NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 P 4.4309 0.0000 0.0000 62.0588 32.5038 175.1326 21 S 4.1309 8.8250 108.2764 62.1513 62.6295 174.3952 22 L 4.9536 8.0237 120.7381 54.4197 43.3463 177.8047 23 A 4.0225 8.1254 123.6100 55.4121 18.1809 180.0549 24 D 4.2716 8.1496 116.8385 57.5210 41.0532 178.8085 25 S 4.1508 8.5464 115.8209 61.7456 62.8907 176.9095 26 K 3.9269 8.1350 120.7138 59.4927 31.6817 179.2634 27 A 4.0129 7.9279 121.1367 55.1551 18.2618 180.1183 28 V 3.6657 8.1226 117.7644 64.7071 31.5125 178.7203 29 L 4.2331 8.2476 119.9564 57.8009 41.4967 178.9151 30 N 4.2970 8.4126 117.1293 56.4675 38.7405 176.6884 31 Q 4.2364 8.5702 121.2934 59.2644 29.1722 178.2112 32 A 4.2011 8.4816 122.0130 55.1868 18.4995 179.5763 33 V 3.5760 8.1130 116.6062 66.1750 31.5745 178.1933 34 A 4.0716 8.3362 120.1795 55.5632 18.3398 179.4507 35 D 4.4352 8.5047 117.5339 57.4821 40.7867 179.1237 36 L 4.1919 8.7046 120.0293 57.7722 41.4955 179.6498 37 S 3.8786 7.8328 115.1644 61.5039 62.5948 176.9356 38 V 3.6472 7.8807 120.7433 65.7343 31.2130 177.9396 39 A 4.0259 8.5036 121.1646 55.3383 18.2054 179.0658 40 H 4.0059 8.5426 117.0380 59.3785 29.9455 177.4521 41 S 4.1174 7.8586 114.8006 61.4661 62.2173 176.2607 42 I 3.7152 7.9273 122.5012 64.3549 36.7693 178.3194 43 L 3.9437 8.0654 119.9675 58.1053 41.3660 179.1096 44 H 3.6682 8.1108 118.0579 58.9834 29.5861 177.0555 45 Q 4.3102 8.0111 121.3683 59.3395 28.7489 178.4606 46 V 3.6504 7.9763 119.2920 66.2240 31.3330 177.3311 47 H 4.1897 8.2741 117.1798 59.1843 29.7373 177.0449 48 W 4.6709 8.2887 119.4289 60.0016 28.9287 177.6099 49 Y 4.2501 8.6388 114.6884 57.4485 37.6802 175.2597 50 M 4.4521 7.5195 121.0108 55.9812 32.9784 175.6425 51 R 4.6305 8.6818 123.1257 55.4353 34.5868 173.7715 52 G 4.2682 9.0110 106.7426 42.9064 0.0000 173.3358 53 R 4.1838 8.3225 119.8390 57.4175 30.4033 177.3226 54 G 4.2754 9.4631 109.8495 45.5274 0.0000 175.1334 55 F 4.1263 8.6987 122.4290 61.9486 39.0528 176.7466 56 M 4.1682 8.3603 115.5540 58.1739 31.7704 177.1743 57 I 3.8034 7.5092 117.9571 63.0289 38.6496 177.4238 58 W 4.2065 8.2430 119.8465 59.2255 28.8358 178.0493 59 H 3.9331 8.2757 119.2814 58.7755 29.3183 175.6212 60 P 4.2271 0.0000 0.0000 65.4185 31.0389 178.1249 61 K 3.5727 7.3527 118.6499 59.5168 31.9099 178.6246 62 M 3.9684 7.9520 119.0047 58.3157 31.8034 178.2326 63 D 4.0708 7.4212 116.8750 57.0531 41.2663 178.1985 64 E 3.8812 7.7484 118.9917 59.5723 29.4062 178.8131 65 Y 4.4644 7.9693 117.0162 61.5836 37.8615 178.7081 66 M 4.0276 8.4587 119.9683 58.1614 31.9318 178.4478 67 E 3.8543 8.0785 119.5237 59.1877 29.8436 178.4571 68 E 3.6407 8.2593 119.3582 59.2739 29.7119 178.6969 69 I 3.6173 7.9443 120.1292 64.5928 37.2097 178.0422 70 D 4.4541 8.4362 119.9893 57.3398 40.6083 179.1652 71 G 3.5280 7.9689 106.1974 48.0608 0.0000 175.4232 72 Y 4.2973 7.6079 119.2293 60.6238 37.8111 178.2391 73 L 3.9987 8.0746 121.4469 58.0841 42.1529 178.7616 74 D 4.3357 8.1871 118.7964 57.4150 40.8081 178.5817 75 E 3.8810 8.0744 118.8559 59.8691 29.5373 179.5220 76 M 3.9337 8.2940 119.2358 58.1017 31.9309 179.0692 77 S 4.1291 8.2296 114.5795 61.5609 63.1763 176.4367 78 E 3.9223 8.1239 122.5320 58.9811 29.1958 179.3584 79 R 3.8363 7.9544 118.8107 59.1135 30.0180 178.2957 80 L 3.9230 7.9398 120.2021 58.2405 42.1055 179.0731 81 I 3.6849 7.9063 119.7725 64.7925 36.8338 178.6114 82 T 3.9007 8.0347 115.7053 66.2662 68.3302 175.8160 83 L 4.3511 7.7441 118.4592 54.9751 41.8948 177.5806 84 G 3.8521 8.1416 107.7944 45.3314 0.0000 173.8787 85 G 3.7993 7.9167 109.2801 43.7623 0.0000 173.5769 86 A 4.4930 7.9916 121.3306 49.0875 20.0878 174.1829 87 P 4.4922 0.0000 0.0000 