NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.1869 8.2548 109.1028 45.0959 0.0000 174.6541 17 I 3.7009 7.2502 120.5822 63.1635 37.6234 175.3742 18 T 3.8350 7.8053 116.3204 63.2916 70.0793 174.0763 19 G 3.4416 7.4623 113.6594 45.0248 0.0000 171.0065 20 T 4.7171 7.5849 117.8288 61.5643 70.4707 174.3199 21 W 5.0256 8.8431 125.2330 55.0247 33.8091 173.8720 22 Y 5.5351 9.3531 119.2496 56.5426 41.6290 175.0352 23 N 5.6665 8.9817 120.9600 50.2217 40.1173 175.6095 24 Q 4.1306 8.6398 115.7677 58.5962 28.7590 176.8495 25 L 4.2626 8.1477 116.9061 54.7305 42.0329 177.3557 26 G 4.0088 8.1772 107.2854 45.4473 0.0000 174.1437 27 S 4.6254 8.3078 116.0162 58.6514 64.4894 173.2358 28 T 4.9250 8.6443 119.3220 61.7678 71.2354 172.9573 29 F 4.8580 9.2422 129.7136 56.5871 41.6434 173.8331 30 I 4.6830 8.4638 128.5868 59.3482 39.2775 175.4795 31 V 4.6323 8.2003 125.7556 60.2494 35.2699 173.9104 32 T 4.6314 8.8621 119.8476 61.7302 71.1558 173.0777 33 A 4.3618 8.6946 130.1003 50.3136 19.3056 177.2535 34 G 3.8312 9.3289 111.5226 45.4324 0.0000 173.7859 35 A 4.0864 8.5371 123.1719 54.8396 18.4780 178.4290 36 D 4.5124 8.0818 113.0624 53.6743 39.7923 177.2215 37 G 3.3439 8.4405 108.6267 45.1836 0.0000 173.0803 38 A 4.8637 8.1063 121.5976 51.2478 20.4343 176.6680 39 L 5.2983 8.9237 121.3137 53.1885 44.5595 175.8854 40 T 4.8876 8.8437 113.0232 59.5360 72.3907 174.1978 41 G 3.9486 7.4940 109.9910 46.4362 0.0000 171.3969 42 T 5.2758 7.7948 110.4293 60.1646 72.9059 172.7326 43 Y 5.0868 9.2731 123.9306 55.8809 42.2708 173.6899 44 E 5.5050 8.6870 126.4908 53.6904 32.5732 176.1263 45 S 4.1328 9.3624 122.0103 61.3416 63.0339 175.1315 *52 K 4.4826 7.9675 116.4051 55.8333 34.4401 175.0118 53 R 5.1039 7.8464 119.0606 54.8653 32.0719 175.2336 54 Y 4.8012 9.0177 119.8637 55.8751 42.3663 175.1193 55 V 4.3692 8.5846 122.5556 62.9298 32.5875 175.0346 56 L 5.5074 8.8123 126.2829 53.4359 44.0896 175.0914 57 T 5.0063 8.2467 113.3055 61.4449 71.3701 173.2581 58 G 4.6647 8.7147 111.6198 46.4929 0.0000 172.1543 59 R 5.6000 8.7370 117.8672 55.0106 34.9143 174.0408 60 Y 5.3149 8.6863 118.6776 55.2586 41.8168 174.5188 61 D 4.3018 9.0386 120.6581 54.1279 40.8284 176.9263 62 S 4.2539 8.1826 120.9117 59.1561 64.1162 174.1542 63 A 4.6984 8.0412 123.3735 50.0716 18.4099 173.5636 64 P 4.7968 0.0000 0.0000 60.8073 32.8199 177.1773 65 A 4.2263 8.3758 122.0410 52.6767 19.1622 177.6583 66 T 4.7313 8.2406 108.5911 61.7116 68.8464 174.3016 67 D 4.8203 8.3241 115.9272 53.9723 40.1526 177.1787 68 G 3.9911 8.3995 107.8870 45.6848 0.0000 174.5684 69 S 4.3204 7.9202 115.7462 58.0443 63.4081 174.2093 70 G 3.9567 8.4031 110.6341 46.5521 0.0000 172.7123 71 T 4.7929 8.9719 116.9707 61.6099 70.1289 174.8510 72 A 4.7934 8.7289 129.3481 52.1967 19.8860 175.8474 73 L 4.9372 8.9334 119.9917 55.7307 44.5138 173.6662 74 G 4.6684 9.1352 105.6365 45.6492 0.0000 172.0252 75 W 5.8222 8.6719 117.1449 55.5733 32.4854 173.4243 76 T 5.1740 9.2397 116.7779 61.7733 71.8548 173.2953 77 V 4.6663 8.7403 124.8957 60.9279 34.1870 173.9656 78 A 4.5896 8.3564 129.8619 49.8998 19.9174 177.5935 79 W 4.0794 8.6912 126.1163 56.7253 28.9571 176.3136 80 K 5.2259 8.0281 118.6227 54.6464 34.5540 174.3099 81 N 5.1803 8.7867 123.7566 51.6565 39.6158 173.5880 82 N 4.2938 8.5730 113.6037 55.8157 38.8211 175.2728 83 Y 4.6600 8.0587 114.5760 58.4131 40.0600 175.9529 84 R 4.7863 7.9132 116.4270 54.7985 34.3655 173.8676 85 N 5.1880 8.5044 117.8743 53.1928 40.6624 174.0335 86 A 4.2229 8.9887 128.8951 51.9876 19.9726 176.2300 87 H 4.1397 8.5589 113.7420 55.6956 26.6412 173.0288 88 S 5.1677 7.3229 112.3859 57.9700 66.8923 175.2523 89 A 5.0663 9.0073 121.3501 50.9561 22.7925 175.2104 90 T 4.8899 8.8355 118.9420 61.7535 71.4662 173.4632 91 T 4.8597 8.4022 116.0203 59.6429 71.6697 172.9350 92 W 4.9220 8.5989 125.4068 54.8343 31.4434 174.8276 