NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5543 8.1627 120.2743 55.1608 33.8568 173.7448 2 K 4.8326 8.6179 124.6511 54.2116 35.6444 173.6161 3 I 4.6238 9.3875 128.7316 59.5146 40.9190 173.9738 4 D 5.1876 8.8309 127.1320 54.1304 41.8366 175.8503 5 I 4.2644 8.2163 123.1590 59.8975 40.4310 176.1315 6 L 3.5238 8.4094 124.3647 56.4116 39.4368 175.7340 7 D 4.8410 8.9962 120.0976 55.7395 40.4488 178.7907 8 K 4.4959 8.4059 115.8208 56.5557 34.9046 175.6314 9 G 4.3283 7.8926 109.0938 45.6946 0.0000 172.5644 10 F 5.2540 7.5340 112.2686 56.5232 41.8282 173.1922 11 V 4.9706 8.5838 119.3303 61.2008 34.4437 173.9454 12 E 5.3148 9.2695 125.4821 54.3255 32.9661 174.6829 13 L 4.2921 8.4586 124.7476 55.1786 42.2386 176.4578 14 V 4.1774 7.9824 125.0879 63.2136 33.7169 174.5141 15 D 4.3764 7.4907 118.0149 54.2634 44.3585 174.8534 16 V 4.3818 8.0751 120.0568 61.7316 34.7749 172.6437 17 M 4.2038 9.0079 128.0730 55.9451 33.9671 176.0063 18 G 4.1218 10.3110 114.8046 45.1055 0.0000 169.5965 19 N 4.7018 8.0299 113.4742 51.3904 39.7793 174.1955 20 D 4.5103 8.7976 115.9876 58.2456 40.9053 178.3504 21 L 4.3222 8.0209 118.4597 57.0167 41.4927 179.5823 22 S 4.1460 8.0685 115.8830 61.4223 62.8485 176.3193 23 A 4.0948 7.9296 123.3751 54.9316 17.6975 179.9110 24 V 3.5764 7.6511 116.4877 66.2405 31.5954 178.4024 25 R 3.9112 8.0904 117.6963 59.0076 29.7376 178.9253 26 A 3.8423 7.8403 120.1499 55.0811 18.1628 179.6156 27 A 3.9442 7.7163 117.6453 54.4400 18.5233 179.0188 28 R 4.2006 7.4781 113.6412 54.8278 31.6953 176.1695 29 V 3.2364 7.2156 118.2762 63.3112 30.3511 172.8893 30 S 4.4211 7.7113 111.8346 58.1621 67.0189 170.8896 31 F 4.4075 8.3871 124.5660 57.0328 35.3948 176.9169 *37 D 4.4483 8.6362 125.4878 54.4272 41.4980 174.2597 38 E 4.1596 8.2760 124.6010 59.6234 29.8900 178.3672 39 E 3.7716 8.2444 118.2838 59.6753 29.0017 178.9362 40 R 3.8928 8.6836 117.9618 59.4879 30.1656 178.9125 41 D 4.4374 7.8752 118.6221 57.4749 40.8176 178.8929 42 R 3.8135 7.7792 119.0002 59.2986 29.8903 177.9431 43 H 4.2392 8.0069 118.2358 58.5792 29.7689 177.0750 44 L 4.0488 7.6031 121.5847 58.1999 42.0451 178.7635 45 I 3.9829 7.9373 119.8030 64.7614 37.0065 178.2894 46 E 4.1504 8.2321 119.0810 59.1347 29.2019 178.7422 47 Y 3.9499 7.9034 119.7575 60.7102 38.9910 178.0759 48 L 3.9693 8.5408 120.3547 57.8681 41.6201 179.1667 49 M 4.1197 8.1773 118.0472 58.7772 32.0764 178.2833 50 K 3.7756 7.8084 118.2166 58.9727 32.2969 177.3644 51 H 4.6492 7.6219 113.5312 54.9751 29.0880 175.8591 52 G 3.8688 7.7433 109.0788 45.9434 0.0000 174.4924 53 H 4.6114 7.7685 117.9558 54.7377 27.2606 174.7026 54 E 4.9284 8.4086 123.0463 56.9941 30.8642 178.4179 55 T 4.0545 8.2212 110.2266 64.8119 68.1622 174.1111 56 P 4.2681 0.0000 0.0000 65.1933 30.7735 177.8490 57 F 4.5179 8.2129 115.5048 59.0199 38.7215 176.9928 58 E 4.2184 8.1478 118.1446 58.7021 29.3160 177.0709 59 H 4.6114 7.5772 114.7683 55.9251 28.9283 174.6325 60 I 4.7423 7.5167 120.6503 59.5298 40.0693 174.8778 61 V 4.9711 8.1124 124.7310 61.3787 35.5663 173.7651 62 F 5.0957 8.9806 122.9570 55.9675 43.7961 174.1799 63 T 4.8810 8.0469 115.7971 62.2219 71.9724 173.4077 64 F 5.1535 9.4445 125.7304 55.9594 42.6203 174.6281 65 H 5.0069 9.1361 121.1920 54.6886 31.8180 172.7522 66 V 4.5254 7.9486 126.1150 60.8311 34.6066 174.6954 67 K 4.3023 8.2811 126.3132 54.4470 34.3173 174.5490 68 A 5.6647 8.2836 127.6497 47.9393 23.3918 173.3003 69 P 4.2139 0.0000 