63.1165 32.0894 176.8207 88 F 4.7535 8.5593 120.6309 58.5706 39.3340 176.3190 89 S 4.8142 8.8016 119.9592 56.0895 63.2559 174.6316 90 T 4.4540 6.7350 109.5342 60.0717 72.9501 173.2469 91 L 3.9861 8.2562 122.6102 57.8414 41.6672 179.7834 92 K 3.8875 7.8006 119.0797 59.4720 32.2328 178.5464 93 E 3.7052 7.7488 118.4103 59.2118 29.3474 179.2113 94 F 4.4211 7.5986 117.7245 60.8313 38.8348 177.6796 95 S 4.1286 8.2575 111.4458 61.6315 62.3227 175.8418 96 E 4.0748 8.3908 120.2678 58.8343 29.2418 178.2685 97 N 4.5376 7.8507 115.2302 53.7373 39.4513 175.8838 98 S 4.4969 7.4625 114.4717 58.4766 62.9349 173.8869 99 Q 4.2799 9.0204 124.5767 56.3500 29.1181 176.3671 100 L 4.0162 7.5628 121.0799 54.4151 42.5135 176.8773 101 K 4.6229 8.2238 122.7694 52.7127 34.4254 175.2060 102 E 4.7998 8.4910 121.4095 54.0985 32.0105 175.6635 103 V 4.5355 7.7508 113.4537 58.9030 35.6227 175.6333 104 L 4.0208 8.2835 121.1163 54.5311 42.0050 177.9078 105 G 2.4793 7.9665 110.7657 45.4244 0.0000 172.9492 106 D 4.3557 7.3215 121.1300 52.7272 43.3752 175.6768 107 Y 4.7119 8.6559 124.3984 60.1608 38.0945 176.6741 108 N 4.7072 8.9462 116.0460 53.4816 39.1054 175.6779 109 V 3.8273 7.3050 119.7257 62.7646 32.2468 176.4312 110 T 4.2910 8.8757 117.6972 61.1258 70.9017 175.8802 111 I 3.6744 8.2933 122.8126 64.9691 37.1890 178.6064 112 E 3.8503 8.0870 118.5398 59.2812 29.2947 179.1306 113 E 3.9879 8.1676 118.8635 59.1522 29.4977 179.3566 114 Q 3.9215 8.1968 118.4977 58.9816 28.7450 178.7023 115 L 3.7031 7.8839 119.8435 57.5957 41.5528 179.4566 116 A 3.8612 7.8852 120.7837 54.9658 18.2678 179.7152 117 R 3.7429 7.8346 117.3325 59.5528 30.1008 178.9319 118 V 3.2813 7.5877 118.0628 65.6918 31.3176 178.1177 119 V 3.4235 7.7526 118.2393 65.9787 31.3524 177.8739 120 E 3.9597 8.1082 118.2663 59.3646 29.2351 179.4941 121 V 3.6274 7.7769 118.2009 66.1530 31.5994 178.1443 122 F 4.4464 8.4432 117.7330 60.7054 38.7017 177.8522 123 R 4.0074 8.5599 118.2278 59.2623 29.7530 178.4906 124 Y 3.8929 8.0518 119.2351 60.7731 38.8306 178.0144 125 L 3.3988 8.1824 119.7525 57.5792 41.6216 179.4673 126 A 3.7991 8.1956 120.7971 54.9673 18.2966 179.6061 127 A 3.8183 7.6427 119.3706 54.9737 18.3455 179.5843 128 L 3.6448 7.5937 119.2671 58.2943 41.9934 179.3289 129 F 4.5062 8.1484 118.1424 60.5134 38.7846 177.4931 130 Q 3.9365 7.9736 119.4824 58.9500 28.7924 178.4579 131 K 4.0143 8.1282 119.7721 59.3035 32.0611 179.4637 132 G 2.3423 7.7745 106.2146 47.1643 0.0000 175.3369 133 F 3.9771 8.0990 123.1199 61.1314 39.4697 176.7839 134 D 4.4287 8.3088 118.3575 57.4756 40.8140 179.1389 135 V 3.5434 8.0758 119.0892 66.1070 31.6662 178.2696 136 S 4.6905 8.0674 115.3853 60.9280 62.8803 175.9308 137 D 4.1043 8.1071 121.9785 57.0485 40.7157 177.8435 138 E 3.9778 8.1169 118.8509 58.5876 29.7071 177.6000 139 E 4.4189 7.7648 115.7484 55.5647 29.9214 176.9411 140 G 3.8338 7.5505 106.8061 46.4283 0.0000 175.1184 141 D 4.6003 7.8625 121.6718 52.5157 39.2742 176.5673 142 S 4.0758 8.0471 119.9704 60.6997 63.3319 176.6668 143 V 3.5057 7.6490 121.2605 66.2859 31.5557 177.9176 144 T 3.7710 7.9128 114.9465 66.5472 68.2525 176.0080 145 N 4.5658 8.1053 120.2503 56.2857 38.8737 176.4719 146 D 4.3963 8.1987 119.3185 57.2084 41.3951 178.1249 147 I 3.5319 7.6104 120.4057 64.4876 36.9955 178.4502 148 F 3.8383 7.8934 118.2455 60.2525 38.6851 177.3403 149 N 4.3641 8.3078 116.8887 56.7004 38.7375 177.2023 150 V 3.5577 8.0648 119.6544 65.7611 31.6425 177.8756 151 A 3.6243 7.5201 120.0707 54.8624 18.0094 179.3616 152 K 4.0339 8.2010 118.2480 59.6933 32.3500 178.5848 153 A 3.9758 7.9259 120.9053 55.4448 18.3290 179.6516 154 S 4.0832 7.9505 111.1891 61.5382 62.4995 