NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.5376 8.3049 120.3255 54.9648 32.9494 175.4060 4 D 4.3653 8.5732 122.3043 53.0386 43.0052 175.3791 5 K 3.9929 8.4744 122.6145 59.5665 32.7070 179.1194 6 S 4.2120 7.9765 114.4148 61.3663 63.1260 175.8712 7 E 3.9088 8.1517 121.7110 59.2612 29.3328 178.8876 8 L 3.9319 7.9182 118.7430 58.1902 41.7339 179.9138 9 V 3.7540 7.4112 116.4164 65.2451 31.4294 178.0236 10 Q 3.8677 7.9883 119.0785 58.9697 28.9371 177.5992 11 K 3.7988 8.0658 120.6307 59.9171 32.1132 178.2604 12 A 4.0171 8.0525 120.5533 55.0823 18.2860 179.7877 13 K 4.0517 8.0815 117.1141 59.3456 31.9489 179.6138 14 L 3.9073 8.4304 119.6536 57.5828 41.6422 178.9313 15 A 4.0809 8.1800 121.0929 55.3741 18.0652 178.9166 16 E 3.6175 8.1657 116.2991 59.8196 29.7513 178.6935 17 Q 4.0977 7.8012 116.0128 59.0388 28.9323 178.5956 18 A 4.0787 8.5060 120.4042 52.5264 18.5369 177.8635 19 E 3.0212 7.3831 115.4065 57.2213 27.6740 176.1241 20 R 4.2628 7.0678 120.3586 55.3438 29.4328 175.9993 21 Y 4.4070 7.8967 120.6542 59.6412 38.3503 176.7477 22 D 4.3651 8.0299 120.1690 56.9741 40.9031 178.2125 23 D 4.2470 7.8955 119.1301 57.6607 41.1452 178.0359 24 M 3.8491 7.8398 117.9727 58.7157 32.0848 178.1884 25 A 3.7836 7.9211 120.3724 54.9317 18.5315 179.4361 26 A 3.9717 8.1250 119.3544 55.0367 18.3589 179.6282 27 A 3.8852 8.7219 119.8192 55.8613 18.4987 179.8849 28 M 4.1184 7.9167 116.5440 58.3615 31.7815 179.0053 29 K 4.0625 8.4860 119.3247 59.0850 32.6151 178.6856 30 A 4.0418 7.9104 121.3473 55.0872 18.0516 179.3908 31 V 3.4993 8.0680 117.1616 66.8591 31.4170 178.4578 32 T 3.7966 8.2740 114.9411 65.8715 67.9946 175.9270 33 E 3.1668 7.5560 118.8976 57.3284 29.5925 177.9487 34 Q 4.0917 7.5322 117.7751 56.2271 28.3878 177.4423 35 G 4.2592 7.0695 107.9653 46.2876 0.0000 173.3795 36 H 4.8097 7.1542 115.6402 53.6846 30.1498 174.9214 37 E 4.0788 8.5729 123.1151 56.0000 30.0007 176.8822 38 L 4.3175 8.4376 126.5176 54.4823 42.5788 177.8255 39 S 4.4394 8.5843 117.7515 58.1481 65.2032 175.0835 40 N 4.2302 8.4916 117.9204 56.2658 38.1715 177.2925 41 E 3.8632 8.0283 120.2086 59.4294 30.0885 177.9330 42 E 3.9097 8.0534 118.5298 59.8438 29.6762 179.2572 43 R 3.9977 8.0832 118.0012 60.0987 30.0901 178.3528 44 N 4.4670 8.1414 115.6203 55.8303 38.2912 177.5973 45 L 3.9800 8.1402 120.7726 57.6971 41.7353 178.7455 46 L 4.2583 7.8094 119.8591 58.7333 41.9596 179.1989 47 S 4.3089 8.1811 112.1851 61.3483 62.5071 176.2959 48 V 3.6274 8.0765 120.8363 66.0141 31.3547 177.3771 49 A 4.0796 9.0467 121.6040 56.0581 18.2097 179.3053 50 Y 3.9781 8.5618 114.5480 60.8414 37.9711 178.7796 51 K 4.1193 8.4717 120.8163 59.7006 32.1339 178.6399 52 N 4.1640 7.9710 116.3619 55.9953 37.9859 177.3150 53 V 3.5889 7.8151 119.9324 66.2585 31.6170 178.5525 54 V 3.7152 8.2218 118.8906 64.6661 31.4996 178.2948 55 G 3.7132 8.2032 106.1370 47.6298 0.0000 175.3882 56 A 4.0963 7.8070 122.7222 54.8862 18.4793 180.0023 57 R 3.9000 7.5496 116.5100 59.3075 30.1945 179.2299 58 R 3.8616 8.2734 118.3474 59.3288 30.0569 179.0520 59 S 4.0951 7.9238 112.2300 61.5216 62.4606 176.0434 60 S 4.1568 8.1880 117.9501 61.5206 62.5429 176.4735 61 W 4.1304 8.7680 130.9828 60.6940 30.4050 178.0907 62 R 3.9234 8.3332 117.7911 59.2680 29.5622 178.8466 63 V 3.5374 7.8939 117.9171 66.5243 31.5130 178.1710 64 I 3.7115 7.8630 119.0338 64.3809 36.3465 178.5048 65 S 3.9465 7.8621 116.0517 60.7026 62.4151 176.5593 66 S 4.0508 8.1443 115.8479 61.4123 62.4098 175.9985 67 I 3.8317 7.7839 122.4707 64.4052 36.6229 177.9948 68 E 4.0089 8.0522 120.8413 60.2744 29.3008 179.4893 69 Q 4.4162 7.4785 118.6451 56.2113 28.2338 179.0801 70 K 4.0528 8.4681 128.2677 57.6575 29.7042 183.1142 *76 K 4.3466 9.2723 119.2916 55.5663 34.8656 180.0018 77 K 4.5229 7.5665 120.8167 53.5855 30.9784 179.1518 78 Q 4.2235 7.7697 122.0940 57.9074 29.6514 179.2253 79 Q 4.1565 8.1175 115.6538 56.7997 28.5338 183.5542 80 M 4.2966 8.4198 119.3551 58.9291 32.3927 178.4108 81 G 3.8758 8.1335 105.3938 48.0139 0.0000 175.3503 82 K 4.0838 8.0884 123.7547 59.9829 31.9480 179.3945 