NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.0987 8.0244 114.2673 60.6027 39.1034 175.0292 6 T 3.9893 7.9350 114.4232 59.6859 69.2837 173.2389 7 Q 3.9387 8.9521 125.3512 59.7510 28.6690 178.9991 8 S 3.9920 7.6185 114.2897 61.2083 62.5192 175.6444 9 Q 3.9184 8.0965 121.7109 59.4189 28.7224 177.9212 10 E 3.9053 8.3478 120.1606 59.7185 29.6280 179.0092 11 T 3.8771 7.9459 115.3951 66.5529 68.4047 176.6561 12 A 4.0447 7.9833 122.6485 55.0078 18.3111 179.8753 13 I 3.6418 7.7325 118.3142 64.7103 37.2864 178.6271 14 L 4.1427 8.0158 119.7497 57.8108 41.3927 179.3743 15 E 3.9719 8.3464 119.3718 59.3441 29.6085 179.0874 16 S 4.1548 7.9863 115.1645 61.2742 62.9321 176.2567 17 F 4.0428 8.6918 123.8692 61.4539 39.2702 177.2464 18 L 3.9807 8.2705 118.5137 57.7394 41.1209 179.4013 19 E 3.9395 7.6742 117.4709 59.3651 29.7959 179.0689 20 L 3.9561 7.8187 119.0606 57.5711 41.3853 179.7004 21 V 3.4398 7.2399 117.4049 65.4734 31.5367 177.3409 22 K 4.2959 7.5812 114.7786 55.5781 32.3752 176.2810 23 S 4.6738 6.7328 113.7134 55.2868 64.6943 171.7092 24 P 4.5827 0.0000 0.0000 61.9966 32.0718 175.5802 25 Y 3.9381 8.4538 116.3371 59.3366 38.1663 176.4509 26 G 3.2370 8.5098 108.9899 46.8039 0.0000 175.3163 27 N 4.4300 7.2855 119.3154 51.8379 35.9134 174.8273 28 F 4.2758 7.4557 123.1315 59.9721 39.4890 176.7480 29 A 4.0089 7.9892 119.9786 55.5410 18.2660 179.8278 30 S 4.1361 8.4126 113.3529 61.3169 62.7205 177.1344 31 I 3.7008 7.7115 123.1167 64.2066 36.8705 178.4975 32 G 3.5073 8.2819 106.8596 47.5539 0.0000 175.3612 33 K 3.8582 7.8667 122.1558 59.3036 32.1218 178.5246 34 L 3.9989 8.0618 120.6261 58.1144 41.8733 178.7899 35 S 3.9472 8.1709 113.4503 61.7612 62.0822 175.8371 36 H 4.1798 7.8830 117.7013 58.6900 28.4627 177.3044 37 V 3.9191 7.2381 117.3673 64.9465 31.6807 177.7568 38 L 4.3176 8.0581 118.4353 56.3612 42.6115 177.3460 39 N 4.5770 7.9162 118.5037 51.8202 37.2512 175.0797 40 D 4.6326 7.8711 123.8759 51.8231 42.2727 175.1684 41 P 3.9835 0.0000 0.0000 65.5948 31.0863 178.4462 42 D 4.3374 7.8859 115.8781 57.6783 41.1810 178.4843 43 T 3.8247 7.9162 115.6199 66.6541 68.4581 176.4001 44 L 3.7566 7.8049 120.9961 57.8170 41.4316 179.4634 45 Q 4.1566 8.1577 119.4033 59.1806 28.9351 178.4499 46 K 4.0233 7.9619 119.3727 59.1608 32.0189 179.6252 47 V 3.5741 7.7797 118.7909 65.9629 31.5998 178.2565 48 V 3.5252 8.0879 118.0282 65.7824 31.0513 177.9056 49 A 3.9298 7.9065 119.6515 55.1111 18.5839 179.4176 50 V 3.7149 7.9558 116.8743 66.3430 31.7488 178.3294 51 L 4.1842 8.1698 118.4897 57.6124 41.0033 178.9290 52 S 4.8013 8.0698 113.3933 59.6085 62.7875 175.3894 53 L 4.4119 7.7263 121.2346 54.9514 41.8717 176.4423 54 T 4.7927 7.0581 108.7756 58.3772 71.9256 173.2501 55 P 4.2539 0.0000 0.0000 66.3411 31.3093 178.5195 56 Q 4.0106 8.1175 119.0853 58.5608 29.0651 178.3128 57 G 4.2462 8.5707 108.3568 47.3721 0.0000 175.8524 58 K 4.2855 8.3169 122.2152 59.7344 32.4617 178.9116 59 Q 4.7549 8.4634 121.8320 58.4505 28.9397 178.0733 60 A 3.7732 7.8928 121.5602 55.0538 18.1073 179.6129 61 F 4.2008 7.9396 115.2281 59.7570 39.3051 176.9287 62 E 4.3247 7.9363 116.4322 57.4664 29.8443 177.4076 63 D 4.4115 8.0427 118.4376 53.1626 43.0579 176.4332 64 R 2.5100 7.5707 117.8974 56.0948 27.7650 172.8996 65 P 4.4476 0.0000 0.0000 62.5086 32.9945 176.8163 *67 L 4.2858 8.3905 117.0422 53.8614 43.2329 178.4069 