NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2512 7.8827 121.4524 61.2082 38.7023 173.7535 17 V 4.3609 8.7519 126.1241 61.8880 32.7505 174.5997 18 G 3.7667 8.6551 114.2769 46.7549 0.0000 172.9504 19 G 4.3116 7.6372 109.4494 43.9345 0.0000 172.4174 20 Y 4.9753 7.7455 116.5807 55.1116 42.7189 174.9817 21 T 4.2675 8.5609 117.1276 64.1536 68.8918 176.0424 22 C 4.1314 8.7957 125.4918 59.3942 35.3768 175.4780 23 G 4.0278 7.8644 105.1896 44.7848 0.0000 172.8603 24 A 4.3021 8.5202 126.0118 53.7431 18.6517 176.8445 25 N 4.2794 8.8867 119.1277 54.5248 36.0923 175.3784 26 T 4.2012 7.6884 107.5913 62.7874 69.7384 175.2141 27 V 4.0735 7.0623 122.2137 60.2277 31.3159 173.5417 28 P 4.5109 0.0000 0.0000 64.0226 32.0992 178.0349 29 Y 5.1446 6.8307 115.9704 56.3645 38.7719 174.6122 30 Q 4.6133 7.3664 123.4393 56.2899 29.6667 175.4003 31 V 4.8671 8.9033 118.6085 59.6538 36.2887 174.1416 32 S 4.7599 8.6839 117.1281 56.5787 64.7320 172.7330 33 L 4.6144 8.3399 127.7241 53.6151 43.0153 175.1563 34 N 5.6794 8.9119 122.4295 49.8355 42.0791 174.8171 *37 S 4.1662 8.3450 120.4972 58.2932 64.0109 174.5052 38 G 3.9951 10.3565 107.9698 46.0455 0.0000 172.1624 39 Y 4.5782 6.6747 115.1135 56.0423 40.0964 172.8514 40 H 4.5207 8.8317 121.7998 56.2859 30.2735 174.7762 41 F 5.0373 7.8508 119.8311 56.6754 39.4243 173.8528 42 C 4.7369 6.8715 115.1144 56.2296 44.7375 173.4098 43 G 4.3712 8.6811 109.6055 45.6951 0.0000 172.1737 44 G 4.5295 7.9794 105.8366 46.4515 0.0000 172.6094 45 S 5.4912 8.6909 115.2266 56.3938 66.8791 173.7396 46 L 4.7800 9.1983 127.5808 54.9621 42.3775 177.1095 47 I 4.5520 8.5793 119.2706 60.9748 39.5442 174.4314 48 N 4.7691 7.5301 117.0056 52.4707 39.3248 174.5084 49 S 4.4504 8.6811 111.2800 60.3979 63.5757 174.3810 50 Q 4.5716 9.1269 121.6440 55.3955 30.8818 174.2726 51 W 5.5571 8.3620 116.1944 55.5003 33.7208 174.1860 52 V 5.0411 9.1202 123.6880 61.2767 34.3518 174.4046 53 V 4.8684 8.6438 120.2211 60.4400 33.3944 175.3198 54 S 5.0967 9.0471 118.4331 57.7269 66.0796 172.0013 55 A 4.6382 8.5036 120.5436 50.6666 20.3656 178.4754 56 A 3.8285 8.3191 124.5993 55.2938 18.4412 179.1934 57 H 4.5317 8.2744 109.4779 57.4500 28.6693 175.3625 58 C 4.7045 7.7681 117.1697 57.1311 40.5074 173.2740 59 Y 4.2338 7.5925 122.1887 58.0089 38.6797 175.2896 60 K 3.7502 7.1254 123.7128 55.8186 34.9210 174.7565 61 S 4.1543 7.9837 114.4637 58.6396 63.9952 173.8906 62 G 3.7445 8.5872 107.3436 46.0397 0.0000 173.1370 63 I 4.1427 7.5380 120.4681 60.3316 38.7829 174.4508 64 Q 4.8014 8.9635 128.8080 54.2886 31.2031 174.2562 65 V 4.3332 8.7192 127.2794 62.0320 33.5006 174.6588 66 R 4.9705 9.0356 127.1439 54.6471 32.5051 174.9854 67 L 4.7491 9.1960 124.8431 52.8046 44.6149 177.7645 *69 G 4.0741 8.2962 108.1617 45.3048 0.0000 172.8656 70 E 4.3498 8.1769 118.4984 55.7428 29.9392 174.1480 71 D 4.8813 7.9245 117.4780 55.4269 44.7665 174.4403 72 N 5.0839 9.0090 119.6009 53.1548 39.1624 176.1035 73 I 3.9150 8.5033 119.7424 61.9536 37.9452 176.1560 74 N 4.8087 8.7754 118.0318 53.0445 39.4095 174.7183 75 V 4.3437 7.3403 116.6522 60.6894 34.4130 174.9453 76 V 4.1198 8.4392 126.6057 62.5983 31.2493 175.1540 77 E 4.4390 9.8239 127.1288 55.5581 31.0807 177.2256 78 G 3.9109 8.1866 105.3592 46.4728 0.0000 173.9776 79 N 4.5585 8.8726 115.8633 52.8864 36.6663 174.3907 80 E 4.5089 7.7730 117.4874 56.3655 30.7034 176.1783 81 Q 4.5637 9.0611 121.7216 54.1423 32.2584 174.2856 82 F 5.5927 8.8190 122.6703 55.9794 41.0538 175.2363 83 I 4.6845 8.7943 124.4434 59.3321 41.0739 175.4417 84 S 4.5693 8.7591 122.5009 58.3602 64.1649 173.3653 85 A 4.4536 8.3939 125.5222 52.2110 18.2872 177.8225 86 S 4.4972 9.1381 117.7752 60.3797 64.3346 174.5751 87 K 4.6737 7.4701 116.9508 55.6325 35.7704 174.8266 88 S 5.1214 8.7004 116.6208 56.9911 66.2565 173.7594 89 I 4.4761 9.3721 126.1168 59.4196 38.8427 174.9585 90 V 4.0794 8.2923 127.2136 62.2374 32.6673 175.1381 91 H 3.8706 8.6842 