NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 34 L 4.2464 8.1849 122.4880 54.8083 44.1425 176.6743 35 L 4.3938 7.4126 118.8595 53.6726 42.8710 174.9336 36 R 4.8486 9.8167 123.9796 56.4076 32.1197 174.7307 37 Y 5.3719 9.1017 122.7196 56.2732 42.6497 173.7348 38 C 4.3663 8.3352 118.3857 56.6676 33.9129 172.6689 39 V 4.7842 8.5282 119.9338 61.3158 34.3791 174.0128 40 Q 5.1020 9.2536 127.1996 54.0216 31.5518 174.5107 41 K 3.9253 8.8586 125.8931 55.7274 33.7907 174.7864 42 H 5.0425 8.7908 128.4949 53.9457 31.3001 173.2506 43 D 4.7352 8.7222 131.5247 53.2328 39.0021 174.9837 44 A 5.0670 7.4197 123.5806 50.3389 21.6946 176.6319 45 S 4.2391 8.8904 108.7366 61.4691 62.7672 174.7844 46 R 4.5130 7.5941 119.1465 53.0878 31.4120 175.7920 47 L 4.3166 8.4092 125.7184 55.8198 42.8373 175.4196 48 H 5.2277 8.5498 120.0345 55.4667 32.9812 171.3718 49 Y 4.9455 9.0569 116.0643 56.2799 40.9062 174.8500 50 D 5.3549 9.4848 124.7928 53.0917 42.9320 175.1153 51 F 5.1895 9.3790 127.3056 56.6964 41.4254 174.6267 52 R 5.2613 8.6550 124.9031 54.3608 34.1637 174.3264 53 L 4.7174 8.7446 122.8763 52.3623 45.0967 175.5710 54 E 4.6688 9.3912 126.3601 56.2483 30.5505 175.9946 55 L 4.6940 9.2864 128.0683 55.2497 45.8856 175.0862 56 D 4.4280 9.9210 125.1194 55.5921 38.2801 174.6431 57 G 3.9306 8.3860 103.4141 45.9188 0.0000 172.2592 58 T 4.6849 7.7169 113.3604 60.2377 72.1353 172.5774 59 L 4.8966 8.8377 124.5456 52.8652 42.8161 176.4855 60 K 4.3918 8.7809 125.2685 56.4166 33.1186 176.7931 61 S 5.2410 7.7394 119.2875 56.5871 67.5227 172.9379 62 W 5.4458 9.1787 121.6290 54.9639 33.6114 173.9687 63 A 4.9537 9.3625 126.5876 51.0909 20.0635 176.3331 64 V 4.8088 8.9441 124.0423 59.6998 31.8885 174.1121 65 P 4.3547 0.0000 0.0000 64.6765 32.2997 178.0174 66 K 4.3784 8.2741 115.6637 55.6028 32.4286 177.2823 67 G 3.3566 7.8924 104.3461 44.1368 0.0000 171.9103 68 P 4.4089 0.0000 0.0000 62.5886 31.8411 175.4185 69 C 4.8873 8.5538 118.6306 57.7773 34.4226 174.5745 70 L 3.9293 8.7331 125.2985 55.8320 41.8394 175.7512 71 D 5.1021 7.4850 119.7644 51.6656 41.2246 175.2835 72 P 4.5859 0.0000 0.0000 64.4331 31.4933 177.3354 73 A 4.1017 8.3790 120.1352 52.9909 18.8072 177.1753 74 V 4.1410 7.6729 116.6934 61.2012 32.1726 174.9803 75 K 4.6511 8.4995 126.9817 55.2255 33.7099 176.2033 76 R 4.7535 8.6465 123.2964 53.8358 33.3586 175.0138 77 L 3.9182 8.8009 125.9640 55.3705 43.6072 175.6878 78 A 4.7774 8.8225 127.4850 50.5866 22.3346 174.9006 79 V 4.6213 8.8722 123.7927 61.9724 33.0588 175.1945 80 Q 3.8509 9.3016 130.9913 56.6569 29.3807 175.6756 81 V 4.6321 7.7912 120.6522 59.5567 35.2202 174.6466 82 E 4.0386 8.6608 121.8952 56.6996 30.1033 177.6615 83 D 4.6657 8.5911 125.6141 55.1707 41.8105 175.3642 84 H 4.9462 8.8103 118.0577 52.9914 32.9701 171.8589 85 P 4.6502 0.0000 0.0000 62.3108 32.4163 177.1664 86 L 4.0149 8.7721 120.4791 58.5696 41.5742 179.5324 87 D 4.5605 8.0958 117.0535 56.5005 40.7883 177.4740 88 Y 4.2088 8.3268 120.0909 59.6993 38.5466 177.1348 89 A 4.0120 7.9465 120.9251 54.4817 18.4718 177.5684 90 D 4.6475 7.4519 114.4272 53.8330 41.5722 176.3201 91 F 4.1515 7.7922 123.2544 57.7949 39.7815 174.3789 92 E 4.4078 8.5649 126.1662 53.4721 33.7600 176.8423 93 G 3.6271 6.5440 108.2509 45.9040 0.0000 170.9558 94 S 5.2393 8.3645 118.1161 56.7991 66.3162 173.7839 95 I 4.5381 8.8419 125.3786 58.8536 39.0551 173.8950 96 P 4.6959 0.0000 0.0000 62.8407 32.4297 177.2227 97 Q 4.1702 8.5047 120.1499 54.8012 29.0088 176.6811 *102 A 4.5242 8.5396 127.8713 50.0238 20.2222 179.4361 103 G 4.5030 6.0283 112.1028 47.1330 0.0000 171.1096 104 D 5.0217 8.0913 