68 G 3.8706 8.0953 104.0885 43.9971 0.0000 172.1794 69 K 4.0744 8.5039 119.5000 56.4982 32.5939 176.4065 70 I 4.4856 8.3158 126.1868 59.5186 39.7346 175.7530 71 D 4.6587 8.2961 124.8492 52.1269 40.5839 176.3221 72 L 3.8243 8.1604 126.0195 57.6417 41.6756 178.7372 73 E 3.8863 8.0478 115.1667 59.4454 29.5405 178.6034 74 Q 4.0497 8.0644 119.7933 59.1247 29.4767 178.0090 75 L 3.8940 7.8368 119.8368 57.7428 41.3558 178.3492 76 H 4.3460 8.0842 116.1573 57.4066 29.9258 175.3499 77 Q 4.4387 7.8174 118.0169 56.3752 28.9756 175.6172 78 L 4.4027 7.5037 118.4290 52.7280 43.0309 174.8221 79 P 3.8684 0.0000 0.0000 62.6130 31.4871 177.3283 80 N 3.1400 8.0248 120.4772 55.7882 38.8294 174.7818 81 Y 4.5830 6.6035 114.2116 56.9920 38.9927 175.5498 82 T 4.8864 7.4623 111.2955 60.9035 70.1314 174.7773 83 L 4.2355 8.8539 125.0583 58.4736 42.6439 178.5051 84 G 3.9901 8.8960 108.1758 49.1411 0.0000 175.6315 85 Y 3.9828 7.8492 118.4269 58.0639 38.1333 176.8253 *87 Y 4.5673 8.0781 120.1330 57.1485 40.5310 176.8809 88 A 3.5004 7.8027 120.8905 55.0563 18.8366 178.1684 89 D 4.1920 8.0571 115.7858 57.6873 41.4543 178.3009 90 H 3.9988 7.6498 115.3302 56.7527 29.4587 176.5292 *92 I 3.9606 7.8151 113.5917 60.3231 39.1208 177.6873 93 R 3.8176 7.8577 120.1950 58.4398 29.9580 176.5984 94 N 4.6825 7.7246 112.5964 51.9945 38.7228 174.5736 95 Q 3.3324 7.3592 115.7410 56.8919 27.0263 173.6870 96 L 4.6189 7.6591 115.1093 53.3172 43.8110 176.1202 97 T 4.4764 8.0985 116.7309 59.1759 68.8955 172.6017 98 P 4.4382 0.0000 0.0000 62.0091 31.7966 174.3402 99 P 4.3812 0.0000 0.0000 62.0004 31.8141 174.4982 100 P 4.3485 0.0000 0.0000 62.5245 31.8291 177.1320 101 V 3.7789 8.1361 120.1247 63.2337 29.8100 174.7796 102 N 4.8756 8.2498 124.0287 52.5487 40.1749 174.7116 103 E 4.7485 8.3994 118.6754 56.3313 32.7059 176.5130 104 N 4.8327 9.0013 119.3204 52.3589 36.7280 175.4999 105 V 4.6902 7.2898 113.6260 61.2467 33.3174 177.0942 106 N 4.8162 8.4768 114.1681 53.9652 38.5553 174.7948 107 H 4.8043 7.9254 117.1984 53.7323 33.4119 171.1326 108 P 4.7739 0.0000 0.0000 66.2740 31.4401 179.4977 109 F 4.7083 8.3691 113.0835 58.5613 38.7483 176.8293 *111 F 4.7931 8.1836 124.9795 58.2849 41.2118 176.6064 112 L 4.0325 8.8500 121.9514 58.2603 41.8146 178.9698 113 A 3.9576 8.1471 120.2254 55.0506 18.3852 179.4569 114 A 3.9243 7.9257 118.8371 55.5920 18.4280 179.1982 115 H 3.9670 8.4203 117.0034 59.4190 29.6556 177.5616 116 L 4.0672 7.7577 119.6763 57.3553 41.4214 179.5172 117 G 3.6511 8.1093 106.0832 47.7873 0.0000 175.6049 118 E 4.1451 8.1726 118.9305 57.8373 30.0006 177.9349 119 T 4.3936 7.4364 109.8655 61.6988 69.2504 175.5146 120 H 4.2441 7.6862 124.0253 59.3550 29.8343 176.7820 121 D 4.5084 8.1860 119.6153 57.1179 40.6110 178.7350 122 I 3.6552 7.6070 120.3157 64.0593 37.0539 178.2060 123 W 3.8139 8.5195 119.9861 59.6983 28.7232 178.1779 124 H 3.9607 7.9169 115.9780 58.8561 28.2478 177.8989 125 V 3.4811 7.4347 119.2379 66.1450 31.2374 178.2665 126 V 3.5174 7.5490 116.8258 66.1231 31.4055 177.4912 127 T 3.7962 7.7691 111.6621 62.4162 67.1369 174.6995 128 G 3.8071 7.4738 107.6384 46.7124 0.0000 172.8011 129 C 4.5042 7.7682 117.3915 57.8319 29.3358 173.9866 130 D 4.6400 8.5161 124.0912 54.8241 41.1271 176.7684 131 T 4.3779 8.1918 115.4158 63.9694 69.0344 175.5563 132 D 4.6139 7.6196 123.0095 52.1623 42.0024 177.0350 133 K 3.5026 