NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.1509 8.3649 120.1986 52.9350 40.5575 174.3007 6 F 4.9016 8.0301 120.7699 54.4890 42.6710 171.8457 7 E 3.9008 9.0765 122.4225 59.2370 30.4146 172.1474 8 E 4.0866 9.1150 126.9585 55.4360 30.3692 173.3380 9 K 4.5437 8.8438 126.6172 55.1505 35.6130 174.1999 10 M 4.7824 8.5009 123.6966 53.9652 32.6858 176.1042 11 I 3.9468 8.1922 125.6219 63.7304 37.7215 175.7836 12 L 4.7388 7.4582 117.9551 55.0245 44.2565 175.5839 13 I 5.4542 8.5056 120.1635 61.6223 39.4100 174.1899 14 R 4.7884 8.7113 123.8141 54.3705 32.5743 174.8634 15 R 5.1173 8.5632 120.5021 55.1606 32.2455 174.8579 16 T 4.9441 8.5057 114.0773 60.3843 72.9872 171.8579 17 A 5.0670 8.2189 121.9058 50.8642 22.3464 175.3733 18 R 4.6598 8.4487 114.4235 54.8631 33.2474 174.6159 19 M 4.5464 8.1399 119.0835 53.7000 34.7157 175.4981 20 Q 4.4547 8.1217 118.3150 56.1980 32.9390 171.8010 21 A 4.1113 7.9683 130.6801 50.9234 17.3445 175.8022 22 G 3.9707 9.1160 118.7537 45.5582 0.0000 171.2078 23 G 3.8357 7.8534 108.5628 43.9261 0.0000 172.9116 24 R 4.6479 7.6847 114.3037 54.9475 31.0495 176.2822 25 R 4.3396 7.7910 118.2143 54.4473 33.8428 174.3948 26 F 5.6136 8.9920 124.9329 57.3951 41.2835 175.0465 27 R 4.3788 7.1669 126.6093 57.4632 32.9420 173.5733 28 F 5.4866 8.6077 120.4700 55.6110 43.5245 174.2837 29 G 4.4636 9.2660 108.2372 44.4548 0.0000 172.2440 30 A 5.1594 8.5756 124.9682 50.2040 22.3763 174.8157 31 L 5.1594 8.6830 124.3947 54.4154 43.5996 175.5080 32 V 4.6125 8.7614 126.3981 61.0029 35.1563 174.2108 33 V 5.2846 8.7645 125.3678 60.1189 34.5590 174.6402 34 V 4.7458 8.0282 125.7307 60.1977 34.9560 174.3971 35 G 4.2427 8.4771 108.4504 45.6466 0.0000 172.7406 36 D 4.8494 8.5769 117.9259 52.8462 39.7323 176.9945 37 R 3.8636 7.8117 115.8377 57.4167 28.6308 177.1712 38 Q 4.5286 8.2210 110.4223 55.0839 30.6675 175.6439 39 G 3.9119 10.2031 105.5988 45.5852 0.0000 172.6924 40 R 5.1177 7.8303 119.1213 54.9489 34.3363 174.6239 41 V 4.8492 8.3850 116.3517 59.6706 37.0771 174.1638 42 G 4.7028 8.9195 108.0339 43.7212 0.0000 171.6351 43 L 5.1112 8.3435 121.4004 53.7920 44.9649 175.1281 44 G 4.2318 9.3794 113.9599 44.5829 0.0000 170.8940 45 F 5.2784 9.3177 129.3841 57.1728 40.0373 174.7146 46 G 4.1512 9.6512 115.2706 44.4212 0.0000 171.3270 47 K 5.6517 8.4345 122.4362 53.7905 35.0163 175.2422 48 A 4.6507 8.3388 123.4688 50.4917 22.3322 175.3533 49 P 4.5057 0.0000 0.0000 64.1934 31.7503 176.2628 50 E 4.6594 7.8187 118.5175 54.2896 33.0915 175.9664 51 V 3.2630 7.7225 124.1513 65.3522 32.1820 176.4283 52 P 4.0738 0.0000 0.0000 65.7826 30.6770 177.5518 53 L 3.9957 7.5930 119.0308 56.5552 41.6324 179.2096 54 A 4.2033 8.5601 120.0487 55.0502 19.0534 179.9154 55 V 3.2948 8.2082 117.1876 65.9826 31.3551 178.1068 56 Q 3.9586 7.8076 118.8398 58.6805 28.4749 177.8640 57 K 4.0332 9.0122 121.6479 59.5083 32.3047 178.3180 58 A 4.5993 8.9987 122.4991 55.6571 18.0304 179.6526 59 G 3.9223 7.9312 102.5276 48.8390 0.0000 173.7564 60 Y 4.2712 9.5816 122.9209 58.9618 38.2528 176.4240 61 Y 3.9093 7.1532 116.7849 61.1707 39.0555 178.9157 62 A 3.9615 8.6661 123.1153 55.6449 18.8818 178.3851 63 R 4.3642 8.0589 114.4231 54.1539 28.9099 174.8061 64 R 4.2749 7.3246 123.1728 56.4436 37.7400 175.1102 65 N 4.6327 5.7700 118.3215 54.3849 38.0694 173.3056 66 M 5.9311 8.0335 121.8535 52.3705 36.7615 174.0223 67 V 4.5268 7.7462 116.9802 60.4646 34.7498 172.6868 68 E 4.0947 8.7737 120.6488 56.7407 29.9970 177.2443 69 V 4.2918 8.4235 125.6938 59.3969 31.2940 170.7502 70 P 4.1972 0.0000 0.0000 62.5883 30.4481 176.9850 71 L 4.5316 7.8971 124.0133 53.9872 41.9383 177.7518 72 Q 4.5558 8.3307 111.3716 56.5154 