NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.0225 8.2549 119.5395 55.7289 31.5783 174.8548 7 T 4.3213 6.0659 110.7862 61.2832 72.2058 174.4873 8 Y 4.7698 7.3801 125.0963 57.4698 43.2838 171.3476 9 S 4.2768 7.7676 118.8934 58.1567 68.1008 177.9337 10 K 4.1168 8.4172 121.0653 55.6749 33.1456 177.2546 11 T 3.7188 8.3406 108.5610 65.3960 68.3648 175.9902 12 Y 3.9615 7.8796 119.7996 59.9386 38.3062 177.4800 13 S 4.4125 7.9772 113.4500 59.9121 63.0574 175.8595 14 T 3.9844 7.5794 116.9189 66.9489 68.2675 174.1404 15 P 4.4706 0.0000 0.0000 64.3911 31.2967 178.5280 16 K 4.0888 7.7004 117.0537 58.8506 32.4357 178.6850 17 R 4.0952 7.9408 117.5423 58.6959 30.2178 175.4920 18 P 4.3442 0.0000 0.0000 64.1322 32.3219 176.2549 19 Y 5.0497 6.9312 126.2844 58.1421 46.8829 176.3472 20 E 4.1560 8.7792 121.9647 55.9876 31.3819 177.7909 21 S 4.2798 8.4833 117.0612 59.0434 63.2042 175.1760 *56 A 4.2989 8.2825 121.7706 51.9772 19.1250 179.9489 57 R 3.8059 9.0066 118.3686 58.4016 30.9562 177.8223 58 D 4.3752 7.9474 116.8153 57.1549 41.0424 178.1282 59 L 4.1062 7.8409 120.5369 57.8173 42.2581 178.8826 60 L 3.9886 7.4871 118.9245 57.8947 41.4621 178.6879 61 T 4.1765 7.4403 109.3360 63.2598 67.6611 175.1346 62 R 4.3267 7.6547 119.6346 58.4798 30.4051 177.3930 63 D 4.4083 7.7089 117.2105 56.9489 41.3814 177.1198 64 E 4.3583 7.9585 115.4691 56.5148 29.9181 176.8564 65 K 4.3936 7.6479 119.7444 58.2450 33.9419 177.5827 66 D 4.4533 8.0840 119.0505 56.5135 40.9048 176.6742 67 P 4.6400 0.0000 0.0000 64.3580 31.6478 177.5557 68 K 4.2076 7.9350 119.1377 59.3179 32.4927 178.1898 69 R 4.2208 7.8959 117.8542 58.3910 29.7672 178.4678 70 L 3.9670 7.6113 119.5114 58.3123 42.1542 178.5601 71 F 4.6423 8.2057 118.6980 58.7705 39.9620 174.8162 72 E 4.4348 8.7681 116.5014 55.2745 31.0399 176.7183 73 G 4.1328 10.9157 103.0042 46.3361 0.0000 173.3600 74 N 4.8872 7.8162 126.3984 52.5168 39.7444 173.8577 75 A 4.6765 7.6559 121.5963 50.4809 21.4917 176.4277 76 L 4.6952 8.1689 121.4620 53.0857 45.0674 175.9687 77 I 4.1021 7.9487 117.4396 63.4745 38.9590 177.8911 78 R 3.9293 7.8571 118.7869 59.2873 29.9897 178.9618 79 R 4.1827 7.8327 115.2827 57.6746 30.5678 177.9392 80 L 4.1571 7.5818 119.4007 57.1298 41.7867 178.7150 81 V 3.5885 7.3571 117.2516 66.0726 31.1638 178.1800 82 R 3.8822 7.8831 117.3237 59.2176 29.5733 179.0191 83 V 3.4722 7.4231 117.3193 65.6177 31.6628 175.2013 84 G 3.1804 7.2304 108.3807 45.3459 0.0000 175.5881 85 V 3.6953 8.0740 122.3736 65.3649 31.8101 176.5191 86 L 4.5019 7.6915 117.2440 56.8612 44.0453 177.3666 87 S 4.6122 7.7427 115.7630 59.0605 62.6485 176.3153 88 E 3.9714 7.0520 134.9921 58.8299 27.9692 178.5265 89 D 4.4547 9.3912 129.0191 57.8885 41.9410 178.6166 90 K 4.1065 7.7478 118.6990 58.8185 32.1525 178.2420 91 K 4.1976 7.9657 119.0276 58.5155 32.3151 178.4230 92 K 4.2195 7.9874 118.0569 57.1297 32.5029 176.8268 93 L 4.9756 7.2926 117.3858 53.8415 43.3215 176.2173 94 D 4.4770 8.8387 119.8717 56.9488 41.3776 176.9704 95 Y 3.4654 8.6460 116.9596 59.9860 37.7743 178.1189 96 V 3.1554 7.8396 119.3045 62.3684 29.5169 175.0618 97 L 4.0815 8.0324 130.9324 57.5276 41.2549 178.8528 98 A 4.0184 7.9157 120.8499 54.9261 18.4559 179.0178 99 L 4.2834 7.6412 119.4068 56.8623 42.1893 179.1708 100 K 3.8466 7.8392 118.6730 59.1241 30.5903 179.2684 101 V 4.0119 7.7349 119.2278 64.2468 31.2725 178.5138 102 E 4.0938 7.8142 119.5019 59.3404 29.2883 178.3263 103 D 4.3667 7.9597 118.0111 57.6461 41.3592 178.5181 104 F 4.4402 7.7077 117.5186 60.5225 38.6794 177.4498 105 L 4.2923 7.4904 116.5000 56.7071 41.7040 178.4652 106 E 4.6375 7.6548 116.4339 