NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 43 N 4.3371 8.4093 119.1920 53.4640 40.0629 172.8837 *45 Y 4.9962 7.8063 119.0193 56.9910 40.0384 173.7545 46 S 5.1764 9.1436 114.0833 57.0315 66.5690 172.3781 47 Y 5.4658 8.0965 117.8228 55.8602 41.4774 173.7840 48 K 4.6361 9.3108 120.7951 54.5877 35.5159 174.7716 49 K 4.6051 9.0634 129.1260 55.9646 33.4446 176.4081 50 I 4.4097 8.6094 128.1248 59.9924 39.7885 176.7197 51 G 3.7308 8.0628 118.4217 46.9142 0.0000 172.6122 52 N 4.6209 8.7570 123.2743 52.5715 37.7128 173.8757 53 K 5.1890 7.8527 118.4171 55.0345 36.5456 174.4692 54 Y 5.2893 9.1507 118.7816 56.4910 42.0476 174.7760 55 I 4.6883 8.9840 125.2028 60.2109 38.9790 174.7525 56 V 4.5630 9.1067 128.1377 61.0393 33.9153 174.1626 57 S 5.1694 9.3062 123.7829 56.6816 63.6648 173.0847 58 I 4.4800 8.5947 128.9427 60.7652 37.7132 176.4567 59 N 4.5054 8.7943 122.9586 52.9818 38.3648 174.7751 60 N 4.3597 8.5191 119.2795 54.9859 39.6369 174.3756 61 H 4.4781 8.3218 117.2041 57.0851 27.1108 174.8614 62 T 4.6055 7.1246 115.6314 61.3907 71.0437 173.4368 63 E 4.5397 8.5652 125.4358 55.9812 30.4496 177.7479 64 I 3.7006 8.8996 129.2355 64.2868 37.1099 178.7718 65 V 3.4500 7.8945 118.7289 65.6867 31.4689 177.6857 66 K 3.8230 8.4968 119.3322 59.5409 31.9228 178.5350 67 A 4.1310 7.9851 120.8420 55.3228 18.3856 179.6360 68 L 3.7810 8.1964 117.9055 57.7353 41.5058 179.4208 69 N 4.2447 8.4014 116.5189 56.4113 38.5139 177.2138 70 A 3.9958 8.1762 122.0416 55.0056 18.4620 179.3988 71 F 3.6517 8.2704 120.6371 61.0266 39.3510 177.1819 72 C 3.8665 8.0424 116.2394 62.4163 27.8763 176.0949 73 K 3.8031 8.1729 121.4467 59.4774 31.6234 178.3110 74 E 3.8262 8.0607 118.5312 59.0036 29.5944 178.1139 75 K 4.0835 7.3360 114.9608 55.0524 32.4525 176.6992 76 G 3.8423 7.5431 107.2025 46.4140 0.0000 174.2413 77 I 3.9927 7.7464 121.2437 60.5369 37.2165 176.5061 78 L 4.2962 8.6233 126.1484 57.0108 42.3738 176.7954 79 S 4.9781 6.4373 109.9104 57.2501 65.8551 174.3226 80 G 3.4178 7.3636 105.9498 45.2101 0.0000 171.0818 81 S 5.1549 7.2776 112.2689 56.7087 67.2058 173.0443 82 I 5.1684 8.6176 120.6424 59.9433 41.3669 174.2617 83 N 5.5142 8.8022 122.7480 52.0544 43.6150 174.7616 84 G 3.7345 8.4362 109.3142 46.1105 0.0000 171.7049 85 I 4.8234 7.2156 111.7088 58.5641 41.1298 174.6303 86 G 3.6063 6.6940 105.6183 45.8422 0.0000 170.8761 87 A 5.1534 7.9197 119.8699 50.1978 22.5153 175.7887 88 I 5.1142 8.3054 112.3346 59.5083 41.3307 175.5794 89 G 4.1956 9.1646 109.0272 45.6073 0.0000 172.4207 90 E 5.2326 7.8158 120.2406 55.1207 33.4359 173.4109 91 L 5.2792 9.0966 127.2718 53.8597 46.2843 174.7091 92 T 5.2559 9.2952 122.3846 61.8801 71.6165 173.0240 93 L 5.2946 9.0692 126.0633 52.9244 45.2830 175.2646 94 R 5.2204 8.7265 121.8823 54.5841 32.5339 174.6884 95 F 4.8393 9.5942 128.7198 56.4708 41.8516 173.3594 96 F 5.0598 8.4070 128.7751 56.7745 41.0360 174.3058 97 N 4.5847 8.5397 126.1655 51.2890 39.0574 173.8193 98 P 3.9192 0.0000 0.0000 65.1225 31.9763 178.0476 99 K 4.0140 8.1989 120.3921 59.1811 32.0735 177.6355 100 T 4.2347 7.8620 105.0951 60.6850 69.6453 174.9236 101 K 3.7295 7.9743 119.9211 57.1033 30.4568 175.4354 102 A 4.5037 7.5506 121.0386 52.2170 19.5144 176.9238 103 Y 5.5748 7.9467 116.6833 55.5194 41.5867 174.0419 104 D 4.9590 9.5173 119.9678 51.7981 43.3132 174.0021 105 D 5.4854 8.8590 120.4697 52.7196 43.0906 175.1821 106 K 4.4147 9.1594 126.1847 54.8072 34.4941 174.7578 107 T 5.0375 8.2550 123.8713 61.9737 70.5122 173.6133 108 F 4.6662 9.4839 125.9880 56.1645 41.2984 175.4097 109 R 5.2464 8.3183 122.2007 53.4063 30.3485 174.0112 110 E 4.7411 8.4455 119.1785 55.3355 33.6292 175.1407 111 Q 4.5319 8.4661 121.5604 55.1289 30.6244 174.5840 *113 E 4.1141 8.4593 120.4312 56.1754 31.6017 175.4007 114 I 4.5512 8.7819 126.1388 60.8953 37.1761 176.8199 115 S 4.2956 8.8177 123.8012 60.8552 64.0254 174.4871 116 N 4.7929 7.8238 116.6604 52.4749 42.3971 172.7316 117 L 5.2408 8.9479 128.2874 53.6189 45.2474 175.0246 118 T 5.2242 8.5552 121.8432 61.9405 72.6351 173.6593 119 G 4.0730 8.1434 