NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 N 4.4948 8.4249 118.1244 51.6870 40.7220 174.2964 16 L 3.1621 8.0859 113.0316 54.4638 39.2467 172.0801 17 P 4.3355 0.0000 0.0000 62.4274 33.0310 175.5597 18 I 4.3268 7.9207 122.0224 59.4515 38.7069 176.3809 19 N 4.4753 8.9392 123.4752 56.1379 38.9171 175.1684 20 Q 4.8347 7.7467 115.9042 54.3892 33.0076 174.0387 21 V 4.6459 9.1296 121.7121 59.2515 35.4823 174.9013 22 G 3.9453 7.1654 111.8071 46.3381 0.0000 173.5987 23 I 4.5704 6.7677 117.6887 58.4446 40.4071 174.4259 24 K 4.5932 7.7402 119.2782 56.4130 35.4504 175.1424 25 D 4.3452 8.6592 117.4320 55.4255 38.0700 174.0405 26 L 4.2503 7.6971 121.8723 54.7671 42.9868 175.7023 27 R 4.8449 8.6695 127.6664 56.2233 31.2932 175.3779 28 F 4.7713 9.2692 127.4562 56.3147 43.4251 171.4749 29 P 4.8952 0.0000 0.0000 62.7719 31.8530 175.5636 30 I 4.8549 8.8471 116.4971 59.5599 41.9810 173.8793 31 T 4.9912 8.4186 118.7162 61.6682 71.5056 172.8550 32 L 5.1404 9.3605 128.2523 52.9949 45.3096 174.7207 33 K 5.1650 9.1492 127.8371 54.9636 34.2551 175.0768 34 T 4.7397 9.0844 116.9975 59.0341 71.9111 174.4201 35 A 3.9512 8.8004 123.6519 55.5763 18.0261 178.3420 36 E 4.3682 8.6509 111.5053 55.9473 30.1499 175.7661 37 G 3.8236 6.9553 106.4959 44.2366 0.0000 172.5703 38 T 5.3286 8.1945 116.0599 61.9315 71.3476 173.7368 39 Q 4.6327 9.3235 122.2365 55.0773 32.9194 173.2836 40 S 5.1170 8.5283 115.5455 57.3059 65.1981 173.5114 41 T 4.7588 8.7954 118.3279 60.8306 71.6164 171.6205 42 V 4.7643 8.5719 121.0156 61.0889 33.6617 174.8452 43 A 5.3146 9.3891 129.6094 50.5209 22.3100 175.1205 44 R 5.0804 9.0966 119.0546 54.5622 32.8516 175.4142 45 L 5.2428 9.0924 123.8819 53.3354 44.7924 175.7861 46 T 5.3526 9.1414 119.1921 60.8218 72.7256 173.0238 *48 T 4.3262 8.1616 111.8060 62.0250 70.5767 173.0177 49 V 5.0774 8.7254 114.7083 59.5875 36.6904 174.2225 50 Y 4.7478 8.8017 124.1105 57.2129 39.5580 174.7809 51 L 4.5045 8.1014 128.7006 52.3869 44.3903 173.8415 52 P 4.4336 0.0000 0.0000 62.6809 32.1168 177.2309 53 A 4.0761 8.8432 125.6345 55.1828 18.1898 178.5902 54 E 4.4877 8.0021 109.5551 55.9206 30.0783 175.1206 55 Q 4.3025 7.6174 120.8354 55.3184 29.8610 175.7601 56 K 4.0969 8.6985 126.3368 58.9402 32.6885 176.4055 57 G 4.0266 7.5139 104.4693 45.0411 0.0000 171.8589 58 T 4.3910 8.0855 114.5271 60.6368 69.6797 172.7189 59 H 4.8819 8.1967 117.6303 53.9996 31.7222 175.1999 *61 S 4.4735 8.2907 113.9718 58.4551 64.8414 176.4006 62 R 3.8114 7.6425 120.6797 58.9592 29.3449 178.7181 63 F 4.1437 7.7438 116.4467 60.5891 39.0529 177.4646 64 V 3.6792 7.8315 115.4386 66.0905 31.9651 177.1517 65 A 4.1836 8.1679 120.6853 55.2018 18.1604 179.5210 66 L 3.9261 7.9715 114.7725 56.4663 41.5864 178.3383 *68 E 4.5772 8.0745 118.3334 55.9737 31.2882 176.7397 69 Q 4.0734 7.9637 117.5052 57.2633 29.3754 174.9593 70 H 4.7191 7.6093 116.5504 55.4864 28.9003 174.6529 71 T 4.5987 8.0538 127.1761 63.1075 69.1576 174.8131 72 E 4.5236 7.3045 119.3996 54.4074 31.5820 176.3625 73 V 3.7491 8.0721 121.5048 63.0143 32.2267 175.4274 74 L 4.3336 9.2803 130.8482 55.3107 43.3869 174.9447 75 D 4.6997 8.5242 122.3075 52.5292 44.2371 175.9545 76 F 4.0901 9.1043 124.3709 61.7469 39.2129 177.4139 77 A 4.0137 9.4732 120.8565 55.2062 18.1229 179.4377 78 Q 3.9331 8.1986 117.5748 58.9620 29.1554 177.9597 79 L 3.9376 8.0074 121.7766 57.9691 42.1581 178.2988 80 H 3.3100 7.6088 118.6842 58.9309 29.6237 177.5180 81 R 3.7523 7.8461 117.9034 59.1209 29.0837 178.5552 82 L 3.8968 7.8782 119.1511 58.0668 41.6943 179.4490 83 T 4.0962 7.7532 114.2574 66.3953 68.7695 176.5788 84 A 4.2066 7.9280 122.7242 54.8955 18.3911 180.1343 85 E 3.8174 8.1902 115.5026 57.0902 29.5827 178.9073 *87 V 4.0370 7.8584 112.6798 60.8690 34.0867 177.9546 88 A 3.9516 8.0297 122.5269 55.0850 18.4909 179.3891 89 L 3.8686 7.9260 116.6293 58.1517 42.1219 177.7090 90 L 4.1770 7.7909 114.9207 54.0384 42.1258 176.1212 91 D 4.3615 7.6787 117.5893 55.7229 38.5037 172.5719 92 S 4.8359 8.4597 111.5173 56.2915 66.3945 173.3761 93 R 4.2589 8.6274 123.1209 58.7974 31.1583 175.3019 94 A 4.8192 7.1881 117.7889 50.7004 23.4022 175.2517 95 G 4.4217 7.8011 106.3503 