176.3783 155 I 3.5713 7.9340 122.5996 64.3407 36.9012 178.3066 156 E 4.0855 8.4629 119.6581 59.1457 29.2837 179.2640 157 K 4.3117 8.0054 119.4626 59.9171 32.1889 178.6844 158 H 4.4909 8.2964 116.6387 58.8689 28.5071 177.8343 159 I 3.8437 8.0412 121.8699 63.9781 36.8348 178.1946 160 W 4.3450 8.2788 128.8305 60.9183 30.5466 178.0259 161 M 3.3625 7.6838 118.0246 58.0382 31.3729 178.7754 162 L 3.9951 8.2358 119.3351 57.9957 41.8241 179.6012 163 Q 3.9991 8.5012 118.0905 58.8701 28.6044 178.7863 164 A 4.1613 8.3097 122.0255 55.2078 18.2201 179.2285 165 E 4.0783 8.2008 116.8340 59.2058 29.7609 178.1211 166 L 4.4137 7.5862 116.2229 54.1223 41.7468 177.2718 167 G 3.9329 8.2719 107.0398 46.1817 0.0000 173.4841 168 Q 4.6524 8.3340 117.2640 53.2040 31.8939 175.2198 169 A 4.4505 8.2331 122.0942 51.0585 19.3958 176.1419 170 P 4.4086 0.0000 0.0000 64.5419 31.7170 177.6990 171 K 3.8416 8.1082 114.7361 57.1913 29.6130 174.9462 172 L 4.1836 7.9206 121.6762 55.2223 41.4944 177.6793 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 20 P 0.00 4.43 0.00 2.11 1.96 0.00 3.72 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 1.84 1.59 0.00 21 S 8.82 4.13 0.00 3.89 3.91 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 22 L 8.02 4.95 0.00 1.75 1.60 0.91 0.81 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 23 A 8.13 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 24 D 8.15 4.27 0.00 3.10 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.55 4.15 0.00 4.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.13 3.93 0.00 1.96 1.84 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.65 7.81 27 A 7.93 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.12 3.67 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 0.88 0.00 0.00 0.75 0.00 0.00 29 L 8.25 4.23 0.00 1.96 1.78 0.94 0.21 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 30 N 8.41 4.30 0.00 2.82 2.56 0.00 0.00 6.86 6.38 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 31 Q 8.57 4.24 0.00 2.42 2.41 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 2.47 2.74 0.00 32 A 8.48 4.20 1.72 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 0.00 0.00 33 V 8.11 3.58 2.47 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 1.25 0.00 0.00 1.01 0.00 0.00 34 A 8.34 4.07 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 0.00 0.00 0.00 0.00 0.00 35 D 8.50 4.44 0.00 2.90 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 36 L 8.70 4.19 0.00 1.75 1.80 1.15 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.83 3.88 0.00 3.34 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 38 V 7.88 3.65 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 1.00 0.00 0.00 1.01 0.00 0.00 39 A 8.50 4.03 1.50 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 40 H 8.54 4.01 0.00 3.35 3.44 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.86 4.12 0.00 3.94 4.10 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 42 I 7.93 3.72 1.99 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 1.49 0.55 0.87 0.00 0.00 43 L 8.07 3.94 0.00 1.76 1.67 1.08 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.11 3.67 0.00 3.04 2.71 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.01 4.31 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 46 V 7.98 3.65 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.97 0.00 0.00 47 H 8.27 4.19 0.00 3.04 3.25 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 8.29 4.67 0.00 3.68 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.64 4.25 0.00 3.18 2.87 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 50 M 7.52 4.45 0.00 2.29 2.37 