NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.8037 8.3393 109.7494 45.4719 0.0000 171.9703 *6 D 4.5728 7.3511 120.5302 53.4499 41.3844 176.8482 7 I 3.7909 7.6763 117.7107 64.9847 36.9339 178.1721 8 R 3.7859 8.0397 119.4259 59.8599 29.6991 178.1507 9 D 4.4022 8.3420 117.7877 57.4106 41.0030 178.3495 10 F 4.0641 8.7188 121.5236 61.3103 39.1815 177.2445 11 F 4.2229 9.4777 117.5609 60.4492 39.0470 177.1368 12 A 4.2382 8.6718 120.8758 55.4383 18.0181 179.3591 13 Q 3.8147 8.1643 116.9089 59.5820 29.0269 178.6451 14 S 4.5226 8.0030 114.7190 60.0307 63.2607 174.7684 15 A 4.2118 7.2820 124.1811 53.5920 18.7209 175.7941 16 G 3.6784 8.6846 106.4467 43.9670 0.0000 172.4238 17 R 5.1968 8.1385 117.4585 54.4164 32.3389 176.0234 18 W 5.5461 9.5917 122.4690 54.9671 34.1915 173.7241 19 F 5.0590 9.4130 125.3788 56.9124 40.8484 174.2552 20 S 4.9354 8.6019 121.3810 56.2939 64.9992 172.1584 21 Q 4.4564 8.6789 128.6539 54.2501 31.1978 173.8313 22 R 5.0787 8.6914 127.1602 54.8260 33.0726 174.5909 23 T 5.1742 8.8323 121.4860 61.9630 72.7819 173.0173 24 S 5.1194 9.2629 121.4529 57.0481 66.8523 172.5370 25 H 5.1820 9.4685 121.5724 54.6486 30.7520 174.5206 26 H 4.6686 8.7638 121.1199 54.1362 28.6487 175.6962 27 L 3.8078 8.6528 120.8449 58.1948 42.3268 179.8218 28 A 3.8310 8.1970 121.5999 55.4261 18.2820 178.3559 29 F 4.5366 8.4611 110.5774 56.4203 39.5867 175.8694 30 K 3.8543 7.7177 119.7199 58.2593 32.1364 172.9745 31 Q 4.8679 7.4379 117.8609 56.4845 32.7675 175.5037 32 T 4.8790 7.9222 109.9367 61.8508 70.2220 172.8142 33 E 4.8333 9.1320 126.3819 54.7508 32.8650 174.7735 34 S 5.2917 8.5384 117.9170 57.2255 66.9954 173.4870 35 G 4.1326 8.9369 106.0211 45.5449 0.0000 173.3802 36 K 4.8346 8.6444 123.4790 55.8829 34.0592 175.5942 37 S 4.7665 7.9586 114.1370 58.1252 66.6287 174.0824 38 Q 5.2357 8.6528 122.5273 54.1838 31.7361 174.6089 39 L 5.4230 9.0592 123.4695 53.8071 46.2873 175.2854 40 T 5.1477 9.3440 121.9378 62.1159 72.0628 172.9691 41 I 4.9648 9.1777 129.2508 59.5253 39.6355 174.6153 42 E 4.9285 8.7103 125.9859 54.0724 31.9084 175.2179 43 L 4.7164 8.7527 126.8912 54.9898 43.0965 175.7066 44 L 4.9810 8.7547 126.0495 52.9761 44.6447 176.3054 45 S 4.7792 8.4413 116.2239 57.1281 64.4475 175.3777 46 V 3.5744 8.3403 121.3448 66.0607 31.4460 177.2343 47 D 4.4339 8.1338 118.7834 56.8448 41.0489 176.9946 48 D 4.3592 8.1817 118.1009 54.3583 42.4071 175.8970 49 P 4.2859 0.0000 0.0000 65.8876 31.3779 178.5815 50 A 3.9813 8.9812 121.0480 54.9274 18.2084 179.6699 51 V 3.5213 7.7400 116.1707 66.2062 31.7655 177.7671 52 I 3.6673 7.5349 119.0609 64.5824 37.0445 177.9290 53 A 4.0197 8.1681 121.3164 55.3822 18.1287 179.4988 54 L 4.0547 7.9167 118.2490 58.6426 41.9397 178.5136 55 C 4.2056 8.1986 116.0834 63.0876 28.4292 175.7191 56 Q 4.1834 8.4073 119.0070 59.4102 27.8353 178.4654 57 Q 4.0215 8.0393 120.7021 59.2612 29.1466 177.2646 58 Y 4.4491 8.2642 114.9359 56.4230 38.7544 173.9272 59 D 4.1939 8.2628 123.5202 54.2577 39.4413 170.9561 *61 D 4.1741 7.9631 121.5571 52.7059 42.1998 174.4690 62 P 4.2991 0.0000 0.0000 64.9019 31.5243 177.6774 63 A 4.1234 7.7094 120.0702 53.3437 18.4651 178.1259 64 W 4.7302 8.1760 115.1115 57.6473 30.1918 176.9742 65 A 4.2054 7.5385 120.8476 52.6956 17.8659 177.4922 66 V 3.8198 7.8803 122.3794 64.1778 31.9939 174.9975 67 C 4.7833 7.1208 112.4697 58.5693 31.7722 171.8618 68 G 4.3350 8.0267 104.6231 46.0732 0.0000 171.1862 69 A 5.1818 8.5003 117.3797 51.0688 23.5065 175.8330 70 R 4.8683 8.8974 122.0102 54.7263 32.5606 174.6429 71 V 4.8689 8.8410 127.7685 61.5454 33.4131 174.6463 72 