127.0206 56.2441 29.8918 174.4008 92 P 4.3011 0.0000 0.0000 65.3600 31.3750 177.1540 93 S 4.6177 7.9540 111.6689 58.0481 63.0858 173.4436 94 Y 4.3352 7.8833 122.7897 57.9181 38.9605 174.9418 95 N 4.5147 8.1895 125.3007 51.4537 40.2805 175.2231 96 S 3.7659 7.9590 120.4415 60.1883 63.8201 175.3017 97 N 4.3508 8.6109 119.6120 55.7500 38.3774 176.0807 98 T 4.0218 7.6472 104.7826 60.4826 70.1319 174.8168 99 L 3.7338 7.9535 120.6980 55.3206 40.1230 173.9494 100 N 4.4118 7.7303 118.0038 54.8144 39.4183 174.6010 101 N 4.6684 8.7091 120.4570 54.3937 35.7005 175.4782 102 D 4.6872 7.9551 117.7134 52.9785 39.6846 174.5636 103 I 4.7647 7.1431 120.9271 59.3781 42.2665 172.7408 104 M 5.3925 9.1160 126.7765 54.2012 36.2878 173.2246 105 L 5.4258 9.2191 124.6234 53.2058 44.8375 175.3693 106 I 4.8990 9.1760 123.8339 59.4175 40.4313 174.3032 107 K 3.7005 8.4979 128.9796 54.5761 33.4091 175.8001 108 L 4.4086 8.2865 128.0830 54.3547 41.8789 177.2548 109 K 4.0757 8.7415 124.3104 59.0223 32.6038 177.2073 110 S 4.6973 7.7440 112.6669 55.9983 66.7804 173.1832 111 A 4.4053 8.3814 123.9975 51.7076 18.7213 177.6051 112 A 4.2246 8.8249 124.4290 52.1454 19.5213 177.6444 113 S 4.4785 9.0696 117.5508 57.5187 63.2914 174.5061 114 L 4.4898 8.5138 125.7809 54.4750 42.1931 176.3972 115 N 4.7827 8.6986 118.5725 52.4837 39.8187 174.9409 116 S 4.2801 8.7557 111.7300 60.8885 63.2334 174.8254 117 R 4.3565 8.8688 118.7454 55.8925 31.1497 176.0928 118 V 4.4412 7.8269 116.3736 61.0061 33.3171 173.6841 119 A 5.1502 8.5464 128.4391 50.3988 22.9433 175.1927 120 S 4.9730 8.7064 114.0823 57.9434 64.6909 173.1446 121 I 4.4388 8.3231 121.7239 59.0570 39.6351 175.4400 122 S 4.3564 8.3862 124.3892 58.4358 63.8567 174.0182 123 L 4.2010 8.4188 124.0992 53.5197 42.3705 175.2028 124 P 4.4981 0.0000 0.0000 63.0386 32.1286 176.3266 125 T 4.2004 8.2337 108.8256 62.2668 70.0471 174.4966 *127 S 4.6663 7.5636 114.9650 58.0378 64.0481 174.0909 128 C 4.4085 8.4138 118.0612 56.7420 40.6833 173.5559 129 A 4.4143 8.0366 125.2429 51.3594 19.7034 177.4688 130 S 4.3309 8.0838 114.4833 57.0114 64.8786 173.1880 *132 A 4.2157 8.1944 123.3002 53.4922 19.1744 177.4741 133 G 3.9481 9.1723 110.7556 45.2428 0.0000 174.1143 134 T 3.9935 7.5500 117.6249 63.7565 69.4852 173.4633 135 Q 4.7470 8.5770 125.1714 55.3446 30.0640 175.7645 136 C 5.2555 9.3505 120.4091 55.0275 46.3908 172.4133 137 L 5.2041 8.9787 122.8905 53.5632 43.8848 175.0408 138 I 5.3019 9.0822 127.4022 58.7852 40.0121 174.8655 139 S 4.9050 8.6069 119.5281 56.4395 66.4560 173.1084 140 G 3.7796 7.5919 108.6131 46.2075 0.0000 172.9701 141 W 4.5907 8.7043 117.0525 56.3180 29.3853 177.1640 142 G 4.2056 8.4134 109.5385 44.1181 0.0000 173.5824 143 N 4.0253 8.9386 118.3501 54.2133 39.0172 174.7838 144 T 5.2248 8.1917 112.7061 60.5743 69.5666 174.3707 145 K 4.6704 7.8176 121.2152 54.7318 34.9928 176.2376 146 S 4.2343 8.7506 118.8485 60.5820 63.6605 174.9586 147 S 4.4221 7.9989 116.3741 58.8821 64.3305 175.1996 148 G 3.7152 8.8642 113.7800 43.9665 0.0000 172.4942 149 T 4.5772 8.1070 111.8743 59.6171 71.9722 170.3229 150 S 4.3380 9.4192 122.8531 56.5626 65.1237 171.9236 151 Y 5.0615 8.5557 125.4154 55.7872 39.2339 174.3952 152 P 4.7180 0.0000 0.0000 62.2559 33.0084 175.9280 153 D 4.5585 8.7477 118.8103 56.5181 41.2520 177.0105 154 V 5.5309 7.4123 109.7281 58.3732 34.8164 175.5932 155 L 3.2997 8.4490 124.4861 54.9189 43.0024 175.8757 156 K 4.9556 8.1699 125.1022 54.8969 35.0810 174.6040 157 C 5.2967 8.5136 119.8175 55.0847 43.0450 173.0080 158 L 4.9103 8.6586 123.3383 53.6413 45.3891 174.8351 159 K 5.0645 9.0202 125.7088 55.6891 33.4148 176.0438 160 A 4.8009 9.2095 126.2272 49.9077 23.0855 173.4508 161 P 5.0383 0.0000 0.0000 61.6384 34.0913 175.1110 162 I 4.3290 8.3225 122.8134 61.5120 37.9881 175.8929 163 L 4.7828 8.6829 127.4454 53.3703 43.2269 177.0218 164 S 4.3183 8.4443 114.9858 58.0454 63.9338 174.8221 165 D 4.3778 8.7407 120.9499 