46.4474 0.0000 171.8545 96 K 5.1099 9.0324 118.7950 54.5743 36.1668 176.3866 97 I 4.6901 8.8545 124.7782 59.5415 40.1924 174.3637 98 S 5.2176 9.4743 122.4405 56.2855 65.1570 172.8044 99 V 5.0564 9.0855 127.0704 60.0915 33.9604 174.6310 100 S 5.2840 8.9352 121.5893 56.7082 65.9948 173.1026 101 F 5.0966 8.2436 116.8789 55.4678 41.4457 171.3073 102 P 4.8151 0.0000 0.0000 62.5073 32.1170 175.4422 103 F 5.0820 9.8214 127.9638 56.5172 41.7731 173.8871 104 F 5.2480 8.5500 124.8225 55.8803 41.0370 175.3616 105 R 4.6227 9.0507 122.3906 54.2545 33.5660 173.9852 106 K 4.6110 8.9457 128.0970 56.6191 32.9355 175.8893 107 K 4.9117 9.7382 126.4279 54.9423 36.2859 174.8932 108 T 5.0769 8.4329 117.5518 61.4050 70.7938 174.2817 109 A 3.5020 8.8924 129.3706 51.2547 18.9509 176.9238 110 P 3.9534 0.0000 0.0000 64.6365 31.8595 176.9394 111 V 3.9635 7.5673 115.9653 64.3386 32.9714 176.8811 112 S 4.0708 8.5264 113.1579 59.1285 63.0646 175.4323 113 G 3.8501 7.7291 108.0133 45.4445 0.0000 173.6848 114 I 3.8471 7.3956 121.4818 61.5053 38.0150 175.4764 115 R 5.2069 8.4809 125.5829 55.4988 31.7375 175.6961 116 S 4.7058 8.8089 115.3281 57.4498 66.7173 173.5731 117 L 4.9793 8.5015 120.8716 54.2785 42.8346 175.9547 118 L 4.9356 9.1444 124.0095 53.2319 45.5616 174.5453 119 D 4.8126 8.2905 123.6419 51.8576 41.2021 175.0980 120 Y 4.7479 9.1936 119.0291 56.2697 42.1338 174.0066 121 D 5.2299 8.6072 121.6752 53.0175 42.9016 175.6220 122 V 4.5421 8.4141 123.3828 61.0043 34.9837 174.3428 123 S 4.9855 8.6870 121.6736 56.6814 66.2921 173.3499 124 L 4.9636 9.1031 124.5256 53.2027 44.7880 175.5495 125 T 5.0551 8.7648 119.7599 61.7107 71.9549 173.0533 126 G 4.4734 9.0259 113.7977 44.2444 0.0000 172.3758 127 E 5.2946 7.9374 123.4104 53.4133 33.9442 174.0449 *129 K 4.2360 8.5064 117.7748 57.1663 31.8398 175.3050 130 D 4.4747 9.0264 126.2910 54.9764 38.4562 175.7952 131 G 3.8918 8.6614 107.9629 45.1513 0.0000 174.0154 132 A 4.3682 7.2881 123.2368 51.2397 19.3847 176.2298 133 Y 4.7643 8.5611 124.5299 56.8331 40.3635 174.2563 134 G 4.1542 7.8610 112.5166 44.6099 0.0000 170.7480 135 H 5.4186 8.2863 122.7774 54.3898 33.7704 172.7594 136 S 5.1311 7.9741 116.7567 56.8135 66.8916 171.9576 *138 K 4.5033 8.4760 119.2853 57.0116 33.3409 175.3050 139 V 4.9736 8.2964 126.8425 60.3311 35.6126 173.2365 *141 I 4.5244 8.2489 119.8100 60.7582 38.4844 173.4504 142 P 5.0526 0.0000 0.0000 63.0394 32.4356 175.9316 143 V 4.5757 9.0220 115.2910 60.7497 36.6074 173.3510 144 T 5.1795 8.9628 118.0577 62.2049 70.9524 174.3953 145 S 4.8511 8.9555 119.8716 56.3635 66.3721 172.5833 146 L 4.9113 8.2549 123.5345 53.2819 45.5800 174.6867 147 C 4.3667 8.3084 126.0116 57.9105 32.0602 172.3996 148 P 3.9416 0.0000 0.0000 65.5867 30.8756 178.1653 149 C 4.1163 7.7774 117.0342 62.4603 31.2640 175.2812 150 S 4.0724 8.0074 114.2177 61.2281 61.7760 175.8664 151 K 3.8470 7.5992 120.8089 59.5717 32.0458 177.8076 152 E 4.0081 8.0215 118.5231 59.1591 29.5564 178.2419 153 I 4.0726 7.6370 111.3726 61.0978 38.5141 175.9351 154 S 4.7027 6.8832 114.6153 56.4286 64.6642 174.4116 155 Q 4.0454 8.1654 119.6470 58.5052 28.8653 175.2013 156 Y 4.7355 7.2835 114.4371 56.9592 40.4089 174.1643 157 G 4.2533 9.9800 107.7656 45.7958 0.0000 173.1496 158 A 4.5826 8.1824 121.1335 50.6044 22.4172 176.0987 159 H 4.6040 9.0456 120.1770 55.7455 29.7826 174.3746 160 N 5.7319 8.3665 118.2944 51.4726 41.2298 172.3845 161 Q 4.6188 8.2914 114.8832 55.3936 32.3796 173.2834 162 R 4.5690 8.3378 120.2933 56.4875 31.5766 174.8846 163 S 5.1108 9.3757 119.7883 56.8847 66.3083 172.0473 164 H 5.4730 9.1187 123.4455 54.3194 30.7051 173.5746 165 V 4.8140 8.6436 124.1370 61.4866 33.2114 174.9374 166 T 4.8421 9.1422 124.6870 61.7893 71.6241 172.9369 167 V 4.7636 8.8344 127.0686 61.2410 33.9452 174.2862 168 S 5.2795 9.1372 124.6420 56.7111 65.3102 173.2600 169 L 5.4151 8.3562 122.8742 54.6319 44.3598 174.5303 170 T 5.0197 8.7739 110.0493 60.1462 70.7625 172.9700 171 S 4.9002 8.7428 117.4770 57.6979 66.9051 174.2843 172 D 4.3091 8.3735 119.5383 56.5518 41.2822 177.7017 173 A 4.1471 7.6335 121.3481 51.4403 19.1523 176.8954 174 E 3.6051 7.9324 118.5810 55.8206 30.2022 