120.9490 54.3002 42.5967 175.6917 105 V 4.9303 9.2425 122.4965 61.0543 34.5347 174.3862 106 I 4.7954 8.4852 120.0948 58.9427 41.6448 174.8810 107 V 4.2353 9.1856 124.1371 61.9722 31.2268 176.1042 108 W 4.3250 9.2869 135.0000 59.7752 31.4707 175.6105 109 D 4.7405 8.0233 117.3079 53.1615 44.0235 174.0178 110 R 4.4827 7.5366 117.4378 54.3836 32.4983 175.1367 111 G 4.5756 7.4451 107.5157 46.6334 0.0000 171.6225 112 A 5.6066 8.4320 125.3866 49.8849 22.9370 175.0711 113 W 5.6106 8.9814 115.3491 55.2891 31.8595 174.9273 114 T 4.2130 8.8893 116.5835 61.1282 72.3510 172.0045 115 P 5.1474 0.0000 0.0000 62.9417 32.2653 176.2306 116 L 4.5928 8.8864 120.5835 54.8462 42.5557 175.9135 117 D 4.4938 7.9425 115.9540 51.6416 43.9271 174.0476 118 D 4.4058 8.7286 122.8321 53.9932 41.6126 175.8696 119 P 4.4705 0.0000 0.0000 65.8194 31.7014 178.7084 120 R 3.9684 8.1188 117.4270 59.1921 30.1103 178.3395 121 E 4.1239 8.4360 118.7967 59.1964 29.5218 179.0486 122 G 3.8630 8.5202 107.4761 47.3630 0.0000 175.6234 123 L 4.4536 8.3823 121.8420 57.6503 41.4291 179.5797 124 E 3.9967 8.1366 117.6218 59.1950 29.6314 178.9907 125 K 4.3323 8.2977 116.1424 57.4465 33.2963 177.4990 126 G 3.4995 9.3416 108.8280 45.3634 0.0000 172.3316 127 H 5.5545 8.9299 120.2153 54.9427 33.2886 171.9111 128 L 4.9736 9.4622 126.9525 53.0959 44.1290 175.3879 129 S 5.3736 8.7235 118.8924 56.5747 65.0271 172.6305 130 F 5.5773 8.7202 120.4063 56.2379 41.9129 172.4727 131 A 5.3822 9.4962 120.5766 50.1985 22.4201 175.1200 132 L 4.9840 9.1821 120.0944 52.9385 45.0789 175.4672 133 D 4.7656 9.3814 122.1516 52.1883 41.0190 174.1141 134 G 4.6204 8.6318 109.4526 43.1867 0.0000 170.3792 135 E 4.2546 9.2035 120.0653 58.1394 29.8677 177.4951 136 K 4.3985 8.5031 115.6985 57.0191 34.2356 176.2371 137 L 4.9812 8.3281 118.3947 53.4236 43.3403 175.6192 138 S 5.1244 8.3166 114.7883 59.0399 65.5774 173.6465 139 G 3.8240 8.6555 109.2311 44.7565 0.0000 172.0756 140 R 5.0904 8.1671 116.7626 54.7380 32.6333 175.9431 141 W 5.2688 8.7417 120.8284 55.4541 34.2433 173.6202 142 H 5.5581 9.6043 118.2368 54.1510 32.4804 172.5329 143 L 5.2465 9.3632 122.5253 53.1697 44.1253 175.4520 144 I 5.1025 9.1567 124.8379 59.5677 40.4012 174.6331 145 R 4.2021 8.2862 127.9805 54.4902 31.1076 176.1237 146 T 3.9871 8.2913 120.1631 62.4794 67.8549 173.8485 147 N 4.6077 8.4457 123.3043 53.0000 39.2602 175.0755 148 L 3.9836 7.9211 125.3502 55.1038 42.4798 177.0821 149 R 4.0431 8.6117 124.4653 58.1407 29.5662 173.2421 150 G 4.0501 8.9919 109.3829 45.2925 0.0000 173.7111 151 K 4.6822 7.9926 117.2571 55.9220 33.4481 178.3768 152 Q 4.1986 8.2608 119.9005 58.4975 28.7899 177.4544 153 S 4.5608 8.0312 111.6496 59.3867 64.7546 173.4832 154 Q 4.6225 8.5957 124.3829 55.3983 29.5656 174.5113 155 W 5.3731 9.2093 126.3107 54.8465 33.4526 174.6869 156 F 5.1001 9.3152 118.9824 55.7653 42.4623 174.0150 157 L 4.9725 9.0550 126.1823 53.7142 43.8799 175.2984 158 V 4.7829 8.9475 125.8565 60.7871 35.2643 174.3810 159 K 3.2886 8.5683 128.8770 56.0868 33.1377 175.7169 160 A 4.6201 7.8612 128.9740 50.5029 20.4029 177.3683 161 K 3.9390 8.4272 119.6159 56.7636 32.5080 176.4295 162 D 4.4323 7.9309 123.2112 52.9990 41.5133 176.0912 163 G 3.6747 8.7806 107.1281 48.2939 0.0000 174.0553 164 E 4.2988 8.1085 117.5009 56.4051 30.3114 176.3263 165 A 4.3221 7.5651 121.3972 52.1042 19.1467 177.3530 166 R 4.6592 8.7765 119.0171 54.1780 35.1765 174.7793 167 S 4.3766 8.6930 117.8766 58.1919 62.4803 174.8499 168 L 4.2153 9.4388 129.1830 58.2325 41.6496 178.9719 169 D 4.5080 8.1194 117.7313 55.6469 39.5519 177.5052 170 R 4.5276 7.3181 115.8951 