30.7541 173.5647 73 N 4.2653 8.9723 124.3023 54.6319 36.7063 174.1194 74 G 3.9755 8.4934 100.5144 46.3923 0.0000 173.3334 75 T 4.3874 7.2413 115.5465 61.0055 69.3281 172.1457 76 I 4.5184 8.1747 119.7618 59.0544 39.7778 174.6430 77 P 5.2105 0.0000 0.0000 63.3369 32.0192 175.8023 78 H 4.4191 7.8822 110.6561 54.2528 30.2875 173.3820 79 E 4.1090 9.1194 121.8910 56.8565 29.5078 176.4925 80 I 4.8509 8.8198 116.1844 59.3160 41.7780 173.6239 81 E 5.3400 8.6191 121.3820 53.6939 32.8312 175.9554 82 V 4.3248 8.2061 123.1251 62.0327 34.5598 172.9317 83 E 4.7974 8.9167 127.6381 54.3781 31.2271 176.6594 84 F 4.9284 8.8258 125.8582 57.5199 38.7265 176.2810 85 G 4.0242 8.0346 117.0715 46.9639 0.0000 173.0623 86 A 4.2342 6.8514 122.2567 52.7729 20.0274 176.1130 87 S 4.9187 7.7467 109.2728 57.0361 65.5004 172.8366 88 K 4.8523 8.5127 124.9288 54.6781 34.4774 174.6856 89 I 4.9235 8.2185 127.1431 59.2345 41.4345 174.2234 90 V 4.7925 8.2571 125.7380 61.2784 34.2498 174.3120 91 L 5.1159 9.0913 128.0479 52.6431 44.5189 175.4767 92 K 4.7360 8.2644 119.9719 54.6792 35.5798 172.9955 93 P 4.3987 0.0000 0.0000 63.0774 32.3871 175.3501 94 A 4.3265 7.8950 116.3107 51.4845 21.3864 176.6714 95 A 4.1518 8.9058 126.0237 51.0638 19.3105 175.1170 96 P 4.6167 0.0000 0.0000 63.2928 31.9614 175.9451 97 G 3.8141 8.7785 104.9068 47.5281 0.0000 174.3305 98 T 4.3031 8.1148 114.1939 64.0257 71.7869 175.5220 99 G 4.2890 8.4327 105.9192 43.3271 0.0000 172.2377 100 V 4.4890 7.8608 110.9275 60.3206 33.1997 176.5840 101 I 4.5156 7.7664 123.5334 60.5721 40.6102 174.1874 102 A 4.3412 8.1300 127.9431 51.7677 21.8911 175.0197 103 G 3.8183 8.2537 106.8753 45.7461 0.0000 174.6332 104 A 4.6201 8.5498 125.9775 52.2245 19.6682 178.2269 105 V 4.0898 7.6533 116.6224 64.5618 32.7742 175.6362 106 P 4.4222 0.0000 0.0000 65.3449 31.4808 178.3055 107 R 3.7601 7.6269 118.1831 59.0396 29.8833 177.8550 108 A 4.1689 7.9889 117.8147 53.6651 18.5144 177.4941 109 I 4.2571 7.2245 115.9197 62.8501 39.2555 177.7371 110 L 3.9722 8.6159 120.2592 57.5234 41.2824 179.6119 111 E 4.0304 8.5455 119.2989 59.1116 29.7376 178.4962 112 L 4.1699 7.8092 116.6195 56.1128 41.8936 178.7887 113 A 4.1226 8.2275 122.3079 54.9615 18.2970 177.6741 114 G 3.5245 7.1892 103.2929 45.0257 0.0000 174.3964 115 V 3.9762 7.2534 120.3103 63.6655 32.1817 176.1246 116 T 4.6964 9.8192 116.8704 64.0796 73.2253 173.6631 117 D 5.2180 7.5944 120.8652 53.4177 42.7135 173.7867 118 I 4.7598 9.0489 122.9552 58.8646 42.7411 173.1672 119 L 5.0457 8.3178 124.5195 53.1609 44.5059 175.8335 120 T 5.5735 8.2521 116.7005 59.4426 71.0639 172.8539 121 K 4.6015 8.3655 125.5178 55.2749 36.0043 173.9904 122 E 4.8031 8.8214 126.6869 55.1163 31.0702 174.9582 123 L 4.3925 8.5316 125.6183 55.0097 45.7010 175.9983 124 G 4.1137 9.3317 109.1763 45.6565 0.0000 176.4402 125 S 4.8816 6.0539 118.6829 57.7911 64.0744 174.6916 126 R 4.3291 8.3579 116.1733 55.1334 34.3434 173.9372 127 N 4.2055 8.4864 118.6295 53.5827 39.3854 172.8443 128 P 4.2924 0.0000 0.0000 65.9004 31.4462 178.6221 129 I 3.3392 7.4228 116.9872 64.1708 37.0485 178.0773 130 N 4.4476 7.9537 116.7148 56.3769 38.5308 176.9989 131 I 3.6254 8.1476 121.3056 64.7136 37.1613 177.9020 132 A 3.8950 7.8903 121.2957 55.7467 17.5704 179.3895 133 Y 4.2819 7.5317 114.4302 61.0628 37.6813 178.1055 134 A 3.9557 8.1981 121.0869 56.0397 18.6233 178.8757 135 T 3.7616 8.3323 114.1951 67.0367 68.3241 176.3665 136 M 3.5074 8.7145 116.1232 58.9783 32.0826 179.0068 137 E 3.6714 7.5423 124.1901 59.5568 30.9716 178.9339 138 A 4.0770 8.3832 121.9971 54.8616 18.5219 179.3021 139 L 3.7648 7.9138 116.1697 57.8966 41.5596 179.7765 140 R 4.0093 8.0419 