NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 4.5182 8.0501 120.4585 61.8014 32.8460 174.3304 10 A 4.7705 8.7546 124.6272 48.7294 22.8863 173.2875 11 T 5.1341 8.7121 109.6367 59.9828 72.4921 171.3024 12 D 4.7528 9.3020 124.9554 52.8664 44.8511 176.2225 13 K 4.9826 8.7593 130.3588 55.0336 33.1152 173.3861 14 S 4.7800 9.2766 114.0657 58.6647 64.5179 172.7017 15 E 5.2164 8.2110 119.0714 54.8960 31.9495 175.3295 16 A 4.3789 8.7143 125.6096 50.7099 21.5274 175.7695 17 K 4.7967 8.8033 122.4641 54.4668 34.4989 175.3957 18 V 4.7871 8.0817 126.8071 60.0656 34.7062 174.7270 19 T 4.9120 8.5110 119.6418 61.8986 72.2726 173.2847 20 V 4.2636 8.8369 128.4073 61.5326 32.2584 174.7155 21 L 4.5498 8.8645 129.3836 54.5124 43.1774 177.5085 22 G 3.7945 9.3323 110.4078 46.6166 0.0000 173.2912 23 I 4.3502 9.5713 122.9370 60.7014 38.6842 176.6470 24 S 4.3511 9.0967 125.6501 59.2796 62.5246 171.7478 25 D 4.8185 8.7558 129.6009 53.6761 37.9915 175.7516 26 K 4.7047 7.8754 122.2032 51.3046 36.2960 174.5773 27 P 4.1997 0.0000 0.0000 64.6423 31.5144 176.8404 28 G 3.9406 9.0482 110.3806 46.2299 0.0000 173.9727 29 E 4.3071 8.0415 121.3630 58.3050 30.0739 177.9208 30 A 4.0291 8.0824 120.1402 55.1144 18.2431 178.9118 31 A 4.0824 8.3573 121.1497 56.2272 18.2364 180.1608 32 K 4.0365 7.6857 120.4822 60.2915 31.5356 180.8274 33 V 3.5232 7.5468 118.9748 65.9462 31.4073 178.1742 34 F 4.0662 7.7199 116.5527 59.5527 38.9250 177.5586 35 R 3.8888 8.9672 119.9947 59.6958 29.6557 178.2689 36 A 4.0477 7.7987 119.9868 55.1379 18.3821 179.6786 37 L 4.0136 7.6307 117.2734 57.6987 41.7366 179.1741 38 A 3.9956 8.5925 121.0644 55.7099 18.1314 179.3867 39 D 4.5906 8.0025 115.3257 57.3114 40.9252 178.2308 40 A 4.3091 7.3629 117.1689 51.2307 18.5309 176.5311 41 E 3.5834 8.5021 120.2255 58.0204 28.6879 175.1812 42 I 4.2894 7.4065 115.1243 57.5496 35.6276 177.4935 43 N 4.6424 8.6370 125.5842 52.5103 39.5821 174.1624 44 I 4.3781 8.1672 125.3498 61.4821 39.5817 173.3982 45 D 4.5496 8.9504 123.6249 55.1955 42.5149 177.4806 46 M 4.4661 6.0188 114.8172 55.4458 34.4175 176.6059 47 V 5.1830 8.0808 120.1532 61.7285 34.8553 173.8708 48 L 5.0128 9.4307 126.7321 53.0265 46.1839 175.0697 49 Q 5.0099 8.2382 121.0989 54.2050 31.0640 174.3887 50 N 4.0607 8.5482 120.6003 53.1854 38.3691 176.4786 51 V 3.7729 8.6878 118.0924 64.1000 31.9303 176.3942 52 F 4.7005 7.7996 118.1614 57.4292 40.3263 172.8465 53 S 3.9871 7.8800 124.7141 56.2667 64.0993 174.6557 *58 T 4.4237 8.0872 113.7999 62.9900 69.8247 169.1274 59 T 4.5802 9.2473 117.3565 61.6232 71.5105 171.6667 60 D 5.3634 8.6067 119.3383 52.7565 45.5207 175.0534 61 I 5.1182 8.3673 119.9925 60.0174 41.7926 174.5466 62 T 5.3172 8.9954 121.7962 61.8059 71.9749 173.1125 63 F 5.7039 9.2629 119.7407 55.4533 42.1376 173.5012 64 T 5.1680 8.7237 109.7149 60.5221 72.0577 172.5905 65 C 5.0664 8.5050 116.3780 56.5437 34.0996 171.3068 66 P 4.7887 0.0000 0.0000 62.8609 31.6706 177.5564 67 R 4.0557 9.1499 125.5074 60.5696 29.8549 179.8391 68 S 4.3246 8.1929 116.1250 63.0979 62.1700 177.0465 69 D 5.1668 7.9839 119.2736 54.1983 40.9982 178.7065 70 G 3.9018 8.5544 111.1199 47.3370 0.0000 176.4749 71 R 3.2295 7.7279 121.0054 58.8546 30.2232 178.2758 72 R 3.8382 7.9754 117.8234 59.2458 29.8599 178.1789 73 A 4.0508 7.8157 120.6294 55.4041 18.5051 179.1500 74 M 3.9883 7.8022 116.2644 58.8234 32.0423 177.9241 75 E 3.9010 8.1999 118.4519 59.3700 29.7498 178.4542 76 I 3.8827 7.8194 119.7081 64.6269 36.8776 178.5073 77 L 4.3587 8.0382 122.0826 58.2198 41.4763 180.2726 78 K 3.9603 8.2394 123.6484 59.0998 31.6672 182.5217 79 K 4.1639 7.8774 118.9370 59.4194 31.9242 178.1826 80 L 4.4029 7.6544 117.4234 56.0006 41.5373 177.5576 81 Q 3.8881 7.1669 121.5348 59.7492 29.7585 178.0573 82 V 3.8961 7.6879 122.7486 65.1201 31.5783 179.0130 83 