0.0000 61.8860 32.2939 177.9404 70 I 3.4934 8.4448 123.4377 64.7459 36.5966 178.9113 71 F 4.1674 8.0607 114.7682 59.7811 37.6776 177.8153 72 V 3.1303 6.2761 118.1317 65.5391 31.3531 177.7353 73 A 3.8820 7.5771 120.5034 55.0168 17.8426 179.8406 74 R 3.6732 7.8398 116.3457 59.2908 30.3630 179.0023 75 Q 4.1397 7.6399 117.7466 58.4424 28.7802 178.1348 76 W 4.2921 8.0202 128.9356 60.7788 30.6068 177.8988 77 F 3.4977 8.3104 115.1554 59.3572 38.2825 177.2366 78 R 4.3408 7.7621 117.2663 57.6763 30.2162 176.5503 79 H 4.6345 8.0407 116.0732 54.8205 27.5701 175.1989 80 R 4.1840 8.5605 124.5066 59.1172 30.5209 178.4241 81 I 4.0932 7.6280 119.2035 58.3610 35.4241 173.5245 82 A 4.3180 7.0047 123.3335 51.7936 22.5437 175.8599 83 S 4.8591 8.2330 114.6214 57.2029 65.9137 173.6952 84 Y 5.4909 8.3346 119.3190 55.6789 42.3977 175.2274 85 N 4.7853 8.8344 118.5153 52.9680 42.0721 173.2990 86 E 5.3075 8.8281 125.0527 54.2384 31.9790 175.4678 87 L 4.3443 8.5490 124.7557 55.1184 41.6653 177.4196 88 S 4.4475 9.0959 115.6640 57.6502 65.0673 175.0574 89 G 3.9330 8.7858 109.9513 46.2355 0.0000 174.4062 *90 R 4.5914 7.6748 115.7312 55.9225 31.1239 179.3351 91 Y 4.8089 7.7851 113.2471 60.9941 43.3894 176.6418 *92 S 4.1657 8.4951 114.7414 58.8922 60.5656 177.6580 *94 L 4.1571 8.8246 113.1355 55.3798 42.9810 175.5323 95 S 4.5811 7.8337 114.4498 56.6693 65.6917 173.2602 96 Y 4.3323 8.2027 119.0491 56.3482 39.7172 174.4207 97 E 4.8681 7.9882 123.1980 54.3895 34.2246 174.8499 98 F 5.5380 8.8579 118.8894 55.9474 43.3084 173.9961 99 Y 5.2121 8.9074 123.3688 56.6121 39.1593 175.1247 100 I 4.0990 8.4072 128.5859 58.5928 37.9641 174.1136 101 P 4.1304 0.0000 0.0000 62.6011 31.9261 176.5952 102 S 4.6160 8.3132 114.8876 56.7961 64.5734 173.5379 103 P 4.2916 0.0000 0.0000 65.4673 31.0262 178.5970 104 E 4.0795 7.8094 116.1890 58.4712 29.0428 179.0382 105 R 3.6174 7.5982 118.7693 58.6382 30.1952 176.6998 106 L 4.4060 7.4274 117.1664 54.2964 41.7220 175.8337 107 E 3.9641 7.6067 120.8507 57.6769 30.0156 175.1599 108 G 4.0753 9.0722 113.4933 45.8470 0.0000 173.5382 109 Y 4.1212 7.3545 116.9053 56.9921 38.5581 175.4433 110 K 4.3247 8.6293 124.6409 55.5833 31.9704 176.1863 111 T 4.6273 8.0278 113.9963 59.8003 70.9793 174.9872 112 T 3.9194 8.5202 119.9702 66.4828 68.6592 174.8775 113 I 4.3391 7.2254 112.8303 58.3713 39.7287 173.5699 114 P 4.3757 0.0000 0.0000 62.0318 32.0577 175.9122 115 P 4.1884 0.0000 0.0000 66.0455 30.6542 178.8416 116 E 4.0360 8.1641 116.4815 58.8187 29.2873 178.7832 117 R 4.0584 8.5338 119.2784 58.5938 30.1328 178.4559 118 V 3.5374 7.6546 117.8405 66.2238 31.4233 178.0087 119 T 3.8478 7.8234 115.3237 66.4376 68.1448 176.6656 120 E 3.9175 7.7638 119.7548 59.4538 29.5930 179.3921 121 K 4.0220 8.1745 118.5968 59.6599 32.1623 179.4460 122 I 3.6672 7.5345 119.8469 64.3344 36.9949 178.6745 123 S 4.0329 7.7982 115.9136 61.4360 62.7108 176.0630 124 E 3.8907 8.3000 122.2007 59.5793 29.3393 178.9763 125 I 3.6544 7.5846 119.4281 64.3294 37.0926 178.4851 126 V 3.2486 7.5048 118.7057 66.0383 31.1599 177.8206 127 D 4.3679 8.0508 118.3937 57.3714 40.7024 178.9868 128 K 3.9594 8.1314 118.7258 59.3730 32.1635 179.3400 129 A 4.0264 8.5714 121.4254 55.3051 18.3728 179.1124 130 Y 4.3137 8.4018 118.5038 60.8164 38.7890 178.3361 131 R 3.6855 8.3650 119.3348 59.5793 30.3551 178.8758 132 T 3.8189 7.9251 115.4878 66.9214 68.5501 175.7043 133 Y 4.1404 7.8567 120.5708 60.9601 38.8012 178.4208 