NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 A 4.3364 8.1227 122.4571 51.5188 21.1779 175.7979 32 E 4.7184 8.0308 114.7655 53.5131 31.6420 169.3054 33 V 4.2972 8.9011 127.8215 60.9126 34.7559 173.6815 34 L 4.9307 8.5285 127.8556 54.4847 41.9008 176.6078 35 L 4.5213 9.3200 124.0126 56.2693 43.1662 177.0003 36 L 4.6775 7.7358 119.3958 53.7801 46.0812 174.3872 37 D 5.0951 8.7941 124.9576 52.6488 43.2037 175.7470 38 S 4.2774 9.3287 122.2661 60.5840 63.1441 175.4776 39 K 4.3468 8.0822 119.0418 55.9026 31.9824 176.4447 40 A 4.1154 7.8727 125.5886 53.0982 18.6684 178.6272 41 Q 4.4229 8.5203 119.2560 55.0226 28.4538 174.9167 42 Q 4.3798 7.7723 120.1364 56.3434 30.5599 175.7135 43 T 3.8264 8.6633 112.6051 62.3104 68.4997 170.2931 44 E 4.1989 8.7024 122.6225 54.9767 30.3882 173.1899 45 L 4.3735 8.3928 124.3549 54.7162 42.5662 177.2385 46 E 4.5213 8.9865 121.7389 56.2295 29.9553 173.6131 47 W 5.1935 9.0931 125.0177 54.1480 32.1411 175.6131 48 I 4.7198 8.6073 122.6136 59.7391 39.8727 174.6694 49 S 5.3310 8.8524 121.9665 56.9212 65.4353 173.6853 50 S 4.6742 9.4236 118.9976 55.8269 65.1917 171.8120 51 P 4.7911 0.0000 0.0000 61.5058 32.0480 175.4934 52 P 4.3056 0.0000 0.0000 66.0144 31.0263 176.8309 53 N 4.8008 8.1721 113.5259 53.1475 40.1790 175.2116 54 G 3.4481 8.5847 109.9050 47.0917 0.0000 175.9886 55 W 4.5586 9.4883 117.1520 56.8154 30.5879 176.4084 56 E 4.9260 9.6931 124.3371 54.2892 32.7046 174.8321 57 E 3.9798 8.9289 125.3150 55.9639 30.6588 175.7129 58 I 4.4867 8.5731 127.6299 59.7468 40.3867 174.8055 59 S 5.0588 8.6479 123.0448 57.6302 65.3039 174.2409 60 G 4.1394 8.3314 107.5519 45.8816 0.0000 171.5967 61 L 5.2080 8.2511 118.6166 52.5396 45.3467 176.0227 62 D 4.4927 9.1016 125.0138 54.3660 41.9182 177.5728 63 E 3.7764 8.3845 116.6154 58.4599 29.4674 175.5465 64 N 4.6174 7.9792 113.0859 53.5397 38.8078 175.4468 65 Y 3.9935 7.2807 114.5968 58.8530 36.2410 169.4749 66 T 4.2728 7.3102 118.3223 62.6102 69.4120 172.4088 67 P 4.7793 0.0000 0.0000 62.8321 32.5486 175.3923 68 I 4.4309 8.6447 123.0654 59.2605 40.6735 173.9858 69 R 4.8552 8.6181 128.6476 54.6945 31.5858 175.5280 70 T 4.8318 8.3405 114.2372 59.9513 72.5043 172.5554 71 Y 5.1856 8.6965 119.9653 56.5276 41.1343 174.9399 72 Q 5.3304 9.5820 122.4697 54.4516 33.7990 174.6599 73 V 4.4321 8.0597 120.2586 60.1061 34.8703 174.1941 74 C 5.0889 7.8982 124.1010 55.3069 44.1046 175.2034 75 Q 4.2642 7.4880 121.0254 55.0228 27.4410 177.1169 76 V 3.8855 7.3033 110.2981 62.8294 32.7434 177.5374 77 M 4.2364 7.8919 117.9228 56.0308 32.6611 175.3200 78 E 4.6692 7.8234 117.6631 53.7876 31.9897 174.0305 79 P 4.4910 0.0000 0.0000 62.4803 32.8815 174.9644 80 N 4.1795 8.4545 112.6667 54.4836 35.8985 174.9670 81 Q 4.2390 7.6926 116.3773 55.7843 30.6126 177.0953 82 N 5.4833 8.4591 120.4868 52.8268 39.9365 171.4368 83 N 5.1678 9.4929 119.2838 51.1399 41.2786 174.1274 84 W 5.2470 9.6674 124.6750 54.8616 32.1850 174.9320 85 L 5.1334 8.6876 125.2917 53.1845 44.8756 174.9602 86 R 4.9021 8.7991 126.3446 54.3880 33.2162 175.0912 87 T 2.9718 8.1026 117.0805 60.3340 69.9012 173.4789 88 N 4.7521 8.2258 119.4363 52.3726 38.2505 174.5225 89 W 3.4851 8.8660 130.0293 57.5575 31.5296 174.8894 90 I 3.8911 7.2742 128.2868 58.9789 38.6935 175.1767 91 S 3.5067 7.8355 122.6217 57.4797 63.0233 174.0934 92 K 4.2137 8.7920 126.7870 57.2780 34.0028 178.3683 93 G 3.7182 7.4499 107.7010 47.4009 0.0000 173.6305 94 N 4.6736 8.7329 120.4285 52.5877 38.5549 174.6939 95 A 3.0400 7.0600 121.3777 51.6910 20.4986 176.9749 96 Q 3.9697 8.5202 119.8032 56.6533 28.3469 177.2641 97 R 4.3416 8.7981 119.3368 