NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5287 8.1627 120.3616 55.9784 34.4173 177.2820 2 M 3.9516 8.1255 117.5472 57.9604 32.2832 176.1407 3 D 4.3448 8.3896 117.9532 57.4692 41.8046 177.0622 4 Y 4.1301 7.9336 119.5649 60.7833 38.8788 177.7811 5 L 3.7583 8.3725 120.2742 57.5344 41.4304 179.6509 6 I 3.8801 7.8148 119.4682 64.7405 37.2501 178.4132 7 T 4.1161 8.1482 109.3254 63.8006 68.7247 175.1511 8 Q 4.3097 7.6406 118.7653 54.6545 29.4013 175.4343 9 N 4.1000 7.9469 114.1668 54.2575 36.2410 174.6241 10 G 3.9748 8.7473 100.0518 45.2096 0.0000 174.8532 11 G 3.8883 7.8691 110.9349 47.3214 0.0000 175.5367 12 M 4.0088 8.2056 120.2247 59.1228 32.0373 178.5059 13 V 3.5155 7.5375 111.7413 64.3361 31.5482 178.5432 14 F 4.4510 7.8650 116.9420 60.2848 38.7968 177.7434 15 A 4.0805 8.1224 120.2301 54.9249 18.2117 179.7004 16 V 3.5086 8.0044 117.0066 66.1121 31.6490 177.9488 17 L 4.0022 8.0936 119.8610 58.0728 41.8191 178.8139 18 A 4.2150 8.1682 122.0971 54.9810 18.3943 179.4711 19 M 3.9914 8.1277 116.9485 58.4066 32.0106 178.8119 20 A 3.9740 8.1689 121.0595 55.3196 18.4362 179.6047 21 T 3.9914 8.4611 108.4113 65.1538 68.6718 176.0997 22 A 4.1072 8.2153 124.3048 55.0089 18.4057 179.8145 23 T 3.8969 7.9191 113.8560 66.8977 68.5455 177.0060 24 I 3.5183 8.0072 121.9305 64.6517 37.2767 178.6994 25 F 4.1356 7.8789 118.2196 60.2367 38.7021 178.1722 26 S 4.3234 7.8844 113.9456 61.3336 62.8988 176.7909 27 G 3.5957 8.2464 109.4104 47.5298 0.0000 175.7493 28 I 3.7985 8.1651 122.7273 63.9145 37.1048 178.6150 29 G 3.6596 7.9200 106.1280 48.0598 0.0000 175.9048 30 S 4.5471 8.3648 119.1986 60.6353 62.7946 176.5751 31 A 3.9143 8.3757 123.8609 55.1768 18.0353 179.9362 32 K 4.0208 8.3660 117.1833 59.3976 32.1776 179.9530 33 G 3.5492 8.1810 105.9867 47.9321 0.0000 175.9588 34 V 3.9698 8.0342 123.4421 64.7837 31.4877 178.1942 35 G 3.5915 8.2872 105.8299 48.1364 0.0000 175.2680 36 M 4.2224 8.4241 121.8961 58.5219 32.2175 178.5227 37 T 4.0443 8.1544 116.0144 66.3824 68.4956 176.9046 38 G 3.6982 8.4097 108.0943 47.8856 0.0000 175.5766 39 E 3.9756 8.3455 120.6059 59.1551 29.5116 179.3624 40 A 3.9880 7.9146 120.2302 55.0380 18.4463 179.5396 41 A 3.9551 8.4798 119.5725 55.2375 18.3059 179.7327 42 A 3.9792 8.4661 119.4855 55.2440 18.2324 179.7265 43 A 3.9562 7.7936 118.3420 55.1802 18.7606 179.2742 44 L 4.0641 8.0325 118.8745 58.6953 40.7898 179.3933 45 T 4.2645 8.0365 115.6269 66.3476 68.0875 176.6676 46 T 4.1149 7.6468 111.5600 63.7613 68.7478 175.6630 47 S 4.6917 7.5108 113.0111 58.0666 66.3889 174.3197 48 Q 4.7648 8.4113 120.6986 53.4620 28.6889 174.2780 49 P 4.4619 0.0000 0.0000 64.8218 32.1740 178.9534 50 E 4.1583 8.1750 116.0657 58.1536 29.8747 177.2660 51 K 4.4745 8.0408 119.4978 56.5099 32.6084 177.9161 52 F 4.3119 8.3145 123.9683 61.5253 39.2809 177.3778 53 G 3.4854 8.1516 104.5439 48.0974 0.0000 175.4916 54 Q 3.9775 7.9816 120.1208 58.3029 28.7600 178.5123 55 A 3.9318 7.9375 122.0147 54.9580 18.5369 179.4443 56 L 3.6917 7.8951 119.2774 58.1133 41.8419 179.1711 57 I 3.6157 7.1734 118.2805 64.4687 37.1617 177.9843 58 L 4.0971 7.7927 119.6878 57.9236 41.3473 179.4325 59 Q 3.9455 8.0201 119.4254 58.9852 28.9716 177.9295 60 L 4.2327 7.7449 118.8102 56.1908 41.5340 178.9483 61 L 3.9398 7.2879 118.9548 57.6383 41.7276 176.8958 62 P 5.3309 0.0000 0.0000 62.6190 31.0892 177.9079 63 G 3.8357 8.1159 107.0164 46.1416 0.0000 176.2408 64 T 3.7064 7.7216 111.6378 63.9613 69.1049 176.4986 65 Q 4.3312 8.3017 121.0675 59.3760 28.8147 179.4139 66 G 3.7077 8.4783 106.5473 47.7009 0.0000 175.7418 67 L 3.9881 7.1563 118.8299 57.7939 41.5802 178.9823 68 Y 4.2443 7.9535 117.1321 61.0984 37.7529 179.0063 69 G 4.2928 8.3421 107.9041 47.3407 0.0000 175.3549 70 F 4.1662 8.4486 123.2921 61.0462 39.3367 177.3263 71 V 3.7342 8.3793 117.9371 66.1490 31.4078 177.9638 72 I 3.8017 8.3913 119.3725 64.4853 37.0292 178.1723 73 A 4.0077 8.2960 121.7091 55.2871 18.1766 179.5187 74 F 3.9462 8.3350 119.2869 61.1245 39.1723 177.1964 75 L 3.9597 8.1266 119.6488 58.0160 42.1459 178.7661 76 I 3.5883 7.8080 119.9115 63.9900 36.8466 177.8811 77 F 3.9518 7.9538 121.7854 61.3412 38.9904 177.0383 78 I 3.5488 7.1908 109.6568 62.3521 37.4412 176.5820 79 N 4.8835 7.3782 117.5210 52.5945 38.8480 174.5708 80 L 4.5343 6.9482 119.2288 55.4230 41.1862 