NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 I 3.9805 8.0131 120.7886 60.2634 39.0618 174.7212 9 G 3.4609 8.6773 116.2087 45.3502 0.0000 171.6203 10 I 3.8406 8.1640 128.3665 59.9886 38.4403 172.7663 11 P 4.6772 0.0000 0.0000 62.0290 32.5408 176.2472 12 F 4.5660 8.4942 120.3423 54.9151 38.8211 174.1361 13 P 4.4455 0.0000 0.0000 64.1639 31.7390 176.8220 14 D 4.7249 7.9803 116.6944 54.6527 42.3673 177.3217 15 H 4.1757 8.4712 119.0026 60.0519 29.8072 177.1408 16 S 4.1335 8.0883 115.7969 61.4011 62.7705 176.3922 17 S 4.1210 7.9722 117.4038 61.1349 62.9732 176.0718 18 D 4.3015 8.2067 122.5569 57.0981 40.5470 178.5849 19 I 3.5936 7.9630 120.7547 64.3967 37.1327 178.2454 20 L 3.8796 7.9778 121.0479 58.0556 41.8083 178.7134 21 S 4.2214 8.3795 113.5144 61.5267 62.2915 176.5276 22 G 3.5896 8.1490 108.2650 47.7753 0.0000 175.7576 23 L 4.0808 8.0524 121.4305 57.4798 41.6293 179.0273 24 N 4.3238 8.8521 117.5574 56.5827 38.9070 176.5477 25 E 3.9105 8.4975 120.3554 59.6693 29.5457 179.1121 26 Q 3.9741 8.0482 117.7630 59.1691 28.9790 179.3807 27 R 3.7686 8.1375 119.2710 59.7163 29.8611 178.3172 28 T 3.8099 8.0059 114.2387 66.9118 68.6704 175.8537 29 Q 4.2929 8.4390 116.2317 55.0874 29.1828 175.9900 30 G 3.9193 7.6770 107.7882 46.6398 0.0000 173.6380 31 L 4.6000 8.4006 119.2088 53.6853 43.7602 177.1430 32 L 3.6871 8.5116 120.6806 55.8072 39.3723 173.9925 33 C 4.2814 7.4435 115.3573 59.2835 28.7677 173.3342 34 D 5.0705 8.5922 122.3242 53.0467 40.6747 175.6987 35 V 4.8169 7.4435 118.1035 60.5647 35.3324 173.3557 36 V 4.8900 8.8804 122.3063 61.3231 34.2075 174.3324 37 I 4.7895 8.8867 129.3937 60.5181 38.9694 174.4012 38 L 5.2962 9.0827 129.5042 53.4071 44.2661 175.2836 39 V 4.5989 9.1403 126.4357 61.8493 35.0377 175.0437 40 E 3.8540 10.0001 128.2265 57.5480 27.0058 176.0049 41 G 3.9854 8.3065 104.3162 45.5769 0.0000 173.4966 42 R 4.6459 8.1756 120.0226 54.6207 32.2959 175.0378 43 E 5.2073 8.7289 122.7639 55.0296 31.6786 175.9196 44 F 4.6997 9.5778 123.3418 54.6896 40.9952 171.8777 45 P 4.8636 0.0000 0.0000 62.9313 31.9825 175.7401 46 T 4.6101 9.0795 114.8689 61.0187 73.0256 171.4987 47 H 5.3417 8.9164 117.8433 53.7647 30.5268 176.3913 48 R 3.3012 9.7541 123.8170 59.2484 29.9707 179.4093 49 S 4.0821 7.8831 113.2519 61.4665 62.8151 176.5381 50 V 3.3772 7.6244 121.5908 65.3931 31.3219 177.5894 51 L 4.0268 7.7843 118.4597 58.0295 41.2821 179.5916 52 A 4.2595 8.3083 119.0698 54.9938 18.3587 179.1900 53 A 4.1708 7.9397 118.4995 54.0642 18.3227 177.7208 54 C 4.7907 7.9244 108.6315 57.5124 31.3043 173.4296 55 S 5.0748 8.2931 116.0542 56.0538 64.6098 174.3494 56 Q 4.0364 9.0567 128.9989 58.9829 28.6844 177.3258 57 Y 3.9258 7.8725 120.6239 60.9144 38.7724 178.4384 58 F 3.7730 8.1518 118.4573 59.9358 38.9247 177.7114 59 K 3.9729 8.2235 119.4825 59.3954 31.5876 178.8969 60 K 3.7965 7.9771 118.7391 59.4084 31.7670 178.8784 61 L 3.4724 7.1961 119.0566 57.9508 41.9607 178.4451 62 F 4.8763 7.7147 115.0495 58.4458 39.3025 177.0254 63 T 4.5979 7.5547 108.1127 61.6952 69.0128 174.7623 64 S 4.5257 7.5704 114.7454 59.5831 68.7114 175.0264 *70 Q 4.1070 7.7772 117.0976 54.4047 30.2697 175.3207 71 Q 4.4706 8.3216 118.4174 57.3818 32.0816 176.0552 72 N 4.9347 7.9976 114.5615 53.4228 41.9411 174.0304 73 V 4.9490 7.6503 117.8176 61.0991 33.9598 174.4675 74 Y 4.7418 9.1066 124.9935 56.2725 41.0067 174.5862 75 E 4.8987 9.0634 124.2061 55.8217 31.0033 176.0494 76 I 4.4831 8.4318 124.5666 59.5850 39.2934 175.2215 77 D 4.7477 8.9773 125.6595 52.9913 39.9660 176.5228 78 F 4.8629 7.2298 113.1734 56.6675 38.6839 175.4381 79 V 4.4612 6.7776 113.6751 58.7167 35.3363 176.0413 80 S 4.4122 8.3315 117.3146 58.1125 65.0768 175.1481 81 A 4.1071 9.7781 126.6200 55.7083 18.0737 180.3418 82 E 3.9832 8.1802 116.2732 59.5366 29.5893 179.2394 83 A 4.0454 8.7329 121.2749 54.9652 18.3319 179.4755 84 L 3.8658 8.1473 119.0229 58.4425 42.0266 179.2393 85 T 4.2342 8.3420 115.5807 66.8649 68.4841 176.4130 86 A 4.0781 7.9650 122.1614 55.2413 18.3441 179.7132 87 L 4.2173 8.4165 117.7682 57.9690 41.8245 179.6558 