83 E 4.0857 8.0029 118.5667 60.8644 29.4855 180.2776 84 Y 4.4768 8.3280 119.1033 60.9059 39.0493 177.1646 85 R 3.7807 8.6219 120.1298 59.9301 30.0528 178.1439 86 E 4.3795 8.4236 117.9049 59.0023 29.3476 179.3186 87 K 3.9965 7.6790 119.1317 59.6158 32.2526 178.7495 88 I 3.6101 7.6261 120.0386 64.4275 36.9659 178.1730 89 E 3.9464 8.8481 119.2740 59.5908 29.5211 179.1598 90 A 4.0185 8.6834 121.3751 55.3415 18.3720 179.3757 91 E 3.9089 8.1464 117.6943 59.2111 29.7559 178.6800 92 L 3.9630 8.2051 120.7176 58.3716 42.1547 178.9845 93 Q 4.0542 8.4897 118.3429 59.1045 28.5809 178.6183 94 D 4.3944 8.0978 119.5451 57.1629 40.8118 178.8461 95 I 3.8045 7.7761 120.2840 64.7635 37.1474 178.2136 96 C 4.2152 8.1621 117.4795 62.9843 27.9069 176.0901 97 N 4.2094 8.3755 118.0386 56.4275 38.0194 176.5769 98 D 4.2945 8.1716 119.8406 58.2013 40.9731 179.5032 99 V 2.9702 7.5685 117.8548 65.8283 31.4739 178.4274 100 L 3.7611 7.7633 118.8791 57.2996 41.3043 178.7747 101 E 3.7523 8.3485 119.7348 59.3842 29.5423 178.6423 102 L 4.0500 7.9613 119.0057 58.0049 41.7151 179.7612 103 L 3.7432 8.1101 118.7736 57.8150 41.3812 179.0914 104 D 4.2080 8.1258 116.8043 57.2183 41.2389 177.7901 105 K 3.8589 8.3785 119.3707 58.3646 32.3891 176.1457 106 Y 4.6257 7.3204 113.6724 59.6189 40.4111 177.3505 107 L 3.4898 7.9897 118.1384 57.9468 42.1870 179.1821 108 I 3.9401 7.8521 119.3549 63.9036 37.2766 176.9030 109 P 4.2486 0.0000 0.0000 65.9518 31.0262 176.9713 110 N 4.5091 8.4964 113.6934 53.7603 38.5415 174.7029 111 A 4.6160 7.6185 122.5815 51.8742 19.2461 177.3296 112 T 4.5457 8.4621 115.9641 61.8259 68.8352 174.6021 113 Q 4.6039 8.0810 118.7238 54.6317 33.6948 173.4425 114 P 4.0310 0.0000 0.0000 65.1138 31.7054 177.6761 115 E 3.8580 8.2918 117.8408 59.6637 29.4052 178.9891 116 S 3.9790 7.8783 114.0116 60.7636 63.3979 175.9579 117 K 3.9259 8.0423 122.4876 59.9183 31.8341 178.8284 118 V 3.6088 8.0331 118.1593 65.8028 31.4721 177.6384 119 F 3.8837 7.8615 120.0453 61.7449 39.2167 176.8485 120 Y 4.4650 8.2854 116.5494 61.0023 37.6497 178.3795 121 L 3.9748 8.0583 120.0568 57.1826 41.6853 179.1670 122 K 3.6949 8.4283 120.1935 59.6842 32.0343 178.2635 123 M 4.0443 7.8310 118.2180 58.7465 32.2876 177.8640 124 K 3.7558 8.1751 119.7754 59.4449 32.1432 178.8838 125 G 2.2628 7.3625 105.6425 47.3674 0.0000 175.0168 126 D 4.1771 7.7521 123.5259 56.4700 40.7378 178.8391 127 Y 3.4949 7.8172 116.6917 61.0420 37.8419 178.7263 128 F 4.3247 7.7574 118.2305 60.6248 38.5810 177.7483 129 R 4.0424 8.0008 118.4872 59.6109 29.6574 178.1869 130 Y 4.6726 7.7053 117.4500 60.6163 38.1243 178.2245 131 L 4.1609 8.3383 120.3667 57.8055 41.2709 179.5661 132 S 4.1760 8.4432 114.3343 61.6998 62.5283 176.4882 133 E 4.0335 8.0375 121.3438 58.0839 28.8152 178.4674 134 V 4.1856 7.3319 109.2968 60.5892 32.7318 175.1616 135 A 4.7124 7.4716 122.2004 50.5813 20.9031 177.0923 136 S 4.8241 8.1094 113.4853 57.3797 67.3907 174.8284 137 G 3.9260 8.5748 111.9658 46.9609 0.0000 175.0366 138 D 4.2743 9.1339 124.1984 57.0715 40.6795 176.4480 139 N 4.2050 8.2707 117.1643 56.9090 38.7153 176.3800 140 K 3.9770 7.9925 122.6970 60.3353 32.1743 179.3567 141 Q 4.0246 7.9638 120.4083 60.4530 27.8507 180.6640 142 T 4.0377 7.7919 116.5659 66.8951 68.5138 176.8436 143 T 3.6450 7.9863 117.7188 66.7978 68.5779 176.5287 144 V 3.8173 8.0416 119.9008 66.3773 31.4809 178.1274 145 S 4.1600 7.8276 112.6487 61.2527 62.2938 175.8859 146 N 4.0733 8.0579 119.4041 55.8204 37.9659 177.0707 147 S 3.7557 8.1002 115.2185 61.3134 62.3542 175.8007 148 Q 3.4700 7.6346 121.6896 59.2321 28.9372 178.2881 149 Q 3.8752 7.9946 120.0763 59.3073 29.0924 178.4511 150 A 3.8654 7.8742 121.5903 55.2070 18.2573 179.1050 151 Y 3.6891 7.5049 115.6373 61.0053 37.5503 178.8874 152 Q 4.1527 8.0792 120.7125 59.2320 29.1997 177.7151 153 E 3.9345 8.1170 119.9680 59.2340 29.6336 178.6577 154 A 4.0636 7.9754 120.7227 54.8881 18.3186 179.5064 155 F 4.4505 8.1651 120.5826 60.9770 39.5923 177.0473 156 E 3.9473 8.5041 118.4397 59.7042 29.2909 179.6498 157 I 3.6606 7.6353 119.1953 64.4728 36.9248 