8.2433 118.2803 59.1066 31.9300 177.7457 134 P 4.4638 0.0000 0.0000 65.8681 31.1651 178.6181 135 G 3.9386 8.8269 107.3297 47.1377 0.0000 175.6551 136 E 4.2234 8.4087 120.9760 59.2199 29.4344 179.5314 137 V 4.0171 8.0012 119.8215 65.2439 31.6083 177.8937 138 K 4.1681 8.3397 119.5095 59.7321 32.0354 178.5406 139 L 4.0637 8.1561 120.4548 58.1851 41.9921 178.7504 140 E 4.3484 8.6346 118.5554 59.4478 29.4164 179.1667 141 A 4.3473 8.6211 121.1772 54.9416 18.5473 179.4116 142 F 4.2929 8.3241 120.6031 61.2671 39.4069 176.7574 143 Y 4.2106 8.4978 116.6892 61.5724 37.3246 178.9234 144 T 4.1060 8.1486 115.0746 66.9201 68.7176 176.1802 145 A 4.1394 8.1860 121.3097 54.7070 18.4209 178.8286 146 Q 4.3566 7.6786 113.5402 56.1887 29.4611 176.3982 147 L 4.8362 7.8056 120.2732 54.1237 42.5044 176.1444 148 I 4.0522 8.0499 119.2814 61.7289 37.6593 174.7453 149 P 4.8489 0.0000 0.0000 62.0324 31.3682 175.2457 150 D 4.5541 8.2586 117.6991 55.7015 42.4205 176.0181 151 R 4.5108 8.2904 121.0756 56.7377 31.9399 178.2350 152 L 3.7732 7.9663 119.9312 58.4299 42.0239 178.9835 153 F 4.2275 8.2243 117.3395 60.3285 38.7874 177.5065 154 L 4.0135 8.0582 119.4607 58.2022 42.0474 178.7943 155 A 4.1396 7.9864 120.0715 54.8116 18.2947 179.6225 156 L 4.0152 7.9703 118.0611 57.6899 41.6707 179.4743 157 L 4.0321 8.1778 118.8448 57.6773 41.5501 179.2148 158 A 4.0874 8.0520 120.9270 55.1933 18.3348 179.8153 159 K 3.7747 8.3321 117.2303 60.3181 32.5681 179.1212 160 N 4.3190 8.1116 117.5494 55.7853 38.3816 177.4564 161 L 4.0856 8.1012 120.7434 57.5140 41.5257 179.1843 162 L 3.9660 7.9902 119.5988 57.9443 42.1465 178.4537 163 K 4.1743 8.4773 118.8847 59.9263 32.4124 178.5628 164 T 4.1519 8.1110 115.6712 66.5147 68.1487 176.7091 165 A 3.8669 7.6203 116.9931 53.6617 18.1020 177.7679 *167 Y 4.7693 7.7648 117.9823 59.0155 40.4473 175.5627 168 E 5.0225 8.4013 119.3109 53.1135 30.7955 176.9883 169 V 3.6984 7.9683 120.9899 64.9357 31.1070 177.3124 170 E 4.0461 8.2817 117.3305 58.5437 29.2672 177.8341 171 L 4.4583 8.1912 119.3909 54.7866 41.9667 177.5230 172 C 3.8867 8.1828 121.0718 62.8715 31.4133 175.1687 173 E 3.9756 8.2573 119.0483 59.9617 29.1328 179.4711 174 Q 4.0683 8.0592 117.1134 58.8887 28.7407 178.9787 175 I 3.7585 8.0354 121.0513 64.5362 37.1602 178.5623 176 L 4.0678 8.1399 119.8004 57.7319 41.3325 179.3311 177 D 4.4916 8.4376 119.3078 57.1483 40.6394 179.0473 178 G 3.6112 8.1741 106.3353 47.6022 0.0000 175.3836 179 L 4.0673 8.1469 123.2726 58.2892 41.9106 179.0530 180 T 4.0181 7.9721 114.2408 67.0427 68.5220 176.2638 181 Q 4.3325 8.2783 118.7068 58.9718 28.9078 178.8010 182 G 3.9444 8.6664 107.1970 46.9049 0.0000 174.0448 183 W 4.9451 8.4655 131.7242 57.4552 26.2268 176.4040 *186 G 2.8926 7.6733 109.3880 45.0592 0.0000 172.8363 187 K 3.7411 7.3202 118.3731 58.7477 32.2087 178.4077 188 R 3.9238 7.6719 117.6643 58.5314 30.4065 176.4332 189 A 4.6430 7.3978 117.7596 51.0238 19.2315 177.5407 190 K 4.2718 8.6050 119.6616 55.1252 33.3811 175.5154 191 P 4.5550 0.0000 0.0000 63.1354 31.0797 176.9624 192 L 4.1523 9.0424 123.8373 55.6792 42.3183 176.9064 193 F 4.5769 8.3444 121.1531 59.7188 39.7290 174.6786 194 G 3.4168 7.9510 115.9035 45.0451 0.0000 173.9534 195 I 3.2039 6.5253 120.1683 61.4968 37.2695 176.4058 196 E 4.1378 7.9102 124.7418 54.6140 28.3517 176.8996 197 W 3.9385 7.9482 124.7965 59.2149 29.4489 177.9854 