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.