57.8641 30.1612 178.6888 107 R 4.1684 7.9012 119.3353 57.7608 29.9404 177.0781 108 R 4.3451 7.5317 118.6548 56.0164 30.6496 177.4913 109 L 3.8252 8.7330 124.5936 57.8820 41.9592 178.3601 110 Q 4.1043 8.1638 118.5676 60.0308 28.7509 178.6904 111 T 4.1536 7.9003 115.8120 65.7803 68.2810 176.2130 112 Q 3.9956 7.6518 117.9140 57.3835 29.2428 177.8750 113 V 3.7117 7.7043 120.5900 65.5949 30.0056 177.0688 114 Y 3.8646 7.6057 119.5042 60.6922 38.4342 178.2147 115 K 4.2532 7.6126 117.1735 58.6559 32.1041 179.0285 116 L 4.0860 7.0152 118.8247 57.8626 42.8780 178.4464 117 G 3.6611 8.0248 104.1988 46.2113 0.0000 172.7538 118 L 4.2917 6.9966 118.2935 55.6909 44.6397 175.1009 119 A 4.3712 7.5655 121.7416 51.3029 19.7656 177.4812 120 K 3.9396 8.9707 123.2974 59.0462 32.7327 177.3471 121 S 5.0346 7.7399 112.0002 56.2371 64.4147 174.8498 122 V 3.7009 8.4997 123.7809 66.1267 31.4699 177.1567 123 H 4.7851 7.9289 113.7912 56.1343 28.8739 175.6774 124 H 4.7344 8.0672 121.0214 57.2484 29.0704 175.4579 125 A 4.3375 7.7098 120.3296 52.4820 18.3488 178.9597 126 R 3.9765 7.7121 118.1373 58.9775 30.1497 178.2235 127 V 3.7860 7.3766 116.7316 64.7471 32.2713 176.8838 128 L 4.1964 7.6556 116.2222 55.5090 41.4483 178.1581 129 I 3.9563 7.1263 118.6707 63.1114 38.2920 177.4151 130 T 3.7850 7.1672 113.2075 64.9391 67.2753 174.5908 131 Q 4.1803 7.9244 119.4038 55.9445 28.9994 175.5724 132 R 3.9046 7.6364 113.6523 58.1501 28.2332 177.4302 133 H 4.1923 8.2670 118.8038 59.3609 30.0941 174.9332 134 I 4.3095 7.6801 121.3951 60.9906 37.0026 175.1157 135 A 4.7974 8.5677 129.7086 50.2063 21.4085 175.5016 136 V 4.2156 9.5907 122.9236 61.8699 33.5729 173.6396 137 G 3.7754 8.4051 122.7778 45.4559 0.0000 172.8739 138 K 4.1488 7.4469 121.5729 55.1987 33.2611 176.9128 139 Q 4.4843 8.2931 122.8601 54.9438 32.3693 173.6220 140 I 4.1749 8.1953 119.2155 60.4029 38.6675 176.1857 141 V 3.2685 7.8375 115.4664 61.3465 31.9786 175.6071 142 N 4.4667 6.9920 117.9623 54.5301 39.8546 175.2924 143 I 4.4484 6.8555 118.6086 58.8996 39.2298 174.9111 144 P 4.5063 0.0000 0.0000 64.2767 31.5037 176.8274 145 S 4.5061 7.9209 114.5257 58.4470 62.9369 173.6618 146 F 4.1478 7.6912 122.7493 59.3736 39.1098 174.6964 147 M 4.4140 8.2416 128.7312 53.2023 31.6299 176.0887 148 V 4.3464 8.3732 130.2619 61.8247 32.5284 177.4280 149 R 4.5099 8.3350 115.4745 55.3809 32.1085 173.4970 150 L 4.1027 8.8952 125.4721 58.7206 42.5634 177.9659 151 D 4.5542 8.2209 116.7417 57.6339 40.7619 177.9939 152 S 4.4250 7.7662 112.5837 57.9064 63.6292 173.3391 153 E 4.3405 8.4619 119.9325 56.2750 30.1841 176.2393 154 K 4.6983 8.4410 121.8642 55.6774 34.9982 174.8623 155 H 4.7478 8.3802 120.8485 56.1257 33.8073 172.1779 156 I 4.6535 7.4891 119.6252 59.6675 39.1259 175.3531 157 D 4.6623 8.0940 123.5900 53.2562 42.1223 176.3909 158 F 4.1089 8.8702 123.3805 61.3106 39.8350 176.2218 159 A 4.0852 8.1481 123.2360 54.7639 18.3536 177.6348 160 P 4.8346 0.0000 0.0000 63.2544 31.7844 176.2827 161 T 3.7529 7.4486 116.8157 65.2044 68.4001 174.3717 162 S 3.6181 8.6229 121.3634 58.0358 60.9203 170.4769 163 P 4.3859 0.0000 0.0000 63.7209 31.1181 177.1662 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 6 R 8.25 4.02 0.00 0.97 1.80 0.00 3.11 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.34 0.00 7 T 6.07 4.32 4.36 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 0.00 0.00 0.00 1.26 0.00 0.00 8 Y 7.38 4.77 0.00 2.90 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 9 S 7.77 4.28 0.00 3.91 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 10 K 8.42 4.12 0.00 1.93 1.95 0.00 1.60 