NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 E 4.2584 8.3027 120.2153 56.3306 31.6974 177.3139 16 R 3.6481 7.7639 118.0592 58.1051 29.9479 173.2473 17 E 4.7432 8.3345 117.3865 55.6749 31.3445 174.4389 18 G 4.2053 8.4221 106.4996 43.1392 0.0000 175.4951 19 I 3.5278 8.3852 124.0807 63.9522 38.0822 176.7366 20 L 3.9775 7.6939 120.0082 58.3884 42.0715 177.9317 21 F 4.2973 8.4421 119.1138 61.9693 39.2612 177.2339 22 T 3.8604 8.1801 113.9916 67.2739 67.9338 176.0338 23 T 4.1505 8.2473 115.5329 64.6500 68.4240 176.5814 24 L 3.9865 8.2684 122.7856 57.2980 42.0722 178.6839 25 E 3.8886 7.7345 116.3956 58.6622 29.2504 178.4583 26 K 4.1735 7.9718 119.3738 58.1856 32.3099 179.0667 27 L 3.9469 7.2193 120.1630 57.6910 41.6257 179.0835 28 V 3.5934 8.4114 118.4051 66.1319 31.3750 177.8186 29 A 4.0155 7.7877 120.0669 55.1622 18.1141 179.4168 30 W 4.1319 7.9630 125.0586 60.8163 30.8967 177.7263 31 G 3.8567 8.5707 106.7067 47.4820 0.0000 174.7058 32 R 4.7637 8.1458 118.7149 55.3778 29.8791 177.4806 33 S 3.9737 7.8445 114.8654 60.2895 62.4941 174.1956 34 N 4.8239 7.9054 114.9691 53.0610 40.3391 174.8276 35 S 4.6911 7.6162 112.6940 57.7701 63.5860 173.5858 36 L 4.8150 7.7747 120.6935 55.0539 41.3599 176.9255 37 W 5.2993 10.1747 135.0000 54.4361 31.3555 171.8223 38 P 4.5874 0.0000 0.0000 62.5348 31.9011 176.0347 39 A 4.4043 8.6143 125.6558 49.4084 19.7565 174.9752 40 T 4.1232 8.2006 114.7057 62.5400 68.3831 173.4976 41 F 4.8839 8.7971 127.5749 56.3156 38.9068 173.8857 42 G 3.5452 7.9899 107.6128 48.0721 0.0000 169.5609 43 L 4.3658 9.0633 120.3768 54.4236 43.6727 178.5916 44 A 4.6773 8.8312 134.9046 52.9797 20.3829 180.0179 45 C 3.4804 8.4982 106.6127 62.1343 30.4584 176.5155 46 C 4.1088 8.3132 117.8252 62.4918 27.1334 175.5039 47 A 3.9761 8.9047 123.5770 55.4258 17.6057 179.5817 48 I 3.5998 7.5168 117.2012 63.5462 37.1748 177.6055 49 E 4.1892 7.7513 118.8946 57.7892 30.0301 176.8821 50 M 4.2460 7.5683 117.8259 58.1403 32.6273 176.6558 51 M 4.5987 7.4447 115.9440 55.7099 31.7977 176.6338 52 A 4.6921 7.9168 120.4627 51.3934 21.1181 177.6919 53 S 4.6209 8.0714 109.8580 59.3608 64.5181 176.8739 54 T 4.0407 7.8513 116.9594 66.2200 68.3606 175.0794 55 D 4.5290 7.9978 118.5631 55.3017 41.3776 176.9055 56 A 4.4061 7.4155 120.5759 53.0965 20.9364 178.5297 57 R 3.9703 8.3250 109.8895 56.8682 28.3482 178.2087 *74 Q 4.1487 9.1017 109.6003 55.3090 30.5883 174.3422 75 A 5.0945 8.5730 124.6392 50.3000 22.3396 174.5484 76 D 4.9521 8.4440 121.0459 52.8010 42.3122 174.8714 77 V 4.3826 8.7119 118.3166 64.8123 28.6547 169.1611 78 M 5.0377 7.7227 119.3931 54.4097 33.3680 176.4280 79 I 4.7047 8.3821 124.1674 59.8177 39.4085 174.8305 80 V 4.4267 9.0953 128.9399 62.2086 32.5549 174.5809 81 A 4.8631 9.7565 131.0751 48.2006 19.2653 174.8976 82 G 4.5963 8.5988 107.6001 42.2650 0.0000 170.5375 83 R 3.8889 8.0933 117.2968 56.5383 29.9694 176.4116 84 L 4.3467 8.5706 127.3992 53.7786 42.8251 175.9417 85 S 4.6271 8.5327 121.5808 58.0818 63.3230 175.1636 86 K 4.0247 8.2894 123.1606 59.0979 31.7832 179.5604 87 K 4.0932 7.6835 119.1078 59.6539 32.4371 178.4030 88 M 4.1987 8.0359 117.2865 57.6848 32.1819 177.8442 89 A 3.9737 7.6209 121.8587 54.8467 18.5300 177.7097 90 P 4.2360 0.0000 0.0000 66.1862 31.0538 178.2962 91 V 3.6476 7.8095 117.6795 66.0820 31.6924 177.3105 92 M 3.8048 8.1863 117.6916 58.4071 31.8919 178.2589 93 R 3.8238 7.8529 118.9967 59.6359 30.2675 178.5743 94 R 4.1942 7.7718 119.1031 58.7497 29.8967 179.0303 95 V 3.5861 7.5969 116.9622 65.8859 31.4332 177.7348 96 W 4.1086 7.8389 126.2587 60.3988 30.4761 177.3739 97 E 3.8975 8.5809 118.6064 59.3032 29.7120 178.9749 98 Q 4.2225 7.9247 116.5479 56.0326 27.8946 174.4842 99 M 4.7101 7.0299 116.1161 52.3367 36.1410 172.9093 100 P 4.4150 0.0000 0.0000 62.8953 32.0496 174.1970 101 D 4.3003 8.3484 114.9460 55.7150 42.1808 175.3501 102 P 3.8979 0.0000 0.0000 62.6627 30.3909 175.4192 103 K 4.4761 6.8197 120.8630 54.8447 35.8360 175.5658 104 W 6.0099 8.6812 119.4076 54.2591 34.1465 173.9172 105 V 4.8844 8.8027 121.7122 61.3331 33.9387 174.0759 106 I 4.9720 8.6863 128.6905 59.6385 39.8087 174.5031 107 S 5.0862 