57.8209 40.8775 178.9205 166 S 4.1479 8.0156 115.2239 61.6817 62.9021 176.6672 167 S 4.1708 8.1057 117.7882 61.3714 62.5162 175.8219 168 C 4.2886 8.3977 121.3680 59.8708 41.5969 175.9852 169 K 3.9745 8.3743 119.9534 59.4321 31.3281 179.5681 170 S 4.1964 7.8791 114.8080 61.2056 62.7981 176.1068 171 A 4.0211 7.8259 123.0404 53.8137 19.7023 177.3662 172 Y 4.8745 7.9101 114.1036 55.3400 38.4220 172.9419 173 P 4.6669 0.0000 0.0000 63.4705 32.2399 178.1764 174 G 4.0028 9.0167 109.3978 45.9220 0.0000 173.6470 175 Q 4.4732 8.1375 116.7486 55.5169 29.9061 175.3021 176 I 4.4211 7.8201 119.9277 59.9251 38.3083 175.5380 177 T 4.5074 8.2382 116.2109 59.8307 70.6260 175.4429 178 S 4.3713 8.5199 114.9278 60.2227 63.1884 174.3695 179 N 4.9383 7.9385 117.6222 53.3793 38.5329 173.8656 180 M 5.5762 7.9328 117.0092 53.6721 36.0458 174.5782 181 F 5.1260 8.7174 115.1269 55.7238 42.1921 172.7058 182 C 5.4208 8.9515 116.3229 56.0596 41.9944 172.6186 183 A 4.9818 9.3162 122.3160 51.1852 22.3882 174.6975 184 G 4.1391 7.3194 106.5210 44.4921 0.0000 173.8157 184A Y 4.6514 8.4729 120.4236 56.2606 41.2889 176.1462 185 L 4.1752 8.6692 125.4493 57.0628 42.0865 178.4641 186 E 4.0416 8.2290 114.8277 56.7486 30.0416 177.2895 187 G 3.8932 7.5402 105.4325 45.6597 0.0000 173.4446 188 G 3.9556 9.8764 106.9228 44.7049 0.0000 173.4144 188A K 4.9565 7.4065 117.5121 55.4045 35.4555 174.9664 189 D 4.7533 8.8546 123.7396 53.4262 45.4864 174.7056 190 S 4.8570 8.1199 115.0533 58.3667 64.8494 171.8966 191 C 4.7345 9.2698 118.6782 55.5135 42.3457 172.1010 192 Q 4.3228 8.6004 120.8269 57.8569 28.8669 177.2998 193 G 4.4974 9.3012 113.3539 45.6827 0.0000 173.8518 194 D 4.6982 8.4955 118.6992 55.1319 41.7502 176.6723 195 S 4.3933 8.0670 115.3958 60.5092 63.4617 175.5275 196 G 4.1138 8.9225 112.8348 46.4053 0.0000 173.7222 197 G 4.4726 7.8202 107.5738 44.9051 0.0000 171.0955 198 P 5.1155 0.0000 0.0000 62.2271 33.4412 175.6264 199 V 4.6113 8.6078 121.9840 61.4609 33.8816 174.0028 200 V 4.7901 8.6898 128.8016 61.2350 34.1197 173.7044 201 C 5.0956 8.8929 124.8099 55.5331 43.8598 174.6213 202 S 3.7056 9.6981 121.0007 59.7407 60.0187 173.2516 203 G 3.9260 8.3638 103.9566 45.7727 0.0000 173.6856 204 K 4.7004 7.6314 117.8692 52.9858 35.3232 175.5215 *209 L 4.3486 8.2696 122.6100 55.4977 42.0947 175.8268 210 Q 4.5715 8.9890 126.0029 56.3876 31.1187 175.8484 211 G 5.3057 8.0457 104.5486 45.7089 0.0000 171.4016 212 I 5.2244 8.2041 120.0168 58.8130 40.8756 175.2708 213 V 3.6471 8.9516 127.4803 64.0055 31.7834 174.1164 214 S 4.8745 8.4793 120.8143 58.5803 64.3840 174.1808 215 W 5.0337 7.5680 114.0872 55.7350 32.2664 172.2027 216 G 3.8345 7.9887 105.3420 46.6714 0.0000 172.5526 217 S 4.6816 8.2862 114.4585 56.4445 63.4645 172.5984 *219 G 4.2627 8.0566 118.2228 45.5904 0.0000 170.7780 220 C 4.9957 8.0787 115.6905 56.3181 43.3654 173.8894 221 A 4.2141 9.2776 125.8264 53.2487 16.5029 177.1753 221A Q 4.5149 7.5199 119.8242 56.9849 29.7393 176.9078 222 K 4.1760 8.4197 122.3542 56.1521 32.2157 176.9551 223 N 4.3560 9.0714 118.7822 53.4651 36.7433 175.5777 224 K 4.2787 7.5640 118.3059 53.7848 32.5690 174.0067 225 P 4.6711 0.0000 0.0000 61.6968 33.2714 176.7626 226 G 3.6786 8.4889 106.2392 46.1600 0.0000 172.7991 227 V 4.5520 7.6023 121.8594 60.7197 34.1882 174.1085 228 Y 4.8947 8.1571 123.9637 56.0018 42.3065 174.9046 229 T 4.2990 8.5944 120.1892 63.6358 70.0292 174.2026 230 K 5.0354 9.3099 128.1988 55.4553 31.6150 177.3377 231 V 3.9626 8.9832 127.0673 65.7532 31.4031 174.9861 232 C 4.3789 8.2947 112.7370 58.1281 41.5717 174.8358 233 N 4.2343 8.1232 117.4978 54.5897 38.4614 174.9923 234 Y 4.7921 7.9664 117.5354 57.4683 39.3621 177.6350 235 V 3.7149 7.9773 121.4953 66.2967 31.5312 178.1021 236 S 4.1468 8.1011 114.4875 61.1627 62.6726 176.2151 237 W 4.1460 8.3374 130.7003 60.4624 30.4726 177.8506 238 I 3.2531 8.4155 120.0945 64.2527 36.5844 178.5512 239 K 3.7569 8.0504 119.1771 