56.6493 31.9293 176.9446 98 I 4.4905 8.5029 123.7798 59.4652 40.5775 174.4211 99 F 4.8810 8.9249 125.1288 55.6962 41.3759 174.8861 100 V 4.8182 8.9469 123.1144 61.1030 34.1933 173.5451 101 E 5.2503 9.8044 129.6291 54.5260 31.9833 174.2531 102 L 5.4290 9.4100 127.2163 53.0038 44.8649 175.4416 103 K 5.7655 9.2880 123.2630 54.0454 34.9779 175.2291 104 F 5.4489 8.1837 117.1888 56.3164 41.1073 172.8023 105 T 4.7925 8.7634 110.8738 60.4488 71.5066 173.8809 106 L 5.0585 8.2845 125.4249 53.9099 44.1713 175.4068 107 R 4.1406 8.6176 126.6989 55.8575 30.9068 176.8086 108 D 4.4564 8.7620 123.1137 54.4334 41.8344 177.8566 109 C 4.5065 8.7933 123.5914 59.5420 40.4152 174.9725 110 N 4.2653 7.7805 116.7363 55.5436 38.2163 175.9446 111 S 4.5564 7.8003 110.9301 57.8454 63.4132 173.4993 112 L 4.6705 7.6016 121.5248 52.3706 43.3556 174.1055 113 P 4.3483 0.0000 0.0000 63.3208 32.7014 175.9835 114 G 3.5748 8.7654 109.5555 46.7069 0.0000 171.4687 115 V 4.4188 7.1041 110.9889 59.2702 35.1773 174.4675 *119 C 4.6673 8.3216 113.7134 55.8795 40.8857 172.7304 120 K 4.7757 8.4715 119.2489 55.0322 34.1264 176.6528 121 E 4.7827 8.6639 117.7471 56.2041 30.2428 175.4751 122 T 5.2582 7.6917 108.1326 60.0156 72.3667 172.3307 123 F 5.1629 8.6366 116.4780 55.4213 42.2147 172.8617 124 N 5.1899 9.2089 116.0538 51.3485 41.3540 173.7333 125 L 5.1067 8.2708 124.4140 53.6532 44.6599 174.7952 126 Y 5.5637 8.9758 122.7433 56.6988 42.9589 173.5402 127 Y 5.7556 9.2834 117.8939 56.2717 42.3792 173.4219 128 Y 4.8657 9.0310 120.9307 56.2056 42.3388 173.5502 129 E 4.8842 8.4335 126.7483 56.0373 30.8430 175.9280 130 T 4.5853 8.5087 113.1488 60.1267 72.4001 174.6100 131 D 4.7589 8.7715 121.6635 56.1593 41.3938 175.6702 132 Y 3.2797 6.5624 114.7992 55.2217 40.0045 173.4184 133 D 3.9824 7.2232 120.3051 54.4397 41.0195 175.8147 134 T 4.3398 8.0637 120.7318 60.5675 70.9312 174.1077 135 G 3.9202 8.5726 110.6228 46.7891 0.0000 172.7347 136 R 4.4619 8.3145 114.9670 56.2378 30.0977 176.5872 137 N 4.6391 7.8349 114.9819 52.4070 39.6807 175.5005 138 I 4.0881 7.8153 122.6792 59.9222 36.9079 175.4523 139 R 4.0820 7.7684 125.1500 54.0251 28.9395 176.9857 140 E 2.6632 7.8372 122.4422 58.9851 29.5756 178.9633 141 N 4.5709 7.6385 112.7793 54.3625 38.8879 175.7135 142 L 4.0297 7.6303 118.3147 56.3779 42.1589 177.1929 143 Y 4.1001 7.4738 115.8037 57.7625 38.5020 174.9599 144 V 4.4220 8.6008 123.7765 60.9183 33.7038 174.6628 145 K 3.9036 8.7372 129.8365 56.6725 32.1350 176.4194 146 I 3.9851 8.7755 129.8362 63.2475 37.4896 175.5706 147 D 4.3302 7.2057 118.4036 53.6937 44.4888 174.3771 148 T 4.5105 8.4784 119.1377 63.3952 69.6200 174.1805 149 I 4.2653 8.7446 127.1828 59.4208 39.1131 174.6134 150 A 5.2393 8.4904 128.0393 49.7155 21.8069 175.5991 151 A 4.4939 8.0945 118.4358 51.3743 19.4039 177.6049 152 D 4.4193 9.4291 119.8783 54.2547 41.5039 176.8920 153 E 4.2194 8.5635 122.8344 56.5776 31.0260 174.9149 154 S 4.1044 7.8226 124.3581 57.6650 66.2695 177.0974 *166 K 3.8289 8.6121 123.6242 55.9048 31.3604 173.6308 167 L 4.4276 8.1757 128.4543 53.6390 43.1637 175.2792 168 N 4.6255 8.5650 124.6566 52.5543 40.3383 174.3601 169 T 5.1284 8.3130 118.7304 61.8652 71.6612 173.1113 170 E 4.8408 9.6302 126.1789 54.4636 33.0926 175.0189 171 V 5.1038 8.6479 123.7357 61.2244 34.1736 174.7665 172 R 4.7323 9.0943 125.8162 54.3137 34.0621 173.7444 173 E 4.6419 8.6609 123.6880 54.3498 31.4208 174.6469 174 I 4.1975 8.5057 120.0191 59.6801 41.6815 175.3232 175 G 3.5733 8.1523 109.8911 43.7258 0.0000 171.2328 176 P 4.6986 0.0000 0.0000 62.1275 31.7657 176.2218 177 L 4.5086 7.9494 121.6132 53.6121 