S 5.2042 9.0935 123.9619 56.5385 66.3949 173.2162 73 W 6.0753 7.4942 119.1871 54.4210 32.5880 173.1159 74 D 4.4276 8.5573 113.6261 54.1359 43.6497 174.0824 75 G 4.5270 7.7964 112.0641 43.7840 0.0000 173.0587 76 T 4.8143 7.8693 116.7594 60.5738 70.5391 172.0207 *84 H 4.7846 8.6165 118.2001 56.5581 31.3280 173.2915 85 E 4.6207 7.7628 121.0739 55.7939 31.9695 175.7855 86 G 3.3714 5.3800 105.2344 46.3262 0.0000 171.2819 87 S 4.6775 7.4922 113.9797 57.5322 65.3637 175.0395 88 T 5.1811 9.4900 120.6511 59.3690 71.6371 172.1661 89 V 4.9781 8.5452 124.1627 61.0588 34.8674 174.0076 90 L 5.3030 9.0465 126.9345 53.0070 45.3306 175.7816 91 V 4.6270 8.7658 122.7723 60.5132 34.4838 172.3552 92 P 4.9638 0.0000 0.0000 62.7451 32.9302 175.6528 93 I 4.6018 9.1368 125.2386 59.5076 41.0258 174.1729 *95 D 4.3561 8.3442 121.0484 53.9254 41.6476 174.6291 96 Q 3.9536 8.6968 119.1027 57.2249 28.8021 178.1884 97 G 4.0512 8.6860 114.3712 46.6410 0.0000 172.2885 98 S 4.7422 8.1347 110.2190 56.3853 66.3169 173.5591 99 R 4.5840 8.2214 124.6786 55.9331 30.8611 175.2214 *101 E 3.9924 8.1125 115.6955 55.3661 31.4424 176.8677 102 G 3.9705 5.3800 104.3163 45.9919 0.0000 171.2529 103 K 5.0034 8.1632 120.6034 54.4784 35.5981 175.3792 104 L 4.9094 9.1292 125.5909 53.3046 44.0695 175.7313 105 L 3.8513 8.9475 127.8598 54.1056 42.8077 176.1261 106 R 4.8305 8.3584 122.6768 53.8196 32.5694 175.4423 107 E 4.3758 8.6301 124.2040 56.9450 30.2780 176.0959 *118 G 3.7965 8.1308 103.6799 45.9071 0.0000 172.5711 119 R 5.2839 8.9094 120.3942 54.1520 32.5664 175.4434 120 F 5.4942 8.1445 116.8893 55.7309 41.8333 173.6582 121 S 4.3358 8.8066 113.1340 57.8350 66.4483 173.2094 *123 G 4.0526 8.4732 109.1898 44.8409 0.0000 173.7961 124 S 4.2086 8.7930 114.2961 61.3829 62.6650 175.5263 125 D 4.4281 8.0081 117.5880 53.9320 39.2415 176.6767 126 G 4.0010 8.7398 108.4647 45.8805 0.0000 172.7005 127 A 5.1957 7.8656 120.3350 49.7625 21.1854 176.8333 128 L 4.4750 8.4803 124.1241 54.3053 44.1059 175.4857 129 T 5.0675 8.9180 121.7174 61.7310 72.3170 172.7110 130 L 5.2843 9.1553 125.9971 53.0107 45.0462 175.6252 131 I 5.0293 9.0164 124.0112 59.7192 41.3771 174.4189 132 T 4.9994 8.4887 116.9602 59.7671 71.9552 172.7827 133 E 4.4586 8.6687 122.8269 55.8281 31.9979 173.3502 134 Y 4.4732 8.6176 123.5689 58.3463 38.1185 175.2977 135 E 4.5477 8.3347 119.6338 57.6635 32.3985 177.2925 136 T 4.3289 7.5778 108.3536 60.2987 71.5332 172.4429 137 I 4.4008 7.0796 124.3845 59.8571 39.3685 173.3322 138 Y 4.7792 8.4572 131.5719 55.7024 41.4127 174.1987 139 S 4.9082 7.9977 120.5651 56.3439 65.8324 172.0026 140 E 4.8925 8.9880 127.9165 54.4427 32.3585 173.8312 141 E 5.2105 9.2938 128.4026 54.3403 33.3459 174.6673 142 R 5.0820 9.2969 125.4339 54.8348 33.1592 173.6933 143 L 5.5552 8.7781 127.2571 53.1758 44.5216 175.7304 144 W 5.4234 8.8668 118.0098 55.8648 31.9827 173.0012 145 F 4.9411 9.1103 120.0063 56.4219 39.0569 175.9154 146 A 4.5514 8.9084 126.9802 53.1679 19.6864 176.5835 147 S 4.6753 7.5730 108.0947 56.7477 65.0026 173.9803 148 P 4.2357 0.0000 0.0000 64.7810 31.4016 177.1014 149 N 4.9253 8.5664 114.8112 52.4771 39.2388 173.4622 150 L 5.1753 8.6066 121.4359 53.7095 44.9107 174.6118 151 R 4.4094 8.9765 127.7686 54.2758 32.1684 174.8822 152 L 4.9898 8.2836 125.2496 51.8097 46.0103 175.6080 153 R 5.8213 7.5631 115.7945 55.8445 32.7916 173.9336 154 T 5.7920 9.0646 111.8679 59.6893 72.6957 172.5578 155 S 5.7627 8.3929 114.2081 58.5686 66.1746 173.5850 156 I 5.1009 8.2083 113.4559 59.1694 41.5253 173.5670 157 L 5.1325 8.6031 124.8997 53.3545 45.1060 174.6317 158 K 