178.1801 81 G 3.8456 7.6873 109.2224 44.9465 0.0000 173.0509 82 S 4.6576 7.3329 115.6227 57.4967 65.7184 174.2051 83 D 4.8695 8.3528 112.8353 52.7723 39.3227 175.9167 84 M 4.0534 8.0688 118.3714 56.7523 33.2696 176.2685 85 S 4.4678 8.4807 120.7910 57.8577 65.6507 175.4248 86 V 3.7533 8.2615 121.8044 66.0486 31.2227 178.1093 87 V 3.4745 7.8090 117.5713 66.2611 31.3553 177.5907 88 Q 3.9345 7.9804 118.6902 59.0233 28.8839 178.4679 89 G 3.9190 8.3272 106.7095 48.0708 0.0000 175.7107 90 L 3.9542 8.4642 122.1425 57.3211 41.4856 179.2656 91 N 4.2441 8.4423 116.8974 56.4203 38.5472 177.4228 92 F 4.2705 8.1830 119.0463 60.3238 38.7567 177.4431 93 L 4.1851 8.0676 119.1915 58.2959 42.1293 178.9920 94 G 3.7552 8.5709 105.8365 47.7874 0.0000 175.4310 95 A 4.0783 8.2838 123.4262 54.8545 18.4855 179.6035 96 S 4.2981 8.0762 111.8626 60.7398 63.2877 176.7505 97 L 4.1933 7.7842 123.4425 57.3442 41.3993 177.2233 98 P 4.3567 0.0000 0.0000 65.9489 31.3647 178.5191 99 I 3.8566 7.9939 116.9527 63.7547 37.8903 177.5965 100 A 3.9325 7.9856 121.4185 55.2766 18.2294 179.3298 101 F 4.5668 8.3299 115.6116 59.8244 39.4087 178.6409 102 T 4.2310 8.3258 109.9693 64.6076 68.5249 176.8109 103 G 3.7709 8.3184 108.6193 47.5573 0.0000 175.1550 104 L 3.9847 7.9768 123.2824 58.0416 42.0834 179.1856 105 F 4.2269 8.3806 117.7669 60.3955 38.9731 178.1417 106 S 4.3959 8.7172 114.3323 61.1932 62.8599 176.7439 107 G 3.6781 8.2629 109.4434 47.7208 0.0000 175.7746 108 I 3.7218 7.6196 122.2163 64.0279 36.8239 178.3576 109 A 4.0606 8.2400 121.7029 55.3519 18.2262 179.5000 110 Q 4.0769 8.8275 118.6072 59.0940 29.0612 178.3282 111 G 3.7842 8.2753 106.9265 48.0754 0.0000 175.7115 112 K 4.0381 7.8561 120.9397 59.0369 32.0246 179.7540 113 V 3.5825 7.5611 117.9487 65.8915 31.3853 177.9426 114 A 4.0174 8.5164 120.7891 55.1516 17.9980 179.4091 115 A 3.9400 8.2354 118.3787 55.3625 18.6323 179.4762 116 A 4.1897 8.2304 119.3596 55.1531 18.3901 180.1015 117 G 3.6682 8.2854 104.3422 47.7765 0.0000 175.9101 118 I 3.7669 7.5137 122.1663 64.6353 37.0907 178.4238 119 Q 4.0146 8.0088 118.7405 58.7080 28.3757 178.8217 120 I 3.7352 7.7386 120.6109 64.3255 37.0529 177.8236 121 L 3.8281 7.7548 119.6086 58.1757 41.8944 178.6459 122 A 4.1359 8.0585 119.9031 54.8335 18.4373 178.9997 123 K 4.3321 7.9841 114.9783 57.1181 34.5650 177.5800 124 K 4.7170 8.5750 117.9243 53.6193 32.6176 174.9651 125 P 4.5022 0.0000 0.0000 65.6338 31.7162 179.1527 126 E 4.0726 8.1871 115.1187 58.3255 29.8379 176.9006 127 H 4.7810 8.5396 116.8527 55.5720 29.4002 176.0394 128 A 4.0499 7.8677 124.7688 55.6691 17.9386 180.5941 129 T 3.8070 7.9289 113.7838 66.7474 68.4741 176.5259 130 K 3.7192 8.0947 120.5854 59.3288 32.1217 179.5346 131 G 3.7438 7.9418 105.4677 47.7539 0.0000 175.7745 132 I 3.7172 7.6635 121.6819 64.2137 37.0537 178.3960 133 I 3.6244 7.7121 120.4740 64.3581 36.7081 178.2258 134 F 4.5213 7.5269 116.9589 60.9883 38.9939 177.4667 135 A 4.2131 8.1721 119.6114 55.0803 17.9841 179.5083 136 A 4.0718 8.2496 118.4967 55.1747 18.4463 179.4258 137 M 4.2134 7.6911 116.9063 57.8024 32.5729 177.5196 138 V 4.0834 7.6735 120.3666 63.2176 31.5704 177.8339 *140 T 4.0766 7.9834 117.1909 63.6979 70.5142 176.4794 141 Y 4.1579 7.1536 118.3252 60.4579 37.8155 177.9973 142 A 4.1326 8.0516 121.7562 54.9316 18.4967 179.5133 143 I 3.1999 7.5354 117.8627 64.4230 37.2887 178.4176 144 L 4.0732 8.0375 119.9102 57.7411 41.3959 179.8068 145 G 3.8841 8.0948 106.9784 47.1946 0.0000 175.3984 146 F 4.2180 8.6248 123.6416 61.0220 39.3107 177.3694 147 V 3.3859 8.1056 118.0686 65.9942 31.3099 178.0383 148 I 3.6960 7.8278 119.4614 64.5214 36.8796 178.5078 149 S 4.4015 8.1967 117.4167 60.8994 62.7845 176.5079 150 F 3.7486 8.4472 123.4432 61.3043 38.6859 177.1152 151 L 4.0674 8.1949 118.6281 57.9720 41.2053 179.6593 152 L 3.9860 7.8974 117.8850 57.4506 41.5815 179.3918 153 V 3.7855 7.9923 118.6380 66.0730 31.3129 178.1963 154 L 3.9717 7.5289 116.8366 56.6307 41.4278 177.8944 155 N 4.7166 7.1568 113.8627 52.9976 39.2086 174.2172 156 A 3.8191 7.2449 127.2712 52.7084 18.2762 177.6732 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 1 M 8.16 4.53 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 2 M 8.13 3.95 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.78 0.00 3 D 8.39 4.34 0.00 2.80 