NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3371 8.3349 115.2844 57.7879 63.8888 174.5101 -1 N 4.2419 7.7181 117.7844 52.0525 36.6878 172.3526 0 A 4.4699 7.6714 125.7158 50.1302 18.9041 176.7146 1 I 4.7218 7.1798 117.3229 59.0184 38.6012 178.5140 2 E 3.8322 8.1378 123.9629 60.4082 29.1882 177.6143 3 E 3.9690 8.0377 118.2795 59.1627 29.5700 179.1953 4 V 3.5712 7.3988 118.0487 65.8577 31.5716 177.6304 5 Y 4.3095 7.3664 116.4793 61.2848 37.8048 178.1575 6 E 3.9861 8.6629 119.6516 59.4791 29.5730 179.3033 7 A 4.2283 8.0847 120.7052 55.5024 18.3016 179.9299 8 T 3.7691 7.7959 114.0705 66.7322 68.5424 177.0371 9 L 3.7593 8.0816 120.9815 57.7580 41.5784 179.3006 10 D 4.3031 8.5621 118.9721 57.4438 40.8033 178.8043 11 A 3.9809 8.4450 121.4581 55.1064 18.3713 179.5852 12 I 3.6241 8.4633 119.4255 64.6933 37.2694 178.7135 13 Q 4.0879 8.1339 118.8716 58.9474 28.3574 179.0852 14 G 3.5651 7.8821 105.3381 47.7130 0.0000 175.3768 15 A 4.2771 8.3605 122.4923 53.5429 18.6454 177.9547 16 L 4.5437 7.8142 113.6474 53.9998 43.8600 175.9850 17 N 4.0000 7.7047 117.2566 54.6626 37.5570 171.7131 18 C 4.3532 7.3942 113.7148 56.7765 32.6400 172.9451 19 D 4.6484 7.7548 118.0070 56.4077 41.4686 177.4144 20 R 4.8185 7.6198 114.4182 55.5396 34.8638 173.8105 21 A 5.4154 9.6630 122.0726 51.5023 23.2891 175.2291 22 S 5.2362 9.1999 112.7195 57.5543 67.2951 173.0883 23 I 5.0433 8.9910 121.2056 59.5876 40.5027 174.8282 24 L 5.0743 9.1580 125.5725 52.9096 45.8879 175.5531 25 L 5.0728 8.5157 120.6554 52.6312 46.1172 176.2712 26 F 5.0423 8.7965 120.7978 57.8805 39.8503 174.2168 27 D 5.1362 8.7177 120.5727 51.3603 42.3175 176.8559 28 E 3.9214 8.9186 116.9707 58.9627 29.2969 177.9746 29 A 4.2314 8.8396 121.6424 51.9725 18.3417 178.8035 30 G 3.8492 8.3491 105.3052 46.2151 0.0000 173.9306 31 T 4.6525 7.4521 110.5579 60.5287 71.0471 174.3485 32 M 4.6005 8.6608 124.1671 55.5363 33.7074 175.5134 33 R 4.7966 8.4570 120.6630 53.5181 34.7812 174.6487 34 F 4.3967 9.0472 122.3857 58.6844 39.0526 175.5495 35 V 4.4856 8.3231 113.8367 60.9227 33.6687 175.3513 36 A 4.5422 7.5017 119.3475 51.5231 22.1169 174.9263 37 A 5.0465 8.5412 118.4409 51.7003 21.9373 175.9157 38 R 4.4634 8.9231 116.0741 55.0978 33.4405 174.7254 39 G 4.1325 8.5110 108.8826 45.2129 0.0000 172.9358 40 L 4.3556 7.8259 125.1663 54.0919 43.3176 177.7108 41 S 4.4990 8.4249 117.0664 57.6728 65.5970 175.4167 42 E 3.9954 8.5544 122.4607 59.7093 29.2211 178.8428 43 H 3.9979 8.2811 117.8879 59.7261 29.7089 176.3593 44 Y 4.0270 8.0452 120.9586 60.7210 38.1046 178.0928 45 Q 3.1948 7.7783 118.9668 58.7407 28.5240 178.8316 46 R 3.7618 8.0748 118.0896 59.0505 30.1347 178.4305 47 A 4.0896 7.4587 119.5846 54.5459 18.3509 178.7877 48 V 4.2081 6.7226 106.4124 60.9794 32.6867 175.8517 49 D 4.4603 7.4402 120.7859 55.0255 40.5810 175.1433 50 G 4.1871 7.4667 110.0485 45.8517 0.0000 174.1103 51 H 4.0582 8.0269 116.1982 55.5056 29.5119 175.6818 52 S 4.5887 8.4290 119.1387 55.2338 62.9588 173.0106 53 P 3.6560 0.0000 0.0000 64.2536 31.1841 175.4459 54 W 5.0835 9.6214 117.7893 55.7333 32.9290 174.4091 55 I 4.2498 8.0329 106.9040 60.7432 37.2716 174.7700 *59 N 4.7528 8.3256 118.4590 54.1722 40.5871 175.3750 60 E 4.5549 7.7783 116.2565 53.8274 30.7290 171.3474 61 P 4.6980 0.0000 0.0000 60.8339 33.2400 175.8065 62 E 4.7520 8.4653 120.1298 53.6309 32.2807 173.9335 63 P 4.5844 0.0000 0.0000 62.8814 32.3069 175.9784 64 I 4.1973 7.7717 122.7926 59.3098 40.2305 174.6173 65 F 4.6745 8.3236 123.9251 55.4211 42.2961 175.1582 66 V 4.2640 8.8562 121.9469 61.4875 33.5516 175.5959 67 E 4.7321 8.9951 128.7121 57.7894 31.3453 176.8115 68 N 5.3500 7.9555 117.3551 51.5075 42.1843 174.8130 69 V 3.7356 8.8042 125.9121 66.1699 31.8640 177.8299 70 D 4.6350 8.3505 118.5694 56.9344 40.6874 176.8411 71 D 4.6104 7.7320 116.1730 53.8839 40.9758 176.2078 72 A 4.1639 7.8657 123.7307 51.2283 19.9928 177.3610 73 E 4.3265 7.6156 117.8449 56.3505 29.3371 177.1403 74 F 5.2299 7.5145 116.9669 55.5060 41.4866 176.2458 75 S 3.9698 9.0217 120.9318 59.3784 63.4659 176.1365 76 R 3.8850 8.7060 126.7784 61.6248 