4.8086 9.1680 128.1826 54.8474 34.8246 175.1083 159 R 4.4528 9.0917 126.7914 55.4444 33.6961 174.8698 160 F 3.6921 8.0924 126.2007 58.8441 36.6791 176.1171 161 G 3.9144 8.6332 103.9255 45.7963 0.0000 173.2197 162 G 4.1765 7.4875 107.7390 43.4187 0.0000 172.9510 163 F 4.5318 8.7616 122.2243 57.5634 39.4519 175.2640 164 S 4.8160 9.6066 118.2807 58.3474 64.6716 172.9772 *166 A 4.4506 7.8151 122.1082 52.4574 19.9645 176.3272 167 S 5.1962 8.9317 117.1740 56.8436 68.0700 172.9171 168 F 5.4401 9.2325 123.3465 56.8994 43.3588 173.3350 169 C 4.9646 7.6133 120.9622 58.0307 32.6534 172.9459 170 S 4.6188 8.4369 119.2596 56.6134 65.1604 172.9787 171 E 5.5532 8.7795 123.8694 53.6276 32.6136 174.4647 172 I 5.0882 8.4550 125.3927 58.9453 40.3525 174.6840 173 R 3.2249 8.5535 130.3213 56.7994 29.8633 175.5497 174 L 4.1404 9.1987 128.3174 52.8592 41.4255 177.9141 175 G 3.8747 9.2799 108.1091 43.0709 0.0000 173.7144 176 V 3.5952 8.6586 126.2542 63.0026 32.4095 171.0051 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 4 G 8.34 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 0.00 0.00 0.00 *6 D 7.35 4.57 0.00 3.13 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 7 I 7.68 3.79 1.64 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.90 0.62 0.00 0.00 8 R 8.04 3.79 0.00 1.81 2.10 0.00 3.27 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 9 D 8.34 4.40 0.00 3.12 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 10 F 8.72 4.06 0.00 3.49 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 11 F 9.48 4.22 0.00 3.10 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 12 A 8.67 4.24 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 13 Q 8.16 3.81 0.00 1.83 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 14 S 8.00 4.52 0.00 4.05 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 15 A 7.28 4.21 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 16 G 8.68 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 0.00 0.00 0.00 17 R 8.14 5.20 0.00 1.67 1.83 0.00 3.07 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 1.66 1.63 0.00 18 W 9.59 5.55 0.00 3.12 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 19 F 9.41 5.06 0.00 3.17 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 20 S 8.60 4.94 0.00 3.69 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 21 Q 8.68 4.46 0.00 2.04 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 22 R 8.69 5.08 0.00 1.76 1.64 0.00 3.02 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 23 T 8.83 5.17 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 1.33 0.00 0.00 24 S 9.26 5.12 0.00 3.66 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 25 H 9.47 5.18 0.00 2.94 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.76 4.67 0.00 3.31 3.49 0.00 5.85 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.65 3.81 0.00 1.85 1.76 1.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.20 3.83 0.95 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 29 F 8.46 4.54 0.00 3.03 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 30 K 7.72 3.85 0.00 1.96 1.91 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.57 7.81 31 Q 7.44 4.87 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 32 T 7.92 4.88 4.17 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 1.20 0.00 0.00 33 E 9.13 4.83 0.00 2.05 2.01 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 2.32 2.30 0.00 34 S 8.54 5.29 0.00 3.76 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 35 G 8.94 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 36 