176.5238 175 V 4.2312 8.0633 121.9104 60.3902 33.6407 175.9923 176 G 3.8070 8.8298 115.9679 44.1478 0.0000 174.1112 177 I 3.5416 8.1949 124.7644 64.1518 36.7535 178.7373 178 E 3.8649 7.9448 117.7832 59.2026 29.4122 178.8967 179 E 3.6451 7.8072 119.2175 59.2125 29.4100 179.2615 180 V 3.6527 7.4387 117.7946 65.9523 31.4634 178.1249 181 I 3.6060 7.6447 119.6305 64.2854 36.8347 178.1880 182 D 4.2588 7.9985 119.6653 57.6732 40.4614 178.1772 183 Y 4.4165 7.4050 115.8417 61.1614 38.2205 178.8196 184 V 3.8969 7.4993 118.6701 65.7412 31.9053 178.0431 185 E 4.0490 8.4938 118.5919 59.5015 29.0190 179.0962 186 T 3.9318 7.6580 115.2534 66.7108 68.6974 175.4891 187 Q 4.3439 7.6641 115.6742 55.1641 29.5511 176.0388 188 A 4.3104 6.9952 123.0649 51.4780 19.7220 177.6756 189 S 4.3239 8.6380 116.5014 60.6910 63.2308 174.5033 190 C 4.7756 7.7095 116.8166 58.4517 34.4691 172.9281 191 Q 4.6299 8.4680 122.6285 54.9474 30.0597 174.7177 192 L 4.6306 7.8003 117.6482 53.6047 43.3521 175.9424 193 Y 4.8595 8.1103 117.4709 56.1573 41.8429 176.1640 194 G 3.7311 8.9550 111.7237 47.5217 0.0000 173.8660 195 L 4.7313 7.9051 120.9012 52.8280 44.2786 175.2677 196 L 4.7041 8.3758 125.0101 52.3809 45.2001 177.1316 197 K 4.4160 8.7934 122.6327 54.7412 34.9320 178.1620 198 R 3.9370 8.4880 119.1244 59.4721 29.9079 177.4637 199 P 4.2824 0.0000 0.0000 65.8615 31.1067 178.1710 200 D 4.2395 7.9471 118.1909 57.1960 40.8115 178.0347 201 E 3.9455 8.3839 120.0030 59.0408 29.6066 178.5649 202 K 3.8556 8.2074 119.6973 59.8354 32.2750 177.8723 203 Y 4.0173 8.0858 119.8719 60.7363 38.6426 178.6854 204 V 3.7357 8.3087 120.1741 65.0924 31.7829 178.2194 205 T 3.8701 8.0955 116.8907 66.5248 68.3851 176.3427 206 E 3.9291 8.0842 120.0643 59.2988 29.3009 179.3279 207 K 3.7979 7.7434 118.2181 59.3323 32.4965 178.3977 208 A 4.3565 7.9697 122.4746 54.7947 18.0982 178.8794 209 Y 3.9104 7.7550 116.8195 60.8118 38.9467 177.7303 210 E 4.2574 8.1523 117.1957 56.9861 30.8101 176.1025 211 N 4.9908 7.7175 117.0260 51.4964 38.9188 171.7940 212 P 4.4910 0.0000 0.0000 62.7502 32.8616 178.0936 213 K 4.4388 8.5817 122.6678 54.8787 35.8415 176.4320 214 F 4.6742 8.5638 124.0728 57.1148 39.7936 177.0237 215 V 3.6829 8.6807 120.0182 64.9394 31.7761 177.5783 216 E 4.1036 8.3929 119.8439 59.5436 29.5513 179.2967 217 D 4.5711 7.8581 117.6622 54.6541 40.4316 178.8831 *219 V 4.0858 7.9351 114.5239 61.6134 33.9494 178.3112 220 R 3.9263 7.9910 118.5211 59.5030 29.3262 178.9014 221 D 4.3272 8.4846 119.0202 57.2960 40.8200 179.0578 222 V 3.5175 7.6991 118.1409 65.8162 31.6140 177.7879 223 A 3.6366 8.1688 120.7253 55.2443 18.1945 179.7321 224 T 3.7330 7.7443 114.1708 66.8912 68.3936 176.9850 225 S 3.8458 7.4433 115.9700 61.4660 62.5179 176.8726 226 L 3.4040 6.8752 120.5516 57.4589 41.2785 179.1309 227 I 3.5014 7.5222 119.0407 64.1635 37.0179 178.0130 228 A 4.1543 7.4854 120.7967 53.8353 18.0404 177.6264 229 D 4.3178 7.2730 118.5391 54.4073 41.3852 177.0898 230 K 4.2358 8.5897 126.0394 58.3964 32.5569 178.5565 231 R 4.0446 8.3735 118.7876 58.7207 30.2316 176.3369 232 I 4.2743 7.2717 118.6251 61.0173 36.8430 176.5436 233 K 4.5068 8.9671 128.0984 58.7650 32.9460 177.4705 234 S 5.1182 7.8810 110.1775 57.4337 66.9500 173.1235 235 F 5.3373 8.6494 114.6972 56.4851 41.6260 172.8609 236 V 4.9891 9.1936 119.1504 61.3109 35.1240 173.9173 237 V 5.0097 9.1136 127.4819 61.0511 34.2301 173.8621 238 E 5.2004 9.3189 126.0042 54.5308 32.9403 174.7301 239 S 5.1544 8.8352 116.2701 56.4994 65.8529 171.9720 240 E 5.0694 9.4250 128.2761 54.5442 32.1678 174.0394 241 N 4.9240 9.0779 125.4372 51.1368 40.2001 175.7165 242 F 4.8041 8.0139 127.6964 55.4213 36.2742 175.9718 243 E 4.6295 8.3800 117.5656 56.4610 29.9869 178.7057 244 S 4.6032 8.9705 115.6378 58.6775 63.5090 174.2993 245 I 4.2523 7.4278 112.9542 60.9953 38.5696 174.3234 246 H 5.0413 7.5955 116.1388 54.3577 31.9642 172.3708 247 N 4.9834 8.6072 116.4825 53.4396 39.0168 173.3098 248 H 5.0206 7.7755 110.8125 53.9688 31.9002 171.6099 249 S 5.0433 8.3670 114.1319 56.5845 65.4206 174.4604 250 A 4.4265 8.4358 124.7544 52.2899 19.7015 175.9555 251 Y 5.3863 8.3265 119.9710 56.4975 42.1135 173.7852 