29.3761 175.6894 77 E 4.1664 8.3091 119.1054 59.2934 29.5974 179.1896 78 L 4.0335 8.1235 119.9141 57.4520 42.2413 178.5981 79 K 4.1053 8.0582 119.3051 59.5409 32.1286 178.2385 80 E 4.0247 8.7722 120.0778 59.2725 29.2873 179.0295 81 S 4.1910 7.8153 114.6656 61.5787 63.1855 176.4593 82 I 4.0202 7.8386 122.3379 64.4996 36.9883 178.5788 83 V 3.8626 7.9974 119.0922 66.1724 31.1852 178.4165 84 G 3.8682 8.2250 104.4083 47.5104 0.0000 174.9142 85 E 4.1052 7.9228 120.4975 57.4911 29.5977 177.5157 86 G 3.9614 8.4271 106.8179 45.3039 0.0000 172.8969 87 I 4.3358 7.3434 119.1708 59.6935 38.8405 175.1864 88 A 4.8708 9.0652 124.9849 52.3273 21.8823 175.9995 89 A 5.3597 7.9990 115.4919 51.0294 22.9809 175.2457 90 L 5.2269 9.4916 119.3253 53.4915 47.2222 175.1271 91 G 4.1543 8.8751 108.3715 43.2594 0.0000 171.4712 92 F 4.9041 8.3327 124.2825 55.5532 41.5015 174.6959 93 F 5.0094 8.5089 122.6644 54.6924 41.6529 173.2160 94 P 4.2974 0.0000 0.0000 62.6023 32.1587 175.7445 95 L 4.6958 8.7865 123.7964 53.0408 43.8721 175.7175 96 V 4.9988 8.2239 123.1053 61.2088 34.5034 174.8420 97 T 4.3346 8.5375 116.7187 61.1501 70.7857 174.0550 98 E 3.7958 9.5491 124.5066 56.7182 26.8038 174.5315 99 G 3.8192 9.7310 104.9397 45.5022 0.0000 173.8098 100 R 4.5480 7.2781 117.3923 54.2627 33.5857 173.5374 101 L 4.4416 8.3568 126.0196 55.2159 42.7778 176.5662 102 I 4.7384 10.2543 124.1869 59.9796 39.6121 176.0766 103 G 3.7181 6.8593 106.8833 45.9045 0.0000 170.9259 104 K 5.0591 8.0730 117.7490 55.9786 36.3870 174.7340 105 F 5.4670 9.2428 115.8046 55.4799 41.7370 173.4824 106 M 5.1261 9.3142 119.8635 53.6438 35.9409 174.4243 107 T 4.8907 8.3897 112.6501 60.0984 71.8884 172.7575 108 Y 5.2530 8.6352 121.3969 56.5038 41.9693 174.1525 109 Y 5.1332 9.2876 119.8984 56.3753 41.2811 176.5740 110 D 4.6107 10.6100 125.5145 56.0438 41.2791 176.3121 111 R 4.7822 7.5897 113.8210 52.9532 32.6720 172.8152 112 P 4.6026 0.0000 0.0000 63.9827 32.3431 175.7042 113 H 4.4194 8.8955 121.4243 55.0676 33.2745 172.8197 114 R 4.4224 8.2832 123.3348 55.9248 30.5884 176.1811 115 F 4.2974 8.7586 121.2972 55.7619 39.4702 176.1909 116 A 4.1259 8.2479 128.4738 51.6124 20.0259 177.0174 117 D 4.3036 8.7721 124.2955 57.7105 40.9483 179.1146 118 S 4.1086 8.1913 112.9017 61.9682 62.2644 176.2465 119 E 4.0475 8.2050 120.2834 59.1368 29.2809 178.9626 120 I 4.0643 8.0316 120.2451 64.5595 37.2911 178.5198 121 G 3.6878 8.5166 106.6021 48.1205 0.0000 175.3398 122 M 4.0338 8.3512 121.5861 58.1028 32.0113 178.7592 123 A 3.9263 8.4576 120.9158 55.1382 18.3991 179.4267 124 L 4.0256 8.2763 117.8954 58.4752 41.7602 179.9736 125 T 3.9158 7.7979 115.2835 66.8622 68.3313 176.8123 126 I 3.7126 7.8083 121.3596 64.1383 37.0785 178.2893 127 A 4.1157 8.6054 122.1871 55.2663 18.1457 179.8622 128 R 3.6728 8.3776 116.8971 59.5221 30.1128 179.1685 129 Q 4.1720 8.0440 119.2093 58.8351 28.9901 177.9634 130 L 4.0363 8.3535 122.1281 57.9475 42.1130 178.8344 131 G 3.5874 7.9526 105.6442 48.2110 0.0000 175.5731 132 F 4.4798 8.2188 121.1659 60.1321 38.8409 178.0836 133 S 4.2111 8.5439 115.1189 61.5227 62.7366 176.8044 134 I 3.6831 8.3315 122.8690 64.4259 37.0068 177.8177 135 Q 3.9903 8.6974 120.8253 59.8978 28.8941 179.5096 136 R 4.0598 8.2311 118.4972 59.1445 30.1907 179.1123 137 M 4.0504 8.3151 118.9631 58.4618 32.0478 179.0477 138 R 4.0654 7.9646 115.5100 59.0253 29.4360 178.3715 139 A 3.9972 8.0004 121.5207 55.3782 18.1688 179.5165 140 E 3.9273 8.1740 116.5603 59.7714 29.3631 178.9434 141 Y 4.1916 7.8492 117.9918 60.5573 38.8818 177.8093 142 A 3.9872 8.6702 121.3375 55.0460 18.6528 178.9111 143 R 4.1698 8.1502 118.9362 59.8501 31.2100 179.4316 144 R 4.3949 7.4055 123.8943 59.0870 26.5003 178.9177 145 Q 4.2450 7.7641 122.3356 54.8287 29.2366 175.1059 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 -2 S 8.33 4.34 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 -1 N 7.72 4.24 0.00 2.56 2.56 0.00 0.00 6.93 6.46 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 A 7.67 4.47 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 1 I 7.18 4.72 1.64 