88 M 4.2784 9.0791 119.5209 58.4623 31.9975 178.1633 89 D 4.5126 8.5134 119.3758 57.5772 41.0490 178.8458 90 F 4.7121 8.7606 121.8379 60.8665 39.1847 176.7561 91 A 3.5239 8.1179 119.0464 55.0062 18.2587 178.3665 92 Y 4.2809 7.7964 111.5993 58.3735 38.6023 176.3008 93 T 4.4058 7.3081 107.0288 59.8282 70.3358 174.4476 94 A 3.5880 8.3786 123.8844 52.8859 16.9040 177.1647 95 T 4.6756 7.7588 114.5557 63.0434 71.9807 172.8631 96 L 4.8833 8.7402 128.2260 53.3978 43.1073 175.4033 97 T 4.4524 8.5091 117.4079 60.4671 69.8185 174.4933 98 V 4.4627 8.0181 124.6674 60.2118 34.3853 173.9557 99 S 4.6465 8.3152 116.6225 57.1014 64.6461 174.8920 100 T 3.8197 8.4209 114.3487 65.3466 66.7004 175.6947 101 A 3.8261 7.4958 121.3817 54.0828 18.7741 178.2224 102 N 5.2236 7.8977 114.9642 52.5077 39.1466 176.8919 103 V 3.6726 7.3073 121.1293 66.3456 31.5435 178.1146 104 G 3.5804 8.0564 104.5035 47.7751 0.0000 175.2245 105 D 4.3846 8.0255 120.6735 57.3834 40.9232 178.8032 106 I 3.7466 7.8519 120.3207 63.9638 37.0367 178.1054 107 L 3.8851 8.1101 121.4848 58.3209 41.7674 179.1778 108 S 4.0602 8.0815 114.6117 61.6764 62.8023 176.6507 109 A 3.9864 7.9576 123.0224 55.2032 18.0701 179.5929 110 A 3.9559 8.4822 119.6151 55.1901 18.2193 180.1551 111 R 3.8548 7.9904 116.9336 59.3849 29.9110 179.2137 112 L 3.9329 7.5059 118.0306 57.3012 42.0791 178.7034 113 L 4.1115 8.2409 117.2052 53.9488 43.0104 175.9054 114 E 3.9259 7.6435 118.7555 57.6869 27.3648 175.8007 115 I 5.0237 7.9820 120.3652 58.0382 37.0935 175.3003 116 P 4.1265 0.0000 0.0000 65.2628 31.0865 178.4245 117 A 3.9575 7.9097 120.4347 55.0966 18.3043 179.6207 118 V 3.3115 7.4574 116.2380 65.9577 31.6857 178.2368 119 S 4.0606 7.9695 114.9013 61.8821 62.6999 176.3859 120 H 4.2480 8.1374 118.7666 58.8654 28.4781 178.0508 121 V 3.5664 7.4520 119.7050 66.4015 31.5744 177.9109 122 C 4.1399 8.3693 116.5194 62.6741 27.5610 176.0522 123 A 4.0235 8.1487 122.5206 55.2371 17.7413 179.4392 124 D 4.3252 8.0018 116.5205 57.3747 40.9156 178.6355 125 L 4.1786 7.6700 118.5922 56.9229 41.7768 178.5411 126 L 4.1789 7.5619 117.0096 54.9569 41.9449 176.1976 127 D 4.8554 7.5448 122.8071 54.3438 42.7975 173.6688 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 8 I 8.01 3.98 1.88 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 1.35 1.35 0.91 0.00 0.00 9 G 8.68 3.46 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 0.00 0.00 0.00 0.00 10 I 8.16 3.84 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.61 0.54 0.00 0.00 11 P 0.00 4.68 0.00 2.15 2.04 0.00 3.57 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 1.88 1.94 0.00 12 F 8.49 4.57 0.00 3.10 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 13 P 0.00 4.45 0.00 2.05 2.12 0.00 3.63 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 2.01 2.05 0.00 14 D 7.98 4.72 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 8.47 4.18 0.00 3.37 3.47 0.00 5.84 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 16 S 8.09 4.13 0.00 4.05 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 17 S 7.97 4.12 0.00 4.06 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.21 4.30 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 19 I 7.96 3.59 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.82 0.83 0.00 0.00 20 L 7.98 3.88 0.00 1.79 1.73 0.74 0.63 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 21 S 8.38 4.22 0.00 4.03 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 22 G 8.15 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 4.08 0.00 1.88 1.78 0.78 0.29 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 24 N 8.85 4.32 0.00 3.15 3.01 0.00 0.00 7.19 7.59 0.00 0.00 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 E 8.50 3.91 0.00 2.27 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 2.33 2.48 0.00 26 Q 8.05 3.97 0.00 2.43 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 27 R 8.14 3.77 0.00 1.39 1.70 0.00 2.61 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.51 0.00 28 T 8.01 3.81 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 1.18 0.00 