252 A 4.5385 8.2470 126.3180 50.8953 23.1676 174.4637 253 Y 5.3015 7.7140 116.1071 55.8352 41.3817 174.1409 254 I 4.7992 9.1262 120.9182 59.5799 40.9593 174.1957 255 A 5.1377 8.8522 127.8869 50.2213 21.5586 174.8860 256 Y 4.2021 8.1655 124.8154 55.5702 41.9616 174.4957 *257 P 4.0263 0.0000 0.0000 62.2420 31.5531 172.8373 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 15 N 8.42 4.49 0.00 2.72 3.01 0.00 0.00 7.21 6.97 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 16 L 8.09 3.16 0.00 1.74 1.63 0.92 0.74 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 17 P 0.00 4.34 0.00 2.01 1.81 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 18 I 7.92 4.33 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.66 0.89 0.00 0.00 19 N 8.94 4.48 0.00 2.77 2.95 0.00 0.00 6.89 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 7.75 4.83 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 21 V 9.13 4.65 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 0.95 0.00 0.00 0.93 0.00 0.00 22 G 7.17 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 0.00 0.00 0.00 23 I 6.77 4.57 1.78 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 1.08 0.75 0.85 0.00 0.00 24 K 7.74 4.59 0.00 1.78 1.69 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.42 7.81 25 D 8.66 4.35 0.00 2.86 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 26 L 7.70 4.25 0.00 1.83 1.57 1.01 0.58 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 27 R 8.67 4.84 0.00 1.93 1.88 0.00 3.35 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 28 F 9.27 4.77 0.00 3.15 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 29 P 0.00 4.90 0.00 1.75 1.84 0.00 2.32 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 30 I 8.85 4.85 1.88 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.69 1.13 0.00 0.00 31 T 8.42 4.99 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 1.21 0.00 0.00 32 L 9.36 5.14 0.00 1.52 1.47 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 33 K 9.15 5.17 0.00 1.78 1.70 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.38 7.81 34 T 9.08 4.74 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 35 A 8.80 3.95 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 36 E 8.65 4.37 0.00 2.06 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 2.30 2.34 0.00 37 G 6.96 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 0.00 0.00 0.00 38 T 8.19 5.33 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 39 Q 9.32 4.63 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 40 S 8.53 5.12 0.00 3.71 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.80 4.76 4.39 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 1.15 0.00 0.00 42 V 8.57 4.76 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 0.92 0.00 0.00 0.96 0.00 0.00 43 A 9.39 5.31 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 44 R 9.10 5.08 0.00 1.79 1.89 0.00 3.11 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 45 L 9.09 5.24 0.00 1.52 1.52 0.82 0.46 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 46 T 9.14 5.35 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 *48 T 8.16 4.33 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 1.07 0.00 0.00 49 V 8.73 5.08 2.30 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 0.90 0.00 0.00 1.16 0.00 0.00 50 Y 8.80 4.75 0.00 2.96 2.88 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 51 L 8.10 4.50 0.00 1.67 1.31 0.88 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.43 0.00 2.11 2.05 0.00 3.72 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 53 A 8.84 4.08 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.00 4.49 0.00 2.07 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 2.27 0.00 55 Q 7.62 4.30 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.06 0.00 0.00 0.00 0.00 0.00 2.46 2.28 0.00 56 K 8.70 4.10 0.00 1.74 1.79 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.41 7.81 57 G 7.51 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.09 4.39 4.30 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 1.39 0.00 0.00 59 H 8.20 4.88 0.00 3.15 3.13 0.00 5.90 