8.6157 121.2432 56.8647 65.2747 172.5453 108 M 4.5954 9.1718 125.4850 54.6253 33.1892 176.7317 109 G 4.4463 9.0627 115.9518 43.8505 0.0000 173.5047 110 A 4.0037 8.6443 120.5475 55.6042 18.2150 180.0052 111 C 4.2477 8.1927 111.1239 62.7409 28.8033 175.3717 112 A 4.1802 8.1266 122.2553 55.1508 17.8200 178.8031 113 S 4.3628 7.6296 111.6766 61.1482 63.7443 177.0926 114 S 5.2538 7.6942 115.1453 56.0683 65.4328 174.8842 115 G 4.3652 8.1628 107.9016 45.6570 0.0000 175.6291 116 G 3.8763 7.6797 108.4627 45.3424 0.0000 174.4403 117 M 4.0709 8.3423 116.6172 56.4345 31.3439 176.9026 118 F 4.6615 7.3057 119.6643 56.0195 37.9872 173.5937 119 N 4.7419 7.8569 122.4028 51.2568 38.1176 173.0551 120 N 4.6064 7.7728 121.1167 51.9896 39.7662 175.2746 121 Y 4.2090 9.2713 115.5696 59.4090 38.0133 176.7306 122 A 4.2652 7.0685 121.3827 51.6807 19.9309 176.1443 123 I 4.6784 6.9880 115.1184 58.6927 40.4117 175.6907 124 V 3.6921 8.0571 124.7452 63.3433 31.5014 175.7150 125 Q 4.3857 8.6416 124.5047 55.0032 29.0665 174.5603 126 N 5.3253 7.6105 121.6633 53.0230 41.3677 175.1766 127 V 3.5228 7.9555 127.2403 65.5087 31.6900 176.9552 128 D 5.3108 8.6463 117.5530 55.7064 41.0795 177.1484 129 S 4.2952 8.5638 114.8311 61.2822 63.0461 175.3973 130 V 4.1988 7.4598 111.1642 61.5944 34.0485 176.3703 131 V 3.5546 7.8355 112.2378 58.1777 35.1294 172.4194 132 P 4.4406 0.0000 0.0000 62.8864 30.9545 176.0184 133 V 3.7742 8.4235 124.4857 62.3126 32.2300 175.5182 134 D 4.6547 8.9534 127.6726 56.4601 42.1802 176.7038 135 V 4.7960 7.5745 116.6807 61.1060 35.3380 173.5565 136 Y 5.1992 8.7886 123.4650 56.0856 40.7283 175.4697 137 V 4.5019 8.6845 124.1610 58.9281 33.3050 173.4049 138 P 4.6163 0.0000 0.0000 62.5917 31.9822 175.2627 139 G 4.3382 7.7883 109.0335 44.7296 0.0000 172.1468 140 C 5.0492 7.7310 121.2883 57.3750 32.1022 171.2839 141 P 4.7612 0.0000 0.0000 59.8464 33.2606 174.4878 142 P 4.4170 0.0000 0.0000 61.8929 32.0879 176.1353 143 R 3.9851 8.5619 121.1175 56.1755 30.8010 175.3210 144 P 4.2888 0.0000 0.0000 65.7191 31.0315 178.5745 145 E 4.1724 8.1987 115.3550 58.0062 29.4164 178.3440 146 A 4.0478 7.6815 121.2815 54.1181 18.8962 179.1192 147 L 4.0667 7.7871 118.8096 57.7750 42.1364 179.3492 148 I 3.7221 7.7251 119.7804 64.6730 37.0827 177.4475 149 Y 4.0194 7.7025 119.6842 60.5192 38.4451 178.0689 150 A 4.0439 8.0471 121.9732 55.0642 18.5365 179.6725 151 V 3.7665 7.5184 109.6190 63.6778 31.8861 178.5733 152 M 3.9715 7.8080 118.4177 57.9065 31.7371 178.1460 153 Q 3.7291 7.4532 120.5637 58.8013 29.2411 177.6262 154 L 3.9080 7.7329 120.9039 57.6653 41.8936 178.7726 155 Q 3.6711 7.8068 119.9578 58.9371 29.1591 177.3051 156 K 3.9859 7.9588 119.1059 57.7822 32.1248 177.9512 157 K 4.0450 7.5336 118.8269 59.0511 32.4250 178.3506 158 V 3.7799 7.0860 111.2427 63.4186 31.6539 177.4250 159 R 4.0072 7.5021 117.8031 56.6895 30.0081 176.6138 160 G 3.8029 8.0094 106.0907 47.1593 0.0000 173.8643 161 Q 4.4110 7.9641 117.3545 54.9574 29.7952 174.4744 162 A 4.6664 7.4305 117.9164 49.8398 21.8608 175.6108 163 Y 5.7458 8.6317 118.2569 54.9885 41.7746 175.7317 164 N 4.8176 8.4546 119.2879 52.2347 39.2226 175.1826 165 E 4.2012 8.6008 116.1236 58.5074 29.7791 178.3458 166 R 4.0549 7.8866 117.3839 57.2519 30.3550 177.2152 167 G 4.0006 7.7163 103.7593 45.2514 0.0000 174.0335 168 E 4.2966 8.4077 120.4432 55.8174 30.3397 175.8507 169 R 4.3115 8.7225 123.6395 56.3970 30.9631 175.2772 170 L 4.8437 8.5294 126.7476 52.0519 43.5801 174.6505 171 P 4.2493 0.0000 0.0000 62.7048 31.0848 174.2239 172 P 4.6550 0.0000 0.0000 64.9655 31.5418 176.6219 173 V 4.3346 7.6506 115.0819 60.9611 33.7636 175.8612 174 A 4.3970 8.0629 130.6398 50.1675 17.0385 177.4839 175 A 4.1981 7.4993 125.2359 51.9453 19.1129 176.7143 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 15 E 8.30 4.26 0.00 1.83 1.77 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 2.22 2.23 0.00 16 R 7.76 3.65 0.00 1.76 2.03 0.00 3.47 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.75 0.00 17 E 8.33 4.74 0.00 1.97 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 0.00 2.24 2.38 0.00 18 G 8.42 