0.00 29 Q 8.44 4.29 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 30 G 7.68 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 0.00 0.00 0.00 31 L 8.40 4.60 0.00 1.65 1.56 0.91 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.51 3.69 0.00 1.83 1.76 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.44 4.28 0.00 3.01 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.59 5.07 0.00 2.71 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.44 4.82 1.84 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 0.65 0.00 0.00 1.20 0.00 0.00 36 V 8.88 4.89 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 1.07 0.00 0.00 0.96 0.00 0.00 37 I 8.89 4.79 1.77 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.62 0.94 0.00 0.00 38 L 9.08 5.30 0.00 1.82 1.59 1.02 0.75 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 39 V 9.14 4.60 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 0.98 0.00 0.00 0.78 0.00 0.00 40 E 10.00 3.85 0.00 2.14 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 2.25 2.30 0.00 41 G 8.31 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 42 R 8.18 4.65 0.00 2.04 1.77 0.00 3.12 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.82 0.00 43 E 8.73 5.21 0.00 1.85 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 2.31 2.37 0.00 44 F 9.58 4.70 0.00 2.78 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 45 P 0.00 4.86 0.00 1.88 1.98 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 46 T 9.08 4.61 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 47 H 8.92 5.34 0.00 3.09 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 9.75 3.30 0.00 1.56 1.60 0.00 2.88 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.95 0.00 49 S 7.88 4.08 0.00 4.01 4.09 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 50 V 7.62 3.38 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.68 0.00 0.00 51 L 7.78 4.03 0.00 1.87 1.29 0.44 0.86 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 52 A 8.31 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.94 4.17 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 54 C 7.92 4.79 0.00 3.23 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 55 S 8.29 5.07 0.00 4.12 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 0.00 56 Q 9.06 4.04 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 57 Y 7.87 3.93 0.00 3.14 2.81 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 58 F 8.15 3.77 0.00 3.19 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.22 3.97 0.00 2.15 1.80 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.52 7.81 60 K 7.98 3.80 0.00 1.76 1.68 0.00 1.81 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.46 7.81 61 L 7.20 3.47 0.00 0.82 0.88 0.85 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 62 F 7.71 4.88 0.00 3.04 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 63 T 7.55 4.60 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 1.26 0.00 0.00 64 S 7.57 4.53 0.00 3.77 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *70 Q 7.78 4.11 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.81 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 71 Q 8.32 4.47 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.88 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 72 N 8.00 4.93 0.00 2.83 2.75 0.00 0.00 6.58 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 73 V 7.65 4.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.95 0.00 0.00 74 Y 9.11 4.74 0.00 3.21 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 9.06 4.90 0.00 1.92 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 2.34 2.38 0.00 76 I 8.43 4.48 1.61 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 1.35 0.85 -0.23 0.00 0.00 77 D 8.98 4.75 0.00 2.77 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 78 F 7.23 4.86 0.00 2.99 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 79 V 6.78 4.46 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 0.57 0.00 0.00 0.60 0.00 0.00 80 S 8.33 4.41 0.00 4.30 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 81 A 9.78 4.11 1.50 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 82 E 8.18 3.98 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 83 A 8.73 4.