117.8251 58.3520 29.9221 176.8006 141 Q 4.6500 8.3575 117.3025 55.4497 29.3372 175.0463 142 L 4.4781 7.6038 118.2000 53.7556 42.7800 176.8033 143 R 4.6962 8.1984 121.0291 54.6744 33.1225 174.8636 144 T 4.4687 8.2791 111.0535 59.9605 70.6974 175.6259 145 K 3.9731 8.8058 123.4592 59.4678 32.1581 177.7651 146 A 3.6457 7.6490 116.7633 57.0672 18.4912 177.5923 147 D 4.5695 7.2325 116.0334 53.5848 39.7558 178.5080 148 V 3.8350 7.2361 120.9240 65.6981 31.9803 177.8704 149 E 4.4043 8.8089 116.5987 56.7403 29.0008 177.7259 150 R 4.2837 7.8975 121.0200 57.7517 30.9280 176.5967 151 L 4.6173 8.3725 115.8453 54.6061 42.0430 176.7267 152 R 4.7940 7.4434 117.7076 55.5690 32.5808 177.8203 153 K 4.0067 8.6920 120.5922 56.5529 31.1922 178.5991 154 G 3.4628 9.2616 112.8758 47.3441 0.0000 174.3952 *155 E 4.1319 7.8268 116.7460 56.2500 30.4399 177.5297 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 5 D 8.36 4.15 0.00 2.64 2.58 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 6 F 8.03 4.90 0.00 3.12 3.18 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 7 E 9.08 3.90 0.00 2.01 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 2.35 2.27 0.00 8 E 9.12 4.09 0.00 2.22 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 2.19 2.32 0.00 9 K 8.84 4.54 0.00 1.79 1.59 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 M 8.50 4.78 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 11 I 8.19 3.95 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.54 0.92 0.00 0.00 12 L 7.46 4.74 0.00 1.65 1.72 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.51 5.45 1.91 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 1.07 0.80 0.96 0.00 0.00 14 R 8.71 4.79 0.00 1.94 2.10 0.00 3.01 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 15 R 8.56 5.12 0.00 1.91 1.89 0.00 2.65 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.42 0.00 16 T 8.51 4.94 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 1.28 0.00 0.00 17 A 8.22 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.45 4.66 0.00 1.82 1.92 0.00 2.71 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 0.00 19 M 8.14 4.55 0.00 1.96 1.96 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 2.47 2.37 0.00 20 Q 8.12 4.45 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.75 0.00 0.00 0.00 0.00 0.00 2.08 2.23 0.00 21 A 7.97 4.11 1.25 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 0.00 0.00 0.00 22 G 9.12 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 23 G 7.85 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 0.00 0.00 0.00 24 R 7.68 4.65 0.00 1.25 1.69 0.00 2.63 0.00 0.00 2.25 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.94 0.00 25 R 7.79 4.34 0.00 1.61 1.76 0.00 3.06 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 26 F 8.99 5.61 0.00 2.56 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 27 R 7.17 4.38 0.00 1.90 1.74 0.00 3.12 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.41 0.00 28 F 8.61 5.49 0.00 3.01 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 29 G 9.27 4.46 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 30 A 8.58 5.16 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 31 L 8.68 5.16 0.00 2.02 1.66 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.76 4.61 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 1.07 0.00 0.00 0.98 0.00 0.00 33 V 8.76 5.28 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 1.26 0.00 0.00 0.96 0.00 0.00 34 V 8.03 4.75 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 1.00 0.00 0.00 35 G 8.48 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 0.00 0.00 0.00 0.00 36 D 8.58 4.85 0.00 2.91 