59.5934 31.6671 179.4961 240 Q 3.8915 7.8940 117.1893 59.1861 28.5903 178.7427 241 T 3.7092 7.5214 116.8916 66.4762 68.2386 177.0219 242 I 2.6588 7.2806 121.6257 63.7955 36.7190 178.3047 243 A 4.0601 7.6354 120.8308 53.9152 18.2483 178.6711 244 S 4.6126 7.3168 110.3981 58.3250 63.6281 174.0604 245 N 4.6803 7.8997 125.4036 53.8051 39.2086 173.9980 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 16 I 7.88 4.25 1.80 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 1.38 0.54 0.85 0.00 0.00 17 V 8.75 4.36 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 0.97 0.00 0.00 0.89 0.00 0.00 18 G 8.66 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 19 G 7.64 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 0.00 0.00 0.00 0.00 20 Y 7.75 4.98 0.00 2.94 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 21 T 8.56 4.27 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 1.26 0.00 0.00 22 C 8.80 4.13 0.00 2.76 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 23 G 7.86 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 24 A 8.52 4.30 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 25 N 8.89 4.28 0.00 2.90 2.93 0.00 0.00 7.13 7.54 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 26 T 7.69 4.20 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 1.24 0.00 0.00 27 V 7.06 4.07 1.74 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 0.24 0.00 0.00 0.76 0.00 0.00 28 P 0.00 4.51 0.00 2.39 2.29 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.99 0.00 29 Y 6.83 5.14 0.00 3.26 3.39 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 30 Q 7.37 4.61 0.00 1.77 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 1.96 2.50 0.00 31 V 8.90 4.87 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 0.81 0.00 0.00 0.97 0.00 0.00 32 S 8.68 4.76 0.00 3.12 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 33 L 8.34 4.61 0.00 0.38 0.96 0.76 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.91 5.68 0.00 2.40 2.44 0.00 0.00 6.78 7.16 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 *37 S 8.35 4.17 0.00 3.80 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 38 G 10.36 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 6.67 4.58 0.00 3.03 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 40 H 8.83 4.52 0.00 2.84 3.14 0.00 5.86 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 41 F 7.85 5.04 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 42 C 6.87 4.74 0.00 2.18 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.68 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 0.00 0.00 0.00 44 G 7.98 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 0.00 0.00 0.00 0.00 45 S 8.69 5.49 0.00 3.83 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 46 L 9.20 4.78 0.00 1.87 1.68 1.06 1.14 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 47 I 8.58 4.55 1.90 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 1.55 0.94 0.96 0.00 0.00 48 N 7.53 4.77 0.00 3.00 3.01 0.00 0.00 6.03 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 49 S 8.68 4.45 0.00 4.21 4.19 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 50 Q 9.13 4.57 0.00 2.11 1.91 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 2.07 2.20 0.00 51 W 8.36 5.56 0.00 3.43 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 52 V 9.12 5.04 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 0.97 0.00 0.00 0.98 0.00 0.00 53 V 8.64 4.87 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.08 0.00 0.00 54 S 9.05 5.10 0.00 3.84 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 55 A 8.50 4.64 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 56 A 8.32 3.83 0.38 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 57 H 8.27 4.53 0.00 3.38 3.57 0.00 5.55 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.77 4.70 0.00 3.21 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 59 Y 