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.56 0.80 0.00 0.00 2 E 8.14 3.83 0.00 2.08 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 2.45 2.57 0.00 3 E 8.04 3.97 0.00 2.03 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 2.37 2.40 0.00 4 V 7.40 3.57 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 1.05 0.00 0.00 0.83 0.00 0.00 5 Y 7.37 4.31 0.00 3.18 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 6 E 8.66 3.99 0.00 1.97 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 2.57 2.51 0.00 7 A 8.08 4.23 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 8 T 7.80 3.77 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 0.93 0.00 0.00 9 L 8.08 3.76 0.00 1.88 1.73 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.56 4.30 0.00 2.83 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 11 A 8.44 3.98 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 12 I 8.46 3.62 1.94 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.61 0.99 0.00 0.00 13 Q 8.13 4.09 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 14 G 7.88 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.36 4.28 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 16 L 7.81 4.54 0.00 1.75 1.77 1.02 0.96 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 17 N 7.70 4.00 0.00 2.82 2.91 0.00 0.00 7.01 7.30 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 18 C 7.39 4.35 0.00 2.17 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 0.00 0.00 0.00 0.00 19 D 7.75 4.65 0.00 2.65 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 20 R 7.62 4.82 0.00 1.84 1.92 0.00 2.82 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 21 A 9.66 5.42 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 22 S 9.20 5.24 0.00 4.36 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.99 5.04 1.60 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.70 0.82 0.00 0.00 24 L 9.16 5.07 0.00 1.25 1.22 0.72 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.52 5.07 0.00 1.50 1.49 1.00 1.07 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 26 F 8.80 5.04 0.00 2.99 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 27 D 8.72 5.14 0.00 2.85 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 28 E 8.92 3.92 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 29 A 8.84 4.23 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 30 G 8.35 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.45 4.65 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 1.28 0.00 0.00 32 M 8.66 4.60 0.00 1.74 1.93 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 1.69 0.00 33 R 8.46 4.80 0.00 1.81 1.79 0.00 3.19 0.00 0.00 3.30 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 34 F 9.05 4.40 0.00 2.95 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 35 V 8.32 4.49 1.91 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 0.60 0.00 0.00 0.01 0.00 0.00 36 A 7.50 4.54 1.13 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 37 A 8.54 5.05 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 38 R 8.92 4.46 0.00 1.83 1.99 0.00 2.77 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 39 G 8.51 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 40 L 7.83 4.36 0.00 1.50 1.42 0.97 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.42 4.50 0.00 4.05 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.55 4.00 0.00 2.01 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 2.35 2.32 0.00 43 H 8.28 4.00 0.00 3.22 3.33 0.00 5.87 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 44 Y 8.05 4.03 0.00 3.18 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 45 Q 7.78 3.19 0.00 1.99 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 1.16 2.19 0.00 46 R 8.07 3.76 0.00 1.77 1.93 0.00 3.16 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 47 A 7.46 4.09 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 48 V 6.72 4.21 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.72 0.00 0.00 49 D 7.44 4.46 0.00 2.54 2.61 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 50 G 7.47 