178.3313 158 S 4.1036 8.5941 115.4014 61.9529 62.2384 176.9167 159 K 3.9266 8.0138 121.1239 58.9364 31.8160 179.2502 160 K 4.1582 7.8950 118.0369 58.5476 32.0975 177.7031 161 E 4.6566 8.0147 114.7054 56.1532 30.7411 175.3699 162 M 4.9027 7.8476 117.4923 53.3032 36.6280 174.9953 163 Q 4.2430 8.4287 119.1767 55.3120 29.4858 176.1308 164 P 4.3760 0.0000 0.0000 65.1913 31.4655 177.5289 165 T 4.2642 7.6911 106.1646 61.8927 69.7039 174.8550 166 H 4.0259 7.9529 123.1783 56.0367 30.6663 172.9921 167 P 4.3108 0.0000 0.0000 66.1773 31.2053 178.2067 168 I 3.8009 8.1772 117.6252 64.7641 37.1535 178.3346 169 R 4.0074 7.9600 118.7438 59.3782 30.0470 178.3238 170 L 4.2395 8.9040 119.5372 57.8431 41.6593 179.7888 171 G 3.6642 8.9060 106.0279 47.4624 0.0000 175.6066 172 L 4.0260 8.4248 122.8223 58.0473 42.0948 178.9641 173 A 3.9270 8.0140 120.3969 54.9144 18.2985 179.1780 174 L 3.9188 8.1368 118.9085 58.5114 42.2033 178.8685 175 N 4.3315 8.1658 116.1414 56.4316 38.4283 177.2957 176 F 3.4579 8.2435 122.4355 60.8061 39.3559 177.3031 177 S 4.1717 8.5297 114.5200 61.6806 62.8162 176.7766 178 V 3.8307 8.0595 122.2217 65.3618 31.2304 177.5091 179 F 4.1182 8.3162 120.7052 61.7074 39.0607 176.8524 180 Y 3.7452 7.6627 116.0554 60.8666 37.5000 177.6999 181 Y 3.4984 7.7118 120.3787 60.6607 38.6948 177.5954 182 E 4.0506 8.6388 118.0791 58.2156 29.9340 177.6927 183 I 4.0135 7.1110 117.4630 63.1174 38.1355 176.9713 184 L 3.8947 7.0367 117.1978 54.8349 41.8843 176.2070 185 N 4.1024 7.6531 115.3312 53.7358 37.3634 174.8683 186 S 4.4681 7.8467 112.1955 54.8372 62.8869 171.8844 187 P 4.0305 0.0000 0.0000 65.2336 31.2919 178.2347 188 E 3.9488 7.9963 117.9104 58.9873 29.3739 179.1530 189 K 3.6268 7.7393 118.8830 59.1677 32.4601 178.3040 190 A 3.8640 7.5525 121.0631 55.5496 18.0811 179.4785 191 C 4.2755 8.4236 115.2674 62.9644 28.2543 176.0985 192 S 4.2210 8.1536 114.8879 61.5636 61.6207 176.0166 193 L 3.8984 8.3770 122.8342 57.8965 41.5795 178.7063 194 A 4.1858 7.8802 120.2571 54.4975 18.7248 179.3586 195 K 3.9513 8.9218 119.2767 59.9755 32.2705 178.7962 196 T 3.9552 8.0848 115.7892 67.0148 68.3452 176.3257 197 A 4.1455 7.8998 121.8860 55.0430 18.3291 179.2926 198 F 4.2369 8.7004 119.5367 61.6863 39.5688 176.8437 199 D 4.3134 9.0854 118.8592 57.7458 40.4852 179.0656 200 E 3.9768 8.2517 117.6043 59.0656 29.5406 179.1517 201 A 4.1008 7.6383 121.2881 55.0661 18.4368 179.5473 202 I 3.6417 7.4757 109.2599 62.7636 37.5124 177.7758 203 A 4.0862 7.6304 122.8830 54.5817 19.7919 178.8535 204 E 4.3775 7.6601 118.5868 55.5896 26.3063 177.7440 205 L 4.0705 7.4843 121.7697 57.5996 42.6958 180.0079 206 D 4.5359 8.0560 117.3613 56.0696 39.6044 177.6443 207 T 4.0183 7.7688 109.9903 64.2651 69.1499 174.9855 208 L 3.7240 6.9913 121.4402 54.1414 41.4313 176.0761 209 N 4.7783 8.7612 121.8891 51.1583 39.0871 175.1660 210 E 3.8521 9.2619 126.4672 60.1214 29.6299 179.2980 211 E 4.0915 8.2567 112.7989 58.7409 29.8248 179.9820 212 S 4.8040 8.6913 109.4280 58.3963 64.7359 175.0427 213 Y 4.1815 8.5884 127.3863 62.3252 38.2897 179.3141 214 K 3.6297 7.9534 124.8006 58.6190 31.7152 180.7523 215 D 4.4527 8.2133 118.4361 57.7638 40.9171 178.5522 216 S 4.1355 8.0713 115.3135 62.2302 62.3877 177.1113 217 T 3.8710 7.8102 111.6765 64.0635 68.4687 176.4865 218 L 3.8872 7.6519 123.6382 58.4014 42.1200 179.1053 219 I 3.8071 8.0332 119.8553 64.3579 36.9037 178.2294 220 M 4.2406 8.2992 119.9764 58.6765 31.7757 178.5843 221 Q 3.9051 7.9627 119.1275 58.9188 29.2572 178.0320 222 L 3.8509 7.9139 120.1532 57.6682 41.6732 179.5134 223 L 3.7907 8.1036 119.0149 57.6708 41.6073 179.2847 224 R 3.3292 7.7867 118.6799 60.0254 29.9183 177.6962 225 D 4.0955 8.3659 117.8076 58.0199 40.6858 179.0738 226 N 3.1572 7.7329 115.9104 55.9249 38.4157 177.1696 227 L 4.1432 7.2706 120.3228 58.5276 41.5697 179.9736 228 T 3.9655 7.5179 108.3085 64.3379 68.8718 176.1317 229 L 4.0050 7.7251 123.2776 58.0468 41.9476 179.1191 230 W 4.5080 8.3461 118.4225 59.8247 28.9839 178.0415 231 T 4.0857 8.4947 109.8811 64.0997 67.9451 174.1025 232 S 4.3978 