7.59 4.23 0.00 2.93 2.92 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 60 K 7.13 3.75 0.00 1.51 1.38 0.00 0.61 0.00 0.00 1.24 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.76 0.99 7.81 61 S 7.98 4.15 0.00 3.92 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 62 G 8.59 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 0.00 0.00 0.00 63 I 7.54 4.14 1.84 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 1.41 0.94 0.90 0.00 0.00 64 Q 8.96 4.80 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 65 V 8.72 4.33 2.15 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 0.96 0.00 0.00 0.88 0.00 0.00 66 R 9.04 4.97 0.00 1.55 1.67 0.00 2.62 0.00 0.00 2.42 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.12 0.00 67 L 9.20 4.75 0.00 1.64 1.63 1.00 0.74 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 *69 G 8.30 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 0.00 0.00 0.00 70 E 8.18 4.35 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.04 0.00 71 D 7.92 4.88 0.00 2.78 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 72 N 9.01 5.08 0.00 2.84 2.84 0.00 0.00 7.18 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 73 I 8.50 3.91 1.44 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 1.16 0.52 -0.46 0.00 0.00 74 N 8.78 4.81 0.00 2.79 2.87 0.00 0.00 6.62 7.62 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 75 V 7.34 4.34 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 0.78 0.00 0.00 0.95 0.00 0.00 76 V 8.44 4.12 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 0.85 0.00 0.00 0.95 0.00 0.00 77 E 9.82 4.44 0.00 1.94 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 2.26 2.43 0.00 78 G 8.19 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 0.00 0.00 0.00 79 N 8.87 4.56 0.00 2.97 3.06 0.00 0.00 6.92 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 80 E 7.77 4.51 0.00 1.60 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 2.49 2.48 0.00 81 Q 9.06 4.56 0.00 2.00 1.98 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 2.29 0.00 82 F 8.82 5.59 0.00 2.76 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 83 I 8.79 4.68 1.87 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 1.24 0.83 0.88 0.00 0.00 84 S 8.76 4.57 0.00 3.75 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 85 A 8.39 4.45 1.17 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 0.00 0.00 86 S 9.14 4.50 0.00 3.76 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 87 K 7.47 4.67 0.00 1.84 1.89 0.00 1.54 0.00 0.00 1.91 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.40 7.81 88 S 8.70 5.12 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 89 I 9.37 4.48 2.07 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.98 1.08 0.00 0.00 90 V 8.29 4.08 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 0.63 0.00 0.00 0.77 0.00 0.00 91 H 8.68 3.87 0.00 2.98 3.09 0.00 5.65 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.30 0.00 2.09 2.15 0.00 3.29 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 2.15 2.24 0.00 93 S 7.95 4.62 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 94 Y 7.88 4.34 0.00 2.94 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 95 N 8.19 4.51 0.00 2.60 2.43 0.00 0.00 6.65 7.13 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 96 S 7.96 3.77 0.00 3.93 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 97 N 8.61 4.35 0.00 2.64 2.78 0.00 0.00 6.85 7.37 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 98 T 7.65 4.02 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 1.09 0.00 0.00 99 L 7.95 3.73 0.00 1.48 1.86 0.99 1.27 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 0.00 100 N 7.73 4.41 0.00 2.82 2.65 0.00 0.00 7.25 6.15 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 0.00 101 N 8.71 4.67 0.00 2.93 2.64 0.00 0.00 7.23 8.06 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 0.00 102 D 7.96 