43.1575 176.7896 178 S 4.3960 8.6031 114.9458 59.2422 64.0354 174.6593 179 K 4.5586 7.8494 120.0460 54.7788 33.4595 176.7606 180 K 4.2109 8.9349 119.3737 59.6773 33.3304 177.1966 181 G 4.0016 8.1409 105.4246 46.1394 0.0000 171.5997 182 F 5.2150 7.4343 112.3047 56.3765 41.5182 172.6935 183 Y 4.9082 8.9797 117.7112 56.4079 40.8351 174.7759 184 L 5.3731 8.3844 121.8475 53.2448 44.4305 175.4847 185 A 4.6379 8.7012 123.2442 49.9547 23.1277 174.8947 186 F 5.1034 8.8090 118.8636 55.6569 42.4105 173.9385 187 Q 4.5163 9.0563 125.9677 54.2356 30.8551 173.5198 188 D 5.0744 9.5046 127.3989 52.8463 42.9460 176.9637 189 V 5.1014 8.2190 116.8118 60.0109 32.6214 174.4079 190 G 3.3670 7.2369 108.5510 45.7644 0.0000 174.2817 191 A 5.0353 8.8091 123.2144 49.5789 21.5893 175.9377 192 C 4.8544 8.3611 119.3344 55.0597 40.1826 171.9031 193 I 5.2506 8.6157 125.8362 58.9856 40.7695 174.5862 194 A 4.7486 8.8683 127.3629 50.0071 21.5357 175.2995 195 L 4.5156 9.3903 126.2158 55.7607 42.2543 177.2472 196 V 4.1214 8.9283 127.6990 64.3756 33.0000 176.1327 197 S 4.7171 7.7739 113.5828 57.0263 66.0590 173.2705 198 V 5.0664 9.3014 126.7713 61.2210 34.6649 174.1896 199 K 5.2800 9.4497 126.7610 54.6824 36.1826 175.3197 200 V 5.1345 9.2474 124.6275 61.3940 34.5679 173.8448 201 Y 5.5313 8.4583 124.4742 56.5241 41.9090 172.5704 202 Y 5.4677 8.8407 117.6227 55.6321 42.3216 173.7316 203 K 5.0294 8.9141 118.3810 54.4984 34.6737 176.8275 204 K 4.3930 8.8399 122.8444 56.7839 31.7008 176.9356 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 31 A 8.12 4.34 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 32 E 8.03 4.72 0.00 1.95 1.71 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 2.11 2.38 0.00 33 V 8.90 4.30 0.94 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 0.92 0.00 0.00 0.68 0.00 0.00 34 L 8.53 4.93 0.00 1.60 1.66 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 L 9.32 4.52 0.00 1.60 1.74 1.16 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.74 4.68 0.00 1.74 1.54 1.10 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.79 5.10 0.00 2.77 2.53 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 0.00 0.00 0.00 0.00 38 S 9.33 4.28 0.00 3.90 4.19 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 0.00 0.00 0.00 39 K 8.08 4.35 0.00 1.97 1.87 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.38 7.81 40 A 7.87 4.12 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.52 4.42 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.92 0.00 0.00 0.00 0.00 0.00 2.23 1.94 0.00 42 Q 7.77 4.38 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 43 T 8.66 3.83 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 44 E 8.70 4.20 0.00 1.98 1.78 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 2.23 1.91 0.00 45 L 8.39 4.37 0.00 1.89 2.12 1.17 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.99 4.52 0.00 1.75 1.77 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 2.22 1.91 0.00 47 W 9.09 5.19 0.00 3.05 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 48 I 8.61 4.72 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.93 0.98 0.00 0.00 49 S 8.85 5.33 0.00 3.89 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 0.00 50 S 9.42 4.67 0.00 3.81 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 51 P 0.00 4.79 0.00 2.30 2.20 0.00 4.00 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 2.13 2.00 0.00 52 P 0.00 4.31 0.00 2.25 2.30 0.00 3.80 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 2.03 2.04 0.00 53 N 8.17 4.80 0.00 2.74 2.91 0.00 0.00 6.88 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 