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 4 Y 7.93 4.13 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.37 3.76 0.00 1.93 1.74 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.81 3.88 2.08 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 1.60 0.55 0.92 0.00 0.00 7 T 8.15 4.12 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 1.27 0.00 0.00 8 Q 7.64 4.31 0.00 1.57 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.63 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 9 N 7.95 4.10 0.00 2.87 2.91 0.00 0.00 6.91 7.80 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 10 G 8.75 3.97 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 0.00 0.00 0.00 11 G 7.87 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 M 8.21 4.01 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 13 V 7.54 3.52 1.82 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 0.75 0.00 0.00 0.14 0.00 0.00 14 F 7.87 4.45 0.00 3.30 3.18 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 15 A 8.12 4.08 1.19 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 0.00 0.00 16 V 8.00 3.51 2.21 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 0.99 0.00 0.00 0.95 0.00 0.00 17 L 8.09 4.00 0.00 2.03 2.01 1.02 1.14 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 18 A 8.17 4.21 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 M 8.13 3.99 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.74 0.00 20 A 8.17 3.97 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 21 T 8.46 3.99 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 22 A 8.22 4.11 1.48 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 0.00 0.00 23 T 7.92 3.90 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 1.30 0.00 0.00 24 I 8.01 3.52 1.43 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 1.35 0.67 0.24 0.00 0.00 25 F 7.88 4.14 0.00 2.83 2.75 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 26 S 7.88 4.32 0.00 4.39 4.22 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 0.00 0.00 0.00 0.00 27 G 8.25 3.60 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 0.00 0.00 0.00 0.00 28 I 8.17 3.80 1.97 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 1.37 0.63 0.89 0.00 0.00 29 G 7.92 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.36 4.55 0.00 3.88 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 31 A 8.38 3.91 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 32 K 8.37 4.02 0.00 2.01 1.86 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.55 7.81 33 G 8.18 3.55 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 0.00 34 V 8.03 3.97 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 1.19 0.00 0.00 0.99 0.00 0.00 35 G 8.29 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 0.00 0.00 0.00 36 M 8.42 4.22 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 37 T 8.15 4.04 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 1.26 0.00 0.00 38 G 8.41 3.70 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 0.00 0.00 0.00 39 E 8.35 3.98 0.00 2.25 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 0.00 2.34 2.52 0.00 40 A 7.91 3.99 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 41 A 8.48 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.47 3.98 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 43 A 7.79 3.96 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 44 L 8.03 4.06 0.00 1.81 1.88 0.94 0.76 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 45 T 8.04 4.26 4.43 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 1.25 0.00 0.00 46 T 7.65 4.11 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 1.31 0.00 0.00 47 S 7.51 4.69 0.00 3.98 3.98 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 48 Q 8.41 4.76 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 49 P 0.00 4.46 0.00 2.20 2.41 0.00 3.71 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 2.07 1.95 0.00 50 E 8.17 4.16 0.00 2.12 2.14 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 2.30 2.29 0.00 51 K 8.04 4.47 0.00 2.03 1.86 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.38 7.81 52 F 8.31 4.31 0.00 3.18 3.10 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 53 G 8.15 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 0.00 0.00 0.00 54 Q 7.98 