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.47 7.81 11 T 8.34 3.72 3.95 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 1.08 0.00 0.00 12 Y 7.88 3.96 0.00 2.96 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 13 S 7.98 4.41 0.00 3.84 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 14 T 7.58 3.98 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 1.41 0.00 0.00 15 P 0.00 4.47 0.00 2.17 2.11 0.00 3.74 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 2.10 2.16 0.00 16 K 7.70 4.09 0.00 1.86 1.87 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.61 7.81 17 R 7.94 4.10 0.00 1.84 2.01 0.00 3.28 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 18 P 0.00 4.34 0.00 2.29 2.01 0.00 3.81 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 19 Y 6.93 5.05 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.78 4.16 0.00 1.87 1.17 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 2.31 2.27 0.00 21 S 8.48 4.28 0.00 3.81 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 *56 A 8.28 4.30 1.23 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 57 R 9.01 3.81 0.00 1.86 1.98 0.00 3.13 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 58 D 7.95 4.38 0.00 2.63 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 59 L 7.84 4.11 0.00 1.73 1.63 0.84 0.62 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 60 L 7.49 3.99 0.00 1.84 1.69 0.91 0.53 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 61 T 7.44 4.18 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 1.29 0.00 0.00 62 R 7.65 4.33 0.00 2.14 1.95 0.00 3.22 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.91 0.00 63 D 7.71 4.41 0.00 2.92 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 64 E 7.96 4.36 0.00 1.98 1.98 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 2.32 2.43 0.00 65 K 7.65 4.39 0.00 1.98 1.95 0.00 1.89 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.50 7.81 66 D 8.08 4.45 0.00 2.88 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 67 P 0.00 4.64 0.00 2.26 2.33 0.00 3.93 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 68 K 7.93 4.21 0.00 1.80 2.03 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.30 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.64 7.81 69 R 7.90 4.22 0.00 2.20 2.06 0.00 3.42 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 70 L 7.61 3.97 0.00 1.81 1.97 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.21 4.64 0.00 2.93 3.11 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 72 E 8.77 4.43 0.00 1.87 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 2.18 2.13 0.00 73 G 10.92 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 74 N 7.82 4.89 0.00 2.64 2.70 0.00 0.00 7.11 7.96 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 75 A 7.66 4.68 1.23 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 76 L 8.17 4.70 0.00 1.57 1.56 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.95 4.10 1.82 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 1.39 1.39 0.87 0.00 0.00 78 R 7.86 3.93 0.00 1.89 1.94 0.00 3.16 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 79 R 7.83 4.18 0.00 1.83 1.91 0.00 3.09 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 80 L 7.58 4.16 0.00 1.84 1.81 0.94 1.32 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 81 V 7.36 3.59 2.22 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 0.96 0.00 0.00 0.94 0.00 0.00 82 R 7.88 3.88 0.00 1.97 1.89 0.00 3.15 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 83 V 7.42 3.47 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 0.97 0.00 0.00 0.72 0.00 