134 L 3.5131 7.5337 119.4962 57.4197 41.2299 179.1051 135 E 3.8219 8.2675 119.6674 59.1176 29.5210 178.8955 136 L 4.0546 7.5906 118.8431 57.3883 41.6132 179.4948 137 I 3.5427 7.2709 119.5183 64.4912 36.9270 178.3621 138 E 3.8872 7.8989 117.6543 59.0158 29.4559 178.4569 139 S 4.1571 7.2585 111.3023 59.1926 62.6285 174.5852 140 G 4.1589 8.0771 109.4384 45.4387 0.0000 173.0990 141 V 4.2081 7.4927 119.4564 59.7500 32.8367 174.1242 142 P 4.3981 0.0000 0.0000 62.6435 31.9626 177.1573 143 R 4.0490 8.9613 120.7538 59.8486 29.7345 178.7979 144 E 3.9650 8.3236 115.6294 58.8054 29.6620 178.4531 145 V 4.0737 7.9881 118.5658 64.7921 32.5549 177.4678 146 A 4.1648 8.0357 120.2487 55.1551 18.4050 179.0502 147 R 4.2022 8.6049 113.4934 57.7169 29.4494 177.9828 148 I 4.0861 7.5608 112.7715 62.4213 37.9211 177.0939 149 V 4.1324 7.2084 112.0454 60.8136 32.3993 176.0174 150 L 4.2751 7.3038 119.9800 53.5039 41.7648 175.2487 151 P 4.5885 0.0000 0.0000 62.3614 32.2392 177.0882 152 L 4.2336 8.4287 117.7918 56.8740 41.9013 177.9035 153 N 5.2785 8.2073 116.3976 52.8490 38.7894 174.2847 154 L 4.3195 7.7542 122.2150 55.5057 43.2229 175.7396 155 Y 4.5716 8.3201 124.3306 58.2240 39.0403 174.5833 156 T 4.7702 9.2066 117.0993 60.6277 72.1586 172.2591 157 R 5.2116 8.3405 120.9595 54.6019 34.7000 174.4741 158 F 5.5860 8.5094 115.8359 56.1883 42.2479 172.5861 159 F 5.3531 9.4935 118.5193 55.6821 41.4376 174.7806 160 W 5.2624 9.4844 133.6120 56.0209 33.4494 173.9288 161 T 5.5125 8.6670 124.6326 60.9901 70.3941 173.9359 162 V 4.5172 7.6170 125.0553 59.9068 35.2136 174.5269 163 N 5.0219 8.4596 119.5300 51.4668 39.3295 175.8335 164 A 3.8200 8.6745 120.2733 55.1902 17.8479 179.9835 165 R 3.7872 8.0686 116.6273 59.7867 30.2974 178.6240 166 S 4.1547 8.6179 113.1380 61.1713 62.3330 175.7197 167 L 3.8611 8.0711 123.4801 58.4176 41.7217 178.8795 168 M 3.7559 7.8173 118.2392 57.5622 31.2813 178.2720 169 N 4.4306 7.7865 117.4210 56.5229 39.1944 176.6475 170 F 4.1500 8.5313 122.2343 61.3615 39.3235 177.0694 171 L 4.0693 8.2217 118.4654 57.4593 41.2795 178.9732 172 N 4.4977 8.1101 115.2736 55.2794 38.5017 176.3163 173 L 4.4416 7.3752 117.7968 55.3887 42.8795 177.9727 174 R 4.1167 7.6748 116.6868 56.1892 31.9487 176.6670 175 A 4.5797 7.3255 124.3829 50.1600 17.9058 175.6996 176 D 5.0248 7.1983 121.4167 52.0443 44.9018 176.0844 177 S 4.2799 8.7821 119.1772 61.4950 63.0563 175.4485 178 H 4.2443 8.6002 117.0213 57.4861 28.6810 175.5441 179 A 4.3516 7.5621 122.2141 50.9753 19.4364 177.4566 180 Q 4.2456 8.3362 120.0495 55.4980 31.1701 176.6751 181 W 4.2628 9.0720 135.0000 60.9656 30.5504 178.0656 182 E 3.6351 8.5190 117.6833 59.5342 28.9246 179.1636 183 I 3.7799 7.6864 117.9702 63.9002 37.9858 177.6069 184 Q 4.1012 7.7330 120.4938 58.4432 28.3838 178.9684 185 Q 3.7041 7.4084 118.3468 59.0707 28.6330 178.5341 186 Y 3.8909 7.6261 116.1641 60.7760 37.8268 178.2460 187 A 4.0560 8.1462 121.9286 55.1830 18.5450 179.5102 188 L 3.9458 8.1610 117.5419 57.8896 41.5753 179.7912 189 A 3.9422 7.7333 120.6592 55.3538 18.5411 179.6257 190 I 3.5419 7.8878 118.1072 64.5311 37.1341 178.5737 191 A 4.1726 8.4982 121.9804 55.0037 18.2252 179.6078 192 R 3.6148 7.8852 117.0330 59.6571 30.2716 178.5663 193 I 3.7166 7.5252 119.1827 64.5790 37.1125 178.0757 194 F 4.3817 8.0767 120.8258 61.3102 38.9363 177.0556 195 K 3.2210 7.3055 118.0696 59.2130 31.8689 178.3007 196 E 4.0329 7.8396 118.0307 59.1475 29.4401 178.9042 