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *61 S 8.29 4.47 0.00 4.05 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.64 3.81 0.00 1.61 1.79 0.00 2.96 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 63 F 7.74 4.14 0.00 3.05 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 64 V 7.83 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 0.90 0.00 0.00 0.99 0.00 0.00 65 A 8.17 4.18 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 66 L 7.97 3.93 0.00 1.81 1.83 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 *68 E 8.07 4.58 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 69 Q 7.96 4.07 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 70 H 7.61 4.72 0.00 3.27 3.37 0.00 5.77 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.05 4.60 4.23 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 1.21 0.00 0.00 72 E 7.30 4.52 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 73 V 8.07 3.75 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.93 0.00 0.00 74 L 9.28 4.33 0.00 1.81 1.55 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.52 4.70 0.00 2.85 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 9.10 4.09 0.00 3.19 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 9.47 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.20 3.93 0.00 2.21 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.87 0.00 0.00 0.00 0.00 0.00 2.72 2.52 0.00 79 L 8.01 3.94 0.00 1.84 1.72 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 80 H 7.61 3.31 0.00 2.29 3.05 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.85 3.75 0.00 1.98 2.18 0.00 2.80 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 82 L 7.88 3.90 0.00 1.82 1.75 0.74 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.75 4.10 4.51 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 1.35 0.00 0.00 84 A 7.93 4.21 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 85 E 8.19 3.82 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 *87 V 7.86 4.04 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 0.73 0.00 0.00 1.05 0.00 0.00 88 A 8.03 3.95 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 89 L 7.93 3.87 0.00 1.65 1.67 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.79 4.18 0.00 1.55 1.61 0.25 0.48 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 91 D 7.68 4.36 0.00 2.83 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 92 S 8.46 4.84 0.00 3.79 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 0.00 93 R 8.63 4.26 0.00 1.97 1.84 0.00 3.27 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 94 A 7.19 4.82 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 7.80 4.42 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 0.00 96 K 9.03 5.11 0.00 1.58 1.66 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.41 7.81 97 I 8.85 4.69 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.79 0.94 0.00 0.00 98 S 9.47 5.22 0.00 3.80 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 9.09 5.06 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 1.02 0.00 0.00 1.26 0.00 0.00 100 S 8.94 5.28 0.00 3.79 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.24 5.10 0.00 3.18 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.82 0.00 2.01 1.99 0.00 3.96 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 2.20 2.17 0.00 103 F 9.82 5.08 0.00 3.28 3.08 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 0.00 0.00 0.00 104 F 8.55 5.25 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 0.00 105 R 9.05 4.62 0.00 2.04 2.02 0.00 3.12 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 106 K 8.95 4.61 0.00 1.85 1.75 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.52 7.81 107 K 9.74 4.91 0.00 1.94 1.94 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.74 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.44 1.50 7.81 108 T 8.43 5.08 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 109 A 8.89 3.50 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 3.95 0.00 1.11 1.98 0.00 3.03 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 111 V 7.57 3.96 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 