0.00 84 G 7.23 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 0.00 0.00 0.00 85 V 8.07 3.70 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 0.83 0.00 0.00 0.98 0.00 0.00 86 L 7.69 4.50 0.00 1.64 1.68 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 87 S 7.74 4.61 0.00 3.96 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 88 E 7.05 3.97 0.00 2.27 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 2.32 2.26 0.00 89 D 9.39 4.45 0.00 3.02 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 90 K 7.75 4.11 0.00 1.83 1.90 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.47 7.81 91 K 7.97 4.20 0.00 1.82 2.04 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.48 7.81 92 K 7.99 4.22 0.00 1.93 1.88 0.00 1.75 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 1.46 1.60 7.81 93 L 7.29 4.98 0.00 1.81 1.66 1.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.84 4.48 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.65 3.47 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.84 3.16 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 0.85 0.00 0.00 0.95 0.00 0.00 97 L 8.03 4.08 0.00 1.70 1.79 1.08 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.92 4.02 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 99 L 7.64 4.28 0.00 1.76 1.82 0.92 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.84 3.85 0.00 1.99 1.77 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.82 1.46 7.81 101 V 7.73 4.01 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 0.99 0.00 0.00 1.03 0.00 0.00 102 E 7.81 4.09 0.00 2.22 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 2.39 2.52 0.00 103 D 7.96 4.37 0.00 2.72 2.39 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 0.00 104 F 7.71 4.44 0.00 3.20 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 0.00 105 L 7.49 4.29 0.00 1.77 1.81 1.05 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.65 4.64 0.00 2.20 2.35 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 2.63 2.27 0.00 107 R 7.90 4.17 0.00 2.12 2.16 0.00 3.26 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 108 R 7.53 4.35 0.00 2.10 1.90 0.00 3.33 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.75 0.00 109 L 8.73 3.83 0.00 1.85 1.72 1.05 0.61 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 0.00 110 Q 8.16 4.10 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 111 T 7.90 4.15 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 1.15 0.00 0.00 112 Q 7.65 4.00 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.51 2.67 0.00 113 V 7.70 3.71 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 0.99 0.00 0.00 1.04 0.00 0.00 114 Y 7.61 3.86 0.00 3.06 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 0.00 115 K 7.61 4.25 0.00 1.92 1.85 0.00 1.60 0.00 0.00 1.37 0.00 0.00 2.38 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.41 1.41 7.81 116 L 7.02 4.09 0.00 1.61 1.81 0.93 1.12 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 0.00 117 G 8.02 3.66 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 0.00 0.00 0.00 118 L 7.00 4.29 0.00 1.58 1.55 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.57 4.37 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 0.00 120 K 8.97 3.94 0.00 1.71 1.84 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.44 7.81 121 S 7.74 5.03 0.00 3.90 3.75 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 0.00 122 V 8.50 3.70 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 0.95 0.00 0.00 0.79 0.00 0.00 123 H 7.93 4.79 0.00 3.17 3.32 0.00 5.88 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 