K 8.64 4.83 0.00 1.77 1.91 0.00 1.96 0.00 0.00 2.08 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.53 7.81 37 S 7.96 4.77 0.00 3.88 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.65 5.24 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 39 L 9.06 5.42 0.00 1.78 1.60 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.34 5.15 4.30 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 1.26 0.00 0.00 41 I 9.18 4.96 2.25 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 1.31 1.11 0.93 0.00 0.00 42 E 8.71 4.93 0.00 2.09 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 2.35 2.26 0.00 43 L 8.75 4.72 0.00 1.80 1.69 1.08 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.75 4.98 0.00 1.68 1.57 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.44 4.78 0.00 4.01 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 46 V 8.34 3.57 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 0.87 0.00 0.00 1.00 0.00 0.00 47 D 8.13 4.43 0.00 2.71 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 48 D 8.18 4.36 0.00 2.75 2.66 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 49 P 0.00 4.29 0.00 2.31 2.31 0.00 3.77 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 2.09 2.04 0.00 50 A 8.98 3.98 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 51 V 7.74 3.52 2.26 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 1.15 0.00 0.00 0.98 0.00 0.00 52 I 7.53 3.67 2.00 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 1.46 0.69 0.91 0.00 0.00 53 A 8.17 4.02 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 54 L 7.92 4.05 0.00 2.08 1.72 0.99 1.03 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 55 C 8.20 4.21 0.00 3.20 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 56 Q 8.41 4.18 0.00 2.33 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.74 2.51 0.00 57 Q 8.04 4.02 0.00 2.45 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.33 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 58 Y 8.26 4.45 0.00 3.15 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 59 D 8.26 4.19 0.00 2.79 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 *61 D 7.96 4.17 0.00 2.04 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.16 2.08 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 63 A 7.71 4.12 1.01 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 64 W 8.18 4.73 0.00 3.58 3.05 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 0.00 0.00 0.00 0.00 65 A 7.54 4.21 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 66 V 7.88 3.82 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 0.79 0.00 0.00 1.01 0.00 0.00 67 C 7.12 4.78 0.00 2.93 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 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 0.00 0.00 0.00 0.00 69 A 8.50 5.18 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 70 R 8.90 4.87 0.00 1.93 1.84 0.00 3.25 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 71 V 8.84 4.87 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 1.10 0.00 0.00 0.93 0.00 0.00 72 S 9.09 5.20 0.00 3.79 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.49 6.08 0.00 3.39 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 74 D 8.56 4.43 0.00 2.67 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.80 4.53 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 0.00 0.00 0.00 76 T 7.87 4.81 4.30 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 1.24 0.00 0.00 *84 H 8.62 4.78 0.00 3.38 3.33 0.00 5.95 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.76 4.62 0.00 1.85 1.85 