NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4905 8.1933 115.4174 57.7234 64.7004 174.3446 3 Q 3.7923 8.8273 120.4512 58.5493 28.4270 178.9662 4 F 3.6018 9.1711 122.3894 61.4418 39.6074 176.2515 5 D 4.1315 7.3896 116.6032 57.4617 40.9007 178.7218 6 I 3.7239 7.6848 120.1441 64.0231 37.0641 178.0511 7 L 3.6467 7.6508 121.4003 58.4563 41.6376 178.9795 8 C 3.9004 7.2803 114.5588 62.0226 27.9672 175.5046 9 K 4.1298 7.4934 118.6319 56.7583 32.3498 177.0441 10 T 4.1832 6.9135 116.4278 61.9396 69.4468 173.4535 11 P 4.3591 0.0000 0.0000 61.8470 33.1174 175.3003 12 P 4.1246 0.0000 0.0000 65.9687 31.3679 178.5235 13 K 3.9167 8.1213 116.7541 60.2995 32.3032 178.9964 14 V 3.5613 7.6112 118.6183 65.7212 31.4257 177.5306 15 L 3.8623 7.9306 118.6753 58.0119 41.2765 179.5077 16 V 3.6798 7.6497 117.0188 66.7733 31.7044 177.3315 17 R 3.8871 8.5091 118.3478 59.6073 29.6982 177.9764 18 Q 4.1236 9.0735 117.6232 59.4641 28.7789 179.5936 19 F 4.8743 8.4067 122.2300 60.6639 39.7199 177.2098 20 V 3.5365 8.0125 118.0127 66.0066 31.4064 177.5932 21 E 4.0529 8.3504 117.8413 59.9331 28.9961 179.5159 22 R 3.8133 7.4620 115.4693 58.5756 30.1304 178.0108 23 F 4.3043 8.2590 114.9432 57.1543 39.3326 176.8973 24 E 4.1684 7.9473 119.2680 59.2100 30.0013 178.1923 25 R 4.4166 7.3884 116.7260 55.3667 29.0011 174.3901 26 P 4.0830 0.0000 0.0000 61.7515 30.5146 176.0046 27 S 4.7836 8.2202 117.5166 55.3844 66.0493 174.0648 28 G 3.9841 8.8924 115.5527 48.2094 0.0000 175.2850 29 E 4.0161 8.1741 119.2721 59.2290 29.7009 179.3773 30 K 4.0353 7.7308 117.7450 59.6594 32.0830 179.7055 31 I 3.0319 7.7613 120.1518 63.8568 36.5325 178.2946 32 A 4.2375 7.8888 121.6459 54.4410 18.1640 178.0827 33 S 4.6668 7.7176 111.1941 58.6850 63.7794 175.7329 34 C 4.2454 8.0932 116.9503 61.6646 28.9204 175.5215 35 A 3.9089 7.7665 121.4323 55.0539 18.0715 178.9842 36 A 4.0949 8.0563 117.1480 55.3267 18.7359 179.5910 37 E 3.9213 8.2140 116.3393 59.5756 29.5603 179.0904 38 L 3.5189 8.7839 121.4126 58.3575 41.8401 179.1280 39 T 3.9597 8.0338 115.6810 66.7155 68.4052 175.5742 40 Y 4.3125 8.2636 121.3109 61.1158 38.6901 178.3802 41 L 3.8698 8.3451 119.7299 58.2249 41.9013 179.1561 42 C 3.7905 8.2063 116.6149 62.6935 27.9631 176.3242 43 W 4.2235 8.4798 129.6946 60.8806 30.4579 177.7499 44 M 3.9143 8.3983 118.9912 59.1743 31.1445 178.4877 45 I 3.6581 7.8519 119.5055 64.2669 37.3785 178.1787 46 T 3.8950 7.8510 111.7688 64.0679 68.6745 174.3027 47 H 4.3627 7.5618 116.3834 54.3025 30.3729 173.1346 48 N 3.9047 8.7407 117.9683 54.5588 36.7692 175.0861 49 G 4.0469 8.1245 105.7128 45.7000 0.0000 172.0982 50 T 3.9063 7.4031 116.4478 63.4925 68.8576 174.0421 51 A 4.3926 8.6579 127.5561 52.3672 19.5683 176.1359 52 I 3.9192 8.2611 119.2125 58.7684 40.7473 175.3089 53 K 4.2646 7.9701 127.6669 55.9956 33.3093 177.1522 54 R 2.0000 8.1479 122.2315 59.1428 29.6853 178.4407 55 A 3.8052 7.6001 119.1807 55.7046 18.3400 179.5764 56 T 3.3561 7.4402 113.1887 66.5066 68.4381 176.3308 57 F 3.7788 7.9014 122.7052 61.4340 39.4385 176.7777 58 M 3.9078 8.3918 118.4613 58.5156 31.8195 178.6201 59 S 4.0217 8.2229 113.1939 61.7567 62.5884 175.8464 60 Y 3.9725 8.1308 119.4097 60.9678 37.5039 177.8282 61 N 4.2710 8.2750 119.6749 56.2426 38.8387 176.8706 62 T 3.8104 7.6437 116.5471 66.7239 68.7188 176.3526 63 I 3.6732 7.6693 121.5395 64.7886 37.1257 178.2690 64 I 3.8047 8.1997 120.6439 64.3679 36.7436 178.1037 65 S 4.1033 8.2153 113.6367 62.0806 62.2642 176.1721 66 N 4.5568 8.5564 118.2939 55.7692 38.3860 176.8521 67 S 4.5544 7.8082 113.4574 58.2507 64.2031 174.5101 68 L 4.4193 7.9140 124.8132 56.1902 42.4621 175.9645 69 S 4.8622 8.7057 117.9517 57.8053 66.5748 172.9798 70 F 5.3021 7.6817 113.7074 56.5027 40.4113 172.7478 71 D 4.8791 9.5030 120.3966 52.6551 42.8916 176.7627 72 I 4.0780 8.7754 128.3101 64.3892 37.7629 179.0756 73 V 3.5502 8.0113 119.1631 65.8814 31.3968 176.2966 74 N 4.4473 9.2738 114.5821 52.1221 39.3067 175.1730 75 K 2.0000 6.7670 117.1358 56.5263 29.9133 174.5051 76 S 5.1806 7.9879 112.6061 56.5048 66.8986 174.7399 77 L 5.6455 9.3006 125.9280 53.4291 45.7966 174.9378 78 Q 5.2431 9.0819 122.8481 54.9452 32.7459 173.4738 79 F 5.1565 7.8784 111.8712 56.4684 41.5371 173.0027 80 K 5.5048 9.4398 119.7176 55.6389 33.6150 175.8357 81 Y 4.5495 8.1778 121.6910 56.4631 42.3056 174.3267 82 K 4.2262 7.0128 125.3454 55.9373 29.7222 175.7394 83 T 4.7509 7.8242 116.6187 61.0319 70.7368 173.0768 84 Q 4.5930 8.6200 120.6507 55.0366 30.9695 176.0493 85 K 4.5457 7.7655 117.7838 55.1751 32.5558 177.0034 86 A 3.9989 8.0461 124.6983 56.7215 18.5988 178.9491 87 T 3.8173 8.0034 113.1795 67.2658 68.6364 176.1149 88 I 3.6601 7.8625 120.6214 64.6238 37.0224 178.0627 89 L 3.8655 7.5525 119.5093 58.0801 41.5331 178.7101 90 E 3.8968 8.4141 118.7208 59.3151 29.4453 179.0352 91 A 4.0395 8.3064 121.0237 55.4337 18.2339 179.5185 92 S 4.0098 7.5645 111.6177 61.9746 63.3859 176.5311 93 L 3.8047 7.8508 121.4118 57.7437 41.1885 179.6837 94 K 4.1783 8.0192 119.1288 59.6919 31.9938 178.7648 95 K 3.8730 7.8790 117.3596 59.6400 31.9831 178.5453 96 L 4.3114 7.5523 119.1130 56.7833 43.5457 177.3116 97 I 4.6866 7.9746 119.6429 58.6403 38.6642 173.1561 98 P 4.3373 0.0000 0.0000 65.5165 31.6901 178.0329 99 A 4.1345 8.2236 119.1092 53.8589 18.4840 176.6892 100 W 4.8414 8.1913 114.8571 54.8270 32.3133 174.9847 101 E 4.7390 8.9160 122.1479 54.6544 31.3245 174.8064 102 F 5.7329 8.9693 124.7227 55.8195 41.8786 176.2132 103 T 4.7672 8.1627 117.2445 62.1996 71.3309 172.1140 104 I 4.0134 8.2294 127.5676 60.6598 38.1865 175.4861 105 I 4.4074 8.4366 128.7389 58.7337 39.0664 173.6000 106 P 4.3018 0.0000 0.0000 63.9310 31.1885 174.7303 107 Y 3.6878 9.0888 127.2641 57.6355 37.6655 181.5025 108 N 3.2928 8.7519 115.7344 54.1461 41.3338 177.6817 *114 S 4.3622 8.0732 118.4736 57.6489 64.7266 172.6961 115 D 4.8165 8.2726 120.8645 53.1427 44.0377 176.1426 116 I 3.6087 8.6461 128.1663 65.2315 37.1567 177.8226 117 T 3.5178 7.9262 108.8486 65.4346 68.2796 175.9405 118 D 4.2427 