0.81 0.00 0.00 0.74 0.00 0.00 112 S 8.53 4.07 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 0.00 113 G 7.73 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.40 3.85 1.83 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 1.20 0.61 0.90 0.00 0.00 115 R 8.48 5.21 0.00 1.70 1.87 0.00 3.25 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 116 S 8.81 4.71 0.00 3.92 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 0.00 117 L 8.50 4.98 0.00 1.66 1.87 0.76 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 118 L 9.14 4.94 0.00 1.69 1.41 0.81 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.29 4.81 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 9.19 4.75 0.00 2.92 2.88 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 0.00 121 D 8.61 5.23 0.00 2.55 2.53 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 0.00 122 V 8.41 4.54 1.20 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 0.70 0.00 0.00 0.73 0.00 0.00 123 S 8.69 4.99 0.00 3.65 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 9.10 4.96 0.00 1.72 1.68 1.23 0.59 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 0.00 125 T 8.76 5.06 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 126 G 9.03 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 0.00 0.00 0.00 127 E 7.94 5.29 0.00 1.92 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 *129 K 8.51 4.24 0.00 1.82 1.72 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.43 7.81 130 D 9.03 4.47 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 8.66 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.29 4.37 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 0.00 133 Y 8.56 4.76 0.00 3.00 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 0.00 134 G 7.86 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 H 8.29 5.42 0.00 3.33 3.26 0.00 5.57 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 S 7.97 5.13 0.00 4.00 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 *138 K 8.48 4.50 0.00 1.86 1.71 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.43 7.81 139 V 8.30 4.97 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 1.05 0.00 0.00 0.81 0.00 0.00 *141 I 8.25 4.52 1.96 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 1.45 0.45 1.09 0.00 0.00 142 P 0.00 5.05 0.00 2.04 2.11 0.00 3.39 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.00 0.00 143 V 9.02 4.58 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.98 0.00 0.00 144 T 8.96 5.18 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 145 S 8.96 4.85 0.00 3.87 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 0.00 146 L 8.25 4.91 0.00 1.67 1.41 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 147 C 8.31 4.37 0.00 2.78 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 P 0.00 3.94 0.00 1.42 1.68 0.00 2.30 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.53 0.00 149 C 7.78 4.12 0.00 3.31 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.01 4.07 0.00 3.96 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 0.00 151 K 7.60 3.85 0.00 1.49 1.74 0.00 1.23 0.00 0.00 1.28 0.00 0.00 2.74 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 0.83 7.81 152 E 8.02 4.01 0.00 2.01 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 0.00 2.32 2.31 0.00 153 I 7.64 4.07 1.87 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 1.93 0.75 0.99 0.00 0.00 154 S 6.88 4.70 0.00 4.02 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 0.00 155 Q 8.17 4.05 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 1.71 1.16 0.00 156 Y 7.28 4.74 0.00 2.97 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 0.00 157 G 9.98 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 0.00 0.00 0.00 158 A 8.18 4.58 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 0.00 159 H 9.05 4.60 0.00 3.30 3.49 0.00 5.40 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 N 8.37 5.73 0.00 2.81 2.82 0.00 0.00 6.01 7.39 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 0.00 161 Q 8.29 4.62 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.03 0.00 0.00 0.00 0.00 0.00 2.23 2.52 0.00 162 R 8.34 