56.5923 30.6293 176.0068 171 F 4.4968 8.1233 120.7528 56.0152 41.7036 173.3551 172 D 4.7020 8.1656 128.6215 52.4122 42.3905 176.6470 173 V 3.3655 8.2772 128.5857 64.8758 31.1630 178.1009 174 L 4.2740 8.0130 118.7149 56.9560 41.4343 178.8011 175 K 4.2955 7.6234 117.0693 58.7733 32.7816 178.4500 176 E 4.2035 8.1672 118.1471 58.0086 30.6286 177.6403 177 R 4.6410 7.9427 116.8544 53.8580 30.4611 173.0448 178 P 5.0098 0.0000 0.0000 63.0154 32.5383 176.5991 179 D 4.8474 7.5875 118.8838 52.5341 42.6677 175.8623 180 S 4.3681 8.3531 115.1723 58.9518 62.6968 174.3499 181 V 4.0249 8.3835 119.5317 61.6862 31.8561 176.6725 182 L 4.5049 7.7352 119.2274 55.1327 43.1512 177.2016 183 S 4.6367 8.2502 110.6359 57.3940 63.6321 173.4879 184 E 3.8849 8.3145 122.1256 57.8517 29.9481 176.7441 185 R 3.9971 8.6411 121.2743 56.7399 31.0769 175.7188 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 34 L 8.18 4.25 0.00 1.57 1.70 0.91 0.65 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 35 L 7.41 4.39 0.00 1.44 1.63 0.38 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 36 R 9.82 4.85 0.00 1.82 1.90 0.00 3.09 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 37 Y 9.10 5.37 0.00 2.91 2.82 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 0.00 0.00 0.00 0.00 38 C 8.34 4.37 0.00 2.87 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 39 V 8.53 4.78 2.51 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 1.32 0.00 0.00 1.11 0.00 0.00 40 Q 9.25 5.10 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.24 0.00 41 K 8.86 3.93 0.00 1.71 1.59 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.61 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.95 0.21 7.81 42 H 8.79 5.04 0.00 3.05 2.66 0.00 5.65 0.00 0.00 0.00 0.00 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.72 4.74 0.00 2.78 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 44 A 7.42 5.07 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 0.00 0.00 0.00 0.00 0.00 45 S 8.89 4.24 0.00 3.98 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 46 R 7.59 4.51 0.00 1.80 1.90 0.00 3.21 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 47 L 8.41 4.32 0.00 1.59 1.56 0.67 0.98 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 48 H 8.55 5.23 0.00 3.27 3.36 0.00 5.53 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 9.06 4.95 0.00 2.97 2.83 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 50 D 9.48 5.35 0.00 2.62 2.66 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 51 F 9.38 5.19 0.00 3.10 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 52 R 8.66 5.26 0.00 1.64 1.70 0.00 3.15 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 53 L 8.74 4.72 0.00 0.96 0.13 -0.59 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 54 E 9.39 4.67 0.00 2.08 2.31 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 2.47 2.36 0.00 55 L 9.29 4.69 0.00 2.00 1.55 1.11 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 56 D 9.92 4.43 0.00 2.84 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 57 G 8.39 3.93 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 0.00 0.00 0.00 58 T 7.72 4.68 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 1.27 0.00 0.00 59 L 8.84 4.90 0.00 1.72 1.59 1.07 0.99 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 60 K 8.78 4.39 0.00 1.63 1.21 0.00 1.45 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.53 7.81 61 S 7.74 5.24 0.00 3.65 3.59 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 62 W 9.18 5.45 0.00 3.18 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 63 A 9.36 4.95 1.27 