8.1430 120.6834 57.2080 41.0273 178.0909 119 I 3.6553 7.8697 120.4847 65.2023 37.0852 177.8761 120 V 3.5388 8.7504 119.7544 66.0073 31.1080 177.6783 121 S 4.1239 8.3314 113.2850 61.8886 62.7505 176.6083 122 S 4.0708 8.4578 116.9448 61.0650 62.0708 176.2735 123 L 3.9992 8.1455 121.7743 57.9773 41.2310 179.2313 124 Q 4.0445 8.7643 119.1697 58.8490 29.0550 178.2579 125 L 4.4197 7.9830 122.9741 57.7116 42.1809 178.6781 126 Q 4.0215 8.1693 117.9814 59.0507 28.4449 178.5781 127 F 4.0975 8.7627 120.9324 61.2479 39.1956 176.4167 128 E 4.2296 8.2145 117.5945 58.0653 29.9129 177.5809 129 S 4.7704 7.9548 117.0527 57.7150 61.8440 174.4781 *137 N 4.7868 8.9359 113.8929 53.3064 40.3215 176.1374 138 S 4.1294 8.0338 112.7710 61.6973 62.7372 175.6855 139 H 4.1231 8.1568 121.1514 59.2766 29.6534 177.1515 140 S 4.0289 8.0607 116.3474 61.6458 62.6938 176.7791 141 K 3.9423 7.8110 121.1974 59.2883 31.7182 179.3753 142 K 3.9806 7.9682 119.5610 59.6268 32.0826 178.8933 143 M 4.0398 8.3732 119.4398 58.1728 31.7662 178.4734 144 L 3.8139 8.2063 120.9245 57.7843 42.1680 178.6259 145 K 3.7680 7.9211 119.3472 59.9119 31.8538 177.9098 146 A 4.1427 8.0116 119.1627 55.3035 18.3039 179.0974 147 L 3.8931 8.1286 118.2645 58.3683 42.4378 179.3276 148 L 4.1294 7.8457 117.6473 57.4907 42.1401 181.9283 149 S 4.5748 8.7863 117.9498 56.8908 62.4163 173.4579 150 E 4.6847 7.8119 119.0694 55.2697 33.2472 176.1511 151 G 3.3919 7.3792 103.6855 47.5873 0.0000 174.0375 152 E 4.2265 8.1514 121.4454 56.3501 30.6631 178.2005 153 S 4.6702 9.1963 118.1932 57.1621 65.9795 175.6469 154 I 3.6070 8.2844 122.0122 64.4880 36.7585 178.5560 155 W 4.1563 8.1852 118.9994 59.8925 28.9615 178.1993 156 E 4.1033 8.3980 118.3678 59.5742 28.8669 179.5054 157 I 3.9092 8.1144 121.4550 64.0779 37.1293 178.4407 158 T 3.9808 8.2233 116.9331 66.8281 68.2961 176.0401 159 E 4.1027 8.5390 121.0894 59.2859 29.6029 178.6008 160 K 3.9193 8.1519 119.3804 59.6260 32.1196 178.4774 161 I 3.4647 7.8179 119.1021 64.3556 37.2274 177.6174 162 L 4.3092 8.2598 121.1796 58.6786 41.9216 178.9545 163 N 4.4535 8.7644 116.7369 56.0539 38.2332 177.2386 164 S 4.0425 7.7811 114.7571 60.6675 63.0990 175.6810 165 F 4.5970 7.7929 122.4872 58.3138 39.1343 177.3488 166 E 3.7326 7.8224 118.6160 58.9586 29.3529 177.3347 167 Y 4.8755 7.5895 113.2039 58.5129 40.4439 176.8255 168 T 4.0649 8.1362 109.8472 64.4680 69.1510 174.7851 169 S 4.4004 8.0155 117.3828 59.0609 63.3456 175.1165 170 R 4.1588 8.7403 122.6494 57.2994 30.5447 175.4514 171 F 4.9433 8.0386 115.4636 55.3994 43.4661 175.8320 172 T 4.0291 8.6511 117.4212 66.5017 68.2498 176.9597 173 K 3.8206 8.2216 121.3757 59.9131 32.1244 178.4053 174 T 3.3685 7.8444 109.1104 64.6620 68.5523 175.7686 175 K 4.1871 7.6784 123.8706 58.6894 32.0896 178.8062 176 T 3.9616 8.4868 116.1141 66.6353 68.4584 176.4779 177 L 4.1888 8.6109 121.4250 58.2077 41.6449 179.0092 178 Y 4.4379 7.9786 116.7174 61.6193 37.8029 179.0563 179 Q 4.1257 8.1281 118.5892 58.9379 28.8556 178.6441 180 F 4.2539 8.8167 122.0517 61.2326 39.5275 176.4422 181 L 3.5000 8.5100 120.0938 58.6911 41.8084 178.2785 182 F 4.1221 8.5022 120.0704 61.8535 39.1582 176.6617 183 L 3.5542 8.2303 118.9859 58.0374 41.9148 179.2107 184 A 3.6397 8.0516 120.9861 55.3583 17.7931 179.7065 185 T 3.6567 8.0404 108.4799 64.7152 68.3805 176.4153 186 F 4.2404 7.5634 122.5265 61.2415 39.5307 176.7522 187 I 3.4143 7.4221 118.2186 63.9907 37.0189 177.2779 188 N 4.5516 7.6967 113.7232 51.9857 39.0273 174.3114 189 C 3.9492 7.6852 120.4539 60.4415 30.6600 172.2837 190 G 3.8441 7.5696 104.3042 43.1105 0.0000 174.3885 191 R 4.1874 9.2434 119.7462 54.9637 32.7919 177.3906 192 F 4.2320 8.6556 120.1230 62.1029 39.4327 177.5108 193 S 3.8329 8.1645 113.3404 61.4536 62.2844 176.0641 194 D 4.1968 7.6704 121.1718 57.2018 40.7691 178.3352 195 I 3.7804 7.1598 119.0396 64.0835 37.0425 178.3188 196 K 3.7030 8.0609 121.1720 59.4058 32.0101 177.4926 197 N 4.7733 8.1017 114.2340 53.0583 38.6938 175.3141 198 V 3.6693 7.3610 119.9226 62.8625 32.1548 175.0410 199 D 4.8112 8.8160 127.3942 52.4079 40.5874 174.6599 200 P 4.7595 0.0000 0.0000 66.0690 31.1181 178.0583 201 K 4.6314 8.7656 115.0804 56.6686 31.8430 177.0745 202 S 4.8159 8.5534 114.1590 58.0127 64.2164 173.8520 203 F 4.4145 7.9762 118.6274 58.1745 39.2822 174.7844 204 K 4.7456 8.9499 120.9441 55.1150 37.3426 174.7758 205 L 4.9076 8.3927 121.3059 53.1991 43.2279 176.3445 206 V 4.3869 8.4223 123.8511 60.8754 34.7033 174.8380 207 Q 4.3327 8.4198 125.1834 55.9377 30.0557 175.4435 208 N 4.8582 8.6179 121.2014 52.0480 41.8443 175.2204 209 K 3.8722 8.6785 125.7335 58.6235 32.7122 176.7990 210 Y 4.5330 8.1646 116.7314 58.7327 39.7895 176.4387 211 L 4.4868 8.2287 115.8432 53.9740 42.3652 176.6771 212 G 3.7667 8.5484 113.4711 44.3730 0.0000 173.5144 213 V 4.6414 6.4941 111.4858 58.8290 36.5943 174.4705 214 I 4.7300 8.3129 114.9895 59.2870 41.5075 174.1466 215 I 4.6714 8.8489 124.9996 60.9223 38.8166 174.7326 216 Q 4.5050 9.0570 127.5446 54.2574 32.2734 173.7239 217 C 4.9699 8.6762 120.2253 55.0472 33.7174 172.0087 218 L 5.0210 8.4030 119.7517 53.1452 45.0442 175.0634 219 V 4.5121 8.7172 125.5335 61.8080 33.7286 175.3073 220 T 4.3066 8.5086 122.3249 64.5641 70.7615 175.3669 221 E 4.2257 7.8526 121.1258 55.5795 27.9788 175.1513 222 T 4.3088 7.1620 112.9355 59.8758 71.1546 176.2451 223 K 3.7332 8.4786 122.6518 60.1591 32.0506 177.4447 224 T 4.2067 7.7969 105.3653 61.0873 69.0864 174.5204 225 S 3.5504 7.6315 116.5242 60.1203 60.7589 174.1459 226 V 4.1881 7.8358 117.8755 60.6846 33.1273 174.7583 227 S 4.5578 8.3666 123.7474 59.4681 64.0466 173.7659 228 R 4.5596 8.6179 117.5376 55.6213 33.0847 173.3869 229 H 5.1810 8.5361 116.3895 54.4782 31.0685 174.5928 230 I 4.6141 8.0978 121.4256 59.7605 40.0558 174.4578 231 Y 5.2386 10.2481 124.0846 56.3785 41.4630 175.1487 232 F 4.9727 9.2936 118.9664 56.2657 43.6247 173.8457 233 F 5.2258 7.9120 116.1091 55.7167 40.6118 173.7221 234 S 4.4527 8.9881 114.7682 58.3569 62.8558 173.2087 235 A 