NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 K 4.3621 8.3149 120.0023 56.3273 34.9302 175.8430 22 L 4.6398 7.5359 117.9848 52.0118 42.0485 175.0931 23 I 3.9643 8.5581 123.1138 63.2985 37.1905 176.2829 24 E 3.8051 8.3763 118.8871 60.2683 29.0443 179.0871 25 S 4.6227 8.1039 114.9349 61.8714 63.1280 176.0455 26 L 3.9845 7.7722 121.9432 57.2334 41.9841 176.8347 27 Q 3.9139 8.5995 121.0348 58.1640 29.4724 176.7171 28 E 4.2341 6.6612 118.8086 55.4123 28.8781 177.6445 29 N 4.6481 7.7800 117.5762 53.1521 39.8922 173.6297 30 E 4.6686 8.3301 123.7547 54.2874 32.8872 175.1205 31 L 4.1467 8.1658 119.7336 54.6818 42.5454 176.9090 32 L 4.6046 7.8358 122.8769 53.6012 42.4307 176.8982 33 N 4.5743 9.2627 122.0479 52.6244 38.7761 176.4488 34 T 3.8636 8.5573 116.8687 67.2187 68.5103 176.1781 35 D 4.3635 8.1076 120.0664 57.4276 40.8489 178.5435 36 E 3.9603 9.0018 119.5518 58.9781 29.3555 179.4051 37 K 3.8818 8.1255 119.8112 59.5134 32.3083 178.8067 38 K 3.9079 7.9110 119.5234 59.2910 31.8988 178.3611 39 K 3.8419 8.2403 120.0906 59.5844 32.0024 178.8026 40 I 3.7208 7.4486 119.6683 64.5169 37.1066 178.3103 41 I 3.6493 7.6758 120.5610 64.7422 36.8780 178.3105 42 D 4.3462 8.4430 119.8444 57.2840 40.3454 178.8751 43 Q 3.8972 7.5593 118.1315 59.0191 28.7793 178.5515 44 I 3.6219 7.4388 119.8546 63.9853 37.3748 178.1345 45 K 4.0325 7.8516 120.6851 59.4750 32.0828 179.3315 46 T 3.6786 7.8164 112.8432 64.5855 67.9627 175.4688 *48 H 4.6071 7.9993 122.2875 56.3654 31.6930 175.1772 49 D 4.3572 7.9126 119.0784 56.9710 40.2972 178.4788 50 F 4.0963 7.6852 120.0063 61.3169 39.5197 176.7229 51 F 4.6508 7.8264 115.3670 60.7363 38.8451 177.0145 52 K 4.1156 7.9128 120.3174 58.6965 32.1740 179.6059 53 Q 4.3786 8.1234 120.5672 55.3269 27.8133 176.7928 *55 H 4.9213 8.0068 110.8874 55.7735 30.1598 174.0834 56 T 4.5174 7.4237 116.7764 64.3605 70.5974 174.0877 57 N 4.9594 7.8240 118.4891 50.6557 42.2717 175.0279 58 K 4.1699 8.6787 124.9222 58.8541 32.3436 179.6170 59 G 3.4636 8.1544 105.7755 47.5534 0.0000 175.0922 60 A 3.9036 8.8977 124.6423 54.9013 18.2262 179.4912 61 L 3.7387 7.3884 117.2879 57.6883 42.0196 178.4533 62 D 4.3079 8.3836 118.5658 57.3108 41.2990 177.4928 63 K 3.6432 8.1466 119.7920 60.8885 32.0662 178.3247 64 V 2.8796 7.7277 114.7438 65.5352 31.3349 177.7206 65 L 3.8899 7.5442 121.2596 58.3927 42.1014 179.8780 66 R 3.9219 7.4925 115.9015 58.8334 29.9610 178.0900 67 N 4.8116 8.1048 114.2992 53.9855 39.6048 175.7109 68 Y 4.6913 8.6492 118.8913 57.8122 39.3183 177.1449 *70 K 4.1958 8.0587 121.3241 56.1435 34.0560 175.2228 71 D 4.7799 7.6562 116.9526 54.2719 40.8638 174.5554 72 Y 4.3754 7.7888 125.7310 60.5263 40.2519 178.4558 73 R 3.5525 8.0713 116.4439 59.0893 29.4616 178.4570 74 A 3.9751 8.6027 121.6935 54.6201 18.3079 179.8318 75 V 3.5846 7.4594 116.5611 66.1853 32.0121 178.3763 76 I 4.0110 7.3005 111.6475 63.3215 37.0713 178.3330 77 K 3.9690 7.3534 119.7613 59.2703 32.3797 179.0320 78 S 4.2877 8.5197 114.3605 60.6837 62.8150 174.8318 79 I 4.0987 8.1679 119.8628 62.6178 38.8080 176.5887 80 G 4.2385 7.5643 105.8987 46.1109 0.0000 174.9637 81 V 3.9213 8.3772 114.4547 64.0083 31.2188 178.6018 82 D 4.3690 8.1898 118.9313 56.3757 38.8570 178.3960 83 K 3.8049 7.9126 120.9469 58.8204 32.3075 178.9079 84 F 4.1204 8.0684 117.7670 60.4692 39.0608 177.2784 85 K 4.1334 8.6018 119.4946 59.3303 31.9808 178.6409 86 K 3.8590 7.5477 119.6443 59.6368 32.2113 179.1175 87 V 3.3845 7.2393 112.3025 64.6657 31.3233 178.3021 88 Y 4.1390 7.5794 115.9719 60.8667 37.7174 178.9756 89 R 3.7598 7.7432 118.8587 59.1200 30.1892 178.7860 90 L 4.0747 7.7937 119.6366 57.7623 41.9859 178.9998 91 L 4.0783 8.2282 119.7206 57.5246 41.0176 178.8513 92 E 4.1540 8.5294 