NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 S 4.3941 8.3344 116.7844 59.5107 65.4225 174.3922 17 H 3.4351 7.6150 127.2662 55.4484 30.3416 176.3081 *19 F 4.6197 9.4625 110.0857 56.8286 39.5421 173.6885 20 D 4.5297 8.8635 120.9538 56.2399 42.1481 175.9305 21 Y 5.1043 7.0109 118.9239 57.3125 42.3134 174.2676 *23 F 5.0890 8.5443 120.9920 58.4810 40.9250 173.9887 24 K 4.9634 8.7862 124.9073 55.3315 33.3551 175.5378 25 I 4.7531 8.9671 127.7062 59.4583 41.0910 174.2790 26 L 5.1418 8.1115 125.7808 52.9169 44.4599 175.4169 27 I 4.8672 8.3740 123.8302 59.5822 39.5413 174.7874 28 I 4.3035 9.8829 120.7177 58.2354 41.1259 174.8280 29 G 3.7263 7.3523 111.7415 43.3823 0.0000 172.2204 30 N 4.7020 8.3893 117.5806 53.2811 39.1616 174.9573 31 S 4.2615 8.6109 115.2256 60.1302 61.9535 174.8765 32 S 3.6851 8.9080 120.5980 58.7082 60.3389 172.1485 33 V 3.6834 7.3650 113.9017 62.8309 31.7808 176.7525 34 G 4.2277 7.5388 109.6310 45.9623 0.0000 176.5938 35 K 3.9378 8.4370 119.8355 59.5454 32.3516 178.7706 36 T 3.9722 7.9760 115.4035 66.8263 68.4794 176.5208 37 S 4.4322 8.3599 116.5247 61.9158 62.5089 176.3387 38 F 4.1635 8.3323 122.6766 61.3773 39.0345 176.8210 39 L 4.1202 8.0345 119.4747 58.2445 42.0675 178.7502 40 F 4.5208 8.6424 118.2092 60.7565 38.9816 177.7277 41 R 4.1653 8.3515 118.2043 58.9548 29.6544 177.6837 42 Y 4.1152 7.4268 117.9579 60.7033 38.9432 176.5317 43 A 3.8806 8.4397 121.6594 53.3381 18.6729 177.6179 44 D 4.4450 7.8692 116.6711 53.2301 42.5220 176.1196 45 D 4.6711 8.2447 117.9895 53.1967 39.3676 172.8106 46 S 4.5639 7.7045 112.4812 56.9653 66.2395 174.1704 47 F 4.9918 8.7344 126.9208 56.6675 41.5475 175.2608 48 T 4.0550 6.9180 122.2362 61.2859 70.4781 172.8637 49 P 3.9249 0.0000 0.0000 64.6499 31.6414 177.0956 50 A 4.1579 7.3314 120.2827 51.9329 18.7199 177.1807 51 F 4.9275 8.4349 121.1591 56.4703 39.9940 174.2199 52 V 3.9219 8.1566 127.0882 60.1012 31.0731 174.8266 53 S 4.2755 7.8108 120.5681 58.7078 62.6463 174.3441 54 T 3.9526 8.5222 124.0351 63.5843 68.7777 174.8186 55 V 3.6018 8.1643 126.1140 61.8542 32.0178 177.0477 56 G 3.2510 7.4810 121.2807 45.2939 0.0000 172.5171 57 I 5.0810 8.0292 110.3093 59.7608 42.1772 174.9683 58 D 4.5617 8.6301 120.1223 54.0204 45.0766 173.8810 59 F 5.0781 7.6186 115.9700 55.7032 40.9004 173.1568 60 K 4.5499 8.8425 117.4435 54.6893 36.6832 175.5804 61 V 4.8383 8.1712 121.3194 61.2132 34.3602 174.9400 62 K 4.4216 8.7332 127.7558 55.6093 35.7510 174.4655 63 T 4.9943 8.4734 124.5417 62.2454 70.1053 173.9954 64 I 4.7121 8.9098 118.7485 59.2570 41.6728 173.6266 65 Y 5.0045 8.4987 123.0860 56.0365 41.1389 174.2096 66 R 4.4599 8.1881 126.2925 55.7032 33.6537 174.2305 67 N 4.3003 9.1612 118.4550 55.1218 35.9068 173.8175 68 D 4.3219 7.9575 110.2366 53.7212 39.1557 174.1572 69 K 4.4554 6.8183 115.8221 54.6028 36.2579 175.7514 70 R 4.7868 9.4539 122.4956 55.6730 31.4467 175.4344 71 I 4.5798 8.9735 125.8484 59.1717 39.9678 174.5857 72 K 4.3523 8.4953 129.5843 55.0303 33.1426 175.4734 73 L 4.7182 8.8197 128.4870 53.3072 43.8753 175.4238 74 Q 4.7463 9.1369 126.8656 54.7280 30.2349 173.9946 75 I 4.8003 8.5837 128.8801 59.7229 38.8571 175.1147 76 W 5.0295 9.8390 128.8890 55.6503 31.0236 175.1412 77 D 5.1124 9.5733 124.6035 52.8851 42.4957 175.1939 78 T 4.7499 8.1012 115.3922 60.0801 71.1277 174.2627 79 A 4.2979 8.4704 125.5509 51.8337 18.5625 178.3981 80 G 3.8948 9.0618 111.4769 47.8003 0.0000 174.6058 81 L 4.1881 8.1787 120.2181 54.7720 42.2165 177.6519 82 E 4.1229 9.0091 123.4268 58.3658 29.9550 178.7595 83 R 3.8111 8.0454 117.9390 59.8193 30.3296 177.0785 84 Y 4.7714 7.7358 113.5625 57.8774 38.1708 177.3532 85 R 3.9740 7.5708 120.7275 60.3869 