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 0.00 0.00 64 V 8.94 4.81 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 1.39 0.00 0.00 0.91 0.00 0.00 65 P 0.00 4.35 0.00 2.15 2.12 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 66 K 8.27 4.38 0.00 1.74 1.83 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.45 7.81 67 G 7.89 3.36 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 0.00 0.00 0.00 68 P 0.00 4.41 0.00 2.26 1.97 0.00 2.64 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 69 C 8.55 4.89 0.00 2.95 2.82 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 0.00 0.00 0.00 0.00 70 L 8.73 3.93 0.00 1.92 1.81 1.25 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 71 D 7.49 5.10 0.00 2.69 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 72 P 0.00 4.59 0.00 2.00 2.09 0.00 3.71 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.88 0.00 73 A 8.38 4.10 1.30 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 0.00 0.00 74 V 7.67 4.14 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 0.84 0.00 0.00 0.94 0.00 0.00 75 K 8.50 4.65 0.00 1.63 1.76 0.00 1.52 0.00 0.00 1.48 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.41 7.81 76 R 8.65 4.75 0.00 1.89 1.81 0.00 3.45 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 77 L 8.80 3.92 0.00 1.78 1.54 0.57 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.82 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.87 4.62 2.11 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 0.79 0.00 0.00 0.93 0.00 0.00 80 Q 9.30 3.85 0.00 1.90 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.37 0.00 0.00 0.00 0.00 0.00 2.06 1.57 0.00 81 V 7.79 4.63 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 0.74 0.00 0.00 0.85 0.00 0.00 82 E 8.66 4.04 0.00 1.87 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 2.15 2.25 0.00 83 D 8.59 4.67 0.00 2.51 2.51 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 84 H 8.81 4.95 0.00 3.04 3.10 0.00 5.81 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.65 0.00 2.23 2.14 0.00 3.56 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.91 0.00 86 L 8.77 4.01 0.00 1.74 1.82 0.95 1.10 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 87 D 8.10 4.56 0.00 2.74 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.33 4.21 0.00 3.09 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 89 A 7.95 4.01 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 90 D 7.45 4.65 0.00 2.65 2.64 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 0.00 0.00 0.00 0.00 91 F 7.79 4.15 0.00 2.58 2.06 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 92 E 8.56 4.41 0.00 1.63 1.52 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 2.07 2.07 0.00 93 G 6.54 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 94 S 8.36 5.24 0.00 3.77 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.84 4.54 1.99 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 1.41 1.43 0.96 0.00 0.00 96 P 0.00 4.70 0.00 1.94 2.00 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 97 Q 8.50 4.17 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 *102 A 8.54 4.52 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 0.00 103 G 6.03 4.50 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 0.00 0.00 0.00 104 D 8.09 5.02 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.24 4.93 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 1.06 0.00 0.00 0.88 0.00 0.00 106 I 8.49 4.80 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.87 0.88 0.00 0.00 107 V 9.19 4.24 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 