7.8108 119.6204 58.0716 63.1672 173.5710 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 3 M 8.30 4.54 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 4 D 8.57 4.37 0.00 2.80 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.47 3.99 0.00 1.93 1.81 0.00 1.72 0.00 0.00 2.03 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.50 7.81 6 S 7.98 4.21 0.00 4.08 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 7 E 8.15 3.91 0.00 2.22 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 2.40 2.54 0.00 8 L 7.92 3.93 0.00 1.70 1.75 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.41 3.75 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.02 0.00 0.00 10 Q 7.99 3.87 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.43 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 11 K 8.07 3.80 0.00 1.85 2.02 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 12 A 8.05 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.08 4.05 0.00 2.00 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.61 7.81 14 L 8.43 3.91 0.00 1.84 1.67 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.18 4.08 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 16 E 8.17 3.62 0.00 2.06 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 0.00 2.39 2.58 0.00 17 Q 7.80 4.10 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 18 A 8.51 4.08 1.23 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 0.00 0.00 19 E 7.38 3.02 0.00 2.08 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 2.19 2.18 0.00 20 R 7.07 4.26 0.00 1.72 1.80 0.00 3.07 0.00 0.00 3.27 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 21 Y 7.90 4.41 0.00 3.01 2.90 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 22 D 8.03 4.37 0.00 2.68 2.69 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 23 D 7.90 4.25 0.00 2.95 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 24 M 7.84 3.85 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.63 0.00 25 A 7.92 3.78 0.64 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 0.00 0.00 26 A 8.13 3.97 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 27 A 8.72 3.89 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 28 M 7.92 4.12 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.95 0.00 29 K 8.49 4.06 0.00 1.93 2.15 0.00 1.96 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.50 7.81 30 A 7.91 4.04 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 31 V 8.07 3.50 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 1.01 0.00 0.00 0.92 0.00 0.00 32 T 8.27 3.80 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 1.05 0.00 0.00 33 E 7.56 3.17 0.00 1.94 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 2.26 2.22 0.00 34 Q 7.53 4.09 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.93 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 35 G 7.07 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 36 H 7.15 4.81 0.00 2.97 3.21 0.00 5.68 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 37 E 8.57 4.08 0.00 2.07 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 2.35 2.43 0.00 38 L 8.44 4.32 0.00 1.81 1.72 1.00 0.93 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 39 S 8.58 4.44 0.00 4.07 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 40 N 8.49 4.23 0.00 2.78 2.82 0.00 0.00 6.48 7.66 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 41 E 8.03 3.86 0.00 2.02 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 2.38 2.40 0.00 42 E 8.05 3.91 0.00 2.12 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 2.35 2.41 0.00 43 R 8.08 4.00 0.00 1.98 2.02 0.00 2.21 0.00 0.00 2.