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.91 0.00 51 R 8.68 4.63 0.00 1.91 1.80 0.00 3.33 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.78 0.00 52 G 9.01 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 0.00 0.00 0.00 0.00 53 R 8.32 4.18 0.00 1.87 1.96 0.00 3.38 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 54 G 9.46 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.70 4.13 0.00 3.35 3.12 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 0.00 0.00 0.00 0.00 56 M 8.36 4.17 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.70 0.00 57 I 7.51 3.80 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 1.15 1.03 0.71 0.00 0.00 58 W 8.24 4.21 0.00 3.48 3.17 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 59 H 8.28 3.93 0.00 1.85 2.55 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.23 0.00 2.16 2.20 0.00 3.62 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 61 K 7.35 3.57 0.00 1.57 1.83 0.00 1.07 0.00 0.00 1.05 0.00 0.00 2.63 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.07 0.56 7.81 62 M 7.95 3.97 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.95 0.00 63 D 7.42 4.07 0.00 2.56 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 64 E 7.75 3.88 0.00 2.01 1.90 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 2.23 2.33 0.00 65 Y 7.97 4.46 0.00 3.22 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 66 M 8.46 4.03 0.00 1.79 2.06 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.15 0.00 67 E 8.08 3.85 0.00 2.18 2.04 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 2.26 2.31 0.00 68 E 8.26 3.64 0.00 2.03 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 1.51 2.06 0.00 69 I 7.94 3.62 2.09 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.17 1.03 0.00 0.00 70 D 8.44 4.45 0.00 2.97 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 71 G 7.97 3.53 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 0.00 0.00 0.00 72 Y 7.61 4.30 0.00 3.17 2.78 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 73 L 8.07 4.00 0.00 1.79 1.87 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.19 4.34 0.00 2.91 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 75 E 8.07 3.88 0.00 2.12 1.89 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 2.30 2.53 0.00 76 M 8.29 3.93 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 1.94 0.00 77 S 8.23 4.13 0.00 4.08 4.17 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 78 E 8.12 3.92 0.00 2.11 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 2.32 2.42 0.00 79 R 7.95 3.84 0.00 1.94 1.97 0.00 3.10 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 80 L 7.94 3.92 0.00 1.87 1.84 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.91 3.68 2.01 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 1.52 0.67 0.90 0.00 0.00 82 T 8.03 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 1.19 0.00 0.00 83 L 7.74 4.35 0.00 1.78 1.69 0.94 0.85 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 84 G 8.14 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 85 G 7.92 3.80 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 0.00 0.00 0.00 86 A 7.99 4.49 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 87 P 0.00 4.49 0.00 2.27 2.08 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 88 F 8.56 4.75 0.00 3.43 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 89 S 8.80 4.81 0.00 4.00 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 90 T 6.74 4.45 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 1.16 0.00 0.00 91 L 8.26 3.99 0.00 1.70 1.82 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.80 3.89 0.00 1.76 1.71 