5.2819 8.7237 129.1612 50.3088 21.8784 175.3104 236 R 3.8088 8.1298 121.2481 56.4326 30.8536 176.3033 237 G 3.6875 8.3518 108.7896 44.2917 0.0000 173.9351 238 R 3.9740 8.3280 116.2302 57.7605 30.2202 176.6687 239 I 4.5990 7.0556 119.6388 59.4015 38.7448 175.0597 240 D 4.8997 8.8604 124.1355 51.1482 43.9450 173.6321 241 P 4.3965 0.0000 0.0000 66.0692 31.4465 178.2512 242 L 4.0334 7.9819 117.3827 58.1250 41.3827 180.1077 243 V 3.6477 8.0871 117.2834 66.4515 31.6212 177.7043 244 Y 4.0252 8.1898 116.1009 60.7238 37.5873 178.1651 245 L 3.9407 8.7914 122.0946 57.9273 42.1580 178.3926 246 D 4.2781 8.2684 118.1594 57.5872 41.0637 177.9584 247 E 3.9976 8.2143 117.9894 59.7427 29.6515 178.8748 248 F 4.2074 8.4619 120.7978 60.9958 39.1292 176.7866 249 L 3.0790 7.4986 118.8796 57.7127 41.4942 179.0775 250 R 4.5442 7.6705 115.0440 56.3639 30.1409 176.8147 251 N 4.9197 8.3902 115.1415 52.5387 42.0565 174.2674 252 S 4.7730 7.7265 110.9093 56.2652 65.0191 171.8887 253 E 4.1488 8.1237 121.6117 52.9785 32.9678 174.1417 254 P 4.1576 0.0000 0.0000 63.0207 32.0066 176.0796 255 V 4.5332 8.2589 120.4402 60.7412 34.3620 174.7388 256 L 4.1117 8.5638 128.0345 54.3354 42.0998 176.6477 257 K 4.0225 8.2200 125.8673 57.0082 32.4568 176.4541 258 R 4.1370 9.0653 128.4746 55.6123 30.8128 176.1205 259 V 3.8675 8.1926 124.0856 63.2870 32.1547 175.3282 260 N 5.4126 8.2957 124.1711 52.6287 40.5060 173.7288 261 R 4.8470 7.9983 111.2580 55.1519 32.0240 175.7643 262 T 3.8820 8.5942 110.7640 61.8904 68.2608 176.1538 263 G 4.2130 8.6949 108.5257 45.6231 0.0000 174.0513 *268 N 4.5140 8.5933 120.4020 53.0389 39.6304 173.9394 269 K 4.4950 8.4430 121.5036 54.0676 35.9913 175.7688 270 Q 5.0458 8.1278 125.2147 55.7640 31.1387 172.8211 271 E 4.2116 8.2374 124.8677 58.2754 30.9827 175.7407 272 Y 5.4842 8.0875 116.4087 56.2430 42.1721 174.3911 273 Q 4.8754 9.5346 118.3026 54.5214 31.9135 176.2627 274 L 4.2402 8.8148 123.3932 57.8870 42.2997 176.9074 275 L 5.0720 7.3730 115.3019 52.5084 44.9485 175.8326 276 K 4.4960 8.4279 118.8317 55.5768 33.0958 177.9180 277 D 4.6130 9.0650 123.2429 57.9588 40.9614 177.7106 278 N 4.6765 8.2263 113.6654 53.8253 39.3181 176.3676 279 L 4.1048 8.5393 122.0606 58.3387 41.9427 178.9667 280 V 3.1675 7.5208 118.3540 64.7822 30.8056 178.0268 281 R 3.9043 7.7351 118.7966 59.3054 30.1405 178.2928 282 S 4.1538 8.1843 112.3114 61.5709 62.2665 175.5627 283 Y 3.4508 8.4166 122.4785 60.5592 38.6048 177.1581 284 N 4.1154 8.7712 117.9604 56.3436 38.7290 176.9236 285 K 3.7396 8.6102 120.8390 59.7271 32.0867 178.3676 286 A 3.7905 7.6211 120.0772 55.1664 18.2146 179.1245 287 L 3.2581 7.7347 119.0009 57.9952 41.6221 179.3696 288 K 3.9197 7.8445 119.0283 59.2704 32.2914 178.5640 289 K 4.0300 7.5900 118.3084 59.6756 32.3604 178.4659 290 N 4.0689 8.5434 114.8410 55.1439 39.7575 176.5600 291 A 3.7568 7.2793 123.8585 52.6564 15.4258 175.6993 292 P 4.2423 0.0000 0.0000 64.1664 31.7569 176.7360 293 Y 4.7710 8.0671 116.3141 55.8123 42.4139 173.6572 294 P 4.2617 0.0000 0.0000 66.6441 31.6073 178.4155 295 I 3.4909 7.8272 119.5553 63.4226 37.8786 177.0516 296 F 4.4062 7.3188 115.7650 59.1193 38.8178 176.1843 297 A 4.2187 8.6137 124.7638 54.2359 19.0941 178.3403 298 I 3.6109 7.5787 117.6006 61.2938 37.4139 175.6359 299 K 4.1380 8.5232 126.9467 57.7719 32.5025 176.2219 300 N 4.2513 8.9711 121.0132 53.6990 36.2606 174.5621 301 G 3.8593 7.7812 107.9218 43.6702 0.0000 172.0646 302 P 4.4651 0.0000 0.0000 62.9292 33.0379 173.8543 303 K 4.5146 9.0760 117.4488 56.7068 33.6404 178.2276 304 S 4.7272 5.8100 125.8780 62.4626 63.5584 175.6800 305 H 4.4001 8.4718 118.6685 57.5387 28.4266 176.8676 306 I 3.9299 8.1527 121.7574 64.0681 37.8319 177.6000 307 G 3.8654 7.9270 107.0706 47.1768 0.0000 175.3069 308 R 3.8629 8.0479 120.9514 59.4064 30.0684 177.7227 309 H 4.1517 8.0308 115.5904 59.1122 28.7884 177.4180 310 L 4.0395 8.3380 120.7016 58.3571 41.4473 179.4805 311 M 4.2400 8.2923 117.7257 58.8899 32.2483 178.1881 312 T 3.9602 8.4995 116.4427 66.9146 68.6300 176.7477 313 S 4.1518 8.5423 117.2360 61.3747 62.9028 176.1060 314 F 4.1957 8.8252 123.7386 61.6027 39.0957 177.0740 315 L 3.7421 8.3100 118.4719 58.0048 41.3762 179.3039 316 S 3.9791 7.8952 112.3913 61.5604 62.1342 175.5095 317 M 3.8464 8.4754 120.7228 58.8763 32.0861 178.0326 318 K 4.1100 8.0817 116.1569 56.3877 32.9476 176.5005 319 G 3.8129 9.0689 107.3238 46.3233 0.0000 173.8454 320 L 4.6978 8.3486 114.2964 52.7079 43.4268 179.4024 321 T 3.9605 8.3421 112.8391 64.1012 68.4848 174.6067 322 E 3.9401 8.1858 119.4506 59.5002 29.4615 178.6397 323 L 4.0977 8.0062 119.3051 56.9644 41.7120 178.8332 324 T 3.9176 7.6961 116.1486 67.0993 68.4693 175.5346 325 N 4.7829 8.3095 117.2489 56.7677 38.3981 177.3549 326 V 3.4647 7.5987 117.3496 65.9013 31.8515 176.9015 327 V 3.2519 7.6565 117.8714 65.7343 31.2461 177.4817 328 G 3.0334 8.0923 106.2430 45.1545 0.0000 171.1777 329 N 3.9307 7.5625 120.5403 52.9986 36.6923 171.6738 330 W 4.8268 7.7192 119.4098 53.9869 32.6859 175.3349 331 S 3.9584 8.8745 117.6189 58.4338 62.5299 174.0724 332 D 4.4949 8.6968 125.2877 54.3841 41.5140 175.7823 333 K 4.5333 8.4119 123.0274 56.3621 33.5054 177.2483 334 R 4.0916 8.2971 117.5695 57.2856 30.3458 176.3455 335 A 4.7393 7.3669 119.8219 49.1709 21.6588 176.5705 336 S 4.2082 8.6892 116.8932 58.8171 64.4897 175.7932 337 A 3.9499 8.5249 125.0311 55.3077 18.1261 180.0372 338 V 3.5453 7.9408 116.1049 66.2990 31.1997 178.0034 339 A 3.9450 7.4613 118.4661 55.1875 18.3446 179.5640 340 R 4.0065 7.9404 115.4572 59.5429 30.3807 178.8791 341 T 3.8589 9.5168 113.2355 66.5032 68.1585 175.2024 342 T 3.8378 5.9489 117.7679 65.6869 68.9590 174.4398 *344 T 3.9560 7.6764 117.9560 64.0944 68.9516 173.2529 345 H 4.9160 8.7100 121.9124 55.2564 29.9518 173.7101 346 Q 4.4354 7.7063 120.2786 53.6882 31.5678 174.4631 347 I 3.5826 8.6111 125.2263 62.0514 37.5255 175.9252 348 T 3.8920 8.5027 121.4837 63.9033 68.9280 173.0747 349 A 4.6859 8.1518 126.8310 50.1356 20.7278 177.1457 350 I 3.5553 8.3173 