198 N 3.3284 7.8175 112.5633 53.5497 36.6293 175.2174 199 K 4.4175 7.2559 117.3982 56.3952 32.8278 176.2773 200 L 4.7679 7.5305 117.5669 54.0084 43.0346 178.2269 201 W 4.8602 8.1300 121.5120 60.1725 28.9901 177.2992 202 E 4.5518 8.2816 114.1733 56.7462 29.5551 176.2755 203 T 4.3455 8.0412 117.9314 62.0679 69.6049 172.5842 204 P 4.9647 0.0000 0.0000 62.3234 32.6089 176.8456 205 L 4.0218 8.9320 125.4175 58.6999 42.0994 179.0844 206 E 4.2897 8.2130 118.9800 58.9598 29.2938 179.2541 207 E 3.9700 8.0910 118.0340 59.1773 29.7722 178.8509 208 L 3.9600 8.0641 120.4197 58.3449 41.9672 179.1015 209 Q 4.0482 8.5863 118.4239 59.2100 28.6039 178.8990 210 T 3.9822 7.8645 117.1215 66.5954 68.3090 176.8381 211 S 4.2745 8.2086 114.7849 60.3950 63.3325 175.3634 212 L 4.3639 7.6282 121.1209 53.4777 41.4190 176.0488 213 N 4.3125 8.0045 116.0461 54.4870 36.5181 173.8824 214 I 4.5548 8.1803 119.1417 59.8075 38.4898 176.6911 215 V 4.2182 8.0611 126.5260 60.1195 30.9317 173.4385 216 P 4.4444 0.0000 0.0000 62.4644 31.2816 177.0299 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 5 I 8.02 4.10 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.10 0.89 0.00 0.00 6 T 7.94 3.99 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 1.23 0.00 0.00 7 Q 8.95 3.94 0.00 2.35 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 8 S 7.62 3.99 0.00 3.83 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 9 Q 8.10 3.92 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.66 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 10 E 8.35 3.91 0.00 2.04 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 2.28 2.32 0.00 11 T 7.95 3.88 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 1.21 0.00 0.00 12 A 7.98 4.04 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 13 I 7.73 3.64 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.73 0.87 0.00 0.00 14 L 8.02 4.14 0.00 1.90 1.75 0.81 0.73 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 E 8.35 3.97 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 16 S 7.99 4.15 0.00 4.10 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 17 F 8.69 4.04 0.00 3.17 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.27 3.98 0.00 2.07 1.71 1.09 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.67 3.94 0.00 2.08 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 2.31 2.46 0.00 20 L 7.82 3.96 0.00 1.53 1.45 0.81 0.44 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 21 V 7.24 3.44 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 0.87 0.00 0.00 0.38 0.00 0.00 22 K 7.58 4.30 0.00 1.76 1.78 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.54 1.46 7.81 23 S 6.73 4.67 0.00 3.84 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 24 P 0.00 4.58 0.00 2.21 2.02 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 25 Y 8.45 3.94 0.00 2.81 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 26 G 8.51 3.24 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 0.00 0.00 0.00 27 N 7.29 4.43 0.00 2.74 2.54 0.00 0.00 7.09 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 28 F 7.46 4.28 0.00 3.13 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 29 A 7.99 4.01 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 30 S 8.41 4.14 0.00 3.81 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 31 I 7.71 3.70 2.01 