119.4509 59.3909 29.3675 179.0507 93 S 4.2388 7.8305 113.6728 61.8332 63.2744 176.2878 94 E 4.4637 8.4210 121.5143 59.3707 28.9451 180.2659 95 T 3.6451 8.1804 109.3804 61.6695 68.6876 176.0128 *97 E 4.3418 8.1727 123.5330 57.2352 31.7205 177.2085 98 L 3.6158 7.9486 119.9054 58.0206 42.0019 178.4981 99 L 3.8212 7.6665 120.1626 58.7069 41.8139 178.7969 100 H 4.2141 8.0088 115.2383 58.4547 28.6411 177.3671 101 A 3.8785 8.0547 122.9378 55.2329 17.9380 179.6147 102 I 3.6142 7.7007 117.0587 64.6316 37.2760 178.2152 103 A 4.1661 7.6264 120.0091 54.5515 18.4291 178.8885 104 E 4.2778 8.7783 118.4272 57.7523 30.7940 176.4435 105 N 4.9271 8.3059 116.3185 49.8079 39.6593 172.5187 106 P 4.0750 0.0000 0.0000 65.7750 31.7299 177.3571 107 N 4.6090 8.0385 112.1622 54.0894 38.7054 174.9318 108 F 3.5631 8.4506 122.4932 58.8206 40.3629 174.0389 109 L 3.4893 7.6200 125.7168 55.3695 37.8988 173.6534 110 F 4.5135 7.9720 124.0478 59.5645 40.3225 175.1955 111 S 5.1063 8.1241 113.9756 56.0320 65.2778 174.3348 112 K 4.3311 8.4732 117.9348 57.3542 31.9315 178.7211 113 F 4.5877 8.3618 121.9737 60.6489 39.3544 176.8049 114 D 4.5043 8.0847 117.5729 56.2369 40.4767 178.0489 115 R 4.1035 7.9319 118.5576 57.8160 29.6192 177.8398 116 S 4.2698 7.8545 114.4028 60.1261 63.1121 176.1422 117 I 4.0152 8.0432 124.6007 64.2434 36.8393 178.0118 118 L 4.4617 7.9559 120.5143 57.6434 41.2183 179.3846 119 G 3.8429 7.6621 103.5022 47.3187 0.0000 175.2081 120 I 3.9714 7.4002 121.1161 63.5152 37.3882 177.2828 121 F 5.0491 8.1827 117.6722 58.7534 39.6354 177.8452 122 L 4.3112 8.3614 118.6224 57.7731 41.2265 177.5088 123 P 4.3043 0.0000 0.0000 64.2379 31.2544 176.8779 124 F 5.1415 8.0733 114.3826 57.1100 39.9170 175.2263 125 F 4.9346 8.3894 122.0550 59.5553 41.3479 175.4991 126 S 3.9806 8.5143 115.5684 57.5512 62.6145 173.6349 127 K 3.5070 8.2220 129.2776 58.8386 32.5023 176.0734 128 P 4.3707 0.0000 0.0000 65.7444 31.3655 178.6519 129 I 3.6712 7.6513 113.7693 62.5266 36.4431 176.4545 *131 F 5.3554 7.9643 123.7786 58.3754 40.7524 176.7223 132 K 4.0720 7.8213 121.9473 56.0004 31.1082 175.9209 *134 S 4.2536 7.7873 111.4135 57.6844 64.2287 173.7364 135 I 3.8534 8.2579 120.2018 64.7874 37.2852 177.9014 136 R 4.0595 8.2611 118.6575 59.7407 30.1544 179.0826 137 E 3.8552 7.9255 114.2115 57.8419 30.1700 178.4296 *139 D 4.4491 8.2443 120.1472 54.3082 42.9902 177.8397 140 S 4.2235 8.0893 114.0888 61.1189 62.8659 176.2145 141 Q 4.0647 8.2015 123.4253 59.1596 28.7600 178.1131 142 I 3.7271 7.8262 120.3611 64.3289 37.2490 177.7591 143 E 3.8758 8.2179 119.9642 59.1984 29.4191 178.2967 144 L 3.9064 8.4226 120.5578 58.6162 42.0282 178.3359 145 Y 3.9215 8.5659 116.7301 61.2780 37.6852 179.2418 146 G 3.7035 8.3115 105.4594 47.6361 0.0000 175.1960 147 T 4.2158 7.4876 110.7313 64.0396 69.2373 177.1993 148 K 4.0232 8.2268 121.5737 59.0071 31.0014 178.9344 149 L 3.9588 7.4961 119.2244 57.4260 41.4424 177.8359 150 P 4.4566 0.0000 0.0000 65.2694 31.4909 176.6704 151 L 4.7508 7.1761 117.0219 52.0002 41.0330 174.8427 152 L 4.4775 7.7527 117.7161 54.3118 48.5771 175.1208 153 K 3.7240 7.2109 114.6955 57.4307 29.5868 174.0698 154 L 4.0055 7.3355 121.1930 54.1123 42.9630 177.0925 155 F 4.0138 7.9031 115.1694 58.4145 36.7956 175.7752 156 V 4.1088 7.2540 119.2552 61.5439 32.7817 175.0462 *158 T 4.2289 7.9391 113.0301 61.1956 69.7341 173.6710 159 D 4.5331 8.8018 121.6944 57.6466 41.3419 177.9053 160 E 4.1360 8.4822 119.3089 59.5631 29.8524 179.1044 161 E 4.1668 8.2573 114.9630 57.4158 29.2881 178.5511 *163 N 4.6171 8.2808 117.5754 53.5428 40.5453 176.0656 164 F 3.8867 8.0822 119.3204 62.1328 39.2589 176.7774 165 Y 3.7260 8.3429 115.5083 60.9904 37.4820 178.8013 166 A 4.0807 7.6638 120.5314 