123.6686 60.5784 37.5813 174.5651 351 P 4.3832 0.0000 0.0000 62.8499 32.2700 176.8643 352 D 4.5322 9.0594 121.5315 58.1334 40.8969 179.1447 353 H 3.7396 8.4746 114.4102 57.9140 28.3272 176.4829 354 Y 3.6739 7.2597 122.7526 60.8407 38.4236 178.2257 355 F 3.3205 7.1397 116.6862 59.9129 38.6538 177.1998 356 A 3.7510 7.6164 119.1084 55.1737 18.1920 179.0645 357 L 4.0868 7.5636 118.2081 58.4994 42.0892 179.4355 358 V 3.8184 7.2331 116.7333 65.6770 31.6535 177.7049 359 S 4.7186 8.6473 114.4148 59.5629 62.8316 175.9797 360 R 4.0812 8.0296 119.2484 56.5683 28.1158 176.1589 361 Y 4.3581 8.0651 115.6275 59.3695 38.8764 174.4347 362 Y 5.3984 8.1112 115.2004 56.3428 42.7122 173.7302 363 A 4.9955 9.0748 121.2459 50.5112 23.4159 174.1467 364 Y 5.1289 8.5603 119.7039 56.0001 41.6256 173.9325 365 D 4.4853 8.3121 126.7613 51.9074 41.7930 174.9624 366 P 3.7569 0.0000 0.0000 64.5557 31.4522 177.9714 367 I 3.8856 7.2107 118.1383 63.5175 38.1336 177.0658 368 S 4.1358 8.0698 114.0963 58.9188 63.4512 173.9292 369 K 3.9655 7.7290 120.3347 57.1470 29.9614 173.7383 370 E 4.8945 7.3157 115.9009 55.3592 35.0232 175.7193 371 M 4.9782 8.7344 121.3733 54.6687 33.5196 175.8934 372 I 4.5077 8.9441 125.5384 59.1792 39.1214 175.0226 373 A 3.9563 8.7572 129.7506 51.9065 18.8782 176.7609 374 L 4.2209 8.7016 124.0569 53.3703 43.0402 179.6977 375 K 4.1665 8.6126 122.1219 56.7410 31.8498 176.6209 376 D 4.5368 8.6262 119.9943 55.1017 41.6270 176.1347 377 E 4.0983 8.6529 120.8708 58.6788 30.1396 177.0320 378 T 4.3101 7.7955 116.8025 62.2716 69.0647 174.1581 379 N 4.7179 8.6545 125.8418 51.6620 40.0319 173.1413 380 P 4.0879 0.0000 0.0000 66.2313 31.4037 178.1761 381 I 3.9932 7.8491 119.1245 64.0653 36.9125 177.8990 382 E 4.1338 8.9911 119.7059 59.7310 29.1804 179.3079 383 E 3.9505 8.6072 119.1359 58.5793 29.5294 178.7411 384 W 4.4473 8.2978 128.9310 60.6231 30.8120 177.4347 385 Q 3.3641 8.2200 117.4206 59.4936 27.8921 178.6561 386 H 4.1328 7.5307 115.5861 59.4449 28.9560 177.5079 387 I 3.9028 7.2878 119.7284 64.4012 37.0380 177.9330 388 E 4.0671 7.9954 119.4133 58.7480 29.3944 178.2452 389 Q 3.9904 7.5062 114.8169 57.1799 28.5435 176.3118 *395 E 4.3576 8.0551 122.3553 56.1868 31.7598 178.0483 396 G 3.6934 8.0119 105.1311 48.0441 0.0000 175.5337 397 S 4.4343 8.0842 114.3666 60.2683 62.9469 175.5934 398 I 4.0282 7.0943 123.1122 63.6747 37.4504 177.5054 399 R 3.8657 7.6775 118.2631 57.7403 31.0778 176.0858 400 Y 4.8550 7.2656 116.2470 55.4409 38.0432 174.2797 401 P 4.0230 0.0000 0.0000 65.5099 32.3378 179.6215 402 A 3.7096 8.0557 120.7879 54.4715 18.3622 177.9501 403 W 4.2835 7.5918 113.1086 56.3909 29.5185 175.7374 404 N 4.4760 7.6186 118.7408 55.0842 38.4980 174.8774 405 G 4.0088 9.1876 114.6680 45.2920 0.0000 173.4974 406 I 4.1183 7.3880 118.5567 62.8694 38.6648 175.2636 407 I 4.1246 7.9225 120.5456 60.2454 37.9091 176.4363 408 S 4.0051 8.7428 117.9805 58.7647 63.6294 175.0403 409 Q 3.9715 8.7833 129.2112 59.3273 29.0883 177.6463 410 E 4.0220 8.3934 119.8990 59.5483 29.3170 179.1254 411 V 3.6961 7.3755 117.4584 66.1513 31.7724 177.9395 412 L 3.9311 8.0088 118.6520 57.9418 41.2922 179.5786 413 D 4.3805 8.7140 119.1818 57.5102 40.8298 177.7029 414 Y 4.3832 7.9273 119.5530 60.8986 38.6774 178.1697 415 L 3.6881 8.3375 121.0844 58.1469 41.7527 178.3827 416 S 4.1897 8.3365 113.1254 62.4553 62.1604 175.8477 417 S 4.1348 9.1591 117.9668 61.4384 62.2720 176.2901 418 Y 4.0909 8.1603 123.6505 61.4016 39.1197 178.4353 419 I 3.7157 8.4025 121.0651 64.4844 36.9028 177.7684 420 N 4.2147 8.1637 118.2206 56.7474 38.8596 177.3134 421 R 3.8967 8.3665 118.8462 58.8720 30.1085 176.8325 422 R 4.1705 7.7770 121.9035 56.6423 30.3523 175.8475 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 2 S 8.19 4.49 0.00 4.10 4.13 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 3 Q 8.83 3.79 0.00 2.41 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.87 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 4 F 9.17 3.60 0.00 3.12 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 5 D 7.39 4.13 0.00 2.64 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.68 3.72 1.95 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 1.35 1.11 0.84 0.00 0.00 7 L 7.65 3.65 0.00 1.27 1.15 0.63 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 8 C 7.28 3.90 0.00 2.79 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 9 K 7.49 4.13 0.00 1.76 1.77 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.60 1.52 7.81 10 T 6.91 4.18 4.12 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 1.10 0.00 0.00 11 P 0.00 4.36 0.00 2.12 1.93 0.00 3.57 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 12 P 0.00 4.12 0.00 2.19 2.21 0.00 3.60 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 2.17 2.26 0.00 13 K 8.12 3.92 0.00 1.99 2.10 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.51 7.81 14 V 7.61 3.56 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 0.86 0.00 0.00 0.90 0.00 0.00 15 L 7.93 3.86 0.00 1.81 1.56 -0.15 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.65 3.68 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 0.87 0.00 0.00 1.02 0.00 0.00 17 R 8.51 3.89 0.00 2.17 2.05 0.00 3.24 0.00 0.00 3.18 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 18 Q 9.07 4.12 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.73 0.00 19 F 8.41 4.87 0.00 3.03 3.33 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 20 V 8.01 3.54 2.20 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 0.81 0.00 0.00 1.02 0.00 0.00 21 E 8.35 4.05 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 22 R 7.46 3.81 0.00 1.77 1.50 0.00 3.23 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.90 0.00 23 F 8.26 4.30 0.00 2.72 2.84 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 24 E 7.95 4.17 0.00 2.15 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 2.39 2.31 0.00 25 R 7.39 4.42 0.00 1.77 1.87 0.00 3.25 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 26 P 0.00 4.08 0.00 2.15 2.25 0.00 3.62 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 2.19 2.53 0.00 27 S 8.22 4.78 0.00 3.81 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.89 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 0.00 0.00 0.00 29 E 8.17 4.02 0.00 1.94 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 2.43 0.00 30 K 7.73 4.04 0.00 1.73 1.68 0.00 1.60 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.41 7.81 31 I 7.76 3.03 0.56 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 0.97 0.20 -0.44 0.00 0.00 32 A 7.89 4.24 1.49 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 33 S 7.72 4.67 0.00 3.84 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 34 C 8.09 4.25 0.00 3.67 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 35 A 7.77 3.