30.1045 178.3626 86 T 3.7187 7.8979 114.4607 66.7675 68.2760 176.3067 87 I 3.9577 7.7491 119.1132 64.0776 38.5737 177.5184 88 T 4.3312 8.3688 111.2958 64.9269 68.8681 176.9233 89 T 2.8246 8.2077 112.4738 63.6876 68.3514 176.3793 90 A 3.9149 7.3095 121.6337 54.4889 18.7757 178.0612 91 Y 4.1659 7.8625 113.3578 58.4725 38.1196 177.2433 92 Y 4.3988 8.1480 120.0443 61.1478 37.9462 178.1217 93 R 4.3922 8.4947 114.4837 58.4923 29.4678 177.1480 94 G 3.7629 7.5554 104.7853 45.8334 0.0000 173.8344 95 A 4.0793 7.8566 123.2561 51.5321 19.5419 176.4868 *97 G 3.7985 8.2204 103.5398 46.4292 0.0000 172.2907 98 F 5.2662 9.4413 120.3186 55.3344 43.2892 174.5835 99 I 4.5683 8.5633 122.4938 59.6979 39.3459 174.4063 100 L 5.4031 8.7765 129.8263 52.8052 44.4738 174.9280 *102 Y 4.8621 8.1282 121.2110 56.9672 40.3733 172.8145 103 D 5.0964 8.7960 119.9974 53.0706 42.5334 177.0931 104 I 4.2643 8.7462 118.9774 62.5254 37.9327 176.9736 105 T 4.8155 9.1695 111.1098 60.5429 68.8990 174.2415 106 N 4.8321 8.1436 120.2147 51.2478 41.2732 174.0154 107 E 4.0184 8.8280 129.2846 59.3296 29.8335 177.7948 108 E 3.9744 8.3767 118.9654 59.6414 29.4692 178.7130 109 S 4.3158 9.1791 113.2840 61.7791 62.9060 175.9497 110 F 4.0510 8.1190 124.0936 60.8308 38.8568 177.0286 111 N 4.1956 8.3360 115.5700 55.7535 38.6090 176.8919 112 A 4.0782 8.1851 122.1555 54.1649 18.3328 179.4310 113 V 3.7158 7.2082 117.5969 66.6316 31.5490 177.5746 114 Q 3.8936 8.0506 118.2990 59.5498 28.6248 178.4341 115 D 4.2243 7.9890 119.3086 57.3531 40.8545 178.6807 116 W 4.4530 8.0691 118.7849 60.0191 29.0300 178.2422 117 S 4.2766 8.6299 113.2059 61.8103 61.8452 176.4740 118 T 3.8213 7.7924 118.0174 66.7460 68.2741 176.1561 119 Q 4.0930 8.5214 121.8746 59.6990 28.8266 178.9955 120 I 3.8849 8.1130 120.6428 64.2950 36.8993 178.5430 121 K 3.9651 7.7778 118.3987 59.5219 31.8514 179.4387 122 T 3.8378 7.7435 115.2908 66.4657 68.6153 175.3133 123 Y 4.4928 7.5043 115.0427 57.7212 38.1561 175.1615 124 S 5.0142 7.5516 114.2657 55.8098 66.1254 173.5073 125 W 4.1390 8.7640 121.1292 56.1242 30.2496 176.6991 126 D 4.5564 8.9726 118.4730 57.8818 40.3210 178.9068 127 N 4.4279 8.3277 113.8010 54.6862 38.7458 174.8621 128 A 3.9624 7.3396 120.2258 52.9119 18.7956 176.8057 129 Q 4.4855 8.6089 121.9833 55.1384 30.5977 175.1232 130 V 4.6675 8.1163 122.1684 60.8934 35.0687 173.8149 131 L 4.9709 8.6782 127.1856 52.7898 44.9205 175.1118 132 L 4.9809 9.0530 126.7322 54.2202 43.4237 175.2006 133 V 4.5716 8.5923 127.1700 61.0031 33.6732 175.1275 134 G 3.0962 8.5790 116.3250 44.6228 0.0000 172.6065 135 N 5.0799 8.6021 126.4732 52.5039 41.3706 174.5939 136 K 4.7048 8.8249 117.3089 58.1541 28.8972 177.5956 137 C 4.2391 8.1106 109.9433 59.1102 29.8324 173.9646 138 D 4.5702 7.8161 121.8801 52.9984 38.2058 177.4584 *140 E 4.3572 7.7855 116.9677 56.9883 32.0164 177.7009 141 D 4.4880 8.2029 117.8911 56.5579 41.2458 176.8438 142 E 4.5357 7.9684 116.4621 55.7582 29.8133 175.2077 143 R 4.2035 7.9374 120.2119 56.7086 30.3997 176.4672 144 V 4.2877 8.6528 117.7005 60.8205 34.0442 175.8171 145 V 4.0999 7.5917 119.3191 60.5846 33.1488 175.1703 146 S 4.4978 8.1313 121.4290 57.5518 64.3910 175.1149 147 S 4.3628 8.7641 118.4933 62.2166 62.5778 176.9822 148 E 3.9036 8.1393 120.4708 59.2059 29.0639 179.5714 149 R 4.0107 7.9343 118.4468 58.8723 30.2271 179.0404 150 G 3.5187 7.7066 104.9497 47.7478 0.0000 175.1960 151 R 3.2060 7.2360 122.0985 58.9254 30.1025 178.1754 152 Q 3.8692 7.8686 119.0140 59.0547 28.9845 178.1775 153 L 3.8224 8.1743 121.4309 57.9870 42.1159 178.5085 154 A 3.9969 8.4118 121.0673 55.5905 18.0022 179.4035 155 D 4.3037 8.2655 117.2988 57.7580 40.6637 178.4997 156 H 