93 S 4.9781 8.6786 119.7736 56.8378 64.8025 173.0809 94 G 4.5733 8.6658 113.2487 46.5185 0.0000 171.5973 95 Q 5.3309 8.4635 117.8368 54.8287 32.6213 173.6544 96 Y 4.7979 9.1804 124.0027 57.1867 40.5062 174.0747 97 V 4.1835 8.5665 126.8034 61.0316 34.0888 175.5473 98 G 4.0131 8.0766 116.0503 44.8783 0.0000 169.7306 99 G 3.8865 8.7452 103.6465 44.0195 0.0000 173.1348 100 A 4.0967 8.6797 120.6144 54.3890 18.8742 178.0030 101 E 4.6137 7.7335 115.2626 54.1159 29.1737 174.8839 102 A 4.5346 7.8146 122.3897 52.2648 19.9227 177.7614 103 R 5.2924 9.1626 118.5449 54.8396 35.5914 174.3324 104 I 4.8903 8.8714 122.1702 59.8746 40.0006 174.3428 105 N 5.4151 9.1286 126.0154 52.0166 40.1556 174.6027 106 T 5.3483 9.1573 113.4810 60.0701 72.8966 172.8094 107 Q 5.0456 9.0321 121.1190 53.9526 32.5744 174.6680 108 W 5.4653 8.4727 117.9367 54.7735 32.3959 173.8309 109 L 5.1627 8.7489 120.2788 52.9809 44.8387 175.2874 110 L 4.9035 9.3525 127.0058 53.8174 44.1198 174.8198 111 T 4.9489 8.6440 124.2529 62.1814 70.3668 174.4236 112 S 4.9650 8.8110 123.4001 56.9641 64.5611 174.5257 113 G 3.8530 8.6971 111.9549 46.6842 0.0000 173.0045 114 T 4.7978 8.3295 114.1319 59.3553 72.2775 173.2534 115 T 4.2664 8.0451 111.7678 61.1477 69.9628 175.3083 116 E 3.9792 8.7558 121.0977 59.5238 29.1559 179.4886 117 A 4.1817 8.0714 119.4615 54.3102 18.8538 178.1660 118 N 4.7276 7.7165 112.8960 53.2515 39.0946 176.7330 119 A 4.2140 8.0995 125.7813 54.1390 18.1728 179.9952 120 W 4.3309 8.3381 114.6150 58.4696 28.1533 176.7906 121 K 3.9813 6.2989 117.9685 55.9965 32.2727 177.5916 122 S 4.1129 7.7848 116.8350 61.2393 63.3833 173.3793 123 T 5.0176 7.4956 117.0388 61.6928 70.9322 173.5991 124 L 4.7041 8.9556 127.3446 53.6197 43.8378 176.2050 125 V 4.4161 7.8379 120.4550 60.3480 34.4697 175.2002 126 G 3.1012 6.3726 107.9860 45.8068 0.0000 170.9272 127 H 5.3328 8.0212 114.4903 54.2028 31.5768 172.6383 128 D 5.2980 9.2267 121.7184 52.7182 44.8925 174.4908 129 T 5.1586 8.8696 117.2279 60.4379 69.9580 172.6186 130 F 5.6400 9.6053 128.1691 56.2538 41.6351 174.9710 131 T 5.5037 9.4642 112.3917 60.0378 72.0489 175.0069 132 K 3.7068 8.9335 120.7714 57.6673 32.6488 177.5792 133 V 3.9473 7.7569 123.0118 62.7945 31.5663 174.9234 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 G 8.25 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 0.00 0.00 0.00 17 I 7.25 3.70 1.33 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 0.81 -0.31 0.49 0.00 0.00 18 T 7.81 3.84 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 1.09 0.00 0.00 19 G 7.46 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.58 4.72 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 21 W 8.84 5.03 0.00 3.26 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 9.35 5.54 0.00 2.97 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 23 N 8.98 5.67 0.00 2.41 1.59 0.00 0.00 6.62 6.56 0.00 0.00 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 Q 8.64 4.13 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 25 L 8.15 4.26 0.00 1.89 1.81 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.18 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 0.00 0.00 0.00 27 S 8.31 4.63 0.00 4.09 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.64 4.93 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 1.07 0.00 0.00 29 F 9.24 4.86 0.00 2.58 2.85 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 30 I 8.46 4.68 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.55 0.75 0.00 0.00 31 V 8.20 4.63 0.72 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 0.18 0.00 0.00 0.55 0.00 0.00 32 T 8.86 4.63 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 1.14 0.00 0.00 33 A 8.69 4.36 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.33 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 35 A 8.54 4.09 