4.69 0.00 3.05 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.14 4.76 1.45 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 1.30 1.12 0.10 0.00 0.00 104 M 9.12 5.39 0.00 2.26 1.83 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 2.74 2.63 0.00 105 L 9.22 5.43 0.00 1.84 1.95 0.35 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.18 4.90 1.91 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 1.17 0.96 0.87 0.00 0.00 107 K 8.50 3.70 0.00 0.79 1.09 0.00 1.17 0.00 0.00 1.33 0.00 0.00 2.66 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.74 0.21 7.81 108 L 8.29 4.41 0.00 1.43 1.58 0.96 0.85 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 0.00 109 K 8.74 4.08 0.00 1.84 1.79 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.43 7.81 110 S 7.74 4.70 0.00 3.82 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 0.00 111 A 8.38 4.41 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 0.00 112 A 8.82 4.22 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 0.00 113 S 9.07 4.48 0.00 3.75 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 0.00 114 L 8.51 4.49 0.00 1.66 1.62 0.96 1.13 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 0.00 115 N 8.70 4.78 0.00 2.90 2.93 0.00 0.00 6.63 8.03 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 0.00 116 S 8.76 4.28 0.00 4.02 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.87 4.36 0.00 1.88 2.02 0.00 3.27 0.00 0.00 3.16 7.34 0.00 0.00 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0.00 1.20 0.00 0.00 *127 S 7.56 4.67 0.00 4.00 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 0.00 128 C 8.41 4.41 0.00 2.94 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.04 4.41 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 0.00 130 S 8.08 4.33 0.00 3.98 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 *132 A 8.19 4.22 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 0.00 133 G 9.17 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 0.00 134 T 7.55 3.99 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 1.14 0.00 0.00 135 Q 8.58 4.75 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 136 C 9.35 5.26 0.00 2.80 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 0.00 137 L 8.98 5.20 0.00 1.75 1.57 0.95 1.16 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 0.00 138 I 9.08 5.30 1.88 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 0.80 1.63 0.98 0.00 0.00 139 S 8.61 4.91 0.00 3.50 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 0.00 140 G 7.59 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 0.00 0.00 0.00 141 W 8.70 4.59 0.00 3.09 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 0.00 142 G 8.41 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 0.00 0.00 0.00 0.00 143 N 8.94 4.03 0.00 2.22 2.62 0.00 0.00 7.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 T 8.19 5.22 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 1.26 0.00 0.00 145 K 7.82 4.67 0.00 1.67 1.69 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.32 7.81 146 S 8.75 4.23 0.00 4.02 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 0.00 147 S 8.00 4.42 0.00 3.60 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 0.00 148 G 8.86 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.11 4.58 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 0.00 150 S 9.42 4.34 0.00 3.77 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 0.00 151 Y 8.56 5.06 0.00 2.95 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 0.00 152 P 0.00 4.72 0.00 2.46 2.11 0.00 4.18 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.06 0.00 153 D 8.75 4.56 0.00 2.80 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.41 5.53 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.97 0.00 0.00 155 L 8.45 3.30 0.00 1.31 1.27 -0.81 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.17 4.96 0.00 1.69 1.51 