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 2.04 2.22 0.00 86 G 5.38 3.37 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 0.00 87 S 7.49 4.68 0.00 3.59 3.52 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 88 T 9.49 5.18 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 1.41 0.00 0.00 89 V 8.55 4.98 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 1.09 0.00 0.00 1.03 0.00 0.00 90 L 9.05 5.30 0.00 1.70 1.62 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.77 4.63 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 0.89 0.00 0.00 0.96 0.00 0.00 92 P 0.00 4.96 0.00 1.70 1.54 0.00 3.76 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.02 0.00 93 I 9.14 4.60 1.89 0.00 0.00 1.00 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 1.03 0.82 0.00 0.00 *95 D 8.34 4.36 0.00 2.75 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 96 Q 8.70 3.95 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 97 G 8.69 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.13 4.74 0.00 3.76 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 99 R 8.22 4.58 0.00 1.95 1.90 0.00 3.28 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 *101 E 8.11 3.99 0.00 1.81 1.67 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 2.10 2.25 0.00 102 G 5.38 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 0.00 0.00 0.00 0.00 103 K 8.16 5.00 0.00 1.65 1.69 0.00 1.62 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.26 7.81 104 L 9.13 4.91 0.00 1.79 1.65 0.99 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.95 3.85 0.00 1.55 1.02 0.79 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.36 4.83 0.00 1.77 1.90 0.00 3.25 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 107 E 8.63 4.38 0.00 2.21 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 0.00 2.37 2.35 0.00 *118 G 8.13 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 0.00 0.00 0.00 119 R 8.91 5.28 0.00 1.68 1.72 0.00 3.01 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 120 F 8.14 5.49 0.00 3.09 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 0.00 121 S 8.81 4.34 0.00 3.85 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 *123 G 8.47 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.79 4.21 0.00 4.01 4.05 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 0.00 0.00 0.00 0.00 125 D 8.01 4.43 0.00 2.81 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 0.00 126 G 8.74 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 0.00 0.00 0.00 127 A 7.87 5.20 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 0.00 128 L 8.48 4.47 0.00 0.67 0.62 0.86 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.92 5.07 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 1.25 0.00 0.00 130 L 9.16 5.28 0.00 1.46 1.52 0.84 0.65 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 0.00 131 I 9.02 5.03 1.83 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 1.20 0.66 0.69 0.00 0.00 132 T 8.49 5.00 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 1.20 0.00 0.00 133 E 8.67 4.46 0.00 2.00 1.89 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 2.21 2.40 0.00 134 Y 8.62 4.47 0.00 2.96 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 0.00 135 E 8.33 4.55 0.00 2.03 2.01 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 2.12 2.21 0.00 136 T 7.58 4.33 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 1.16 0.00 0.00 137 I 7.08 4.40 1.58 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.10 0.73 0.00 0.00 138 Y 8.46 4.78 0.00 3.02 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 