110.9103 46.3252 0.0000 171.2599 120 N 5.7352 8.7110 116.4513 51.2515 41.6941 173.3809 121 I 5.2184 8.6433 119.8367 60.0545 40.8995 175.4462 122 S 5.3040 9.1460 118.9380 58.3187 66.7448 171.8598 123 S 5.5244 8.9053 116.6055 55.8220 65.5494 174.2274 *125 N 4.6403 8.2498 115.5796 53.3546 38.5985 171.5645 126 E 4.1288 8.3689 109.7032 57.0063 27.8098 176.0754 127 Q 4.6897 7.4125 117.0674 54.4897 32.9529 174.7205 128 V 3.7706 8.3236 119.7582 63.6269 32.5150 174.5653 129 Y 4.5811 9.1483 128.2707 55.8814 41.2957 173.8357 130 L 5.0562 8.0599 126.5712 53.2591 44.1029 175.6122 131 H 4.8212 9.0386 123.0021 54.4766 32.4020 172.0495 132 L 5.1957 8.5139 125.4936 53.2666 45.3107 175.7318 133 H 5.5223 9.2881 120.2568 54.4189 32.7071 172.7070 134 I 5.0927 8.5029 118.3075 60.3673 42.1076 173.3743 135 T 5.2045 9.1046 123.2057 61.9238 71.9438 173.5370 136 V 4.9373 9.0057 119.1382 59.4673 35.9602 174.6221 137 G 4.3021 8.9541 110.6722 44.8089 0.0000 174.0834 138 R 4.4712 8.6389 124.1041 54.3309 31.8273 177.5599 139 S 3.8374 8.3505 112.8213 60.6995 62.9375 174.5914 140 D 4.4560 7.7634 118.9119 52.9274 39.4039 176.7335 141 Y 3.6998 7.5307 116.6083 58.2465 36.5639 169.8313 142 S 4.2768 8.2564 115.2910 58.1781 63.8052 172.7505 143 A 5.2403 8.2928 123.5883 50.4605 20.9256 176.0280 144 L 4.8652 8.5728 120.4102 53.1713 45.2368 175.4955 145 A 5.0063 7.8762 121.3001 50.4648 22.4901 176.8397 146 G 3.8191 7.8679 106.5320 46.0947 0.0000 170.1882 147 H 4.6342 8.0388 119.9927 55.6259 30.9144 174.9919 148 L 4.4094 8.7441 129.2323 55.0209 42.0053 176.0285 149 L 4.5245 8.7040 126.8226 56.5368 43.1722 176.8327 150 S 4.8361 7.7452 109.9106 57.9404 66.2694 174.1128 151 A 4.9762 9.2355 121.1584 51.2199 23.1748 175.3171 152 I 4.7567 8.4912 123.7347 59.4128 39.2364 175.3246 153 Q 4.4341 8.8986 129.6508 56.7338 30.1587 175.2316 154 N 4.9594 9.2278 124.1891 49.2548 39.2936 173.0171 155 G 3.9052 8.5741 117.0990 43.9364 0.0000 172.1788 156 A 4.5747 8.4665 128.3845 50.7970 21.8544 176.6821 157 G 4.5375 8.1748 106.1912 45.8115 0.0000 172.0523 158 E 4.9497 8.5510 127.7306 54.0141 32.4586 175.3158 159 F 5.2826 9.1106 123.5279 55.4123 43.5123 174.4072 160 V 4.6912 9.1375 122.5535 61.2557 33.7354 174.3950 161 V 4.6508 8.9579 128.7881 61.2462 33.7159 173.6658 162 E 4.9279 9.0299 129.8947 54.9368 31.5316 173.9837 163 D 5.0476 8.8886 127.3267 53.0800 40.5022 175.7798 164 Y 4.5119 8.9443 124.3896 58.1861 39.2334 176.5600 165 S 3.9342 8.6309 114.3044 59.0649 61.1569 171.8212 166 E 4.7599 7.5861 115.0324 54.5435 33.5325 175.4200 167 R 4.1839 8.4517 122.0242 56.2970 31.0047 175.9339 168 I 4.6509 8.2539 124.5962 60.1885 41.4118 174.3832 169 S 5.4297 8.2270 122.0194 56.2543 65.4877 172.4016 170 R 5.1574 8.1518 116.8805 55.2333 34.3852 175.0214 171 T 4.5997 8.5822 117.0431 61.7406 72.9431 172.8171 172 Y 4.4368 8.6311 127.7941 57.6248 40.3139 173.8142 173 N 4.6314 8.6271 127.3168 51.6171 39.1517 173.9184 174 P 4.4055 0.0000 0.0000 65.2612 31.9959 177.6780 175 D 4.4739 8.0880 119.1075 56.9877 40.8941 177.5141 176 L 4.1536 7.9922 117.6067 55.2327 42.1248 177.5088 177 G 4.1006 8.2835 105.7814 45.5686 0.0000 172.8115 178 L 4.5981 6.8847 117.2887 52.3539 46.2175 175.7403 179 N 4.9709 8.5911 119.3147 52.6246 39.0448 174.4251 180 I 4.2975 8.1517 125.4844 59.0858 39.7914 175.1490 181 Y 4.5462 8.3536 122.7611 59.0751 38.7129 175.8296 182 D 4.4440 8.9485 122.4448 52.5893 43.6258 175.7856 183 F 4.7474 8.5493 124.1058 58.3515 39.6316 176.6540 184 E 4.3607 8.4302 120.6294 57.9515 30.2548 176.3925 185 R 4.1258 8.0868 118.4062 56.3277 29.7662 176.0621 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 43 N 8.41 4.34 0.00 2.61 2.73 0.00 0.00 6.99 6.66 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 *45 Y 7.81 5.00 0.00 3.31 3.22 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 46 S 9.14 5.18 0.00 3.88 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 0.00 47 Y 8.10 5.47 0.00 3.16 2.99 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 48 K 9.31 4.64 0.00 1.83 1.72 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.39 