0.91 0.00 0.00 0.89 0.00 0.00 108 W 9.29 4.32 0.00 3.39 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.02 4.74 0.00 2.58 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 0.00 110 R 7.54 4.48 0.00 1.76 1.81 0.00 3.09 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 111 G 7.45 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.43 5.61 1.30 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 0.00 0.00 113 W 8.98 5.61 0.00 3.59 2.90 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 0.00 114 T 8.89 4.21 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 1.06 0.00 0.00 115 P 0.00 5.15 0.00 2.32 2.23 0.00 3.27 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 116 L 8.89 4.59 0.00 1.71 1.79 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.94 4.49 0.00 2.66 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 0.00 118 D 8.73 4.41 0.00 2.79 2.66 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 0.00 119 P 0.00 4.47 0.00 2.56 2.54 0.00 3.81 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 120 R 8.12 3.97 0.00 2.07 2.08 0.00 3.18 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 121 E 8.44 4.12 0.00 2.11 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 2.38 2.39 0.00 122 G 8.52 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.38 4.45 0.00 2.08 1.92 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.14 4.00 0.00 2.21 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 0.00 2.42 2.40 0.00 125 K 8.30 4.33 0.00 1.95 1.99 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.69 1.54 7.81 126 G 9.34 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 0.00 0.00 0.00 127 H 8.93 5.55 0.00 3.26 3.24 0.00 5.57 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 9.46 4.97 0.00 1.75 1.71 0.70 0.92 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 0.00 129 S 8.72 5.37 0.00 3.99 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 F 8.72 5.58 0.00 3.75 3.48 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 0.00 0.00 0.00 0.00 131 A 9.50 5.38 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 0.00 132 L 9.18 4.98 0.00 1.65 1.28 0.10 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 133 D 9.38 4.77 0.00 2.72 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 0.00 134 G 8.63 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 0.00 0.00 0.00 0.00 135 E 9.20 4.25 0.00 1.90 2.11 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 2.23 2.21 0.00 136 K 8.50 4.40 0.00 1.50 1.61 0.00 0.61 0.00 0.00 0.74 0.00 0.00 2.58 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.07 1.05 7.81 137 L 8.33 4.98 0.00 1.89 1.77 1.08 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.32 5.12 0.00 3.88 3.82 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 0.00 0.00 0.00 0.00 139 G 8.66 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.17 5.09 0.00 1.73 1.70 0.00 3.06 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 141 W 8.74 5.27 0.00 1.78 2.50 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 0.00 142 H 9.60 5.56 0.00 3.05 3.29 0.00 5.57 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 9.36 5.25 0.00 1.50 1.46 -0.71 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 144 I 9.16 5.10 2.03 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 1.18 1.04 0.93 0.00 0.00 145 R 8.29 4.20 0.00 0.67 0.86 0.00 3.20 0.00 0.00 2.53 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.00 146 T 8.29 3.99 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 1.20 0.00 0.00 147 N 8.45 4.61 0.00 2.72 2.80 0.00 0.00 6.92 7.85 