Q 4.5926 7.4620 114.3698 54.4787 29.3769 178.4623 *86 W 5.0717 8.0985 114.8037 57.4982 29.3405 175.2668 87 T 4.3031 8.7198 108.1987 64.0659 69.0400 174.6320 88 N 5.3014 8.5070 119.8463 51.4062 43.1151 173.2574 89 V 4.9077 8.1363 116.5815 59.7078 34.7754 175.1883 90 L 4.9262 8.9139 125.0208 53.3102 45.0539 174.7375 91 Y 5.1470 8.0388 119.8726 56.5793 43.0222 173.5415 92 D 4.2668 7.1326 121.0272 53.5141 44.8074 174.9727 93 D 4.7372 8.5817 124.7799 52.3985 40.7045 176.2014 94 Q 4.7913 8.0299 120.3782 56.1900 29.4510 174.7714 95 V 4.5559 7.8345 117.1757 61.1388 33.3724 174.8961 96 G 4.2236 9.2690 114.6677 44.2891 0.0000 171.8488 97 K 5.2081 8.9802 125.2692 54.4058 34.2451 175.2065 98 V 5.0422 8.4824 126.9414 60.2124 34.6411 174.9223 99 S 5.2524 8.9423 117.5540 57.0151 67.9318 172.6101 100 L 5.0248 8.9673 125.6787 53.4311 43.9102 175.4270 101 V 4.3647 9.5773 125.9339 60.4275 33.1959 175.4436 102 G 4.2752 8.5385 116.3404 46.6315 0.0000 174.5128 *110 G 3.9214 7.5348 111.1323 45.3967 0.0000 175.8275 111 V 3.6673 7.7365 118.9679 65.7816 31.8820 180.5830 112 T 4.0533 7.9719 115.6137 66.3284 68.3243 176.2228 113 A 4.0205 8.0123 121.9083 55.4551 18.4857 179.3447 114 E 4.0432 8.5499 117.2770 59.4052 29.1652 179.2499 115 F 3.9268 8.3953 120.6756 61.6235 39.0712 177.0406 116 M 4.2407 8.3138 117.9707 58.7727 31.3798 178.7896 117 E 3.9851 8.8808 118.5473 59.1478 29.0432 179.3875 118 A 3.9574 8.4060 121.5653 55.0517 18.4431 179.5387 119 L 3.6601 7.5368 115.9404 56.8632 41.6063 179.1355 120 R 4.3074 7.6363 115.2564 57.8636 29.6016 178.4379 121 D 4.3050 7.5897 118.8602 57.2700 40.9314 177.4701 122 V 3.9866 7.2695 109.5485 60.6693 31.5714 175.5796 123 N 4.1219 7.4325 116.1827 54.3339 36.3576 174.4249 124 V 4.1694 7.9996 117.4065 61.0438 33.0015 174.2659 125 N 4.5868 8.5871 126.1647 52.7388 39.5091 174.1633 126 I 4.0763 8.3097 127.0281 61.3744 38.0447 174.9321 127 E 4.4192 9.0483 125.5263 57.8168 30.5392 176.2405 128 L 4.8315 7.8040 120.6003 53.1202 45.2971 174.5818 129 I 4.9291 8.3035 125.5885 59.6927 40.4145 175.2983 130 S 4.5432 9.0355 121.5815 57.6321 65.3581 172.9077 131 T 5.1558 8.4732 116.7974 60.1461 72.2440 172.9431 132 S 4.7248 8.6141 116.1635 56.7326 66.0393 174.1631 133 E 4.2569 8.7599 118.1935 57.9323 29.5595 177.4546 134 I 4.4659 7.3029 110.7044 59.4708 38.8719 174.8695 135 R 4.7921 7.4779 118.4610 55.7317 34.2442 173.4397 136 I 4.3547 8.7925 127.7936 59.8990 38.8283 174.4946 137 S 5.2088 8.4348 123.9108 57.1333 65.2941 174.1673 138 V 5.0072 8.8944 115.6948 59.9527 36.6337 173.8038 139 L 5.2619 9.0994 122.7575 53.3396 44.4255 175.8546 140 I 5.0551 8.7531 122.8396 59.2613 42.6314 174.8935 141 R 4.1745 8.4839 122.3502 56.2113 30.6021 177.6355 142 E 3.9081 9.0971 123.8651 59.5502 29.9552 178.5983 143 D 4.3762 8.4830 119.6568 58.3146 40.8027 177.9640 144 D 4.8597 7.7749 115.0812 53.3785 40.1512 179.4703 145 L 4.2390 7.8030 123.5434 58.9104 42.2429 179.6072 146 D 4.2542 8.1251 117.9056 57.0246 41.0305 176.7119 147 A 4.3473 7.6572 119.9136 52.6759 18.9316 174.9940 148 A 3.7713 8.2347 123.7528 53.2542 17.3181 180.0303 149 A 3.9764 7.8563 118.8369 55.8272 18.6642 180.6194 150 R 4.0652 7.9164 118.0686 61.6252 29.3640 180.6488 151 A 4.1623 7.9709 120.0835 55.2579 18.3363 179.4082 152 L 3.9434 8.2256 116.2304 57.5752 41.6778 177.6403 153 H 4.5738 7.6746 120.2786 55.9893 28.8988 174.9260 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 9 V 8.05 4.52 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 0.85 0.00 0.00 0.89 0.00 0.00 10 A 8.75 4.77 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 11 T 8.71 5.13 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 1.22 0.00 0.00 12 D 9.30 4.75 0.00 2.68 2.49 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 13 K 8.76 4.98 0.00 1.53 1.60 