7.81 49 K 9.06 4.61 0.00 2.14 1.80 0.00 1.97 0.00 0.00 1.77 0.00 0.00 2.61 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 0.76 7.81 50 I 8.61 4.41 1.85 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 0.69 0.90 0.00 0.00 51 G 8.06 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 0.00 0.00 0.00 52 N 8.76 4.62 0.00 3.07 3.06 0.00 0.00 5.73 7.20 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 53 K 7.85 5.19 0.00 1.81 1.72 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.38 7.81 54 Y 9.15 5.29 0.00 2.81 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 55 I 8.98 4.69 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.95 0.92 0.00 0.00 56 V 9.11 4.56 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 0.61 0.00 0.00 -0.12 0.00 0.00 57 S 9.31 5.17 0.00 3.90 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 58 I 8.59 4.48 2.25 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.87 1.03 0.00 0.00 59 N 8.79 4.51 0.00 2.75 2.78 0.00 0.00 6.92 8.00 0.00 0.00 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 N 8.52 4.36 0.00 2.74 2.56 0.00 0.00 7.06 7.89 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 61 H 8.32 4.48 0.00 3.42 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.12 4.61 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 1.26 0.00 0.00 63 E 8.57 4.54 0.00 2.01 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 2.49 2.34 0.00 64 I 8.90 3.70 1.82 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.69 0.54 0.00 0.00 65 V 7.89 3.45 2.27 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 1.04 0.00 0.00 0.90 0.00 0.00 66 K 8.50 3.82 0.00 1.99 1.99 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.47 7.81 67 A 7.99 4.13 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.20 3.78 0.00 1.52 1.58 0.44 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.40 4.24 0.00 2.92 2.84 0.00 0.00 6.88 8.36 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 70 A 8.18 4.00 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 0.00 0.00 71 F 8.27 3.65 0.00 2.27 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 72 C 8.04 3.87 0.00 3.09 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 73 K 8.17 3.80 0.00 1.82 1.91 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.41 7.81 74 E 8.06 3.83 0.00 1.99 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 2.15 2.31 0.00 75 K 7.34 4.08 0.00 1.00 1.35 0.00 1.55 0.00 0.00 1.31 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 76 G 7.54 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 77 I 7.75 3.99 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.39 0.98 0.00 0.00 78 L 8.62 4.30 0.00 1.89 1.74 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 79 S 6.44 4.98 0.00 4.24 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 80 G 7.36 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 0.00 0.00 0.00 81 S 7.28 5.15 0.00 3.90 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 82 I 8.62 5.17 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.67 0.85 0.00 0.00 83 N 8.80 5.51 0.00 2.66 2.69 0.00 0.00 6.50 8.01 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 84 G 8.44 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 0.00 0.00 0.00 85 I 7.22 4.82 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.04 0.91 0.00 0.00 86 G 6.69 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 0.00 0.00 0.00 87 A 7.92 5.15 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 88 I 8.31 5.11 2.00 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 1.30 0.94 0.96 0.00 0.00 89 G 9.16 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 0.00 0.00 0.00 0.00 90 E 7.82 5.23 0.00 2.06 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 2.33 2.54 0.00 91 L 9.10 5.28 0.00 1.83 1.59 0.99 0.41 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 92 T 9.30 5.26 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 93 L 9.07 5.29 0.00 1.76 1.66 1.00 0.56 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 