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.15 3.87 0.00 1.67 1.39 0.90 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.34 4.23 4.52 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 1.28 0.00 0.00 86 A 7.97 4.08 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 87 L 8.42 4.22 0.00 1.84 1.87 0.96 1.18 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 88 M 9.08 4.28 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.68 0.00 89 D 8.51 4.51 0.00 3.02 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 90 F 8.76 4.71 0.00 3.19 3.36 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 91 A 8.12 3.52 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 92 Y 7.80 4.28 0.00 3.11 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 93 T 7.31 4.41 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 1.32 0.00 0.00 94 A 8.38 3.59 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 95 T 7.76 4.68 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 1.27 0.00 0.00 96 L 8.74 4.88 0.00 1.53 1.57 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.51 4.45 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 98 V 8.02 4.46 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 0.72 0.00 0.00 0.93 0.00 0.00 99 S 8.32 4.65 0.00 4.02 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 0.00 100 T 8.42 3.82 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 0.00 101 A 7.50 3.83 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 0.00 102 N 7.90 5.22 0.00 2.76 2.85 0.00 0.00 6.77 7.72 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 0.00 103 V 7.31 3.67 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 1.07 0.00 0.00 0.99 0.00 0.00 104 G 8.06 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 0.00 0.00 0.00 105 D 8.03 4.38 0.00 2.87 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 0.00 106 I 7.85 3.75 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 1.60 0.82 0.86 0.00 0.00 107 L 8.11 3.89 0.00 1.79 1.85 0.94 1.13 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 0.00 108 S 8.08 4.06 0.00 4.02 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 0.00 109 A 7.96 3.99 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 0.00 110 A 8.48 3.96 1.24 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 0.00 111 R 7.99 3.85 0.00 2.03 1.96 0.00 3.22 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 112 L 7.51 3.93 0.00 1.79 1.72 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.24 4.11 0.00 1.70 1.69 0.91 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.64 3.93 0.00 2.14 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 2.23 2.26 0.00 115 I 7.98 5.02 1.87 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.65 1.07 0.00 0.00 116 P 0.00 4.13 0.00 2.13 2.22 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 117 A 7.91 3.96 1.44 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 0.00 118 V 7.46 3.31 1.81 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 0.95 0.00 0.00 -0.17 0.00 0.00 119 S 7.97 4.06 0.00 3.83 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.14 4.25 0.00 3.15 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.45 3.57 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.95 0.00 0.00 122 C 8.37 4.14 0.00 3.01 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 0.00 123 A 8.15 4.02 1.39 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 0.00 0.00 124 D 8.00 4.33 0.00 2.91 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 0.00 125 L 7.67 4.18 0.00 1.79 1.72 0.91 1.01 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 0.00 126 L 7.56 4.18 0.00 1.65 1.71 0.94 0.86 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 0.00 127 D 7.54 4.86 0.00 2.78 2.81 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 * Residues marked with a * may have inaccurate shift predictions.