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 1.33 0.72 0.81 0.00 0.00 32 G 8.28 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.87 3.86 0.00 2.00 1.99 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 34 L 8.06 4.00 0.00 1.82 1.77 0.95 1.18 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 35 S 8.17 3.95 0.00 3.80 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 36 H 7.88 4.18 0.00 3.30 3.31 0.00 5.70 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.24 3.92 2.07 0.00 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0.00 0.00 0.00 54 T 7.06 4.79 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 1.26 0.00 0.00 55 P 0.00 4.25 0.00 2.28 2.36 0.00 3.71 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 2.07 2.02 0.00 56 Q 8.12 4.01 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 57 G 8.57 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 58 K 8.32 4.29 0.00 2.15 2.41 0.00 1.23 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.74 7.81 59 Q 8.46 4.75 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.20 0.00 60 A 7.89 3.77 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 61 F 7.94 4.20 0.00 3.31 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 62 E 7.94 4.32 0.00 2.15 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7.76 4.07 0.00 1.67 1.60 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.11 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 0.00 0.00 0.00 118 E 8.17 4.15 0.00 2.18 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 2.56 2.32 0.00 119 T 7.44 4.39 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 120 H 7.69 4.24 0.00 3.36 3.46 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.19 4.51 0.00 3.08 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 0.00 122 I 7.61 3.66 1.65 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.43 -0.56 0.00 0.00 123 W 8.52 3.81 0.00 3.31 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 0.00 124 H 7.92 3.96 0.00 3.15 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.43 3.48 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 1.03 0.00 0.00 0.97 0.00 0.00 126 V 7.55 3.52 1.71 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 0.80 0.00 0.00 0.60 0.00 0.00 127 T 7.77 3.80 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 1.09 0.00 0.00 128 G 7.47 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 0.00 129 C 7.77 4.50 0.00 2.97 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 0.00 130 D 8.52 4.64 0.00 2.94 2.62 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 0.00 131 T 8.19 4.38 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 132 D 7.62 4.61 0.00 2.89 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 0.00 133 K 8.24 3.50 0.00 1.68 1.78 0.00 1.53 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 0.96 7.81 134 P 0.00 4.46 0.00 2.30 2.44 0.00 3.57 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 2.41 2.04 0.00 135 G 8.83 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 0.00 0.00 0.00 136 E 8.41 4.22 0.00 2.41 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 0.00 2.66 2.62 0.00 137 V 8.00 4.02 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 1.37 0.00 0.00 1.11 0.00 0.00 138 K 8.34 4.17 0.00 2.07 2.10 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.78 7.81 139 L 8.16 4.06 0.00 