55.0617 18.5359 178.9143 167 N 4.3618 7.7945 113.6158 54.0177 39.1550 175.8471 168 L 3.3764 5.9510 117.5836 54.9056 42.1337 176.7716 169 K 4.4678 8.5990 120.4614 57.0069 34.9231 176.9349 170 T 4.9339 7.5378 107.2811 58.9813 73.2704 174.7113 171 I 4.0792 8.3367 115.3610 63.7395 37.6774 178.1360 172 E 3.9618 8.2187 120.6948 59.4514 29.4675 178.4757 173 Q 4.0367 7.8362 118.1032 59.4954 29.0943 177.6430 174 Y 4.3353 8.0016 120.0647 61.2713 38.8446 178.0678 175 N 4.2032 8.8619 117.4269 56.3350 38.4808 177.0074 176 D 4.3667 8.1072 119.7505 56.9313 40.8775 178.0098 177 Y 3.9875 8.3478 120.0463 60.5594 38.9635 178.1773 178 V 3.6203 7.8870 119.9792 64.0918 31.6915 178.2216 179 R 3.3843 7.5427 118.6139 59.1039 29.9489 177.2846 180 D 4.3053 8.1658 115.4411 54.3615 41.2622 175.8699 181 L 3.9088 8.2739 124.8070 55.9515 42.4691 174.1054 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 21 K 8.31 4.36 0.00 1.90 2.03 0.00 1.50 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.51 7.81 22 L 7.54 4.64 0.00 1.78 1.68 0.96 0.58 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 23 I 8.56 3.96 1.86 0.00 0.00 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 1.61 0.52 0.85 0.00 0.00 24 E 8.38 3.81 0.00 2.02 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 2.45 2.39 0.00 25 S 8.10 4.62 0.00 4.21 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 26 L 7.77 3.98 0.00 1.35 1.70 0.44 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.60 3.91 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.33 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 28 E 6.66 4.23 0.00 2.23 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 2.32 2.31 0.00 29 N 7.78 4.65 0.00 3.00 3.00 0.00 0.00 7.20 7.65 0.00 0.00 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 E 8.33 4.67 0.00 2.04 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 2.28 2.31 0.00 31 L 8.17 4.15 0.00 1.41 1.39 0.82 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.84 4.60 0.00 1.48 1.57 1.01 0.79 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 33 N 9.26 4.57 0.00 2.94 2.91 0.00 0.00 6.51 6.77 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 34 T 8.56 3.86 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 1.21 0.00 0.00 35 D 8.11 4.36 0.00 2.81 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 36 E 9.00 3.96 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 37 K 8.13 3.88 0.00 1.82 2.01 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.45 7.81 38 K 7.91 3.91 0.00 1.93 1.92 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.61 7.81 39 K 8.24 3.84 0.00 1.99 2.04 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 40 I 7.45 3.72 2.04 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 1.80 0.68 0.92 0.00 0.00 41 I 7.68 3.65 1.96 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 1.50 0.74 0.86 0.00 0.00 42 D 8.44 4.35 0.00 2.63 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 43 Q 7.56 3.90 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 44 I 7.44 3.62 1.87 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 1.30 0.59 0.66 0.00 0.00 45 K 7.85 4.03 0.00 1.84 1.88 0.00 1.41 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.37 1.57 7.81 46 T 7.82 3.68 4.12 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 0.00 0.00 0.00 1.22 0.00 0.00 *48 H 8.00 4.61 0.00 3.10 3.39 0.00 5.71 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 49 D 7.91 4.36 0.00 2.74 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 50 F 7.69 4.10 0.00 3.14 2.86 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 51 F 7.83 4.65 0.00 3.23 3.37 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 52 K 7.91 4.12 0.00 