197 K 4.3028 7.8265 116.6468 57.5103 34.0331 177.1046 198 C 5.0292 8.3338 115.4138 55.1134 28.8479 172.4142 199 P 4.3422 0.0000 0.0000 65.9596 31.0845 178.6269 200 W 4.4538 8.2428 118.3393 59.8738 29.1162 178.4841 201 T 4.0728 8.8303 115.9967 66.6869 67.9718 176.5459 202 F 4.0775 8.4708 122.9778 60.9361 38.9243 176.8172 203 E 3.8093 8.6483 118.9762 59.4272 29.6191 178.7939 204 A 4.1635 8.3889 120.8584 54.8987 18.4055 179.4115 205 F 4.2516 8.1606 119.4262 61.6867 39.3227 177.4861 206 L 3.7600 7.2470 116.6842 57.1373 41.3164 179.0502 207 K 3.8847 7.2453 116.8566 57.6460 32.2594 177.1927 208 Y 4.6985 7.6790 113.7986 57.4279 40.2629 176.1290 209 A 4.5644 7.7931 119.2661 51.8609 21.2024 175.2600 210 Y 3.6284 7.6490 117.2028 58.2314 38.5773 176.2556 211 K 3.9806 9.2371 126.7791 56.5108 32.9074 177.2242 212 G 4.1318 5.3800 107.9344 43.7351 0.0000 171.8778 213 D 4.7761 7.9709 117.3827 54.4489 41.3066 178.2172 214 I 3.7773 7.8823 113.6897 63.5451 37.1124 177.9057 215 L 4.1158 8.0002 119.7258 56.8766 41.4637 178.3710 216 K 4.3331 7.6948 116.3348 56.7266 32.3953 177.4188 217 E 4.6416 7.7039 117.6461 56.0958 30.4052 175.9632 218 V 4.0162 7.4192 123.9892 63.1545 31.8495 174.1503 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 1 M 8.16 4.55 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 2 K 8.62 4.83 0.00 1.67 1.54 0.00 1.37 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.32 7.81 3 I 9.39 4.62 1.89 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 1.23 0.78 0.89 0.00 0.00 4 D 8.83 5.19 0.00 2.58 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 5 I 8.22 4.26 1.07 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.64 0.04 0.00 0.00 6 L 8.41 3.52 0.00 1.89 1.62 0.55 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.00 4.84 0.00 2.98 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 8 K 8.41 4.50 0.00 0.95 1.40 0.00 1.65 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.45 7.81 9 G 7.89 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 F 7.53 5.25 0.00 3.08 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 11 V 8.58 4.97 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 1.12 0.00 0.00 1.17 0.00 0.00 12 E 9.27 5.31 0.00 2.11 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 2.47 2.26 0.00 13 L 8.46 4.29 0.00 1.71 1.59 0.72 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.98 4.18 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 0.73 0.00 0.00 0.59 0.00 0.00 15 D 7.49 4.38 0.00 2.63 2.33 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 16 V 8.08 4.38 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.74 0.00 0.00 17 M 9.01 4.20 0.00 1.93 1.78 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 18 G 10.31 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.03 4.70 0.00 2.81 2.82 0.00 0.00 7.43 7.91 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 20 D 8.80 4.51 0.00 2.40 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 21 L 8.02 4.32 0.00 1.86 1.76 0.95 1.11 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 22 S 8.07 4.15 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 23 A 7.93 4.09 1.14 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 24 V 7.65 3.58 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 1.12 0.00 0.00 1.12 0.00 0.00 25 R 8.09 3.91 0.00 2.12 1.97 0.00 3.49 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.74 0.00 26 A 7.84 3.84 