NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3779 8.3344 115.4114 58.2847 64.5445 173.2777 2 M 4.2221 8.0967 118.3794 55.0621 30.5545 176.0733 3 Q 4.0556 7.9993 118.7459 58.1077 30.5390 176.0772 4 D 4.6738 7.3047 116.7457 51.3164 42.4509 173.3356 5 P 4.3602 0.0000 0.0000 65.8297 32.2454 178.7861 6 I 3.5872 8.1004 120.0842 64.0559 36.8778 177.5919 7 A 3.9309 8.3220 121.2313 55.4192 18.1118 178.8777 8 D 4.3345 7.7986 117.0203 56.9889 40.9873 178.3176 9 M 3.9225 7.8746 116.3032 58.7642 32.6312 177.3826 10 L 4.0356 7.6726 118.7925 58.1817 41.5919 179.5941 11 T 3.7924 8.2572 109.5036 65.2458 68.5582 176.4729 12 R 4.0301 8.5171 121.4501 58.7789 29.9103 178.8186 13 I 3.8529 7.6390 120.3442 63.9200 37.2112 178.1738 14 R 3.8906 7.8503 116.1601 59.6117 29.2573 178.2684 15 N 4.3997 8.3076 117.2254 55.9329 38.3600 177.5760 16 G 3.6086 7.5764 105.5817 48.1163 0.0000 175.1606 17 Q 4.2002 8.5104 121.3474 58.7439 28.4410 179.4749 18 A 4.0745 7.9461 120.5636 54.9732 18.5899 178.7735 19 A 4.3774 7.6828 115.4928 50.9649 19.5857 176.9105 20 N 4.2228 7.7197 115.9524 53.8278 35.8480 173.1334 21 K 4.6004 9.2152 118.8427 53.7522 35.4670 175.8996 22 A 3.9215 8.2081 123.6636 54.7487 19.2102 179.4309 23 A 5.2024 7.3664 122.5744 50.9718 21.4162 175.2225 24 V 4.5359 8.1875 111.9087 61.5576 34.9712 173.7251 25 T 4.8854 8.3877 120.4879 62.2152 70.8256 174.0099 26 M 4.4531 7.9615 121.7493 54.1658 33.4868 172.4245 27 P 5.1225 0.0000 0.0000 62.5119 31.8465 176.4586 28 S 4.4832 8.6724 119.8464 57.8493 64.3700 173.4276 29 S 4.6329 8.0952 114.4476 55.5987 66.7307 174.5965 30 K 3.8190 8.6373 122.6094 59.9601 31.7904 178.1425 31 L 3.9564 7.8259 119.4501 58.2850 42.2798 178.6358 32 K 3.7632 7.6661 118.4299 60.0466 31.9164 178.8625 33 V 3.3706 7.8836 118.2403 65.4240 31.5381 177.5370 34 A 3.9840 7.7487 118.8698 55.5610 18.3025 179.7950 35 I 3.5761 7.8883 117.6174 64.5341 37.1227 178.5147 36 A 3.8321 7.6893 121.5717 54.8553 18.0550 178.9653 37 N 4.2573 8.3151 115.8667 57.1277 39.1856 177.0410 38 V 3.6977 7.5827 118.8762 66.2524 31.3974 177.9202 39 L 4.2776 7.8006 118.0294 57.3931 41.2802 179.3530 40 K 4.2437 7.8810 119.4286 59.2965 32.2976 178.6191 41 E 4.0275 8.6317 117.4108 58.4495 29.5348 177.6255 42 E 4.3039 8.1526 116.1437 55.6641 31.2264 175.6285 43 G 3.5495 9.1802 106.9302 45.3646 0.0000 172.8438 44 F 5.2709 8.2011 114.7903 57.7119 44.6338 175.8306 45 I 4.3758 7.7306 110.7222 59.0836 39.8991 174.1686 46 E 3.8956 8.5153 125.6479 59.5995 29.0297 178.7511 47 D 4.7351 8.0947 118.1586 55.1145 45.6725 173.4785 48 F 5.8477 7.6987 111.5816 58.0876 40.3194 173.0042 49 K 4.7860 8.4425 120.4729 55.0921 36.4368 175.1738 50 V 4.9514 8.1698 122.1840 58.3988 31.4448 174.7950 51 E 4.0994 8.7762 129.7235 57.4580 31.4787 172.1220 52 G 4.3285 8.3615 116.9542 46.3746 0.0000 174.3568 53 D 4.4378 8.7189 124.6161 57.2385 41.6869 178.0777 54 T 3.9122 8.0167 111.9241 64.2622 67.3691 174.2705 55 K 4.4491 7.7038 124.0280 53.3666 33.5069 172.9850 56 P 4.8549 0.0000 0.0000 62.6159 32.1322 175.6062 57 E 5.1444 8.9560 125.0203 56.1109 33.0928 175.1046 58 L 4.5587 7.6211 121.8923 54.9786 44.1199 177.1472 59 E 4.4070 9.0236 132.7277 55.6356 27.7587 177.6063 60 L 4.2981 7.9472 121.7260 55.5259 43.3429 176.8363 61 T 4.6514 8.7973 124.8418 63.1795 69.6055 174.6318 62 L 4.5304 8.9040 127.1838 54.3187 42.7698 176.2404 63 K 4.8514 8.4383 122.5735 55.0970 35.4256 174.4026 64 Y 5.3047 8.6575 121.8688 56.5261 43.7763 175.5793 65 F 5.4126 9.0733 122.7050 59.0210 39.3619 177.9253 66 Q 4.3767 8.6150 124.9141 55.4991 27.6792 176.9760 67 G 4.0305 8.7547 116.1454 46.1856 0.0000 172.0861 68 K 4.6897 7.7322 119.2024 54.1275 