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.70 0.00 44 N 8.14 4.47 0.00 2.89 2.87 0.00 0.00 7.09 6.03 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 45 L 8.14 3.98 0.00 1.90 1.77 0.95 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.81 4.26 0.00 1.90 2.02 1.09 0.76 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 47 S 8.18 4.31 0.00 4.34 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 0.00 48 V 8.08 3.63 2.29 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 1.01 0.00 0.00 1.11 0.00 0.00 49 A 9.05 4.08 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 50 Y 8.56 3.98 0.00 3.20 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 51 K 8.47 4.12 0.00 1.97 2.13 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.51 7.81 52 N 7.97 4.16 0.00 2.18 1.85 0.00 0.00 6.64 6.96 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 53 V 7.82 3.59 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 1.12 0.00 0.00 0.88 0.00 0.00 54 V 8.22 3.72 2.32 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 0.93 0.00 0.00 0.94 0.00 0.00 55 G 8.20 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.81 4.10 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 57 R 7.55 3.90 0.00 1.88 1.98 0.00 3.20 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 58 R 8.27 3.86 0.00 1.67 1.87 0.00 2.21 0.00 0.00 2.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.51 0.00 59 S 7.92 4.10 0.00 3.94 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 60 S 8.19 4.16 0.00 4.13 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 61 W 8.77 4.13 0.00 3.39 3.35 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 62 R 8.33 3.92 0.00 2.18 2.05 0.00 3.29 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.14 0.00 63 V 7.89 3.54 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 1.05 0.00 0.00 0.95 0.00 0.00 64 I 7.86 3.71 1.82 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 1.75 1.09 0.89 0.00 0.00 65 S 7.86 3.95 0.00 3.16 3.40 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 66 S 8.14 4.05 0.00 3.79 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 67 I 7.78 3.83 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.47 0.89 0.00 0.00 68 E 8.05 4.01 0.00 2.06 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 2.31 2.41 0.00 69 Q 7.48 4.42 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 70 K 8.47 4.05 0.00 1.77 1.28 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.25 7.81 *76 K 9.27 4.35 0.00 1.79 1.78 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 77 K 7.57 4.52 0.00 1.76 1.67 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.01 7.81 78 Q 7.77 4.22 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 79 Q 8.12 4.16 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.83 0.00 0.00 0.00 0.00 0.00 2.37 1.97 0.00 80 M 8.42 4.30 0.00 1.99 2.10 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 2.55 2.67 0.00 81 G 8.13 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.09 4.08 0.00 1.84 1.83 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.52 7.81 83 E 8.00 4.09 0.00 1.98 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 2.24 2.19 0.00 84 Y 8.33 4.48 0.00 3.14 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 85 R 8.62 3.78 0.00 2.05 2.05 0.00 2.64 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.27 0.00 86 E 8.42 4.38 0.00 2.11 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 2.54 2.47 0.00 87 K 7.68 4.00 0.00 1.88 1.90 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.51 7.81 88 I 7.63 3.61 2.06 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.11 0.99 0.00 0.00 89 E 8.85 3.95 0.00 2.24 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 2.52 2.93 0.00 90 A 8.68 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 91 E 8.15 3.91 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 92 L 8.21 3.96 0.00 1.90 1.78 0.82 0.83 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 93 Q 8.49 4.05 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 94 D 8.10 4.39 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.78 3.80 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.82 1.15 0.00 0.00 96 C 8.16 4.22 0.00 3.02 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 97 N 8.38 4.21 0.00 2.71 2.82 0.00 0.00 6.97 7.67 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 98 D 8.17 4.29 0.00 3.01 2.64 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 99 V 