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.48 7.81 157 C 8.51 5.30 0.00 1.69 2.15 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 0.00 158 L 8.66 4.91 0.00 1.65 1.44 0.99 0.84 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 0.00 159 K 9.02 5.06 0.00 1.83 1.82 0.00 1.86 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.65 7.81 160 A 9.21 4.80 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 0.00 161 P 0.00 5.04 0.00 2.01 2.07 0.00 3.10 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 1.83 1.72 0.00 162 I 8.32 4.33 1.74 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.40 0.75 0.00 0.00 163 L 8.68 4.78 0.00 1.56 1.60 0.93 1.20 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 0.00 164 S 8.44 4.32 0.00 4.00 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 0.00 165 D 8.74 4.38 0.00 2.84 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 0.00 166 S 8.02 4.15 0.00 3.91 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 0.00 167 S 8.11 4.17 0.00 4.03 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 0.00 168 C 8.40 4.29 0.00 3.18 3.32 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 0.00 169 K 8.37 3.97 0.00 1.94 1.90 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.54 1.65 7.81 170 S 7.88 4.20 0.00 3.96 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 0.00 171 A 7.83 4.02 1.04 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 0.00 0.00 172 Y 7.91 4.87 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 0.00 173 P 0.00 4.67 0.00 2.22 2.10 0.00 3.55 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 174 G 9.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 8.14 4.47 0.00 2.44 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.59 0.00 176 I 7.82 4.42 1.99 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 1.87 0.97 1.00 0.00 0.00 177 T 8.24 4.51 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 1.25 0.00 0.00 178 S 8.52 4.37 0.00 4.01 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 0.00 179 N 7.94 4.94 0.00 3.13 3.11 0.00 0.00 6.63 7.54 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 0.00 180 M 7.93 5.58 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.61 0.00 181 F 8.72 5.13 0.00 3.09 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 0.00 182 C 8.95 5.42 0.00 2.99 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 0.00 183 A 9.32 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 G 7.32 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 0.00 0.00 0.00 0.00 184A Y 8.47 4.65 0.00 3.06 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 0.00 185 L 8.67 4.18 0.00 1.74 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.23 4.04 0.00 2.10 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 0.00 2.31 2.27 0.00 187 G 7.54 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 0.00 188 G 9.88 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 0.00 0.00 0.00 188A K 7.41 4.96 0.00 1.43 1.67 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.72 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.20 7.81 189 D 8.85 4.75 0.00 2.85 2.51 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 0.00 190 S 8.12 4.86 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 0.00 191 C 9.27 4.73 0.00 2.93 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 0.00 192 Q 8.60 4.32 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.18 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 193 G 9.30 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 D 8.50 4.70 0.00 2.95 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 S 8.07 4.39 0.00 3.98 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 0.00 196 G 8.92 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 0.00 0.00 0.00 197 G 7.82 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 0.00 198 P 0.00 5.12 0.00 2.35 2.38 