4.1215 7.9196 117.3642 58.1747 29.9393 176.2644 157 L 4.1574 7.4659 118.6297 53.5899 41.9743 176.9051 158 G 3.8646 7.3284 106.5817 46.1846 0.0000 173.2463 159 F 5.3655 8.0408 117.3095 55.4019 41.8267 175.5754 160 E 4.5799 8.5348 119.8794 56.2055 31.0141 175.5127 161 F 5.7005 8.8315 123.8679 56.6955 42.1138 174.3002 162 F 4.2875 8.3422 123.1870 55.4204 43.5537 173.0276 163 E 4.7519 8.4521 122.5343 54.4651 31.8041 174.5796 164 A 4.8110 8.7257 127.4929 51.1640 23.9092 174.0896 165 S 5.0479 9.0604 111.5782 56.8366 65.5452 174.7557 166 A 3.8748 9.3557 130.8723 55.2287 18.7723 178.8688 167 K 2.4800 7.4483 115.3966 59.0317 31.9238 178.2774 168 D 4.5438 7.1902 116.0745 57.9845 41.6970 177.7995 169 N 3.8547 7.3342 113.1236 54.9824 37.0653 172.7587 170 I 4.3647 7.6816 124.0858 60.0872 40.9907 174.5519 171 N 4.1167 9.0409 123.7205 54.5504 37.9235 175.6632 172 V 3.6607 7.5949 117.3040 64.7176 31.7876 178.2169 173 K 4.0957 8.0000 119.5726 58.9910 32.0330 179.1899 174 Q 4.0106 8.0791 117.4615 58.7066 28.5778 178.9072 175 T 2.9488 7.6198 117.2164 66.3744 68.4889 176.7791 176 F 3.9084 7.6086 119.0264 60.6311 38.8903 177.5217 177 E 4.0512 8.5223 118.4387 59.2798 29.1280 179.3949 178 R 3.9445 7.6302 118.5158 58.9345 30.0096 178.0491 179 L 3.8315 7.7954 120.2987 58.0756 42.0312 178.7552 180 V 3.8135 8.1741 118.3886 66.6657 31.4282 177.9101 181 D 4.4106 8.1872 118.1877 57.2034 40.7052 179.0098 182 V 3.5964 8.0510 119.0422 66.0627 31.3334 178.2052 183 I 3.5736 7.8063 118.7125 64.5005 36.9328 177.8320 184 C 4.3101 8.2264 116.8867 63.0208 28.2706 175.8593 185 E 4.1855 8.4412 120.0525 58.6225 29.0489 178.2211 186 K 3.9857 7.6705 119.2004 57.0138 32.7741 178.4149 *188 S 4.3595 8.1089 114.2108 57.6465 64.0705 175.0288 189 E 4.1469 8.0193 120.3185 58.4182 29.4824 177.3108 190 S 4.3559 7.8833 111.1943 59.0617 63.1768 174.4768 191 L 4.4311 7.0758 120.5952 53.4603 41.5849 175.9378 192 D 4.7034 8.4541 121.2167 54.5179 42.1287 173.3554 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 16 S 8.33 4.39 0.00 3.75 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 17 H 7.62 3.44 0.00 3.40 2.17 0.00 5.76 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *19 F 9.46 4.62 0.00 3.21 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 20 D 8.86 4.53 0.00 1.91 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 21 Y 7.01 5.10 0.00 2.47 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *23 F 8.54 5.09 0.00 2.93 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 24 K 8.79 4.96 0.00 1.83 1.81 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.70 7.81 25 I 8.97 4.75 1.98 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 1.24 0.97 0.97 0.00 0.00 26 L 8.11 5.14 0.00 0.81 1.17 0.58 0.55 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 27 I 8.37 4.87 1.87 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.45 0.85 0.00 0.00 28 I 9.88 4.30 1.32 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 1.08 0.42 0.89 0.00 0.00 29 G 7.35 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 30 N 8.39 4.70 0.00 3.06 2.97 0.00 0.00 6.43 7.55 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 31 S 8.61 4.26 0.00 4.04 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 32 S 8.91 3.69 0.00 4.01 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 33 V 7.36 3.68 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 0.78 0.00 0.00 0.99 0.00 0.00 34 G 7.54 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 35 K 8.44 3.94 0.00 1.83 1.94 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.47 7.81 36 T 7.98 3.97 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 1.43 0.00 0.00 37 S 8.36 4.43 