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.06 4.09 1.54 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 37 E 8.21 3.92 0.00 2.28 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 2.41 2.40 0.00 38 L 8.78 3.52 0.00 1.65 1.66 0.89 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.03 3.96 4.61 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 1.25 0.00 0.00 40 Y 8.26 4.31 0.00 3.18 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.35 3.87 0.00 1.61 1.50 0.08 0.81 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 42 C 8.21 3.79 0.00 2.91 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 0.00 0.00 0.00 0.00 43 W 8.48 4.22 0.00 3.64 3.23 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 0.00 44 M 8.40 3.91 0.00 1.87 2.01 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.08 0.00 45 I 7.85 3.66 1.91 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 1.49 0.54 0.82 0.00 0.00 46 T 7.85 3.90 4.07 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 1.21 0.00 0.00 47 H 7.56 4.36 0.00 2.45 2.95 0.00 6.00 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.74 3.90 0.00 2.86 2.69 0.00 0.00 7.09 8.18 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 49 G 8.12 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 50 T 7.40 3.91 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 1.39 0.00 0.00 51 A 8.66 4.39 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 52 I 8.26 3.92 0.61 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 0.49 -0.36 0.90 0.00 0.00 53 K 7.97 4.26 0.00 1.51 1.53 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.35 7.81 54 R 8.15 2.00 0.00 1.17 1.51 0.00 3.17 0.00 0.00 3.07 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.72 0.00 55 A 7.60 3.81 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.44 3.36 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57 F 7.90 3.78 0.00 3.00 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 58 M 8.39 3.91 0.00 1.97 2.20 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.80 0.00 59 S 8.22 4.02 0.00 3.81 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 60 Y 8.13 3.97 0.00 2.88 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 61 N 8.27 4.27 0.00 1.72 2.58 0.00 0.00 6.78 7.87 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 62 T 7.64 3.81 4.38 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 1.22 0.00 0.00 63 I 7.67 3.67 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 1.21 1.04 0.72 0.00 0.00 64 I 8.20 3.80 1.96 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.96 0.71 0.00 0.00 65 S 8.22 4.10 0.00 4.05 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 66 N 8.56 4.56 0.00 2.90 2.93 0.00 0.00 7.05 7.25 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 67 S 7.81 4.55 0.00 4.21 4.12 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 68 L 7.91 4.42 0.00 1.80 1.79 1.26 1.11 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 69 S 8.71 4.86 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 70 F 7.68 5.30 0.00 3.36 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 9.50 4.88 0.00 2.70 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 0.00 0.00 0.00 0.00 72 I 8.78 4.08 2.02 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 1.66 1.17 1.04 0.00 0.00 73 V 8.01 3.55 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 0.75 0.00 0.00 0.93 0.00 0.00 74 N 9.27 4.45 0.00 2.57 2.72 0.00 0.00 7.27 7.49 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 75 K 6.77 2.00 0.00 1.24 0.74 0.00 1.28 0.00 0.00 1.25 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.62 0.83 7.81 76 S 7.99 5.18 0.00 3.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 9.30 5.65 0.00 2.04 1.59 1.09 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 9.08 5.24 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.47 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 79 F 7.88 5.16 0.00 3.30 3.31 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 80 K 9.44 5.50 0.00 1.81 2.00 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.35 7.81 81 Y 8.18 4.55 0.00 3.32 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 82 K 7.01 4.23 0.00 0.86 1.55 0.00 1.45 0.00 0.00 1.55 0.00 0.00 2.57 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.16 0.46 7.81 83 T 7.82 4.75 4.65 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 1.46 0.00 0.00 84 Q 8.62 4.59 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.24 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 85 K 7.77 4.55 0.00 1.91 1.94 0.00 1.31 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.33 7.81 86 A 8.05 4.00 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 87 T 8.00 3.82 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 nan 0.00 0.00 88 I 7.86 3.66 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.09 0.87 0.00 0.00 89 L 7.55 3.87 0.00 1.73 1.78 0.81 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.41 3.90 0.00 2.21 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 0.00 2.35 2.53 0.00 91 A 8.31 4.04 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 92 S 7.56 4.01 0.00 3.95 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 93 L 