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 H 8.03 4.06 0.00 3.11 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.43 4.59 0.00 4.24 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 3.66 0.00 0.49 1.22 0.00 3.55 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.78 0.00 54 W 9.62 5.08 0.00 3.40 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 55 I 8.03 4.25 1.90 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 0.32 0.97 0.00 0.00 *59 N 8.33 4.75 0.00 2.76 2.96 0.00 0.00 6.95 7.66 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 60 E 7.78 4.55 0.00 1.88 1.82 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 2.19 2.22 0.00 61 P 0.00 4.70 0.00 1.22 1.33 0.00 3.59 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 1.58 1.61 0.00 62 E 8.47 4.75 0.00 2.04 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 2.27 2.28 0.00 63 P 0.00 4.58 0.00 1.86 1.75 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 64 I 7.77 4.20 1.16 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.26 0.46 0.00 0.00 65 F 8.32 4.67 0.00 2.66 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 0.00 0.00 0.00 66 V 8.86 4.26 2.41 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 1.15 0.00 0.00 1.05 0.00 0.00 67 E 9.00 4.73 0.00 2.06 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 2.95 2.37 0.00 68 N 7.96 5.35 0.00 2.68 2.71 0.00 0.00 6.86 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 69 V 8.80 3.74 2.19 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 1.10 0.00 0.00 1.14 0.00 0.00 70 D 8.35 4.63 0.00 2.88 2.74 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 71 D 7.73 4.61 0.00 2.69 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 72 A 7.87 4.16 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.62 4.33 0.00 1.73 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 2.17 2.15 0.00 74 F 7.51 5.23 0.00 3.03 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 75 S 9.02 3.97 0.00 4.03 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 76 R 8.71 3.89 0.00 1.84 1.98 0.00 3.27 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.35 0.00 77 E 8.31 4.17 0.00 2.01 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 2.41 2.39 0.00 78 L 8.12 4.03 0.00 1.69 1.72 0.80 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.06 4.11 0.00 2.10 2.03 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.67 7.81 80 E 8.77 4.02 0.00 2.20 2.18 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 2.33 2.43 0.00 81 S 7.82 4.19 0.00 4.11 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 82 I 7.84 4.02 2.01 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 1.62 0.97 1.05 0.00 0.00 83 V 8.00 3.86 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 1.04 0.00 0.00 1.01 0.00 0.00 84 G 8.22 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 85 E 7.92 4.11 0.00 2.06 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 1.47 1.93 0.00 86 G 8.43 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.34 4.34 1.80 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 1.16 0.40 1.10 0.00 0.00 88 A 9.07 4.87 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 89 A 8.00 5.36 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 90 L 9.49 5.23 0.00 1.32 1.43 1.22 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 91 G 8.88 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 92 F 8.33 4.90 0.00 2.48 2.89 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 93 F 8.51 5.01 0.00 2.51 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 94 P 0.00 4.30 0.00 1.57 1.04 0.00 3.64 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 1.74 1.19 0.00 95 L 8.79 4.70 0.00 1.50 1.54 0.96 0.82 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 96 V 8.22 5.00 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 0.81 0.00 0.00 0.77 0.00 0.00 97 T 8.54 4.33 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 98 E 9.55 3.80 0.00 2.18 2.16 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 2.23 2.27 0.00 99 G 9.73 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 