94 R 8.73 5.22 0.00 1.82 1.81 0.00 3.21 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.99 0.00 95 F 9.59 4.84 0.00 3.21 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 96 F 8.41 5.06 0.00 2.98 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 97 N 8.54 4.58 0.00 2.77 2.65 0.00 0.00 6.59 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 98 P 0.00 3.92 0.00 2.18 2.20 0.00 3.66 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 99 K 8.20 4.01 0.00 1.98 1.98 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.25 7.81 100 T 7.86 4.23 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 1.19 0.00 0.00 101 K 7.97 3.73 0.00 2.03 2.14 0.00 1.95 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.60 7.81 102 A 7.55 4.50 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 0.00 103 Y 7.95 5.57 0.00 3.14 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 0.00 104 D 9.52 4.96 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.86 5.49 0.00 2.62 2.69 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 0.00 106 K 9.16 4.41 0.00 1.73 1.61 0.00 1.45 0.00 0.00 1.53 0.00 0.00 2.21 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 1.00 7.81 107 T 8.26 5.04 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 1.26 0.00 0.00 108 F 9.48 4.67 0.00 2.99 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 0.00 109 R 8.32 5.25 0.00 1.66 1.86 0.00 3.25 0.00 0.00 3.28 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 110 E 8.45 4.74 0.00 2.04 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 2.21 2.19 0.00 111 Q 8.47 4.53 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 *113 E 8.46 4.11 0.00 1.96 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 0.00 2.29 2.31 0.00 114 I 8.78 4.55 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.89 1.04 0.00 0.00 115 S 8.82 4.30 0.00 3.90 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 0.00 116 N 7.82 4.79 0.00 2.76 2.67 0.00 0.00 6.66 6.66 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 0.00 117 L 8.95 5.24 0.00 1.90 1.84 0.88 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.56 5.22 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 0.00 119 G 8.14 4.07 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 0.00 0.00 0.00 120 N 8.71 5.74 0.00 2.98 3.01 0.00 0.00 7.20 8.35 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 0.00 121 I 8.64 5.22 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.08 0.92 0.00 0.00 122 S 9.15 5.30 0.00 4.25 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 0.00 123 S 8.91 5.52 0.00 3.88 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 N 8.25 4.64 0.00 2.70 2.85 0.00 0.00 6.71 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 0.00 126 E 8.37 4.13 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.88 0.00 127 Q 7.41 4.69 0.00 2.32 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.14 0.00 128 V 8.32 3.77 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 0.76 0.00 0.00 0.93 0.00 0.00 129 Y 9.15 4.58 0.00 3.02 2.79 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 0.00 130 L 8.06 5.06 0.00 1.37 1.45 0.88 1.00 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 0.00 131 H 9.04 4.82 0.00 3.26 3.31 0.00 5.54 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.51 5.20 0.00 1.59 1.49 0.81 1.00 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 0.00 133 H 9.29 5.52 0.00 3.00 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.50 5.09 1.90 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 1.26 1.41 0.93 0.00 0.00 135 T 9.10 5.20 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 1.22 0.00 0.00 136 V 9.01 4.94 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 0.69 0.00 0.00 0.77 0.00 0.00 137 G 8.95 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 0.00 0.00 0.00 0.00 138 R 8.64 4.47 0.00 1.97 1.80 0.00 3.01 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 139 S 8.35 3.84 0.00 3.83 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 0.00 140 D 7.76 4.46 0.00 2.80 