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 0.00 0.00 0.00 0.00 19 I 8.39 3.53 1.89 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 1.31 1.60 0.92 0.00 0.00 20 L 7.69 3.98 0.00 1.69 1.70 0.95 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 21 F 8.44 4.30 0.00 3.08 3.16 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 22 T 8.18 3.86 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 1.19 0.00 0.00 23 T 8.25 4.15 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 1.18 0.00 0.00 24 L 8.27 3.99 0.00 1.83 1.63 0.99 0.93 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 25 E 7.73 3.89 0.00 2.00 1.76 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 2.18 2.24 0.00 26 K 7.97 4.17 0.00 1.81 1.90 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.65 7.81 27 L 7.22 3.95 0.00 2.16 1.69 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.41 3.59 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 1.12 0.00 0.00 0.96 0.00 0.00 29 A 7.79 4.02 1.51 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 0.00 0.00 0.00 30 W 7.96 4.13 0.00 3.46 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 31 G 8.57 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 32 R 8.15 4.76 0.00 2.07 2.11 0.00 3.31 0.00 0.00 3.11 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 33 S 7.84 3.97 0.00 3.61 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 34 N 7.91 4.82 0.00 2.63 2.70 0.00 0.00 6.90 7.70 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 35 S 7.62 4.69 0.00 3.96 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 36 L 7.77 4.82 0.00 1.60 1.61 0.68 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 37 W 10.17 5.30 0.00 3.20 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.59 0.00 1.79 1.91 0.00 3.55 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 39 A 8.61 4.40 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.20 4.12 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 1.14 0.00 0.00 41 F 8.80 4.88 0.00 3.11 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.99 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 9.06 4.37 0.00 1.49 1.33 1.07 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.83 4.68 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.50 3.48 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 46 C 8.31 4.11 0.00 3.07 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 47 A 8.90 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 48 I 7.52 3.60 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.12 0.90 0.00 0.00 49 E 7.75 4.19 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 50 M 7.57 4.25 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 51 M 7.44 4.60 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.46 0.00 52 A 7.92 4.69 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 53 S 8.07 4.62 0.00 4.01 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 54 T 7.85 4.04 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 1.17 0.00 0.00 55 D 8.00 4.53 0.00 2.64 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.42 4.41 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 57 R 8.32 3.97 0.00 1.93 1.72 0.00 3.19 0.00 0.00 3.29 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 *74 Q 9.10 4.15 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 75 A 8.57 5.09 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.44 4.95 0.00 3.38 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 77 V 8.71 4.38 2.17 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 1.01 0.00 0.00 1.11 0.00 0.00 78 M 7.72 5.04 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.58 0.00 79 I 8.38 4.70 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.96 0.94 0.00 0.00 80 V 9.10 4.43 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 1.03 0.00 0.00 0.90 0.00 0.00 81 A 9.76 4.86 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 82 G 8.60 4.60 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 0.00 0.00 0.00 83 R 8.09 3.89 0.00 1.72 1.95 0.00 3.01 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.38 0.00 84 L 8.57 4.35 0.00 1.77 1.63 0.93 