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 27 A 7.72 3.94 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 28 R 7.48 4.20 0.00 1.67 1.86 0.00 3.25 0.00 0.00 3.11 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 29 V 7.22 3.24 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 0.64 0.00 0.00 0.88 0.00 0.00 30 S 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1.39 1.40 7.81 111 T 8.03 4.63 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 0.00 112 T 8.52 3.92 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 1.20 0.00 0.00 113 I 7.23 4.34 1.86 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 1.39 0.56 0.90 0.00 0.00 114 P 0.00 4.38 0.00 2.19 2.06 0.00 3.60 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 2.10 2.10 0.00 115 P 0.00 4.19 0.00 2.13 2.21 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 2.11 2.19 0.00 116 E 8.16 4.04 0.00 2.04 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 2.39 2.42 0.00 117 R 8.53 4.06 0.00 1.86 1.98 0.00 3.21 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 118 V 7.65 3.54 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 0.94 0.00 0.00 0.93 0.00 0.00 119 T 7.82 3.85 4.36 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 1.18 0.00 0.00 120 E 7.76 3.92 0.00 2.23 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 2.31 2.34 0.00 121 K 8.17 4.02 0.00 1.75 1.83 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.66 7.81 122 I 7.53 3.67 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.26 0.83 0.00 0.00 123 S 7.80 4.03 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 0.00 124 E 8.30 3.89 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 125 I 7.58 3.65 1.81 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 1.37 0.70 0.86 0.00 0.00 126 V 7.50 3.25 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 0.01 0.00 0.00 0.75 0.00 0.00 127 D 8.05 4.37 0.00 2.88 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 0.00 128 K 8.13 3.96 0.00 1.92 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.65 7.81 129 A 8.57 4.03 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 0.00 130 Y 8.40 4.31 0.00 2.99 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 0.00 131 R 8.36 3.69 0.00 2.10 1.92 0.00 3.26 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 132 T 7.93 3.82 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 133 Y 7.86 4.14 0.00 3.09 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 0.00 134 L 7.53 3.51 0.00 1.61 1.62 0.28 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.27 3.82 0.00 2.07 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 0.00 2.25 2.29 0.00 136 L 7.59 4.05 0.00 1.79 1.63 0.95 0.64 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 0.00 137 I 7.27 3.54 1.51 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.15 0.78 0.00 0.00 138 E 7.90 3.89 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.17 0.00 139 S 7.26 4.16 0.00 3.96 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 0.00 140 G 8.08 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.49 4.21 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 0.84 0.00 0.00 0.91 0.00 0.00 142 P 0.00 4.40 0.00 2.27 2.17 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 143 R 8.96 4.05 0.00 1.97 2.25 0.00 3.24 0.00 0.00 3.59 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.78 0.00 144 E 8.32 3.96 0.00 2.14 