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.72 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 0.96 7.81 14 S 9.28 4.78 0.00 3.81 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.21 5.22 0.00 1.82 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 0.00 2.21 2.28 0.00 16 A 8.71 4.38 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 17 K 8.80 4.80 0.00 1.63 1.58 0.00 1.50 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.19 1.21 7.81 18 V 8.08 4.79 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 -0.07 0.00 0.00 0.88 0.00 0.00 19 T 8.51 4.91 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 1.22 0.00 0.00 20 V 8.84 4.26 1.68 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 -0.20 0.00 0.00 0.70 0.00 0.00 21 L 8.86 4.55 0.00 1.76 1.58 0.93 1.16 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 22 G 9.33 3.79 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 0.00 0.00 0.00 23 I 9.57 4.35 1.89 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.74 0.91 0.00 0.00 24 S 9.10 4.35 0.00 3.39 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.76 4.82 0.00 2.65 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 26 K 7.88 4.70 0.00 1.66 1.57 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.34 1.02 7.81 27 P 0.00 4.20 0.00 2.04 2.07 0.00 3.69 0.00 0.00 3.67 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 28 G 9.05 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 29 E 8.04 4.31 0.00 2.32 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 2.55 2.59 0.00 30 A 8.08 4.03 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 31 A 8.36 4.08 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 32 K 7.69 4.04 0.00 1.82 1.88 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.36 7.81 33 V 7.55 3.52 1.47 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 -0.04 0.00 0.00 0.07 0.00 0.00 34 F 7.72 4.07 0.00 3.05 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 35 R 8.97 3.89 0.00 1.96 2.10 0.00 3.28 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 36 A 7.80 4.05 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 37 L 7.63 4.01 0.00 1.80 1.73 -0.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.59 4.00 1.42 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 39 D 8.00 4.59 0.00 2.69 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 40 A 7.36 4.31 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 41 E 8.50 3.58 0.00 2.05 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 2.24 2.39 0.00 42 I 7.41 4.29 1.87 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 1.18 0.87 0.91 0.00 0.00 43 N 8.64 4.64 0.00 2.70 2.78 0.00 0.00 7.12 7.94 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 44 I 8.17 4.38 1.87 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.85 0.99 0.00 0.00 45 D 8.95 4.55 0.00 2.70 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 46 M 6.02 4.47 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 47 V 8.08 5.18 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 0.90 0.00 0.00 0.76 0.00 0.00 48 L 9.43 5.01 0.00 1.62 1.50 0.94 0.67 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 49 Q 8.24 5.01 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.51 0.00 50 N 8.55 4.06 0.00 2.73 2.74 0.00 0.00 7.04 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.69 3.77 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 0.69 0.00 0.00 1.02 0.00 0.00 52 F 7.80 4.70 0.00 2.84 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 53 S 7.88 3.99 0.00 3.61 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *58 T 8.09 4.42 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 59 T 9.25 4.58 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 60 D 8.61 5.36 0.00 2.57 2.46 