54 G 8.58 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 W 9.49 4.56 0.00 3.28 3.34 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 0.00 56 E 9.69 4.93 0.00 1.88 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 2.30 2.45 0.00 57 E 8.93 3.98 0.00 1.59 1.69 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 1.91 1.49 0.00 58 I 8.57 4.49 1.81 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 1.20 0.55 0.87 0.00 0.00 59 S 8.65 5.06 0.00 3.68 3.71 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 60 G 8.33 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 61 L 8.25 5.21 0.00 1.59 1.53 1.04 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 62 D 9.10 4.49 0.00 2.80 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 63 E 8.38 3.78 0.00 2.03 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 2.23 1.90 0.00 64 N 7.98 4.62 0.00 2.72 2.88 0.00 0.00 7.20 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 65 Y 7.28 3.99 0.00 3.16 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 66 T 7.31 4.27 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 1.21 0.00 0.00 67 P 0.00 4.78 0.00 2.05 2.05 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 68 I 8.64 4.43 1.84 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 1.20 1.29 0.89 0.00 0.00 69 R 8.62 4.86 0.00 1.49 1.58 0.00 3.25 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 70 T 8.34 4.83 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 1.17 0.00 0.00 71 Y 8.70 5.19 0.00 2.98 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 72 Q 9.58 5.33 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 73 V 8.06 4.43 1.10 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 0.57 0.00 0.00 74 C 7.90 5.09 0.00 2.82 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 75 Q 7.49 4.26 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 76 V 7.30 3.89 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 0.70 0.00 0.00 0.91 0.00 0.00 77 M 7.89 4.24 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 78 E 7.82 4.67 0.00 1.95 1.81 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 2.19 2.24 0.00 79 P 0.00 4.49 0.00 2.18 2.07 0.00 3.92 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 80 N 8.45 4.18 0.00 2.89 2.93 0.00 0.00 6.93 7.69 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 7.69 4.24 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.58 2.40 0.00 82 N 8.46 5.48 0.00 2.77 2.78 0.00 0.00 6.99 7.79 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 83 N 9.49 5.17 0.00 2.54 2.78 0.00 0.00 6.90 7.29 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 84 W 9.67 5.25 0.00 3.30 3.03 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 85 L 8.69 5.13 0.00 0.74 0.54 0.69 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.80 4.90 0.00 1.76 1.61 0.00 2.59 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 87 T 8.10 2.97 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 0.29 0.00 0.00 88 N 8.23 4.75 0.00 2.90 3.09 0.00 0.00 5.95 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 89 W 8.87 3.49 0.00 2.99 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 90 I 7.27 3.89 0.56 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.16 0.49 0.00 0.00 91 S 7.84 3.51 0.00 3.56 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 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 K 8.47 4.78 0.00 1.79 1.74 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.35 1.60 7.81 121 E 8.66 4.78 0.00 2.03 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 0.00 2.33 2.28 0.00 122 T 