1.82 1.88 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.23 7.81 53 Q 8.12 4.38 0.00 2.16 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.47 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 *55 H 8.01 4.92 0.00 3.26 3.50 0.00 5.66 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.42 4.52 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 1.17 0.00 0.00 57 N 7.82 4.96 0.00 2.57 2.50 0.00 0.00 6.70 7.92 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 58 K 8.68 4.17 0.00 1.89 1.76 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.55 7.81 59 G 8.15 3.46 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 0.00 60 A 8.90 3.90 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 61 L 7.39 3.74 0.00 1.58 1.55 0.75 1.16 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 62 D 8.38 4.31 0.00 2.81 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 63 K 8.15 3.64 0.00 1.84 1.81 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.45 7.81 64 V 7.73 2.88 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.70 0.00 0.00 65 L 7.54 3.89 0.00 1.83 1.93 0.88 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.49 3.92 0.00 1.76 1.73 0.00 2.92 0.00 0.00 2.85 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 67 N 8.10 4.81 0.00 3.02 3.02 0.00 0.00 6.94 6.77 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 68 Y 8.65 4.69 0.00 2.90 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 *70 K 8.06 4.20 0.00 0.85 1.55 0.00 1.54 0.00 0.00 1.44 0.00 0.00 2.67 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 0.87 7.81 71 D 7.66 4.78 0.00 2.65 2.47 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 72 Y 7.79 4.38 0.00 3.12 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 73 R 8.07 3.55 0.00 1.98 2.11 0.00 3.01 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 74 A 8.60 3.98 1.35 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 0.00 0.00 0.00 75 V 7.46 3.58 2.26 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 1.32 0.00 0.00 1.09 0.00 0.00 76 I 7.30 4.01 1.79 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.53 0.77 0.00 0.00 77 K 7.35 3.97 0.00 1.79 1.88 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.58 7.81 78 S 8.52 4.29 0.00 3.83 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 79 I 8.17 4.10 2.07 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 1.34 0.60 0.53 0.00 0.00 80 G 7.56 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 0.00 0.00 0.00 0.00 81 V 8.38 3.92 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 0.93 0.00 0.00 0.99 0.00 0.00 82 D 8.19 4.37 0.00 2.95 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.91 3.80 0.00 1.71 1.58 0.00 1.41 0.00 0.00 1.53 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.25 1.37 7.81 84 F 8.07 4.12 0.00 3.39 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.60 4.13 0.00 2.10 1.88 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.54 7.81 86 K 7.55 3.86 0.00 1.88 1.92 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.44 7.81 87 V 7.24 3.38 1.09 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 0.39 0.00 0.00 0.10 0.00 0.00 88 Y 7.58 4.14 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 89 R 7.74 3.76 0.00 1.90 1.85 0.00 3.06 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.82 0.00 90 L 7.79 4.07 0.00 1.75 1.77 0.93 0.45 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 91 L 8.23 4.08 0.00 1.56 0.80 0.65 -0.33 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 92 E 8.53 4.15 0.00 2.32 2.24 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 2.29 2.39 0.00 93 S 7.83 4.24 0.00 4.17 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 94 E 8.42 