1.79 1.91 0.71 0.67 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 0.00 140 E 8.63 4.35 0.00 2.44 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.72 0.00 141 A 8.62 4.35 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 0.00 0.00 0.00 0.00 0.00 142 F 8.32 4.29 0.00 3.31 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 8.50 4.21 0.00 2.70 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 0.00 144 T 8.15 4.11 4.73 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 1.40 0.00 0.00 145 A 8.19 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 7.68 4.36 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.28 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 147 L 7.81 4.84 0.00 1.96 1.76 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.05 4.05 1.93 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.83 0.98 0.00 0.00 149 P 0.00 4.85 0.00 2.19 2.14 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 150 D 8.26 4.55 0.00 2.76 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 0.00 151 R 8.29 4.51 0.00 1.82 1.88 0.00 3.34 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 152 L 7.97 3.77 0.00 1.61 1.32 0.72 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 153 F 8.22 4.23 0.00 3.26 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.06 4.01 0.00 1.82 1.73 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 155 A 7.99 4.14 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 0.00 156 L 7.97 4.02 0.00 2.07 1.80 0.83 0.26 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 0.00 157 L 8.18 4.03 0.00 1.94 1.76 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.05 4.09 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.33 3.77 0.00 1.49 1.42 0.00 0.91 0.00 0.00 1.32 0.00 0.00 2.78 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.22 1.66 7.81 160 N 8.11 4.32 0.00 2.95 3.00 0.00 0.00 7.06 6.70 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 0.00 161 L 8.10 4.09 0.00 1.87 1.74 0.93 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 162 L 7.99 3.97 0.00 1.72 1.90 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 163 K 8.48 4.17 0.00 1.82 2.06 0.00 1.88 0.00 0.00 1.95 0.00 0.00 2.78 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.64 1.86 7.81 164 T 8.11 4.15 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 165 A 7.62 3.87 1.31 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 *167 Y 7.76 4.77 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 0.00 168 E 8.40 5.02 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 169 V 7.97 3.70 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 1.04 0.00 0.00 0.94 0.00 0.00 170 E 8.28 4.05 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 171 L 8.19 4.46 0.00 1.99 1.77 0.93 0.76 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 0.00 172 C 8.18 3.89 0.00 3.10 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 0.00 173 E 8.26 3.98 0.00 2.03 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 2.42 2.38 0.00 174 Q 8.06 4.07 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 175 I 8.04 3.76 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.92 0.99 0.00 0.00 176 L 8.14 4.07 0.00 1.95 1.74 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 177 D 8.44 4.49 0.00 2.93 2.75 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 