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 0.00 2.31 2.40 0.00 145 V 7.99 4.07 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.95 0.00 0.00 146 A 8.04 4.16 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 R 8.60 4.20 0.00 2.03 2.33 0.00 2.80 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.68 0.00 148 I 7.56 4.09 1.90 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 1.87 0.63 0.99 0.00 0.00 149 V 7.21 4.13 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 0.83 0.00 0.00 1.10 0.00 0.00 150 L 7.30 4.28 0.00 1.82 1.75 0.66 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.59 0.00 2.43 2.22 0.00 3.92 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.96 0.00 152 L 8.43 4.23 0.00 1.76 1.91 0.92 0.55 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 0.00 153 N 8.21 5.28 0.00 3.08 3.22 0.00 0.00 5.91 6.67 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 0.00 154 L 7.75 4.32 0.00 2.07 1.54 0.87 0.58 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 0.00 155 Y 8.32 4.57 0.00 2.86 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 0.00 156 T 9.21 4.77 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 157 R 8.34 5.21 0.00 1.80 1.83 0.00 3.35 0.00 0.00 3.43 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 158 F 8.51 5.59 0.00 3.42 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 0.00 159 F 9.49 5.35 0.00 3.02 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 0.00 160 W 9.48 5.26 0.00 3.34 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 0.00 161 T 8.67 5.51 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 162 V 7.62 4.52 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 0.00 0.00 -0.45 0.00 0.00 0.67 0.00 0.00 163 N 8.46 5.02 0.00 3.23 2.95 0.00 0.00 5.96 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 A 8.67 3.82 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 0.00 0.00 0.00 0.00 0.00 165 R 8.07 3.79 0.00 1.98 1.98 0.00 3.25 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.03 0.00 166 S 8.62 4.15 0.00 3.95 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 0.00 167 L 8.07 3.86 0.00 1.59 1.41 0.24 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 168 M 7.82 3.76 0.00 1.46 1.95 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.52 0.00 169 N 7.79 4.43 0.00 2.92 3.13 0.00 0.00 6.66 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 0.00 170 F 8.53 4.15 0.00 3.23 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 0.00 171 L 8.22 4.07 0.00 2.00 2.03 1.14 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 172 N 8.11 4.50 0.00 2.95 2.90 0.00 0.00 6.90 8.85 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 0.00 173 L 7.38 4.44 0.00 1.56 1.63 0.98 0.83 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 0.00 174 R 7.67 4.12 0.00 0.83 1.36 0.00 2.99 0.00 0.00 2.92 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.51 0.00 175 A 7.33 4.58 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 0.00 176 D 7.20 5.02 0.00 2.68 2.43 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 0.00 177 S 8.78 4.28 0.00 4.07 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 H 8.60 4.24 0.00 3.20 3.42 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 A 7.56 4.35 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 Q 8.34 4.25 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.80 2.59 0.00 181 W 9.07 4.26 0.00 3.54 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 