3.21 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 0.00 37 R 7.81 3.86 0.00 1.95 2.06 0.00 3.28 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 38 Q 8.22 4.53 0.00 2.42 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.00 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 39 G 10.20 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 40 R 7.83 5.12 0.00 1.72 1.77 0.00 3.11 0.00 0.00 3.32 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 41 V 8.38 4.85 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 0.79 0.00 0.00 0.89 0.00 0.00 42 G 8.92 4.70 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 0.00 0.00 0.00 43 L 8.34 5.11 0.00 1.66 1.69 0.97 0.95 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 44 G 9.38 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 0.00 0.00 0.00 0.00 45 F 9.32 5.28 0.00 2.97 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 46 G 9.65 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 0.00 0.00 0.00 47 K 8.43 5.65 0.00 1.52 1.65 0.00 0.61 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 0.94 7.81 48 A 8.34 4.65 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 49 P 0.00 4.51 0.00 2.14 2.20 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 50 E 7.82 4.66 0.00 2.01 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 2.22 2.19 0.00 51 V 7.72 3.26 1.72 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 0.79 0.00 0.00 -0.37 0.00 0.00 52 P 0.00 4.07 0.00 2.13 2.05 0.00 3.45 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 53 L 7.59 4.00 0.00 1.69 1.54 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.56 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.21 3.29 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 0.94 0.00 0.00 56 Q 7.81 3.96 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 57 K 9.01 4.03 0.00 1.76 1.98 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.55 1.47 7.81 58 A 9.00 4.60 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.93 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 60 Y 9.58 4.27 0.00 2.80 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 61 Y 7.15 3.91 0.00 3.13 3.03 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 0.00 0.00 0.00 62 A 8.67 3.96 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 63 R 8.06 4.36 0.00 1.70 1.85 0.00 3.25 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 64 R 7.32 4.27 0.00 1.55 1.77 0.00 3.31 0.00 0.00 3.17 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 65 N 5.77 4.63 0.00 2.80 2.71 0.00 0.00 7.23 7.53 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 66 M 8.03 5.93 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.28 0.00 67 V 7.75 4.53 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 0.70 0.00 0.00 0.91 0.00 0.00 68 E 8.77 4.09 0.00 1.99 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 2.27 2.30 0.00 69 V 8.42 4.29 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 0.81 0.00 0.00 0.98 0.00 0.00 70 P 0.00 4.20 0.00 2.20 2.12 0.00 3.86 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 1.97 2.18 0.00 71 L 7.90 4.53 0.00 1.66 1.67 0.96 0.98 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 72 Q 8.33 4.56 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.39 6.22 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 73 N 8.97 4.27 0.00 2.86 2.92 0.00 0.00 7.28 7.98 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 74 G 8.49 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 0.00 0.00 0.00 75 T 7.24 4.39 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 1.25 0.00 0.00 76 I 8.17 4.52 