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 61 I 8.37 5.12 1.80 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 1.35 0.73 1.14 0.00 0.00 62 T 9.00 5.32 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 1.20 0.00 0.00 63 F 9.26 5.70 0.00 3.39 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 64 T 8.72 5.17 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 1.19 0.00 0.00 65 C 8.51 5.07 0.00 3.16 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 66 P 0.00 4.79 0.00 2.42 2.06 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 67 R 9.15 4.06 0.00 1.88 2.06 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 68 S 8.19 4.32 0.00 3.70 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 69 D 7.98 5.17 0.00 2.86 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 70 G 8.55 3.90 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 0.00 0.00 0.00 71 R 7.73 3.23 0.00 1.76 1.79 0.00 2.92 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 72 R 7.98 3.84 0.00 1.91 1.93 0.00 3.25 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 73 A 7.82 4.05 1.61 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 74 M 7.80 3.99 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 75 E 8.20 3.90 0.00 2.05 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 2.31 2.39 0.00 76 I 7.82 3.88 2.14 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 1.55 0.57 0.96 0.00 0.00 77 L 8.04 4.36 0.00 1.94 1.92 0.96 1.30 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 78 K 8.24 3.96 0.00 1.79 1.82 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.31 7.81 79 K 7.88 4.16 0.00 1.87 2.04 0.00 1.45 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 80 L 7.65 4.40 0.00 1.47 1.58 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.17 3.89 0.00 2.42 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 7.03 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 82 V 7.69 3.90 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 0.76 0.00 0.00 0.93 0.00 0.00 83 Q 7.46 4.59 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.47 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 *86 W 8.10 5.07 0.00 3.60 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 87 T 8.72 4.30 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 1.26 0.00 0.00 88 N 8.51 5.30 0.00 2.85 2.66 0.00 0.00 7.04 7.58 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 89 V 8.14 4.91 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.00 0.00 0.00 90 L 8.91 4.93 0.00 1.56 1.55 0.92 0.80 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 91 Y 8.04 5.15 0.00 2.97 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 92 D 7.13 4.27 0.00 2.67 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 0.00 0.00 0.00 93 D 8.58 4.74 0.00 2.64 2.52 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 94 Q 8.03 4.79 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 95 V 7.83 4.56 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 0.79 0.00 0.00 0.88 0.00 0.00 96 G 9.27 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 0.00 0.00 0.00 0.00 97 K 8.98 5.21 0.00 1.82 1.68 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.36 7.81 98 V 8.48 5.04 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 0.97 0.00 0.00 1.04 0.00 0.00 99 S 8.94 5.25 0.00 3.78 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.97 5.02 0.00 2.07 1.58 1.16 0.79 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 0.00 101 V 9.58 4.36 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.96 0.00 0.00 102 G 8.54 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 0.00 0.00 0.00 *110 G 7.53 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 0.00 111 V 7.74 3.67 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 0.85 0.00 0.00 0.93 0.00 