35.7375 174.9273 69 A 4.7286 8.3935 124.0226 51.0072 19.7117 177.7925 70 V 3.7223 7.8876 122.1582 66.1323 31.5965 178.1034 71 V 3.8128 7.3937 122.5031 62.7570 29.1227 175.0318 72 E 4.0985 8.5097 124.0884 58.6670 30.3275 177.9372 73 S 4.5390 7.5327 109.8477 57.5193 65.7665 175.1227 74 I 4.6580 8.2374 126.5359 60.2692 40.6000 173.4744 75 Q 4.7035 8.5632 127.3680 53.7526 33.1541 174.8095 76 R 3.7854 8.4484 121.2071 56.8979 30.5740 174.0708 77 V 3.9039 8.3625 120.3724 63.3151 33.4188 176.2180 78 S 4.3011 7.4047 119.0514 57.1853 61.9093 174.4865 79 R 3.9874 7.5546 116.6523 55.4034 29.9979 174.4685 80 P 4.3168 0.0000 0.0000 63.0840 31.9137 176.6240 81 G 4.0224 8.5558 104.2771 45.8150 0.0000 173.7854 82 L 4.4898 7.1480 114.6512 54.3931 44.3146 173.5872 83 R 4.0534 7.7978 119.6205 56.6098 31.6271 177.0105 84 I 4.5451 8.3518 119.9397 60.3772 41.1291 173.9769 85 Y 5.0143 8.8362 124.5538 56.0259 40.6550 175.3707 86 K 4.8077 8.4773 121.2492 54.6958 36.7667 176.3408 87 R 4.4928 8.4198 121.5948 54.5027 31.6537 177.5839 88 K 3.9195 8.7031 118.5137 59.9914 32.0995 177.1685 89 D 4.9004 7.9345 116.5798 52.9603 39.7999 176.5182 90 E 4.4580 8.5367 121.5559 57.1832 31.7372 175.9472 91 L 3.8461 8.1921 117.8666 54.5474 41.7546 175.3764 92 P 4.4471 0.0000 0.0000 62.1988 32.2735 175.9575 93 K 4.2580 7.9299 117.1957 53.9112 33.1254 176.2997 94 V 3.1652 8.0560 124.2315 64.3285 32.2339 175.8256 95 M 3.0303 9.3616 127.4327 57.4317 30.4066 176.4086 96 A 3.9242 9.1230 114.6590 53.0563 17.0486 177.5492 97 G 4.0325 8.0485 109.4753 47.4178 0.0000 176.4784 98 L 4.2431 8.2244 117.6451 55.6151 41.4804 175.9573 99 G 4.5401 7.6127 106.0096 44.2668 0.0000 171.9637 100 I 4.8546 8.9712 112.0342 58.9722 41.1727 174.8573 101 A 5.1563 8.8690 125.5110 48.6802 20.8927 174.8108 102 V 3.9334 8.3509 121.1881 64.0366 32.7955 174.8150 103 V 4.8627 8.7727 127.6172 61.1256 35.1681 173.9473 104 S 4.7820 9.2800 123.3998 57.4525 63.6859 173.0567 105 T 5.0027 8.9169 117.4376 59.4643 71.9896 174.8860 106 S 4.3947 8.8100 113.9720 59.4679 62.2413 174.0699 107 K 4.3906 9.2292 117.2046 56.6088 33.4013 175.6200 108 G 4.2634 6.8489 105.8409 43.3636 0.0000 173.1255 109 V 4.7477 7.6302 120.1783 60.4665 31.1346 174.8300 110 M 4.9030 7.8888 128.6425 54.0601 34.3834 175.3854 111 T 4.6806 8.1477 112.0485 61.2394 72.0246 175.2876 112 D 4.2665 8.2034 121.0290 56.7285 39.2265 178.2421 113 R 3.8679 8.1170 120.3512 58.9047 29.9317 177.6375 114 A 3.9599 7.7603 119.8485 55.4243 18.3127 179.4212 115 A 3.9645 7.9644 118.8908 55.1705 18.3688 179.7558 116 R 3.7978 8.7016 117.5380 59.8878 30.0360 178.7834 117 Q 3.9752 8.1434 116.4467 58.9212 28.8075 178.5627 118 A 4.1593 7.8993 120.7961 53.1726 18.4183 177.7100 119 G 3.8368 8.9534 105.2239 45.7720 0.0000 173.2661 120 L 4.7167 7.6782 118.0294 53.8435 43.6541 176.0343 121 G 4.0464 8.5355 109.1857 45.3056 0.0000 172.1288 122 G 4.4903 8.0354 105.1847 45.5700 0.0000 172.7381 123 E 4.0729 8.3988 121.7979 56.1768 30.4546 176.6959 124 I 4.1132 7.9417 127.6136 61.8435 38.0599 174.7157 125 I 4.5158 8.8226 121.3879 62.2158 39.2483 175.8478 126 C 4.9542 7.6800 113.5037 56.6341 33.6129 172.1233 127 Y 5.4504 7.5770 113.4510 55.6221 36.6589 177.4194 128 V 3.5303 7.7158 119.3611 63.0037 33.1649 176.5407 129 A 4.2618 8.8019 129.6829 52.2532 17.8190 176.9109 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 S 8.33 4.38 0.00 3.99 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 2 M 8.10 4.22 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 3 Q 8.00 4.06 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 4 D 7.30 4.67 0.00 2.71 2.52 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 