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.32 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.58 7.81 93 E 7.75 3.71 0.00 1.90 1.50 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 2.25 2.23 0.00 94 F 7.60 4.42 0.00 3.27 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 95 S 8.26 4.13 0.00 3.99 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 96 E 8.39 4.07 0.00 1.90 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 0.00 2.31 2.46 0.00 97 N 7.85 4.54 0.00 2.40 2.78 0.00 0.00 6.95 6.88 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 98 S 7.46 4.50 0.00 4.08 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 99 Q 9.02 4.28 0.00 1.81 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.76 0.00 100 L 7.56 4.02 0.00 1.52 1.43 0.92 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.22 4.62 0.00 1.74 1.55 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 0.99 7.81 102 E 8.49 4.80 0.00 1.91 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 2.19 2.28 0.00 103 V 7.75 4.54 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 0.70 0.00 0.00 0.85 0.00 0.00 104 L 8.28 4.02 0.00 1.54 1.49 0.90 0.85 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 0.00 105 G 7.97 2.48 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 0.00 106 D 7.32 4.36 0.00 2.57 2.35 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 Y 8.66 4.71 0.00 3.13 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 0.00 108 N 8.95 4.71 0.00 2.83 2.90 0.00 0.00 6.92 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 0.00 109 V 7.31 3.83 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 0.81 0.00 0.00 0.97 0.00 0.00 110 T 8.88 4.29 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 1.27 0.00 0.00 111 I 8.29 3.67 1.88 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.09 0.85 0.00 0.00 112 E 8.09 3.85 0.00 1.97 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 2.32 2.35 0.00 113 E 8.17 3.99 0.00 2.15 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 2.30 2.32 0.00 114 Q 8.20 3.92 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 115 L 7.88 3.70 0.00 1.36 1.26 -0.28 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.89 3.86 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 0.00 117 R 7.83 3.74 0.00 1.97 1.99 0.00 3.08 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 118 V 7.59 3.28 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 0.03 0.00 0.00 0.84 0.00 0.00 119 V 7.75 3.42 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 1.04 0.00 0.00 0.87 0.00 0.00 120 E 8.11 3.96 0.00 2.15 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 2.30 2.43 0.00 121 V 7.78 3.63 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 1.25 0.00 0.00 0.93 0.00 0.00 122 F 8.44 4.45 0.00 3.17 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 0.00 123 R 8.56 4.01 0.00 2.03 2.01 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 124 Y 8.05 3.89 0.00 3.11 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.18 3.40 0.00 1.61 0.89 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.20 3.80 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 0.00 127 A 7.64 3.82 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 0.00 128 L 7.59 3.64 0.00 1.08 1.36 1.05 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.15 4.51 0.00 3.14 3.19 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 0.00 130 Q 7.97 3.94 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 131 K 8.13 4.01 0.00 1.88 1.73 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.55 7.81 132 G 7.77 2.34 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 0.00 