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 36 D 8.08 4.51 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.44 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.11 4.86 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.92 5.30 0.00 1.67 1.52 1.17 0.22 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 40 T 8.84 4.89 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 1.21 0.00 0.00 41 G 7.49 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 42 T 7.79 5.28 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 1.20 0.00 0.00 43 Y 9.27 5.09 0.00 2.99 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 44 E 8.69 5.51 0.00 2.09 1.75 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 2.29 2.30 0.00 45 S 9.36 4.13 0.00 4.10 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *52 K 7.97 4.48 0.00 1.89 2.01 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.67 7.81 53 R 7.85 5.10 0.00 1.66 1.84 0.00 3.17 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 54 Y 9.02 4.80 0.00 2.85 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 55 V 8.58 4.37 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 0.81 0.00 0.00 0.94 0.00 0.00 56 L 8.81 5.51 0.00 2.06 1.80 0.84 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.25 5.01 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 1.26 0.00 0.00 58 G 8.71 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.74 5.60 0.00 1.77 1.80 0.00 3.30 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 Y 8.69 5.31 0.00 2.98 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 61 D 9.04 4.30 0.00 2.81 2.68 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 62 S 8.18 4.25 0.00 3.89 3.43 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 63 A 8.04 4.70 1.22 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 0.00 0.00 64 P 0.00 4.80 0.00 2.28 2.18 0.00 3.44 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 65 A 8.38 4.23 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.24 4.73 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 1.25 0.00 0.00 67 D 8.32 4.82 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.40 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 0.00 0.00 0.00 69 S 7.92 4.32 0.00 3.97 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 70 G 8.40 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 71 T 8.97 4.79 4.55 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 1.45 0.00 0.00 72 A 8.73 4.79 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.93 4.94 0.00 2.09 1.95 1.29 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.14 4.67 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 0.00 0.00 0.00 75 W 8.67 5.82 0.00 3.54 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 76 T 9.24 5.17 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 77 V 8.74 4.67 1.48 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 -0.55 0.00 0.00 0.77 0.00 0.00 78 A 8.36 4.59 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.69 4.08 0.00 3.31 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 80 K 8.03 5.23 0.00 1.91 1.74 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.44 7.81 81 N 8.79 5.18 0.00 2.66 2.50 0.00 0.00 7.06 7.65 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 82 N 8.57 4.29 0.00 1.73 2.36 0.00 0.00 6.63 7.46 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 83 Y 8.06 4.66 0.00 2.97 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 84 R 7.91 4.79 0.00 2.04 1.93 0.00 3.42 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 85 N 8.50 5.19 0.00 2.67 2.60 0.00 0.00 6.95 7.96 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 86 A 8.99 4.22 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 87 H 8.56 4.14 0.00 3.34 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.32 5.17 