4.57 0.00 1.95 1.87 0.00 3.08 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 163 S 9.38 5.11 0.00 3.90 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 H 9.12 5.47 0.00 3.31 3.29 0.00 5.66 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 V 8.64 4.81 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.98 0.00 0.00 166 T 9.14 4.84 4.30 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 1.28 0.00 0.00 167 V 8.83 4.76 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.92 0.00 0.00 168 S 9.14 5.28 0.00 3.80 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.36 5.42 0.00 1.90 1.78 0.99 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 170 T 8.77 5.02 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 0.00 171 S 8.74 4.90 0.00 4.05 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 D 8.37 4.31 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 0.00 173 A 7.63 4.15 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 E 7.93 3.61 0.00 1.16 1.12 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 1.98 2.05 0.00 175 V 8.06 4.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.00 0.00 0.00 176 G 8.83 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 I 8.19 3.54 1.32 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.75 0.05 0.00 0.00 178 E 7.94 3.86 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 179 E 7.81 3.65 0.00 2.04 1.65 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 2.22 2.24 0.00 180 V 7.44 3.65 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.98 0.00 0.00 181 I 7.64 3.61 1.74 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.32 0.67 0.00 0.00 182 D 8.00 4.26 0.00 2.60 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 0.00 183 Y 7.41 4.42 0.00 3.05 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 0.00 184 V 7.50 3.90 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 1.08 0.00 0.00 1.00 0.00 0.00 185 E 8.49 4.05 0.00 2.06 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 2.38 2.54 0.00 186 T 7.66 3.93 4.40 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 1.25 0.00 0.00 187 Q 7.66 4.34 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 188 A 7.00 4.31 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 0.00 189 S 8.64 4.32 0.00 4.12 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 0.00 190 C 7.71 4.78 0.00 2.98 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 Q 8.47 4.63 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 192 L 7.80 4.63 0.00 1.53 1.57 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 193 Y 8.11 4.86 0.00 2.94 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 0.00 194 G 8.96 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 L 7.91 4.73 0.00 1.60 1.55 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 196 L 8.38 4.70 0.00 1.63 1.49 1.04 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 197 K 8.79 4.42 0.00 1.84 1.71 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.59 7.81 198 R 8.49 3.94 0.00 1.84 2.01 0.00 3.13 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 199 P 0.00 4.28 0.00 2.23 2.30 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 200 D 7.95 4.24 0.00 2.93 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 0.00 201 E 8.38 3.95 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 202 K 8.21 3.86 0.00 1.88 2.01 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.54 7.81 203 Y 8.09 4.02 0.00 3.22 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 V 8.31 3.74 2.38 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 0.91 0.00 0.00 1.16 0.00 0.00 205 T 8.10 3.87 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 1.20 0.00 0.00 206 E 8.08 3.93 0.00 1.97 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 0.00 2.24 2.36 0.00 207 K 7.74 3.80 0.00 1.20 1.71 0.00 1.62 0.00 0.00 1.58 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.46 7.81 208 A 7.97 4.36 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 0.00 209 Y 7.75 3.91 0.00 3.11 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 E 8.15 4.26 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 