7.85 3.80 0.00 1.15 0.16 0.85 0.58 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 K 8.02 4.18 0.00 2.13 2.05 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.48 0.00 0.00 0.00 0.00 1.54 1.68 7.81 95 K 7.88 3.87 0.00 1.93 1.89 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.63 7.81 96 L 7.55 4.31 0.00 1.65 1.82 0.95 0.98 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 7.24 6.49 0.00 0.00 0.00 0.00 0.00 2.40 2.72 0.00 127 F 8.76 4.10 0.00 3.04 3.31 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 0.00 128 E 8.21 4.23 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 129 S 7.95 4.77 0.00 3.79 3.29 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 *137 N 8.94 4.79 0.00 2.87 2.83 0.00 0.00 6.66 7.99 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 0.00 138 S 8.03 4.13 0.00 4.08 4.11 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 0.00 139 H 8.16 4.12 0.00 3.20 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.06 4.03 0.00 3.98 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.81 3.94 0.00 1.91 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.43 7.81 142 K 7.97 3.98 0.00 1.81 1.95 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 143 M 8.37 4.04 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.91 0.00 144 L 8.21 3.81 0.00 1.61 1.74 0.84 0.55 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 0.00 145 K 7.92 3.77 0.00 1.95 2.05 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 146 A 8.01 4.14 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 0.00 147 L 8.13 3.89 0.00 1.45 1.81 0.37 0.71 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 0.00 148 L 7.85 4.13 0.00 1.77 1.68 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.79 4.57 0.00 3.80 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 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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 0.00 1.01 0.00 0.00 159 E 8.54 4.10 0.00 2.20 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 0.00 2.41 2.52 0.00 160 K 8.15 3.92 0.00 2.21 2.16 0.00 1.87 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.46 7.81 161 I 7.82 3.46 1.60 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.96 -0.13 0.00 0.00 162 L 8.26 4.31 0.00 2.14 2.04 1.07 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 163 N 8.76 4.45 0.00 3.00 2.89 0.00 0.00 6.83 7.35 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 0.00 164 S 7.78 4.04 0.00 3.64 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 0.00 165 F 7.79 4.60 0.00 3.23 3.29 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 0.00 166 E 7.82 3.73 0.00 1.81 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.47 0.00 167 Y 7.59 4.88 0.00 3.04 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 0.00 168 T 8.14 4.06 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 169 S 8.02 4.40 0.00 4.07 4.01 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 0.00 170 R 8.74 4.16 0.00 1.86 2.22 0.00 3.41 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.43 0.00 171 F 8.04 4.94 0.00 3.02 2.94 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 0.00 172 T 8.65 4.03 4.31 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 1.31 0.00 0.00 173 K 8.22 3.82 0.00 1.82 1.78 0.00 1.69 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.72 7.81 174 T 7.84 3.37 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 1.12 0.00 0.00 175 K 7.68 4.19 0.00 2.02 2.03 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.57 1.67 7.81 176 T 8.49 3.96 4.53 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 1.39 0.00 0.00 177 L 8.61 4.19 0.00 1.62 1.82 0.97 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 0.00 178 Y 7.98 4.44 0.00 2.50 1.49 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 0.00 179 Q 8.13 4.13 0.00 2.50 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.64 2.81 0.00 180 F 8.82 4.25 0.00 3.27 3.26 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 0.00 181 L 8.51 3.50 0.00 1.72 1.66 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 182 F 8.50 4.12 0.00 3.39 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 0.00 183 L 8.23 3.55 0.00 1.57 1.52 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 184 A 8.05 3.64 0.77 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 0.00 185 T 8.04 3.66 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 1.17 0.00 0.00 186 F 7.56 4.24 0.00 2.35 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 I 7.42 3.41 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.69 0.97 0.00 0.00 188 N 7.70 4.55 0.00 2.53 2.72 0.00 0.00 7.08 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 0.00 189 C 7.69 3.95 0.00 2.98 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 0.00 190 G 7.57 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 0.00 191 R 9.24 4.19 0.00 1.75 1.91 0.00 3.08 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 192 F 8.66 4.23 0.00 3.06 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 0.00 193 S 8.16 3.83 0.00 3.99 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 0.00 194 D 7.67 4.20 0.00 2.74 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 0.00 0.00 0.00 0.00 195 I 7.16 3.78 1.78 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.73 0.78 0.00 0.00 196 K 8.06 3.70 0.00 0.79 1.14 0.00 1.70 0.00 0.00 1.39 0.00 0.00 2.65 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.18 7.81 197 N 8.10 4.77 0.00 2.84 2.75 0.00 0.00 7.02 7.22 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 0.00 198 V 7.36 3.67 2.13 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 0.82 0.00 0.00 0.96 0.00 0.00 199 D 8.82 4.81 0.00 2.78 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 P 0.00 4.76 0.00 2.54 2.69 0.00 4.09 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 201 K 8.77 4.63 0.00 2.06 1.95 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.69 1.40 7.81 202 S 8.55 4.82 0.00 3.79 4.04 