3.98 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 55 A 7.94 3.93 1.36 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 56 L 7.90 3.69 0.00 0.99 1.37 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.17 3.62 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.67 0.86 0.00 0.00 58 L 7.79 4.10 0.00 1.84 1.71 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.02 3.95 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 60 L 7.74 4.23 0.00 1.85 1.63 0.85 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.29 3.94 0.00 1.81 1.75 0.96 1.04 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 62 P 0.00 5.33 0.00 2.26 2.07 0.00 4.06 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.05 0.00 63 G 8.12 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.72 3.71 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 65 Q 8.30 4.33 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.79 2.68 0.00 66 G 8.48 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 0.00 0.00 0.00 67 L 7.16 3.99 0.00 1.54 1.51 0.72 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.95 4.24 0.00 3.24 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 69 G 8.34 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.45 4.17 0.00 3.25 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 71 V 8.38 3.73 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 1.18 0.00 0.00 72 I 8.39 3.80 2.20 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.23 1.00 0.00 0.00 73 A 8.30 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 74 F 8.34 3.95 0.00 2.75 3.10 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 75 L 8.13 3.96 0.00 1.88 1.87 0.81 0.61 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 76 I 7.81 3.59 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 0.29 0.00 0.00 77 F 7.95 3.95 0.00 2.99 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 78 I 7.19 3.55 1.69 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 1.54 0.61 0.49 0.00 0.00 79 N 7.38 4.88 0.00 2.83 2.94 0.00 0.00 6.74 7.68 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 80 L 6.95 4.53 0.00 1.45 1.31 0.63 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.69 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 82 S 7.33 4.66 0.00 3.92 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 83 D 8.35 4.87 0.00 2.73 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 84 M 8.07 4.05 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.65 0.00 85 S 8.48 4.47 0.00 4.09 3.98 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 86 V 8.26 3.75 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 0.88 0.00 0.00 1.11 0.00 0.00 87 V 7.81 3.47 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 1.01 0.00 0.00 0.90 0.00 0.00 88 Q 7.98 3.93 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.34 0.00 89 G 8.33 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 0.00 0.00 0.00 90 L 8.46 3.95 0.00 1.66 1.58 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.44 4.24 0.00 2.65 2.61 0.00 0.00 7.00 7.90 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 92 F 8.18 4.27 0.00 3.40 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.07 4.19 0.00 1.90 1.96 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.57 3.76 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 0.00 0.00 0.00 95 A 8.28 4.08 1.45 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 96 S 8.08 4.30 0.00 4.27 4.35 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 97 L 7.78 4.19 0.00 1.78 1.98 0.97 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.36 0.00 2.35 2.18 0.00 3.77 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 2.17 2.22 0.00 99 I 7.99 3.86 2.06 0.00 0.00 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 1.80 1.43 1.11 0.00 0.00 100 A 7.99 3.93 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 0.00 101 F 8.33 4.57 0.00 3.28 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.33 4.23 4.54 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 1.41 0.00 0.00 103 G 8.32 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 0.00 104 L 7.98 3.98 0.00 2.02 1.83 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.38 4.23 0.00 3.32 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 0.00 106 S 8.72 4.40 