0.00 139 S 8.00 4.91 0.00 3.66 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 0.00 140 E 8.99 4.89 0.00 2.13 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 0.00 2.23 2.25 0.00 141 E 9.29 5.21 0.00 1.96 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 0.00 2.15 2.29 0.00 142 R 9.30 5.08 0.00 1.84 1.82 0.00 2.94 0.00 0.00 2.87 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 143 L 8.78 5.56 0.00 1.62 1.57 0.82 0.77 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 0.00 144 W 8.87 5.42 0.00 3.49 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 0.00 145 F 9.11 4.94 0.00 2.98 3.17 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 0.00 146 A 8.91 4.55 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 0.00 147 S 7.57 4.68 0.00 3.88 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 0.00 148 P 0.00 4.24 0.00 2.06 2.02 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 149 N 8.57 4.93 0.00 2.75 2.73 0.00 0.00 6.19 6.31 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 0.00 150 L 8.61 5.18 0.00 1.75 1.54 0.96 0.91 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 0.00 151 R 8.98 4.41 0.00 0.86 0.98 0.00 2.23 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.50 0.00 152 L 8.28 4.99 0.00 0.27 0.49 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 153 R 7.56 5.82 0.00 1.79 1.80 0.00 2.87 0.00 0.00 3.18 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.14 0.00 154 T 9.06 5.79 4.40 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 1.71 0.00 0.00 155 S 8.39 5.76 0.00 3.85 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 0.00 156 I 8.21 5.10 2.09 0.00 0.00 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 1.38 0.94 0.91 0.00 0.00 157 L 8.60 5.13 0.00 1.69 1.57 0.88 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 158 K 9.17 4.81 0.00 1.57 1.52 0.00 0.80 0.00 0.00 1.18 0.00 0.00 2.47 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.99 0.52 7.81 159 R 9.09 4.45 0.00 1.81 1.81 0.00 3.71 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.46 0.00 160 F 8.09 3.69 0.00 3.40 3.08 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 0.00 0.00 0.00 161 G 8.63 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 0.00 0.00 0.00 162 G 7.49 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 0.00 0.00 0.00 0.00 163 F 8.76 4.53 0.00 3.11 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 0.00 164 S 9.61 4.82 0.00 3.98 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 *166 A 7.82 4.45 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 0.00 167 S 8.93 5.20 0.00 3.73 3.76 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 0.00 168 F 9.23 5.44 0.00 3.03 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 0.00 169 C 7.61 4.96 0.00 2.46 2.37 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 0.00 170 S 8.44 4.62 0.00 3.66 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 0.00 171 E 8.78 5.55 0.00 1.53 1.66 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 1.94 1.69 0.00 172 I 8.45 5.09 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 2.03 1.13 0.00 0.00 173 R 8.55 3.22 0.00 0.98 1.46 0.00 3.10 0.00 0.00 2.86 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 174 L 9.20 4.14 0.00 1.48 1.54 0.98 0.25 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 0.00 175 G 9.28 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 0.00 0.00 0.00 176 V 8.66 3.60 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 0.72 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.