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 0.00 203 F 7.98 4.41 0.00 2.97 3.02 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 0.00 204 K 8.95 4.75 0.00 1.59 1.60 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.59 7.81 205 L 8.39 4.91 0.00 1.44 1.38 1.06 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 206 V 8.42 4.39 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 0.99 0.00 0.00 0.83 0.00 0.00 207 Q 8.42 4.33 0.00 1.85 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.52 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 208 N 8.62 4.86 0.00 2.48 2.41 0.00 0.00 7.04 6.09 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 0.00 209 K 8.68 3.87 0.00 1.66 1.72 0.00 1.22 0.00 0.00 1.46 0.00 0.00 2.62 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.14 0.21 7.81 210 Y 8.16 4.53 0.00 2.81 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 0.00 0.00 0.00 0.00 211 L 8.23 4.49 0.00 1.56 1.65 0.92 0.93 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 0.00 212 G 8.55 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 0.00 213 V 6.49 4.64 1.54 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 -0.76 0.00 0.00 -0.06 0.00 0.00 214 I 8.31 4.73 1.80 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.95 0.61 0.00 0.00 215 I 8.85 4.67 2.30 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.79 1.30 0.00 0.00 216 Q 9.06 4.50 0.00 1.75 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 217 C 8.68 4.97 0.00 2.27 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 0.00 218 L 8.40 5.02 0.00 1.70 1.42 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 219 V 8.72 4.51 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.87 0.00 0.00 220 T 8.51 4.31 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 221 E 7.85 4.23 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 222 T 7.16 4.31 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 1.15 0.00 0.00 223 K 8.48 3.73 0.00 1.72 1.85 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.45 7.81 224 T 7.80 4.21 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 0.00 225 S 7.63 3.55 0.00 4.01 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 0.00 226 V 7.84 4.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.97 0.00 0.00 227 S 8.37 4.56 0.00 3.74 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 0.00 228 R 8.62 4.56 0.00 1.73 1.84 0.00 2.56 0.00 0.00 2.99 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.47 0.00 229 H 8.54 5.18 0.00 3.05 2.56 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 I 8.10 4.61 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 1.06 0.86 0.61 0.00 0.00 231 Y 10.25 5.24 0.00 2.93 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 0.00 232 F 9.29 4.97 0.00 3.15 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 0.00 233 F 7.91 5.23 0.00 3.08 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 0.00 234 S 8.99 4.45 0.00 3.87 4.04 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 0.00 235 A 8.72 5.28 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 0.00 236 R 8.13 3.81 0.00 0.67 1.17 0.00 2.92 0.00 0.00 2.97 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.17 0.00 237 G 8.35 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 0.00 0.00 0.00 238 R 8.33 3.97 0.00 1.85 2.08 0.00 3.22 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 239 I 7.06 4.60 1.90 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 1.28 1.14 1.13 0.00 0.00 240 D 8.86 4.90 0.00 2.81 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 0.00 241 P 0.00 4.40 0.00 2.27 2.02 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.11 0.00 242 L 7.98 4.03 0.00 1.69 1.47 -0.09 0.88 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 0.00 243 V 8.09 3.65 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 1.00 0.00 0.00 1.13 0.00 0.00 244 Y 8.19 4.03 0.00 3.41 3.31 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 0.00 245 L 8.79 3.94 0.00 1.67 1.83 0.34 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 246 D 8.27 4.28 0.00 2.95 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 0.00 247 E 8.21 4.00 0.00 2.15 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 2.46 2.36 0.00 248 F 8.46 4.21 0.00 2.54 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 0.00 0.00 0.00 0.00 249 L 7.50 3.08 0.00 1.37 1.25 -0.13 -0.57 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 0.00 250 R 7.67 4.54 0.00 1.82 1.95 0.00 3.03 0.00 0.00 2.99 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.01 0.00 251 N 8.39 4.92 0.00 2.72 2.79 0.00 0.00 6.64 8.32 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 0.00 252 S 7.73 4.77 0.00 3.79 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 253 E 8.12 4.15 0.00 1.73 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 2.05 2.18 0.00 254 P 0.00 4.16 0.00 1.80 1.52 0.00 2.89 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.44 0.00 255 V 8.26 4.53 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.09 0.00 0.00 256 L 8.56 4.11 0.00 1.48 1.45 0.82 0.43 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 0.00 257 K 8.22 4.02 0.00 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0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 345 H 8.71 4.92 0.00 3.12 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 346 Q 7.71 4.44 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 347 I 8.61 3.58 1.83 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.58 0.84 0.00 0.00 348 T 8.50 3.89 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 1.19 0.00 0.00 349 A 8.15 4.69 1.25 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 0.00 0.00 0.00 350 I 8.32 3.56 1.71 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.54 0.07 0.00 0.00 351 P 0.00 4.38 0.00 1.99 2.03 0.00 3.37 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 2.03 2.08 0.00 352 D 9.06 4.53 0.00 2.90 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 0.00 353 H 8.47 3.74 0.00 3.04 3.36 