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 89 A 9.01 5.07 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.84 4.89 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 -0.54 0.00 0.00 91 T 8.40 4.86 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 92 W 8.60 4.92 0.00 1.78 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 0.00 0.00 0.00 93 S 8.68 4.98 0.00 3.80 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.67 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.46 5.33 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 9.18 4.80 0.00 3.03 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 97 V 8.57 4.18 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 0.93 0.00 0.00 0.91 0.00 0.00 98 G 8.08 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 0.00 0.00 0.00 99 G 8.75 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 0.00 100 A 8.68 4.10 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 0.00 101 E 7.73 4.61 0.00 1.93 1.88 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 2.23 2.31 0.00 102 A 7.81 4.53 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 0.00 103 R 9.16 5.29 0.00 1.75 1.90 0.00 3.33 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 104 I 8.87 4.89 1.76 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.36 1.07 0.00 0.00 105 N 9.13 5.42 0.00 2.72 2.82 0.00 0.00 6.09 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 0.00 106 T 9.16 5.35 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 1.51 0.00 0.00 107 Q 9.03 5.05 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 108 W 8.47 5.47 0.00 2.56 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.75 5.16 0.00 1.51 1.53 0.87 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.35 4.90 0.00 1.53 1.68 0.92 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.64 4.95 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 1.19 0.00 0.00 112 S 8.81 4.96 0.00 3.67 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 0.00 113 G 8.70 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.33 4.80 4.18 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 1.16 0.00 0.00 115 T 8.05 4.27 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 116 E 8.76 3.98 0.00 2.05 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 0.00 2.41 2.39 0.00 117 A 8.07 4.18 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 7.72 4.73 0.00 2.63 2.69 0.00 0.00 6.76 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.10 4.21 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 0.00 120 W 8.34 4.33 0.00 3.62 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 6.30 3.98 0.00 1.08 0.74 0.00 1.21 0.00 0.00 1.18 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 0.77 7.81 122 S 7.78 4.11 0.00 4.15 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 0.00 123 T 7.50 5.02 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 1.23 0.00 0.00 124 L 8.96 4.70 0.00 1.79 1.75 0.93 0.80 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 0.00 125 V 7.84 4.42 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.67 0.00 0.00 126 G 6.37 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 0.00 0.00 0.00 127 H 8.02 5.33 0.00 3.15 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.23 5.30 0.00 3.03 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 0.00 129 T 8.87 5.16 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 130 F 9.61 5.64 0.00 3.13 3.33 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 0.00 131 T 9.46 5.50 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 132 K 8.93 3.71 0.00 1.59 1.61 0.00 1.44 0.00 0.00 1.42 0.00 0.00 2.54 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.30 0.40 7.81 133 V 7.76 3.95 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 0.74 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.