0.83 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 85 S 8.53 4.63 0.00 3.88 3.68 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 86 K 8.29 4.02 0.00 1.73 1.85 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.44 7.81 87 K 7.68 4.09 0.00 1.75 1.82 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 88 M 8.04 4.20 0.00 2.38 2.05 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.70 0.00 89 A 7.62 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.24 0.00 2.29 2.34 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.04 0.00 91 V 7.81 3.65 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.98 0.00 0.00 92 M 8.19 3.80 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 2.20 0.00 93 R 7.85 3.82 0.00 2.08 2.13 0.00 3.24 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 94 R 7.77 4.19 0.00 2.03 2.00 0.00 3.24 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 95 V 7.60 3.59 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 0.76 0.00 0.00 1.10 0.00 0.00 96 W 7.84 4.11 0.00 3.29 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.58 3.90 0.00 2.26 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 2.66 2.98 0.00 98 Q 7.92 4.22 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 99 M 7.03 4.71 0.00 1.56 1.82 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 100 P 0.00 4.42 0.00 2.15 2.06 0.00 3.75 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 101 D 8.35 4.30 0.00 2.51 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 0.00 102 P 0.00 3.90 0.00 2.04 1.94 0.00 3.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 103 K 6.82 4.48 0.00 1.49 1.41 0.00 0.88 0.00 0.00 1.51 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 1.14 7.81 104 W 8.68 6.01 0.00 3.28 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 0.00 105 V 8.80 4.88 2.25 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 0.98 0.00 0.00 1.17 0.00 0.00 106 I 8.69 4.97 1.88 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 1.29 0.49 0.92 0.00 0.00 107 S 8.62 5.09 0.00 3.91 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 0.00 108 M 9.17 4.60 0.00 2.17 2.05 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 2.56 2.54 0.00 109 G 9.06 4.45 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 0.00 110 A 8.64 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.19 4.25 0.00 3.09 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 0.00 112 A 8.13 4.18 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 0.00 113 S 7.63 4.36 0.00 3.99 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 0.00 114 S 7.69 5.25 0.00 4.01 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 0.00 115 G 8.16 4.37 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 0.00 116 G 7.68 3.88 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 0.00 0.00 0.00 117 M 8.34 4.07 0.00 1.78 1.88 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.81 0.00 118 F 7.31 4.66 0.00 3.22 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 0.00 119 N 7.86 4.74 0.00 2.66 2.75 0.00 0.00 7.12 7.79 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 0.00 120 N 7.77 4.61 0.00 3.11 3.01 0.00 0.00 5.88 7.57 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 0.00 121 Y 9.27 4.21 0.00 3.17 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 0.00 122 A 7.07 4.27 0.63 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 0.00 0.00 123 I 6.99 4.68 1.85 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.54 0.98 0.00 0.00 124 V 8.06 3.69 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 0.81 0.00 0.00 0.92 0.00 0.00 125 Q 8.64 4.39 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 126 N 7.61 5.33 0.00 2.79 2.74 0.00 0.00 7.30 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 0.00 127 V 7.96 3.52 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 0.86 0.00 0.00 0.97 0.00 0.00 128 D 8.65 5.31 0.00 2.74 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 0.00 129 S 8.56 4.30 0.00 3.90 3.88 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 0.00 130 V 7.46 4.20 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 