4.46 0.00 2.49 2.56 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 2.85 2.70 0.00 95 T 8.18 3.65 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 0.95 0.00 0.00 *97 E 8.17 4.34 0.00 2.23 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 2.54 2.66 0.00 98 L 7.95 3.62 0.00 0.86 1.56 0.52 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.67 3.82 0.00 1.84 1.43 0.78 0.98 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 0.00 100 H 8.01 4.21 0.00 3.35 3.29 0.00 5.68 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 0.00 101 A 8.05 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.70 3.61 2.03 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 1.59 0.75 0.91 0.00 0.00 103 A 7.63 4.17 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 0.00 104 E 8.78 4.28 0.00 1.91 2.13 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 2.31 2.38 0.00 105 N 8.31 4.93 0.00 2.74 2.70 0.00 0.00 6.84 8.26 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 0.00 106 P 0.00 4.07 0.00 2.05 2.18 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 107 N 8.04 4.61 0.00 2.76 2.85 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 0.00 108 F 8.45 3.56 0.00 2.80 2.86 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 0.00 109 L 7.62 3.49 0.00 1.88 1.77 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 110 F 7.97 4.51 0.00 2.95 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 0.00 111 S 8.12 5.11 0.00 4.25 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 0.00 112 K 8.47 4.33 0.00 1.84 1.95 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.37 7.81 113 F 8.36 4.59 0.00 3.25 3.30 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 0.00 114 D 8.08 4.50 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.93 4.10 0.00 1.85 1.99 0.00 3.15 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 116 S 7.85 4.27 0.00 3.84 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 0.00 117 I 8.04 4.02 2.01 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 1.77 1.61 1.20 0.00 0.00 118 L 7.96 4.46 0.00 1.85 1.86 0.97 0.86 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 0.00 119 G 7.66 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 0.00 120 I 7.40 3.97 1.19 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 1.43 0.53 0.56 0.00 0.00 121 F 8.18 5.05 0.00 3.38 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 4.31 0.00 1.87 1.87 1.21 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.30 0.00 1.41 1.88 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 124 F 8.07 5.14 0.00 3.09 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 0.00 125 F 8.39 4.93 0.00 3.38 3.30 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 0.00 126 S 8.51 3.98 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 0.00 127 K 8.22 3.51 0.00 0.79 1.31 0.00 1.46 0.00 0.00 1.33 0.00 0.00 2.27 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.01 0.61 7.81 128 P 0.00 4.37 0.00 2.19 2.04 0.00 3.49 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 129 I 7.65 3.67 2.03 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 1.21 0.78 0.90 0.00 0.00 *131 F 7.96 5.36 0.00 3.11 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 0.00 132 K 7.82 4.07 0.00 1.97 1.81 0.00 1.92 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.39 7.81 *134 S 7.79 4.25 0.00 4.03 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 0.00 135 I 8.26 3.85 1.88 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 1.42 0.82 0.93 0.00 0.00 136 R 8.26 4.06 0.00 1.83 2.00 0.00 3.31 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 137 E 7.93 3.86 0.00 2.27 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 2.34 