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.93 0.92 0.00 0.00 77 P 0.00 5.21 0.00 2.34 2.15 0.00 3.39 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 78 H 7.88 4.42 0.00 3.18 3.31 0.00 5.77 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 9.12 4.11 0.00 2.00 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 0.00 2.33 2.39 0.00 80 I 8.82 4.85 1.91 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 0.88 1.05 0.00 0.00 81 E 8.62 5.34 0.00 1.83 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 2.20 2.11 0.00 82 V 8.21 4.32 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 1.05 0.00 0.00 0.95 0.00 0.00 83 E 8.92 4.80 0.00 1.93 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 2.28 2.32 0.00 84 F 8.83 4.93 0.00 2.81 3.01 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 85 G 8.03 4.02 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 0.00 0.00 0.00 86 A 6.85 4.23 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 87 S 7.75 4.92 0.00 3.86 3.82 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 88 K 8.51 4.85 0.00 1.96 1.65 0.00 1.82 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.36 7.81 89 I 8.22 4.92 1.88 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 1.11 1.30 0.99 0.00 0.00 90 V 8.26 4.79 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 1.02 0.00 0.00 0.99 0.00 0.00 91 L 9.09 5.12 0.00 1.76 1.53 0.92 0.88 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 92 K 8.26 4.74 0.00 1.80 1.59 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.46 7.81 93 P 0.00 4.40 0.00 1.98 2.02 0.00 3.79 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 2.05 2.13 0.00 94 A 7.89 4.33 1.26 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 0.00 0.00 95 A 8.91 4.15 1.25 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 0.00 0.00 0.00 96 P 0.00 4.62 0.00 2.05 2.02 0.00 3.81 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 97 G 8.78 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 0.00 0.00 0.00 98 T 8.11 4.30 4.35 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 1.21 0.00 0.00 99 G 8.43 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 0.00 0.00 0.00 0.00 100 V 7.86 4.49 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 0.73 0.00 0.00 0.93 0.00 0.00 101 I 7.77 4.52 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 1.37 1.42 0.91 0.00 0.00 102 A 8.13 4.34 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 0.00 103 G 8.25 3.82 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 0.00 0.00 0.00 104 A 8.55 4.62 1.26 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 0.00 0.00 105 V 7.65 4.09 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 0.93 0.00 0.00 0.90 0.00 0.00 106 P 0.00 4.42 0.00 2.29 2.27 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.03 0.00 107 R 7.63 3.76 0.00 1.93 2.24 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 108 A 7.99 4.17 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 0.00 109 I 7.22 4.26 2.01 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 1.63 0.93 0.90 0.00 0.00 110 L 8.62 3.97 0.00 1.74 1.73 0.92 -0.06 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 0.00 111 E 8.55 4.03 0.00 2.03 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 2.32 2.47 0.00 112 L 7.81 4.17 0.00 1.69 1.71 1.01 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.23 4.12 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 0.00 114 G 7.19 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 0.00 0.00 0.00 115 V 7.25 3.98 2.20 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 0.82 0.00 0.00 0.96 0.00 0.00 116 T 9.82 4.70 