0.68 0.00 0.00 0.89 0.00 0.00 131 V 7.84 3.55 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.65 0.00 0.00 132 P 0.00 4.44 0.00 2.10 2.07 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 133 V 8.42 3.77 1.51 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 -0.03 0.00 0.00 0.81 0.00 0.00 134 D 8.95 4.65 0.00 2.96 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.57 4.80 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 1.11 0.00 0.00 0.91 0.00 0.00 136 Y 8.79 5.20 0.00 2.83 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 0.00 137 V 8.68 4.50 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 0.94 0.00 0.00 1.00 0.00 0.00 138 P 0.00 4.62 0.00 2.10 2.11 0.00 3.88 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 2.01 2.01 0.00 139 G 7.79 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 0.00 0.00 0.00 0.00 140 C 7.73 5.05 0.00 2.90 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 0.00 141 P 0.00 4.76 0.00 2.23 2.06 0.00 3.82 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 1.94 1.95 0.00 142 P 0.00 4.42 0.00 2.22 2.31 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 143 R 8.56 3.99 0.00 1.85 1.88 0.00 3.17 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.69 0.00 144 P 0.00 4.29 0.00 2.20 2.08 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 145 E 8.20 4.17 0.00 2.06 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 2.40 2.44 0.00 146 A 7.68 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.79 4.07 0.00 1.66 1.86 0.92 1.04 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 0.00 148 I 7.73 3.72 2.10 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 1.54 0.76 0.95 0.00 0.00 149 Y 7.70 4.02 0.00 2.98 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 0.00 150 A 8.05 4.04 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 0.00 151 V 7.52 3.77 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 0.90 0.00 0.00 0.89 0.00 0.00 152 M 7.81 3.97 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.45 0.00 153 Q 7.45 3.73 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 154 L 7.73 3.91 0.00 1.69 1.52 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 155 Q 7.81 3.67 0.00 2.17 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 156 K 7.96 3.99 0.00 1.70 1.84 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.52 7.81 157 K 7.53 4.05 0.00 1.93 1.79 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.43 7.81 158 V 7.09 3.78 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 -0.51 0.00 0.00 0.57 0.00 0.00 159 R 7.50 4.01 0.00 1.81 1.99 0.00 3.04 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.49 0.00 160 G 8.01 3.80 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 0.00 0.00 0.00 161 Q 7.96 4.41 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 162 A 7.43 4.67 1.14 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 0.00 0.00 163 Y 8.63 5.75 0.00 2.84 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 0.00 164 N 8.45 4.82 0.00 3.00 3.06 0.00 0.00 6.06 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 0.00 165 E 8.60 4.20 0.00 2.01 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 0.00 2.34 2.29 0.00 166 R 7.89 4.05 0.00 1.99 2.00 0.00 3.16 0.00 0.00 3.50 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 167 G 7.72 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 0.00 0.00 0.00 168 E 8.41 4.30 0.00 2.13 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 2.44 2.46 0.00 169 R 8.72 4.31 0.00 2.00 1.90 0.00 3.21 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.30 0.00 170 L 8.53 4.84 0.00 1.59 1.58 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 171 P 0.00 4.25 0.00 2.11 2.11 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 172 P 0.00 4.65 0.00 2.25 2.33 0.00 3.68 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 2.09 2.13 0.00 173 V 7.65 4.33 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 0.56 0.00 0.00 0.19 0.00 0.00 174 A 8.06 4.40 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 0.00 175 A 7.50 4.20 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.