E 8.52 3.64 0.00 2.25 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 2.63 2.51 0.00 183 I 7.69 3.78 1.91 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.12 0.88 0.00 0.00 184 Q 7.73 4.10 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.43 0.00 185 Q 7.41 3.70 0.00 1.72 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 1.32 1.32 0.00 186 Y 7.63 3.89 0.00 3.14 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 0.00 187 A 8.15 4.06 1.14 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 0.00 188 L 8.16 3.95 0.00 1.80 1.72 0.89 1.34 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 0.00 189 A 7.73 3.94 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 0.00 190 I 7.89 3.54 2.11 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 1.77 1.32 0.75 0.00 0.00 191 A 8.50 4.17 1.51 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 0.00 192 R 7.89 3.61 0.00 1.94 2.06 0.00 3.14 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 193 I 7.53 3.72 2.10 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.00 1.09 0.00 0.00 194 F 8.08 4.38 0.00 2.94 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 K 7.31 3.22 0.00 0.79 1.47 0.00 1.63 0.00 0.00 1.52 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.24 7.81 196 E 7.84 4.03 0.00 2.21 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 2.42 2.48 0.00 197 K 7.83 4.30 0.00 2.05 1.92 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.72 1.78 7.81 198 C 8.33 5.03 0.00 2.75 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 0.00 199 P 0.00 4.34 0.00 2.39 2.34 0.00 3.72 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 1.89 1.95 0.00 200 W 8.24 4.45 0.00 3.69 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 T 8.83 4.07 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 202 F 8.47 4.08 0.00 2.59 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 0.00 203 E 8.65 3.81 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 204 A 8.39 4.16 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 F 8.16 4.25 0.00 3.16 3.14 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 0.00 206 L 7.25 3.76 0.00 1.45 1.41 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 207 K 7.25 3.88 0.00 0.88 0.89 0.00 1.45 0.00 0.00 1.49 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.17 1.40 7.81 208 Y 7.68 4.70 0.00 2.96 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 0.00 209 A 7.79 4.56 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 0.00 210 Y 7.65 3.63 0.00 1.66 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 0.00 211 K 9.24 3.98 0.00 1.66 1.66 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.48 7.81 212 G 5.38 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 D 7.97 4.78 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 0.00 214 I 7.88 3.78 1.93 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 1.85 0.76 0.97 0.00 0.00 215 L 8.00 4.12 0.00 1.03 1.47 0.71 0.87 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 0.00 216 K 7.69 4.33 0.00 1.74 1.85 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.22 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.50 7.81 217 E 7.70 4.64 0.00 2.06 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 2.27 2.43 0.00 218 V 7.42 4.02 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 0.78 0.00 0.00 1.02 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.