0.00 4.12 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 0.00 38 F 8.33 4.16 0.00 3.39 3.28 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 39 L 8.03 4.12 0.00 1.88 1.74 0.90 0.87 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 40 F 8.64 4.52 0.00 3.17 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 41 R 8.35 4.17 0.00 2.02 2.19 0.00 3.31 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 42 Y 7.43 4.12 0.00 2.82 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 43 A 8.44 3.88 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 44 D 7.87 4.45 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 45 D 8.24 4.67 0.00 2.75 2.64 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 46 S 7.70 4.56 0.00 3.90 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 47 F 8.73 4.99 0.00 2.92 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 48 T 6.92 4.06 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 1.08 0.00 0.00 49 P 0.00 3.92 0.00 1.96 2.14 0.00 3.47 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 50 A 7.33 4.16 1.21 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 0.00 0.00 51 F 8.43 4.93 0.00 2.85 2.94 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 52 V 8.16 3.92 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 0.82 0.00 0.00 0.91 0.00 0.00 53 S 7.81 4.28 0.00 3.59 3.70 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 54 T 8.52 3.95 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 1.17 0.00 0.00 55 V 8.16 3.60 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 0.76 0.00 0.00 0.94 0.00 0.00 56 G 7.48 3.25 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 0.00 57 I 8.03 5.08 1.97 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 0.96 0.57 0.89 0.00 0.00 58 D 8.63 4.56 0.00 2.63 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 59 F 7.62 5.08 0.00 2.14 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 60 K 8.84 4.55 0.00 1.52 1.52 0.00 1.22 0.00 0.00 1.38 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.12 1.06 7.81 61 V 8.17 4.84 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 0.68 0.00 0.00 0.97 0.00 0.00 62 K 8.73 4.42 0.00 1.66 1.45 0.00 1.14 0.00 0.00 1.07 0.00 0.00 2.13 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.14 1.20 7.81 63 T 8.47 4.99 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 64 I 8.91 4.71 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.93 0.88 0.00 0.00 65 Y 8.50 5.00 0.00 3.07 2.88 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 66 R 8.19 4.46 0.00 1.82 1.63 0.00 3.34 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 67 N 9.16 4.30 0.00 2.89 2.88 0.00 0.00 7.05 8.06 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 68 D 7.96 4.32 0.00 2.77 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 69 K 6.82 4.46 0.00 1.71 1.22 0.00 1.39 0.00 0.00 1.52 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.69 7.81 70 R 9.45 4.79 0.00 1.77 1.97 0.00 3.16 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.82 0.00 71 I 8.97 4.58 1.70 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 0.95 0.67 0.31 0.00 0.00 72 K 8.50 4.35 0.00 0.79 0.81 0.00 0.95 0.00 0.00 0.70 0.00 0.00 2.72 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.00 1.04 7.81 73 L 8.82 4.72 0.00 1.64 1.60 1.04 0.61 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 74 Q 9.14 4.75 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.81 0.00 0.00 0.00 0.00 0.00 1.85 1.94 0.00 75 I 8.58 4.80 1.86 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.83 1.06 0.00 0.00 76 W 9.84 5.03 0.00 3.15 3.10 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 