211 N 7.72 4.99 0.00 2.74 2.68 0.00 0.00 7.06 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 0.00 212 P 0.00 4.49 0.00 1.71 1.70 0.00 3.58 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.99 0.00 213 K 8.58 4.44 0.00 1.52 1.64 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.36 7.81 214 F 8.56 4.67 0.00 3.15 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 V 8.68 3.68 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 0.71 0.00 0.00 0.93 0.00 0.00 216 E 8.39 4.10 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 217 D 7.86 4.57 0.00 2.88 2.70 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 *219 V 7.94 4.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.00 0.00 0.00 220 R 7.99 3.93 0.00 2.12 1.98 0.00 3.24 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 221 D 8.48 4.33 0.00 2.69 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 0.00 222 V 7.70 3.52 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 0.93 0.00 0.00 0.92 0.00 0.00 223 A 8.17 3.64 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 0.00 224 T 7.74 3.73 4.30 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 1.15 0.00 0.00 225 S 7.44 3.85 0.00 3.49 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 0.00 226 L 6.88 3.40 0.00 0.40 0.79 0.17 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 227 I 7.52 3.50 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 0.66 0.51 0.80 0.00 0.00 228 A 7.49 4.15 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 0.00 229 D 7.27 4.32 0.00 2.54 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 K 8.59 4.24 0.00 1.80 1.87 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.41 7.81 231 R 8.37 4.04 0.00 2.02 1.98 0.00 3.08 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 232 I 7.27 4.27 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 1.10 0.00 0.00 233 K 8.97 4.51 0.00 1.71 1.91 0.00 1.89 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.52 7.81 234 S 7.88 5.12 0.00 3.79 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 0.00 235 F 8.65 5.34 0.00 3.22 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 V 9.19 4.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.87 0.00 0.00 237 V 9.11 5.01 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 1.04 0.00 0.00 1.01 0.00 0.00 238 E 9.32 5.20 0.00 2.13 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 2.31 0.00 239 S 8.84 5.15 0.00 3.87 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 E 9.42 5.07 0.00 2.13 1.69 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 1.47 1.92 0.00 241 N 9.08 4.92 0.00 2.64 2.74 0.00 0.00 6.59 8.17 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 0.00 242 F 8.01 4.80 0.00 2.91 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 0.00 243 E 8.38 4.63 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 244 S 8.97 4.60 0.00 4.03 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 I 7.43 4.25 1.70 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 1.08 0.19 0.76 0.00 0.00 246 H 7.60 5.04 0.00 2.99 2.98 0.00 5.64 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 0.00 247 N 8.61 4.98 0.00 2.68 2.82 0.00 0.00 6.72 7.89 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 0.00 248 H 7.78 5.02 0.00 3.21 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 249 S 8.37 5.04 0.00 3.62 3.58 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 0.00 250 A 8.44 4.43 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 251 Y 8.33 5.39 0.00 2.83 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 0.00 252 A 8.25 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 253 Y 7.71 5.30 0.00 2.82 2.55 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 0.00 254 I 9.13 4.80 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.78 1.02 0.00 0.00 255 A 8.85 5.14 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 0.00 256 Y 8.17 4.20 0.00 2.24 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 *257 P 0.00 4.03 0.00 1.60 1.56 0.00 2.43 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.34 0.00 * Residues marked with a * may have inaccurate shift predictions.