7.57 2.97 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 -0.06 0.00 0.00 -0.34 0.00 0.00 100 L 7.76 3.76 0.00 1.43 1.34 -0.09 0.05 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 0.00 101 E 8.35 3.75 0.00 1.95 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 0.00 2.28 2.36 0.00 102 L 7.96 4.05 0.00 1.71 1.62 0.79 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.11 3.74 0.00 1.59 1.59 0.77 0.95 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 0.00 104 D 8.13 4.21 0.00 2.55 2.77 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 0.00 105 K 8.38 3.86 0.00 1.46 1.30 0.00 1.79 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 0.30 0.95 7.81 106 Y 7.32 4.63 0.00 3.01 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 0.00 107 L 7.99 3.49 0.00 1.03 0.13 0.67 0.48 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 0.00 108 I 7.85 3.94 1.92 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 1.44 1.06 0.93 0.00 0.00 109 P 0.00 4.25 0.00 2.14 2.14 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 110 N 8.50 4.51 0.00 2.91 2.94 0.00 0.00 7.02 7.11 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 0.00 111 A 7.62 4.62 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 0.00 112 T 8.46 4.55 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 1.26 0.00 0.00 113 Q 8.08 4.60 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.36 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 114 P 0.00 4.03 0.00 2.17 2.05 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 115 E 8.29 3.86 0.00 2.01 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 2.36 2.42 0.00 116 S 7.88 3.98 0.00 3.88 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 0.00 117 K 8.04 3.93 0.00 2.06 1.88 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.58 7.81 118 V 8.03 3.61 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 0.90 0.00 0.00 1.02 0.00 0.00 119 F 7.86 3.88 0.00 3.12 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 0.00 120 Y 8.29 4.47 0.00 3.10 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 0.00 121 L 8.06 3.97 0.00 1.72 1.81 0.94 0.44 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 0.00 122 K 8.43 3.69 0.00 1.82 1.71 0.00 1.72 0.00 0.00 1.37 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.52 7.81 123 M 7.83 4.04 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.61 0.00 124 K 8.18 3.76 0.00 1.77 1.86 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.44 7.81 125 G 7.36 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 0.00 0.00 0.00 126 D 7.75 4.18 0.00 2.44 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 7.82 3.49 0.00 2.84 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 0.00 128 F 7.76 4.32 0.00 3.06 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 0.00 129 R 8.00 4.04 0.00 2.12 2.04 0.00 3.28 0.00 0.00 3.53 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 130 Y 7.71 4.67 0.00 3.02 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 0.00 131 L 8.34 4.16 0.00 2.01 1.80 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 132 S 8.44 4.18 0.00 4.09 4.41 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 0.00 133 E 8.04 4.03 0.00 1.87 1.57 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 2.28 2.56 0.00 134 V 7.33 4.19 1.92 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 -0.31 0.00 0.00 0.89 0.00 0.00 135 A 7.47 4.71 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 0.00 136 S 8.11 4.82 0.00 3.99 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 0.00 137 G 8.57 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 0.00 138 D 9.13 4.27 0.00 2.70 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 0.00 139 N 8.27 4.20 0.00 2.84 3.09 0.00 0.00 6.76 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.99 3.98 0.00 1.81 1.94 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 141 Q 7.96 4.02 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 142 T 7.79 4.04 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 143 T 7.99 3.64 