133 F 8.10 3.98 0.00 3.26 3.22 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 0.00 134 D 8.31 4.43 0.00 2.89 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 0.00 135 V 8.08 3.54 2.04 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 1.04 0.00 0.00 0.93 0.00 0.00 136 S 8.07 4.69 0.00 4.24 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.11 4.10 0.00 2.34 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 0.00 138 E 8.12 3.98 0.00 2.06 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 2.30 2.33 0.00 139 E 7.76 4.42 0.00 1.98 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 2.27 2.56 0.00 140 G 7.55 3.83 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 0.00 0.00 0.00 141 D 7.86 4.60 0.00 2.70 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 0.00 142 S 8.05 4.08 0.00 4.04 4.06 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 0.00 143 V 7.65 3.51 2.04 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 1.01 0.00 0.00 0.90 0.00 0.00 144 T 7.91 3.77 4.44 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 1.38 0.00 0.00 145 N 8.11 4.57 0.00 2.67 2.87 0.00 0.00 6.49 7.98 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 0.00 146 D 8.20 4.40 0.00 2.76 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 0.00 147 I 7.61 3.53 1.65 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.93 0.50 0.00 0.00 148 F 7.89 3.84 0.00 3.37 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.31 4.36 0.00 3.31 3.03 0.00 0.00 6.82 7.74 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 0.00 150 V 8.06 3.56 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 0.97 0.00 0.00 0.99 0.00 0.00 151 A 7.52 3.62 0.05 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 0.00 152 K 8.20 4.03 0.00 2.06 2.05 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.51 7.81 153 A 7.93 3.98 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 0.00 154 S 7.95 4.08 0.00 3.95 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 0.00 155 I 7.93 3.57 1.84 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.93 0.63 0.00 0.00 156 E 8.46 4.09 0.00 2.23 2.04 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 2.34 2.48 0.00 157 K 8.01 4.31 0.00 2.09 2.02 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.73 1.95 7.81 158 H 8.30 4.49 0.00 3.44 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 8.04 3.84 2.15 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 1.59 1.12 1.00 0.00 0.00 160 W 8.28 4.35 0.00 3.44 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 0.00 161 M 7.68 3.36 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.15 0.00 162 L 8.24 4.00 0.00 1.75 1.60 0.85 0.90 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 0.00 163 Q 8.50 4.00 0.00 2.36 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.74 0.00 164 A 8.31 4.16 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 0.00 165 E 8.20 4.08 0.00 2.23 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 0.00 2.32 2.44 0.00 166 L 7.59 4.41 0.00 1.82 1.64 0.81 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 167 G 8.27 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 0.00 168 Q 8.33 4.65 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 169 A 8.23 4.45 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 P 0.00 4.41 0.00 2.12 2.28 0.00 3.89 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.40 0.00 171 K 8.11 3.84 0.00 1.89 1.87 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.23 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.62 7.81 172 L 7.92 4.18 0.00 1.63 1.59 0.93 0.95 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