0.00 0.00 0.00 5 P 0.00 4.36 0.00 2.23 2.27 0.00 3.75 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 2.04 1.97 0.00 6 I 8.10 3.59 1.92 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 1.53 1.31 0.85 0.00 0.00 7 A 8.32 3.93 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 8 D 7.80 4.33 0.00 2.72 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 9 M 7.87 3.92 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 10 L 7.67 4.04 0.00 1.80 1.64 0.84 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.26 3.79 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 1.21 0.00 0.00 12 R 8.52 4.03 0.00 2.10 2.03 0.00 3.45 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 13 I 7.64 3.85 2.06 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 1.55 0.74 0.84 0.00 0.00 14 R 7.85 3.89 0.00 1.99 2.15 0.00 2.96 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 15 N 8.31 4.40 0.00 2.83 2.92 0.00 0.00 6.93 7.01 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 16 G 7.58 3.61 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 0.00 17 Q 8.51 4.20 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 18 A 7.95 4.07 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 19 A 7.68 4.38 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 20 N 7.72 4.22 0.00 2.79 2.72 0.00 0.00 6.68 7.50 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 21 K 9.22 4.60 0.00 1.75 1.72 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.40 7.81 22 A 8.21 3.92 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 23 A 7.37 5.20 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 24 V 8.19 4.54 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 0.78 0.00 0.00 0.94 0.00 0.00 25 T 8.39 4.89 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 1.23 0.00 0.00 26 M 7.96 4.45 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 27 P 0.00 5.12 0.00 2.09 2.13 0.00 3.36 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.80 0.00 28 S 8.67 4.48 0.00 3.99 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.10 4.63 0.00 4.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.64 3.82 0.00 1.84 1.88 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.55 7.81 31 L 7.83 3.96 0.00 1.78 1.61 0.90 0.62 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 32 K 7.67 3.76 0.00 2.02 1.82 0.00 1.84 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.45 7.81 33 V 7.88 3.37 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 1.02 0.00 0.00 0.99 0.00 0.00 34 A 7.75 3.98 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 35 I 7.89 3.58 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.00 0.85 0.00 0.00 36 A 7.69 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.32 4.26 0.00 2.77 3.06 0.00 0.00 6.80 7.57 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 38 V 7.58 3.70 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 1.03 0.00 0.00 1.00 0.00 0.00 39 L 7.80 4.28 0.00 1.94 1.82 0.86 0.61 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 40 K 7.88 4.24 0.00 2.07 2.27 0.00 1.78 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.55 7.81 41 E 8.63 4.03 0.00 1.98 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 2.64 2.51 0.00 42 E 8.15 4.30 0.00 2.30 1.83 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 2.26 2.42 0.00 43 G 9.18 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 44 F 8.20 5.27 0.00 3.09 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 45 I 7.73 4.38 2.15 0.00 0.00 1.00 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 0.70 0.98 0.00 0.00 46 E 8.52 3.90 0.00 1.89 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 