0.00 112 T 7.97 4.05 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 1.19 0.00 0.00 113 A 8.01 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.55 4.04 0.00 2.18 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 0.00 2.34 2.34 0.00 115 F 8.40 3.93 0.00 3.28 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 0.00 116 M 8.31 4.24 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 3.07 0.00 117 E 8.88 3.99 0.00 1.96 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 2.33 2.44 0.00 118 A 8.41 3.96 1.19 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 0.00 119 L 7.54 3.66 0.00 1.69 1.66 0.26 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 120 R 7.64 4.31 0.00 2.07 2.17 0.00 2.81 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.86 0.00 121 D 7.59 4.31 0.00 2.81 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 0.00 122 V 7.27 3.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 1.00 0.00 0.00 123 N 7.43 4.12 0.00 2.79 2.88 0.00 0.00 6.73 7.79 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 0.00 124 V 8.00 4.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.90 0.00 0.00 125 N 8.59 4.59 0.00 2.70 2.70 0.00 0.00 7.24 7.94 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 0.00 126 I 8.31 4.08 1.91 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 1.54 0.59 0.96 0.00 0.00 127 E 9.05 4.42 0.00 1.94 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 2.24 0.00 128 L 7.80 4.83 0.00 1.67 1.46 0.92 0.93 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 0.00 129 I 8.30 4.93 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.80 0.85 0.00 0.00 130 S 9.04 4.54 0.00 3.82 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 0.00 131 T 8.47 5.16 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 0.00 132 S 8.61 4.72 0.00 3.93 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 0.00 133 E 8.76 4.26 0.00 1.96 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 2.29 2.27 0.00 134 I 7.30 4.47 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.35 0.90 0.00 0.00 135 R 7.48 4.79 0.00 1.88 1.70 0.00 3.02 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 136 I 8.79 4.35 1.25 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.43 -0.38 0.00 0.00 137 S 8.43 5.21 0.00 3.95 3.73 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 0.00 138 V 8.89 5.01 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 0.88 0.00 0.00 1.22 0.00 0.00 139 L 9.10 5.26 0.00 1.51 1.52 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.75 5.06 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.76 0.91 0.00 0.00 141 R 8.48 4.17 0.00 1.82 1.84 0.00 3.29 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.55 0.00 142 E 9.10 3.91 0.00 1.99 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 2.30 2.29 0.00 143 D 8.48 4.38 0.00 2.67 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 0.00 144 D 7.77 4.86 0.00 2.72 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.80 4.24 0.00 1.77 1.73 0.97 1.04 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 0.00 146 D 8.13 4.25 0.00 2.78 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 0.00 147 A 7.66 4.35 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 0.00 148 A 8.23 3.77 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 0.00 149 A 7.86 3.98 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 0.00 150 R 7.92 4.07 0.00 1.87 1.95 0.00 3.29 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 151 A 7.97 4.16 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 0.00 152 L 8.23 3.94 0.00 1.52 1.58 0.53 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 153 H 7.67 4.57 0.00 3.07 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.98 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.