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 0.00 148 L 7.92 3.98 0.00 1.75 1.55 0.92 1.02 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 0.00 149 R 8.61 4.04 0.00 1.87 1.74 0.00 3.40 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 1.56 1.23 0.00 150 G 8.99 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 0.00 151 K 7.99 4.68 0.00 1.88 1.76 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.53 7.81 152 Q 8.26 4.20 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 153 S 8.03 4.56 0.00 3.97 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 0.00 154 Q 8.60 4.62 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 155 W 9.21 5.37 0.00 3.37 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 0.00 156 F 9.32 5.10 0.00 3.00 2.98 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 0.00 0.00 0.00 157 L 9.05 4.97 0.00 1.40 1.40 0.58 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 158 V 8.95 4.78 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 0.87 0.00 0.00 1.02 0.00 0.00 159 K 8.57 3.29 0.00 1.24 1.27 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.76 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.20 0.98 7.81 160 A 7.86 4.62 1.08 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 0.00 161 K 8.43 3.94 0.00 1.70 1.73 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.36 7.81 162 D 7.93 4.43 0.00 2.78 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 0.00 163 G 8.78 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 0.00 164 E 8.11 4.30 0.00 2.05 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 0.00 2.26 2.40 0.00 165 A 7.57 4.32 1.15 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 0.00 166 R 8.78 4.66 0.00 1.83 1.85 0.00 3.10 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.47 0.00 167 S 8.69 4.38 0.00 3.91 3.75 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 0.00 168 L 9.44 4.22 0.00 1.81 1.67 0.93 1.37 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 0.00 169 D 8.12 4.51 0.00 2.87 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 0.00 170 R 7.32 4.53 0.00 1.89 2.17 0.00 3.27 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 171 F 8.12 4.50 0.00 2.98 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 0.00 172 D 8.17 4.70 0.00 2.67 2.41 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 0.00 0.00 0.00 0.00 173 V 8.28 3.37 2.42 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 1.09 0.00 0.00 1.32 0.00 0.00 174 L 8.01 4.27 0.00 1.61 1.69 0.65 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 175 K 7.62 4.30 0.00 1.78 1.82 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.50 7.81 176 E 8.17 4.20 0.00 1.48 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.71 0.00 177 R 7.94 4.64 0.00 1.78 1.73 0.00 3.26 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 178 P 0.00 5.01 0.00 2.30 2.39 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 179 D 7.59 4.85 0.00 2.66 2.64 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 0.00 0.00 0.00 0.00 180 S 8.35 4.37 0.00 3.81 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 0.00 181 V 8.38 4.02 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 0.57 0.00 0.00 0.90 0.00 0.00 182 L 7.74 4.50 0.00 1.68 1.63 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 183 S 8.25 4.64 0.00 3.84 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 0.00 184 E 8.31 3.88 0.00 2.08 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 0.00 2.28 2.29 0.00 185 R 8.64 4.00 0.00 2.02 1.92 0.00 3.11 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.