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 0.00 141 Y 7.53 3.70 0.00 3.22 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 0.00 142 S 8.26 4.28 0.00 4.01 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 0.00 143 A 8.29 5.24 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 0.00 144 L 8.57 4.87 0.00 1.32 1.31 -0.07 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.88 5.01 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 0.00 146 G 7.87 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 0.00 147 H 8.04 4.63 0.00 3.13 3.41 0.00 5.86 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.74 4.41 0.00 1.70 1.77 0.99 0.85 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 0.00 149 L 8.70 4.52 0.00 1.65 1.66 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 150 S 7.75 4.84 0.00 3.94 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 A 9.24 4.98 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.49 4.76 1.91 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 1.14 0.79 0.96 0.00 0.00 153 Q 8.90 4.43 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 154 N 9.23 4.96 0.00 2.73 2.77 0.00 0.00 7.22 8.04 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 0.00 155 G 8.57 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 0.00 156 A 8.47 4.57 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 G 8.17 4.54 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 0.00 0.00 0.00 158 E 8.55 4.95 0.00 1.57 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 2.11 2.10 0.00 159 F 9.11 5.28 0.00 2.85 2.85 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 0.00 160 V 9.14 4.69 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 0.94 0.00 0.00 161 V 8.96 4.65 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 0.97 0.00 0.00 0.79 0.00 0.00 162 E 9.03 4.93 0.00 2.13 1.75 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 2.35 2.44 0.00 163 D 8.89 5.05 0.00 2.87 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 0.00 164 Y 8.94 4.51 0.00 2.96 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 0.00 165 S 8.63 3.93 0.00 4.05 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 0.00 166 E 7.59 4.76 0.00 1.94 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 167 R 8.45 4.18 0.00 1.80 1.86 0.00 3.20 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 168 I 8.25 4.65 2.02 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 1.31 0.76 0.97 0.00 0.00 169 S 8.23 5.43 0.00 4.03 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 0.00 170 R 8.15 5.16 0.00 1.36 1.46 0.00 2.22 0.00 0.00 2.91 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 171 T 8.58 4.60 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 1.19 0.00 0.00 172 Y 8.63 4.44 0.00 3.10 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 N 8.63 4.63 0.00 2.60 2.42 0.00 0.00 6.53 7.26 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 0.00 174 P 0.00 4.41 0.00 2.27 2.33 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 175 D 8.09 4.47 0.00 2.80 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 0.00 176 L 7.99 4.15 0.00 1.46 1.67 0.85 0.90 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 0.00 177 G 8.28 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 6.88 4.60 0.00 1.32 1.28 0.83 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 179 N 8.59 4.97 0.00 2.39 2.38 0.00 0.00 6.87 7.45 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 0.00 180 I 8.15 4.30 1.74 0.00 0.00 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 1.22 0.80 0.82 0.00 0.00 181 Y 8.35 4.55 0.00 2.53 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 0.00 0.00 0.00 182 D 8.95 4.44 0.00 2.56 2.42 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 0.00 183 F 8.55 4.75 0.00 3.05 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 0.00 184 E 8.43 4.36 0.00 2.10 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 2.33 2.39 0.00 185 R 8.09 4.13 0.00 1.91 1.90 0.00 3.17 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.