0.00 5.47 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 354 Y 7.26 3.67 0.00 2.60 2.45 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 0.00 355 F 7.14 3.32 0.00 2.88 2.26 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 0.00 356 A 7.62 3.75 0.36 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 0.00 357 L 7.56 4.09 0.00 1.70 1.66 1.09 0.67 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 0.00 358 V 7.23 3.82 1.84 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 0.98 0.00 0.00 0.14 0.00 0.00 359 S 8.65 4.72 0.00 4.81 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 0.00 360 R 8.03 4.08 0.00 1.73 1.93 0.00 2.21 0.00 0.00 2.54 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.63 0.00 361 Y 8.07 4.36 0.00 3.21 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 0.00 362 Y 8.11 5.40 0.00 2.84 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 0.00 363 A 9.07 5.00 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 0.00 364 Y 8.56 5.13 0.00 3.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 365 D 8.31 4.49 0.00 2.71 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 0.00 366 P 0.00 3.76 0.00 1.95 2.05 0.00 3.54 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.79 0.00 367 I 7.21 3.89 1.82 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 1.31 0.73 0.94 0.00 0.00 368 S 8.07 4.14 0.00 4.01 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 0.00 369 K 7.73 3.97 0.00 1.93 1.94 0.00 1.81 0.00 0.00 1.88 0.00 0.00 3.10 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.62 1.56 7.81 370 E 7.32 4.89 0.00 1.90 1.86 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 2.35 2.65 0.00 371 M 8.73 4.98 0.00 1.81 2.10 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.36 0.00 372 I 8.94 4.51 1.94 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 1.21 1.33 0.95 0.00 0.00 373 A 8.76 3.96 1.05 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 0.00 374 L 8.70 4.22 0.00 1.55 1.57 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 375 K 8.61 4.17 0.00 1.86 1.91 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 376 D 8.63 4.54 0.00 2.54 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 0.00 377 E 8.65 4.10 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 378 T 7.80 4.31 4.55 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 1.34 0.00 0.00 379 N 8.65 4.72 0.00 2.78 2.72 0.00 0.00 6.90 7.71 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 0.00 380 P 0.00 4.09 0.00 2.01 0.92 0.00 3.79 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 381 I 7.85 3.99 2.15 0.00 0.00 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 1.79 0.80 1.06 0.00 0.00 382 E 8.99 4.13 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 383 E 8.61 3.95 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 384 W 8.30 4.45 0.00 3.55 3.54 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 0.00 385 Q 8.22 3.36 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 386 H 7.53 4.13 0.00 3.25 3.36 0.00 5.68 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 0.00 387 I 7.29 3.90 2.27 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.78 1.14 0.00 0.00 388 E 8.00 4.07 0.00 1.16 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 389 Q 7.51 3.99 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.31 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 *395 E 8.06 4.36 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 396 G 8.01 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 0.00 0.00 0.00 397 S 8.08 4.43 0.00 4.15 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 0.00 398 I 7.09 4.03 1.97 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 1.38 0.55 0.85 0.00 0.00 399 R 7.68 3.87 0.00 1.45 1.12 0.00 2.89 0.00 0.00 2.48 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.34 0.00 400 Y 7.27 4.86 0.00 3.18 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 0.00 401 P 0.00 4.02 0.00 2.17 2.27 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.92 0.00 402 A 8.06 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 403 W 7.59 4.28 0.00 3.21 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 0.00 404 N 7.62 4.48 0.00 2.90 2.83 0.00 0.00 7.36 7.34 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 0.00 405 G 9.19 4.01 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 0.00 0.00 0.00 406 I 7.39 4.12 1.98 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 1.22 0.64 0.68 0.00 0.00 407 I 7.92 4.12 1.73 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.49 0.50 0.00 0.00 408 S 8.74 4.01 0.00 3.93 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 0.00 409 Q 8.78 3.97 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.46 0.00 410 E 8.39 4.02 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 411 V 7.38 3.70 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 1.08 0.00 0.00 1.07 0.00 0.00 412 L 8.01 3.93 0.00 1.94 1.91 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 413 D 8.71 4.38 0.00 2.92 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 414 Y 7.93 4.38 0.00 3.21 3.28 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 0.00 415 L 8.34 3.69 0.00 1.72 1.65 0.84 0.53 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 0.00 416 S 8.34 4.19 0.00 4.26 4.07 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 0.00 417 S 9.16 4.13 0.00 4.05 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 418 Y 8.16 4.09 0.00 2.52 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 0.00 419 I 8.40 3.72 2.11 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.12 0.98 0.00 0.00 420 N 8.16 4.21 0.00 2.79 2.87 0.00 0.00 7.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 421 R 8.37 3.90 0.00 1.78 2.05 0.00 3.32 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 422 R 7.78 4.17 0.00 1.89 1.73 0.00 3.14 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.28 0.00 * Residues marked with a * may have inaccurate shift predictions.