2.37 2.51 0.00 47 D 8.09 4.74 0.00 2.63 2.37 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 48 F 7.70 5.85 0.00 2.99 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 49 K 8.44 4.79 0.00 1.84 1.73 0.00 1.55 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.62 1.53 7.81 50 V 8.17 4.95 2.16 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 1.04 0.00 0.00 1.01 0.00 0.00 51 E 8.78 4.10 0.00 2.39 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 2.32 2.42 0.00 52 G 8.36 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 0.00 0.00 0.00 0.00 53 D 8.72 4.44 0.00 2.68 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 T 8.02 3.91 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 1.22 0.00 0.00 55 K 7.70 4.45 0.00 1.81 1.71 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.38 7.81 56 P 0.00 4.85 0.00 2.12 2.20 0.00 3.83 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 2.08 1.85 0.00 57 E 8.96 5.14 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 58 L 7.62 4.56 0.00 1.87 1.58 0.86 1.03 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 59 E 9.02 4.41 0.00 2.05 1.95 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 2.36 2.29 0.00 60 L 7.95 4.30 0.00 1.85 1.61 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.80 4.65 4.32 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 1.28 0.00 0.00 62 L 8.90 4.53 0.00 2.08 1.63 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.44 4.85 0.00 1.93 1.77 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 64 Y 8.66 5.30 0.00 2.95 3.07 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 65 F 9.07 5.41 0.00 2.86 2.39 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 66 Q 8.62 4.38 0.00 1.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 67 G 8.75 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 68 K 7.73 4.69 0.00 1.88 1.71 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.48 7.81 69 A 8.39 4.73 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 70 V 7.89 3.72 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 0.91 0.00 0.00 1.01 0.00 0.00 71 V 7.39 3.81 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.86 0.00 0.00 72 E 8.51 4.10 0.00 2.13 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 0.00 2.27 2.26 0.00 73 S 7.53 4.54 0.00 3.85 3.65 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 0.00 0.00 0.00 0.00 74 I 8.24 4.66 1.68 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 1.25 0.68 0.81 0.00 0.00 75 Q 8.56 4.70 0.00 2.01 1.85 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 2.30 2.33 0.00 76 R 8.45 3.79 0.00 1.72 1.73 0.00 3.33 0.00 0.00 3.06 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 77 V 8.36 3.90 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 0.43 0.00 0.00 -0.31 0.00 0.00 78 S 7.40 4.30 0.00 3.68 3.73 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 79 R 7.55 3.99 0.00 1.90 1.87 0.00 3.05 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 80 P 0.00 4.32 0.00 2.22 2.21 0.00 3.80 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 2.04 1.94 0.00 81 G 8.56 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.15 4.49 0.00 1.50 1.51 0.89 1.40 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 83 R 7.80 4.05 0.00 2.04 1.76 0.00 3.54 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 84 I 8.35 4.55 1.71 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 1.18 1.14 0.88 0.00 0.00 85 Y 8.84 5.01 0.00 2.78 2.86 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 86 K 8.48 4.81 0.00 1.79 1.69 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.57 7.81 87 R 8.42 4.49 0.00 