0.00 100 R 7.28 4.55 0.00 1.96 1.86 0.00 3.08 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 101 L 8.36 4.44 0.00 1.57 1.64 0.65 1.21 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 0.00 102 I 10.25 4.74 1.99 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 1.29 0.91 0.95 0.00 0.00 103 G 6.86 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 0.00 0.00 0.00 104 K 8.07 5.06 0.00 1.96 2.02 0.00 1.60 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.41 7.81 105 F 9.24 5.47 0.00 3.20 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 M 9.31 5.13 0.00 0.93 1.49 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 107 T 8.39 4.89 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 108 Y 8.64 5.25 0.00 2.79 2.74 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 0.00 109 Y 9.29 5.13 0.00 2.78 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 10.61 4.61 0.00 2.66 2.74 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 0.00 111 R 7.59 4.78 0.00 1.88 1.88 0.00 3.09 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 112 P 0.00 4.60 0.00 1.95 2.08 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 113 H 8.90 4.42 0.00 2.71 2.47 0.00 5.58 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 8.28 4.42 0.00 1.78 1.82 0.00 2.70 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 115 F 8.76 4.30 0.00 2.50 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 0.00 116 A 8.25 4.13 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 0.00 117 D 8.77 4.30 0.00 2.70 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 0.00 118 S 8.19 4.11 0.00 3.90 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 0.00 119 E 8.21 4.05 0.00 2.18 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 0.00 2.46 2.45 0.00 120 I 8.03 4.06 2.13 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.85 1.17 0.00 0.00 121 G 8.52 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.35 4.03 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.59 0.00 123 A 8.46 3.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.28 4.03 0.00 1.90 1.82 1.09 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 125 T 7.80 3.92 4.43 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 1.25 0.00 0.00 126 I 7.81 3.71 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 0.57 0.00 0.00 127 A 8.61 4.12 1.59 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 0.00 128 R 8.38 3.67 0.00 2.06 2.04 0.00 3.23 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 129 Q 8.04 4.17 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 130 L 8.35 4.04 0.00 1.74 1.81 1.07 1.18 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 0.00 131 G 7.95 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 0.00 132 F 8.22 4.48 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.54 4.21 0.00 4.04 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 0.00 134 I 8.33 3.68 2.04 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 1.52 1.21 0.97 0.00 0.00 135 Q 8.70 3.99 0.00 2.32 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 136 R 8.23 4.06 0.00 2.05 1.98 0.00 3.19 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 137 M 8.32 4.05 0.00 2.03 2.31 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 138 R 7.96 4.07 0.00 2.22 2.25 0.00 2.91 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.96 0.00 139 A 8.00 4.00 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 0.00 140 E 8.17 3.93 0.00 2.35 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 141 Y 7.85 4.19 0.00 2.92 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 0.00 142 A 8.67 3.99 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 0.00 143 R 8.15 4.17 0.00 1.91 2.19 0.00 3.27 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 144 R 7.41 4.39 0.00 1.90 1.75 0.00 3.28 0.00 0.00 3.26 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 145 Q 7.76 4.24 0.00 2.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.62 0.00 0.00 0.00 0.00 0.00 2.17 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.