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 1.35 0.00 0.00 144 V 8.04 3.82 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 1.09 0.00 0.00 0.97 0.00 0.00 145 S 7.83 4.16 0.00 3.94 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 N 8.06 4.07 0.00 1.44 1.84 0.00 0.00 6.63 8.24 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 0.00 147 S 8.10 3.76 0.00 3.92 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 0.00 148 Q 7.63 3.47 0.00 2.37 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 149 Q 7.99 3.88 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 150 A 7.87 3.87 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.50 3.69 0.00 1.64 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 0.00 152 Q 8.08 4.15 0.00 2.42 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 153 E 8.12 3.93 0.00 2.23 1.91 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 2.32 2.34 0.00 154 A 7.98 4.06 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 0.00 155 F 8.17 4.45 0.00 3.45 3.36 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 0.00 156 E 8.50 3.95 0.00 2.25 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 2.58 0.00 157 I 7.64 3.66 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.73 0.92 0.00 0.00 158 S 8.59 4.10 0.00 4.02 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 0.00 159 K 8.01 3.93 0.00 1.74 1.76 0.00 1.36 0.00 0.00 1.52 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.09 0.83 7.81 160 K 7.89 4.16 0.00 2.13 1.86 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.35 7.81 161 E 8.01 4.66 0.00 1.95 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 2.37 0.00 162 M 7.85 4.90 0.00 1.96 2.00 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 2.50 2.45 0.00 163 Q 8.43 4.24 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.34 0.00 164 P 0.00 4.38 0.00 2.11 2.12 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 165 T 7.69 4.26 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 1.25 0.00 0.00 166 H 7.95 4.03 0.00 3.38 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 4.31 0.00 2.26 2.16 0.00 3.41 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 2.09 2.20 0.00 168 I 8.18 3.80 1.90 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 1.79 0.89 1.03 0.00 0.00 169 R 7.96 4.01 0.00 1.92 2.14 0.00 3.22 0.00 0.00 3.60 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 170 L 8.90 4.24 0.00 1.95 1.77 1.03 1.22 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 0.00 171 G 8.91 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.42 4.03 0.00 1.91 2.06 1.02 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 173 A 8.01 3.93 1.55 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 0.00 174 L 8.14 3.92 0.00 1.81 1.87 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.17 4.33 0.00 2.90 2.98 0.00 0.00 6.78 8.14 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 0.00 176 F 8.24 3.46 0.00 2.64 2.64 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 0.00 177 S 8.53 4.17 0.00 4.44 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 V 8.06 3.83 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 1.20 0.00 0.00 1.22 0.00 0.00 179 F 8.32 4.12 0.00 3.04 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 Y 7.66 3.75 0.00 3.03 2.95 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 0.00 181 Y 7.71 3.50 0.00 2.06 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 E 8.64 4.05 0.00 2.22 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 2.46 2.67 0.00 183 I 7.11 4.01 1.15 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 1.40 0.86 0.80 0.00 0.00 184 L 7.04 3.89 0.00 1.38 1.62 1.06 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 185 N 7.65 4.10 0.00 2.61 2.68 0.00 0.00 7.05 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 S 7.85 4.47 0.00 3.76 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 P 0.00 4.03 0.00 2.22 2.03 0.00 3.60 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.85 0.00 188 E 8.00 3.95 0.00 1.99 