1.89 1.87 0.00 3.17 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 88 K 8.70 3.92 0.00 1.87 1.99 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.46 7.81 89 D 7.93 4.90 0.00 2.78 2.79 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 90 E 8.54 4.46 0.00 1.84 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 91 L 8.19 3.85 0.00 1.68 1.67 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.45 0.00 1.97 2.07 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.14 0.00 93 K 7.93 4.26 0.00 1.66 1.72 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.34 7.81 94 V 8.06 3.17 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.60 0.00 0.00 95 M 9.36 3.03 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 96 A 9.12 3.92 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 97 G 8.05 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 98 L 8.22 4.24 0.00 1.72 1.73 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.61 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 0.00 0.00 0.00 0.00 100 I 8.97 4.85 1.98 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 1.51 1.00 1.19 0.00 0.00 101 A 8.87 5.16 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 0.00 102 V 8.35 3.93 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 0.92 0.00 0.00 0.94 0.00 0.00 103 V 8.77 4.86 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 0.96 0.00 0.00 1.06 0.00 0.00 104 S 9.28 4.78 0.00 3.87 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 0.00 105 T 8.92 5.00 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 1.23 0.00 0.00 106 S 8.81 4.39 0.00 3.87 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 0.00 107 K 9.23 4.39 0.00 1.78 1.80 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.49 7.81 108 G 6.85 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 0.00 109 V 7.63 4.75 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 1.20 0.00 0.00 0.93 0.00 0.00 110 M 7.89 4.90 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 111 T 8.15 4.68 4.27 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 1.24 0.00 0.00 112 D 8.20 4.27 0.00 2.87 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 0.00 113 R 8.12 3.87 0.00 1.86 1.99 0.00 3.35 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 114 A 7.76 3.96 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 0.00 115 A 7.96 3.96 1.41 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 0.00 0.00 116 R 8.70 3.80 0.00 1.97 2.13 0.00 3.10 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 117 Q 8.14 3.98 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 118 A 7.90 4.16 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 0.00 119 G 8.95 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 0.00 120 L 7.68 4.72 0.00 1.57 1.60 0.93 1.05 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 0.00 121 G 8.54 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 0.00 122 G 8.04 4.49 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 0.00 123 E 8.40 4.07 0.00 1.85 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 1.99 1.47 0.00 124 I 7.94 4.11 1.77 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.63 1.00 0.00 0.00 125 I 8.82 4.52 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 1.23 0.54 0.84 0.00 0.00 126 C 7.68 4.95 0.00 2.94 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 0.00 127 Y 7.58 5.45 0.00 2.79 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 0.00 128 V 7.72 3.53 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 -0.14 0.00 0.00 0.76 0.00 0.00 129 A 8.80 4.26 1.24 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 0.00 0.00