0.00 178 G 8.17 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 L 8.15 4.07 0.00 1.91 1.91 0.94 0.73 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 0.00 180 T 7.97 4.02 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 1.31 0.00 0.00 181 Q 8.28 4.33 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 182 G 8.67 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 0.00 0.00 0.00 183 W 8.47 4.95 0.00 3.46 3.24 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 *186 G 7.67 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 0.00 0.00 0.00 187 K 7.32 3.74 0.00 1.37 1.55 0.00 0.61 0.00 0.00 0.62 0.00 0.00 2.60 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.80 0.30 7.81 188 R 7.67 3.92 0.00 1.69 1.88 0.00 3.21 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 189 A 7.40 4.64 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 0.00 190 K 8.61 4.27 0.00 1.60 1.72 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.39 7.81 191 P 0.00 4.56 0.00 1.99 2.09 0.00 3.65 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 2.05 2.12 0.00 192 L 9.04 4.15 0.00 0.60 0.80 0.89 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 193 F 8.34 4.58 0.00 3.35 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 G 7.95 3.42 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 0.00 195 I 6.53 3.20 0.75 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.30 -0.91 0.00 0.00 196 E 7.91 4.14 0.00 1.79 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 197 W 7.95 3.94 0.00 3.05 2.62 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 0.00 198 N 7.82 3.33 0.00 2.90 2.96 0.00 0.00 5.86 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 0.00 199 K 7.26 4.42 0.00 1.52 1.74 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.25 7.81 200 L 7.53 4.77 0.00 1.62 1.63 0.67 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 201 W 8.13 4.86 0.00 3.41 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 0.00 202 E 8.28 4.55 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 203 T 8.04 4.35 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 204 P 0.00 4.96 0.00 2.15 1.92 0.00 3.66 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.21 0.00 205 L 8.93 4.02 0.00 1.86 1.77 0.97 1.08 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 0.00 206 E 8.21 4.29 0.00 2.05 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 2.42 2.31 0.00 207 E 8.09 3.97 0.00 2.17 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 2.37 2.33 0.00 208 L 8.06 3.96 0.00 1.84 1.92 0.95 0.69 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 0.00 209 Q 8.59 4.05 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 210 T 7.86 3.98 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 1.20 0.00 0.00 211 S 8.21 4.27 0.00 3.99 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 0.00 212 L 7.63 4.36 0.00 2.05 1.72 0.84 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 213 N 8.00 4.31 0.00 2.95 2.87 0.00 0.00 6.86 7.36 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 0.00 214 I 8.18 4.55 1.99 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 0.76 0.90 0.00 0.00 215 V 8.06 4.22 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 0.86 0.00 0.00 0.93 0.00 0.00 216 P 0.00 4.44 0.00 2.22 2.01 0.00 3.87 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.