H 8.07 4.73 0.00 3.22 3.50 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.71 4.34 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 0.00 126 R 7.71 3.98 0.00 1.85 1.97 0.00 3.11 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 127 V 7.38 3.79 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 1.02 0.00 0.00 0.97 0.00 0.00 128 L 7.66 4.20 0.00 1.69 1.62 0.62 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 129 I 7.13 3.96 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.38 1.02 0.00 0.00 130 T 7.17 3.79 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 1.26 0.00 0.00 131 Q 7.92 4.18 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.23 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 132 R 7.64 3.90 0.00 1.98 2.02 0.00 3.16 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 133 H 8.27 4.19 0.00 3.16 3.45 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 7.68 4.31 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 1.38 0.94 1.01 0.00 0.00 135 A 8.57 4.80 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 0.00 136 V 9.59 4.22 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 1.06 0.00 0.00 1.00 0.00 0.00 137 G 8.41 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.45 4.15 0.00 1.78 1.80 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.52 1.70 7.81 139 Q 8.29 4.48 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 140 I 8.20 4.17 1.82 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 1.40 0.66 0.96 0.00 0.00 141 V 7.84 3.27 0.97 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 0.56 0.00 0.00 0.73 0.00 0.00 142 N 6.99 4.47 0.00 2.72 2.82 0.00 0.00 6.85 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 0.00 143 I 6.86 4.45 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.08 0.98 0.00 0.00 144 P 0.00 4.51 0.00 2.17 2.13 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 145 S 7.92 4.51 0.00 3.95 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 0.00 146 F 7.69 4.15 0.00 3.04 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 0.00 147 M 8.24 4.41 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 148 V 8.37 4.35 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 1.11 0.00 0.00 149 R 8.34 4.51 0.00 1.79 1.73 0.00 3.34 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.76 0.00 150 L 8.90 4.10 0.00 1.75 1.70 1.04 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 151 D 8.22 4.55 0.00 2.71 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 0.00 152 S 7.77 4.43 0.00 3.88 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 0.00 153 E 8.46 4.34 0.00 1.98 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 2.29 2.29 0.00 154 K 8.44 4.70 0.00 1.65 1.78 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.50 7.81 155 H 8.38 4.75 0.00 3.23 3.16 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 0.00 156 I 7.49 4.65 1.59 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 1.12 0.56 0.53 0.00 0.00 157 D 8.09 4.66 0.00 2.66 2.57 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 0.00 158 F 8.87 4.11 0.00 3.02 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 A 8.15 4.09 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 0.00 160 P 0.00 4.83 0.00 2.22 2.15 0.00 3.86 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 1.83 1.95 0.00 161 T 7.45 3.75 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 1.10 0.00 0.00 162 S 8.62 3.62 0.00 4.08 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 0.00 163 P 0.00 4.39 0.00 2.19 2.08 0.00 3.81 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.