0.00 4.38 4.35 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 0.00 107 G 8.26 3.68 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 0.00 0.00 0.00 108 I 7.62 3.72 2.03 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.72 0.95 0.00 0.00 109 A 8.24 4.06 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 0.00 110 Q 8.83 4.08 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 111 G 8.28 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 0.00 112 K 7.86 4.04 0.00 1.98 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 113 V 7.56 3.58 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 1.13 0.00 0.00 1.04 0.00 0.00 114 A 8.52 4.02 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 0.00 115 A 8.24 3.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.23 4.19 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 0.00 117 G 8.29 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 0.00 118 I 7.51 3.77 2.06 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 1.72 0.93 0.96 0.00 0.00 119 Q 8.01 4.01 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 120 I 7.74 3.74 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.97 1.00 0.00 0.00 121 L 7.75 3.83 0.00 1.65 1.97 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.06 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.98 4.33 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.62 7.81 124 K 8.57 4.72 0.00 1.74 1.80 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.50 7.81 125 P 0.00 4.50 0.00 2.22 2.43 0.00 3.78 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 2.08 1.98 0.00 126 E 8.19 4.07 0.00 2.02 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 0.00 1.99 2.17 0.00 127 H 8.54 4.78 0.00 3.28 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.87 4.05 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 0.00 129 T 7.93 3.81 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 1.15 0.00 0.00 130 K 8.09 3.72 0.00 1.91 1.56 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.41 7.81 131 G 7.94 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 0.00 132 I 7.66 3.72 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.68 0.88 0.00 0.00 133 I 7.71 3.62 1.69 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.67 0.80 0.00 0.00 134 F 7.53 4.52 0.00 3.22 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.17 4.21 1.44 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 0.00 0.00 136 A 8.25 4.07 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 0.00 137 M 7.69 4.21 0.00 2.06 2.39 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 3.02 0.00 138 V 7.67 4.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.03 0.00 0.00 *140 T 7.98 4.08 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 0.70 0.00 0.00 141 Y 7.15 4.16 0.00 3.21 3.13 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 0.00 0.00 0.00 0.00 142 A 8.05 4.13 1.44 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 0.00 0.00 143 I 7.54 3.20 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 1.53 0.87 0.82 0.00 0.00 144 L 8.04 4.07 0.00 1.75 1.76 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.09 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 0.00 0.00 0.00 146 F 8.62 4.22 0.00 2.82 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 0.00 147 V 8.11 3.39 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 1.02 0.00 0.00 0.97 0.00 0.00 148 I 7.83 3.70 1.90 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 1.74 0.73 0.93 0.00 0.00 149 S 8.20 4.40 0.00 4.11 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 0.00 150 F 8.45 3.75 0.00 2.56 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 0.00 151 L 8.19 4.07 0.00 1.89 1.72 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.90 3.99 0.00 1.80 1.69 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.99 3.79 1.93 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 1.12 0.00 0.00 1.08 0.00 0.00 154 L 7.53 3.97 0.00 1.75 1.65 0.96 0.56 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 0.00 155 N 7.16 4.72 0.00 2.72 2.75 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 0.00 156 A 7.24 3.82 0.17 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 * Residues marked with a * may have inaccurate shift predictions.