77 D 9.57 5.11 0.00 2.70 2.48 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 78 T 8.10 4.75 4.38 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 1.32 0.00 0.00 79 A 8.47 4.30 1.46 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 80 G 9.06 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 0.00 0.00 0.00 81 L 8.18 4.19 0.00 1.94 1.71 1.07 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 82 E 9.01 4.12 0.00 2.01 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 0.00 2.36 2.28 0.00 83 R 8.05 3.81 0.00 1.59 1.43 0.00 3.02 0.00 0.00 2.47 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.35 0.00 84 Y 7.74 4.77 0.00 3.14 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 85 R 7.57 3.97 0.00 2.15 1.95 0.00 3.08 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 86 T 7.90 3.72 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 1.19 0.00 0.00 87 I 7.75 3.96 2.01 0.00 0.00 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 1.94 0.98 1.21 0.00 0.00 88 T 8.37 4.33 4.51 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 1.39 0.00 0.00 89 T 8.21 2.82 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 0.72 0.00 0.00 90 A 7.31 3.91 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0.00 0.00 0.00 0.00 2.44 2.52 0.00 109 S 9.18 4.32 0.00 4.24 4.16 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 0.00 110 F 8.12 4.05 0.00 2.85 3.19 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 0.00 111 N 8.34 4.20 0.00 2.88 2.83 0.00 0.00 6.99 8.17 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 0.00 112 A 8.19 4.08 1.52 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 0.00 113 V 7.21 3.72 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 1.09 0.00 0.00 0.97 0.00 0.00 114 Q 8.05 3.89 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 115 D 7.99 4.22 0.00 2.64 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 0.00 116 W 8.07 4.45 0.00 3.61 3.29 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 0.00 117 S 8.63 4.28 0.00 4.04 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 0.00 118 T 7.79 3.82 4.38 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 1.17 0.00 0.00 119 Q 8.52 4.09 0.00 2.34 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.77 2.67 0.00 120 I 8.11 3.88 1.91 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.69 0.33 0.00 0.00 121 K 7.78 3.97 0.00 1.89 1.84 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.71 1.64 7.81 122 T 7.74 3.84 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 0.41 0.00 0.00 123 Y 7.50 4.49 0.00 2.92 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 0.00 124 S 7.55 5.01 0.00 4.28 4.16 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 0.00 125 W 8.76 4.14 0.00 3.57 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0.00 0.00 0.00 0.00 2.33 2.34 0.00 143 R 7.94 4.20 0.00 1.78 1.96 0.00 3.18 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 144 V 8.65 4.29 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 0.80 0.00 0.00 0.99 0.00 0.00 145 V 7.59 4.10 1.93 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 -0.44 0.00 0.00 0.68 0.00 0.00 146 S 8.13 4.50 0.00 4.01 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 0.00 147 S 8.76 4.36 0.00 3.93 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 0.00 148 E 8.14 3.90 0.00 1.97 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 0.00 2.38 2.39 0.00 149 R 7.93 4.01 0.00 1.80 1.90 0.00 3.07 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 150 G 7.71 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 0.00 151 R 7.24 3.21 0.00 1.75 1.92 0.00 3.09 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 