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 0.00 117 D 7.59 5.22 0.00 2.64 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 0.00 118 I 9.05 4.76 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 1.22 1.35 0.91 0.00 0.00 119 L 8.32 5.05 0.00 1.58 1.51 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.25 5.57 4.32 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 1.29 0.00 0.00 121 K 8.37 4.60 0.00 1.87 1.57 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.41 1.54 7.81 122 E 8.82 4.80 0.00 1.88 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 2.23 2.31 0.00 123 L 8.53 4.39 0.00 1.54 1.57 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 124 G 9.33 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 0.00 0.00 0.00 125 S 6.05 4.88 0.00 3.83 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 0.00 126 R 8.36 4.33 0.00 1.78 1.86 0.00 3.28 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 127 N 8.49 4.21 0.00 2.71 2.75 0.00 0.00 7.12 7.25 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 0.00 128 P 0.00 4.29 0.00 2.11 2.07 0.00 3.59 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 2.28 0.00 129 I 7.42 3.34 1.65 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.75 0.44 0.00 0.00 130 N 7.95 4.45 0.00 3.01 3.04 0.00 0.00 7.06 7.32 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 0.00 131 I 8.15 3.63 1.93 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 1.46 0.86 0.95 0.00 0.00 132 A 7.89 3.89 1.16 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 0.00 133 Y 7.53 4.28 0.00 2.69 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 0.00 134 A 8.20 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 0.00 135 T 8.33 3.76 4.48 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 1.20 0.00 0.00 136 M 8.71 3.51 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.95 0.00 137 E 7.54 3.67 0.00 2.08 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 2.26 2.54 0.00 138 A 8.38 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 0.00 139 L 7.91 3.76 0.00 1.67 1.73 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.04 4.01 0.00 1.76 2.12 0.00 3.66 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 141 Q 8.36 4.65 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.49 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 142 L 7.60 4.48 0.00 1.70 1.52 0.88 0.66 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 0.00 143 R 8.20 4.70 0.00 1.79 1.78 0.00 3.37 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.57 0.00 144 T 8.28 4.47 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 0.00 145 K 8.81 3.97 0.00 1.81 1.87 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.31 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.64 1.47 7.81 146 A 7.65 3.65 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 0.00 147 D 7.23 4.57 0.00 2.96 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 0.00 148 V 7.24 3.83 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 0.97 0.00 0.00 1.00 0.00 0.00 149 E 8.81 4.40 0.00 2.08 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 2.55 2.25 0.00 150 R 7.90 4.28 0.00 1.79 2.05 0.00 3.21 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 151 L 8.37 4.62 0.00 1.67 1.67 0.92 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 0.00 152 R 7.44 4.79 0.00 1.76 1.89 0.00 3.21 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.79 0.00 153 K 8.69 4.01 0.00 1.74 1.42 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.60 1.38 7.81 154 G 9.26 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 *155 E 7.83 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.