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 2.35 2.38 0.00 189 K 7.74 3.63 0.00 1.54 1.59 0.00 1.23 0.00 0.00 1.42 0.00 0.00 2.35 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.30 0.21 7.81 190 A 7.55 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 C 8.42 4.28 0.00 3.14 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 S 8.15 4.22 0.00 3.82 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 0.00 193 L 8.38 3.90 0.00 1.51 1.64 0.40 0.85 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 0.00 194 A 7.88 4.19 1.53 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 0.00 195 K 8.92 3.95 0.00 1.90 1.88 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.68 1.56 7.81 196 T 8.08 3.96 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 197 A 7.90 4.15 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 F 8.70 4.24 0.00 3.16 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 D 9.09 4.31 0.00 2.79 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 E 8.25 3.98 0.00 1.96 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 2.35 2.51 0.00 201 A 7.64 4.10 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 0.00 202 I 7.48 3.64 1.64 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.48 -0.04 0.00 0.00 203 A 7.63 4.09 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 E 7.66 4.38 0.00 1.95 1.91 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 2.27 2.32 0.00 205 L 7.48 4.07 0.00 1.70 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 206 D 8.06 4.54 0.00 2.76 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 0.00 207 T 7.77 4.02 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 1.21 0.00 0.00 208 L 6.99 3.72 0.00 1.97 1.78 1.02 1.04 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 0.00 209 N 8.76 4.78 0.00 2.95 2.95 0.00 0.00 5.82 7.66 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 0.00 210 E 9.26 3.85 0.00 1.93 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 2.32 2.22 0.00 211 E 8.26 4.09 0.00 2.02 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 2.24 1.90 0.00 212 S 8.69 4.80 0.00 3.92 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 0.00 213 Y 8.59 4.18 0.00 3.17 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 0.00 214 K 7.95 3.63 0.00 1.80 1.81 0.00 1.91 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.44 0.96 7.81 215 D 8.21 4.45 0.00 2.66 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 0.00 216 S 8.07 4.14 0.00 3.81 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 0.00 217 T 7.81 3.87 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 0.98 0.00 0.00 218 L 7.65 3.89 0.00 1.84 1.83 0.89 0.98 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 0.00 219 I 8.03 3.81 1.90 0.00 0.00 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 1.54 0.70 0.98 0.00 0.00 220 M 8.30 4.24 0.00 2.39 2.41 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.66 0.00 221 Q 7.96 3.91 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 222 L 7.91 3.85 0.00 1.85 1.62 0.91 0.37 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 0.00 223 L 8.10 3.79 0.00 1.87 1.66 1.06 1.07 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 0.00 224 R 7.79 3.33 0.00 1.09 1.85 0.00 3.02 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.43 0.00 225 D 8.37 4.10 0.00 2.76 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 N 7.73 3.16 0.00 1.93 1.42 0.00 0.00 7.15 6.69 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 0.00 227 L 7.27 4.14 0.00 1.72 1.65 0.76 0.79 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 0.00 228 T 7.52 3.97 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 229 L 7.73 4.01 0.00 1.60 1.60 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 230 W 8.35 4.51 0.00 3.47 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 0.00 231 T 8.49 4.09 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 1.27 0.00 0.00 232 S 7.81 4.40 0.00 3.95 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 * Residues marked with a * may have inaccurate shift predictions.