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 199 V 8.61 4.61 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 0.93 0.00 0.00 0.66 0.00 0.00 200 V 8.69 4.79 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 0.79 0.00 0.00 0.69 0.00 0.00 201 C 8.89 5.10 0.00 2.78 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 S 9.70 3.71 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 0.00 203 G 8.36 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 0.00 204 K 7.63 4.70 0.00 1.71 1.64 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.40 7.81 *209 L 8.27 4.35 0.00 1.52 1.65 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.99 4.57 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.41 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 211 G 8.05 5.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 I 8.20 5.22 1.91 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 1.29 1.00 0.96 0.00 0.00 213 V 8.95 3.65 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.22 0.00 0.00 214 S 8.48 4.87 0.00 3.88 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 0.00 215 W 7.57 5.03 0.00 3.34 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 G 7.99 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 8.29 4.68 0.00 4.21 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 *219 G 8.06 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 0.00 220 C 8.08 5.00 0.00 2.95 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 0.00 221 A 9.28 4.21 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 221A Q 7.52 4.51 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 222 K 8.42 4.18 0.00 1.77 1.60 0.00 1.95 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.04 7.81 223 N 9.07 4.36 0.00 2.80 2.88 0.00 0.00 6.75 7.15 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 0.00 224 K 7.56 4.28 0.00 1.66 1.77 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.25 1.50 7.81 225 P 0.00 4.67 0.00 2.14 2.11 0.00 3.65 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 226 G 8.49 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 0.00 0.00 0.00 227 V 7.60 4.55 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 0.00 0.00 0.35 0.00 0.00 -0.68 0.00 0.00 228 Y 8.16 4.89 0.00 1.43 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 0.00 0.00 0.00 229 T 8.59 4.30 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 0.00 230 K 9.31 5.04 0.00 2.13 1.93 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.65 7.81 231 V 8.98 3.96 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 1.23 0.00 0.00 1.11 0.00 0.00 232 C 8.29 4.38 0.00 3.17 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 0.00 233 N 8.12 4.23 0.00 2.41 2.40 0.00 0.00 6.79 7.51 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 0.00 234 Y 7.97 4.79 0.00 3.21 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 0.00 235 V 7.98 3.71 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 1.09 0.00 0.00 1.03 0.00 0.00 236 S 8.10 4.15 0.00 3.97 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 0.00 237 W 8.34 4.15 0.00 3.52 3.62 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 0.00 0.00 0.00 238 I 8.42 3.25 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.97 0.78 0.00 0.00 239 K 8.05 3.76 0.00 1.92 1.77 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.58 7.81 240 Q 7.89 3.89 0.00 1.87 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 241 T 7.52 3.71 3.48 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 0.78 0.00 0.00 242 I 7.28 2.66 1.37 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.58 0.34 0.00 0.00 243 A 7.64 4.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 S 7.32 4.61 0.00 3.99 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 0.00 245 N 7.90 4.68 0.00 3.04 3.02 0.00 0.00 6.75 8.87 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 * Residues marked with a * may have inaccurate shift predictions.