2.27 0.00 *139 D 8.24 4.45 0.00 2.88 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 0.00 140 S 8.09 4.22 0.00 4.11 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 0.00 141 Q 8.20 4.06 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 142 I 7.83 3.73 1.95 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.57 0.73 0.00 0.00 143 E 8.22 3.88 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 144 L 8.42 3.91 0.00 1.94 1.95 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 8.57 3.92 0.00 3.29 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 0.00 146 G 8.31 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 0.00 0.00 0.00 147 T 7.49 4.22 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 1.23 0.00 0.00 148 K 8.23 4.02 0.00 1.64 1.76 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.39 7.81 149 L 7.50 3.96 0.00 1.93 1.77 0.80 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.46 0.00 2.16 2.20 0.00 3.49 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 2.10 2.21 0.00 151 L 7.18 4.75 0.00 1.61 1.61 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.75 4.48 0.00 1.56 1.59 0.85 0.65 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 0.00 153 K 7.21 3.72 0.00 2.02 1.77 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.53 7.81 154 L 7.34 4.01 0.00 1.16 0.15 0.68 0.82 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 0.00 155 F 7.90 4.01 0.00 3.22 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 0.00 156 V 7.25 4.11 2.10 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 0.81 0.00 0.00 1.04 0.00 0.00 *158 T 7.94 4.23 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 1.29 0.00 0.00 159 D 8.80 4.53 0.00 2.72 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 0.00 160 E 8.48 4.14 0.00 2.04 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 2.44 2.40 0.00 161 E 8.26 4.17 0.00 2.49 2.26 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 2.47 2.39 0.00 *163 N 8.28 4.62 0.00 3.07 2.94 0.00 0.00 6.62 8.13 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 0.00 164 F 8.08 3.89 0.00 3.12 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 0.00 165 Y 8.34 3.73 0.00 3.17 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 0.00 166 A 7.66 4.08 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 0.00 167 N 7.79 4.36 0.00 2.59 2.69 0.00 0.00 7.02 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 0.00 168 L 5.95 3.38 0.00 1.30 0.52 0.35 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.60 4.47 0.00 1.68 1.81 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.29 7.81 170 T 7.54 4.93 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 1.26 0.00 0.00 171 I 8.34 4.08 1.94 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 1.62 1.14 0.82 0.00 0.00 172 E 8.22 3.96 0.00 2.06 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 0.00 2.45 2.35 0.00 173 Q 7.84 4.04 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 174 Y 8.00 4.34 0.00 3.35 3.38 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 0.00 175 N 8.86 4.20 0.00 3.00 2.85 0.00 0.00 7.12 7.83 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 0.00 176 D 8.11 4.37 0.00 2.89 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 Y 8.35 3.99 0.00 3.22 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 0.00 178 V 7.89 3.62 1.64 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 0.41 0.00 0.00 0.62 0.00 0.00 179 R 7.54 3.38 0.00 2.01 2.00 0.00 3.22 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 180 D 8.17 4.31 0.00 2.59 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 0.00 181 L 8.27 3.91 0.00 1.58 1.50 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.