7.69 5.26 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 1.22 0.00 0.00 123 F 8.64 5.16 0.00 3.44 3.14 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 0.00 124 N 9.21 5.19 0.00 2.83 2.44 0.00 0.00 6.90 6.29 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 0.00 125 L 8.27 5.11 0.00 1.71 1.51 0.96 0.75 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 0.00 126 Y 8.98 5.56 0.00 2.91 3.09 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 0.00 127 Y 9.28 5.76 0.00 3.35 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.08 0.00 0.00 172 R 9.09 4.73 0.00 1.68 1.68 0.00 3.27 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 173 E 8.66 4.64 0.00 1.50 1.56 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 1.71 1.47 0.00 174 I 8.51 4.20 1.23 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.22 0.59 0.00 0.00 175 G 8.15 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 P 0.00 4.70 0.00 1.96 1.89 0.00 3.63 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 177 L 7.95 4.51 0.00 1.45 1.65 0.15 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 178 S 8.60 4.40 0.00 3.95 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 0.00 179 K 7.85 4.56 0.00 1.79 1.97 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.52 7.81 180 K 8.93 4.21 0.00 2.22 2.10 0.00 2.02 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.67 7.81 181 G 8.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 F 7.43 5.21 0.00 3.28 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 0.00 183 Y 8.98 4.91 0.00 3.20 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 0.00 184 L 8.38 5.37 0.00 1.35 1.17 1.04 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 0.00 185 A 8.70 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 F 8.81 5.10 0.00 2.26 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 0.00 187 Q 9.06 4.52 0.00 0.93 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.15 1.92 0.00 188 D 9.50 5.07 0.00 2.54 2.27 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 0.00 189 V 8.22 5.10 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 1.21 0.00 0.00 0.98 0.00 0.00 190 G 7.24 3.37 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 0.00 191 A 8.81 5.04 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 0.00 192 C 8.36 4.85 0.00 2.97 2.97 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 0.00 0.00 0.00 193 I 8.62 5.25 1.65 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 1.20 0.81 0.90 0.00 0.00 194 A 8.87 4.75 1.34 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 0.00 0.00 0.00 195 L 9.39 4.52 0.00 1.62 1.73 0.84 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 196 V 8.93 4.12 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 0.79 0.00 0.00 1.05 0.00 0.00 197 S 7.77 4.72 0.00 3.95 3.71 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 0.00 198 V 9.30 5.07 2.57 0.00 0.00 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 1.11 0.00 0.00 199 K 9.45 5.28 0.00 1.93 1.86 0.00 1.66 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.56 1.46 7.81 200 V 9.25 5.13 2.22 0.00 0.00 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 1.09 0.00 0.00 201 Y 8.46 5.53 0.00 3.21 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 0.00 202 Y 8.84 5.47 0.00 3.24 3.08 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 0.00 203 K 8.91 5.03 0.00 1.78 1.79 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.55 7.81 204 K 8.84 4.39 0.00 1.64 1.77 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.60 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.