152 Q 7.87 3.87 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 153 L 8.17 3.82 0.00 1.88 1.82 0.72 0.37 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 0.00 154 A 8.41 4.00 1.52 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 0.00 155 D 8.27 4.30 0.00 2.81 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 0.00 156 H 7.92 4.12 0.00 3.19 3.39 0.00 5.74 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.47 4.16 0.00 0.59 0.13 0.70 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 158 G 7.33 3.86 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 0.00 0.00 0.00 159 F 8.04 5.37 0.00 2.93 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 0.00 160 E 8.53 4.58 0.00 2.15 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 2.45 2.51 0.00 161 F 8.83 5.70 0.00 3.05 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 0.00 162 F 8.34 4.29 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 E 8.45 4.75 0.00 1.75 1.73 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 2.15 2.35 0.00 164 A 8.73 4.81 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 S 9.06 5.05 0.00 3.98 3.62 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 0.00 166 A 9.36 3.87 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 0.00 167 K 7.45 2.48 0.00 0.79 1.39 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.11 0.87 7.81 168 D 7.19 4.54 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.33 3.85 0.00 2.72 3.12 0.00 0.00 6.72 7.43 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 0.00 170 I 7.68 4.36 1.86 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 1.19 1.34 1.00 0.00 0.00 171 N 9.04 4.12 0.00 2.90 2.95 0.00 0.00 7.19 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 0.00 172 V 7.59 3.66 1.62 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 0.75 0.00 0.00 0.14 0.00 0.00 173 K 8.00 4.10 0.00 1.90 2.06 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.84 1.64 7.81 174 Q 8.08 4.01 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 175 T 7.62 2.95 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 176 F 7.61 3.91 0.00 2.43 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 0.00 177 E 8.52 4.05 0.00 2.01 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 0.00 2.43 2.69 0.00 178 R 7.63 3.94 0.00 1.90 1.71 0.00 3.23 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 179 L 7.80 3.83 0.00 1.84 1.69 0.84 0.67 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 0.00 180 V 8.17 3.81 2.31 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 1.21 0.00 0.00 1.13 0.00 0.00 181 D 8.19 4.41 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 0.00 182 V 8.05 3.60 2.32 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 1.02 0.00 0.00 1.01 0.00 0.00 183 I 7.81 3.57 1.76 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.72 -0.14 0.00 0.00 184 C 8.23 4.31 0.00 3.18 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 0.00 185 E 8.44 4.19 0.00 2.15 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 2.67 0.00 186 K 7.67 3.99 0.00 2.00 1.75 0.00 1.54 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.45 7.81 *188 S 8.11 4.36 0.00 3.93 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 0.00 189 E 8.02 4.15 0.00 2.16 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 2.32 2.25 0.00 190 S 7.88 4.36 0.00 4.03 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 0.00 191 L 7.08 4.43 0.00 1.67 1.63 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 192 D 8.45 4.70 0.00 2.77 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 * Residues marked with a * may have inaccurate shift predictions.