NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.7141 8.2714 118.2135 52.3217 38.9497 174.9119 12 G 3.4431 8.3908 104.5501 46.8333 0.0000 170.8301 13 V 3.6477 8.0886 120.4012 65.9714 32.0362 175.5859 14 H 4.1586 8.9022 118.3917 59.5630 29.6620 176.5907 15 D 4.2700 7.8097 120.4547 57.5169 40.2248 178.7550 16 F 4.0389 8.2781 120.7265 61.4381 39.2513 177.3248 17 I 3.7756 7.9977 119.1683 64.3440 36.9898 178.1438 18 L 3.9197 8.2105 120.2378 57.9369 41.5553 179.6235 19 V 3.5216 7.7654 117.8904 66.4335 31.2721 178.3867 20 R 3.9308 7.5529 116.3249 58.6715 29.8062 179.0441 21 A 3.9741 8.2779 121.4684 55.4448 18.4188 179.8408 22 T 3.9044 8.1650 108.1502 64.7477 68.6240 176.4815 23 A 3.9854 7.9498 123.6289 55.1307 18.4041 179.6617 24 I 3.6856 7.6185 118.2009 64.3585 37.1438 178.8154 25 V 3.6391 7.6742 118.5678 66.2640 31.4724 178.2364 26 L 4.1825 8.4047 118.8989 58.0144 41.3746 179.7047 27 T 4.0171 8.3831 116.3175 66.4543 68.3382 176.8094 28 L 4.2124 8.0898 121.2267 57.8054 41.5998 178.8174 29 Y 3.2111 8.4712 119.6592 60.5080 38.7276 178.1643 30 I 3.6496 8.0526 120.7517 64.3438 37.1268 178.3359 31 I 3.7194 7.7768 120.6733 64.7432 37.1217 177.8592 32 Y 4.1229 8.0977 120.1673 60.9663 38.7274 177.9671 33 M 3.9695 8.2392 120.0630 58.2182 32.0189 178.9353 34 V 3.8016 8.4191 119.0483 65.5329 31.3994 178.1691 35 G 3.6556 8.1266 105.4473 47.8078 0.0000 174.8919 36 F 3.9898 7.7396 123.1319 60.8190 39.0739 176.9808 37 F 3.5187 7.9695 115.2078 60.5423 38.9312 177.5209 38 A 4.2325 8.1805 118.6593 53.7316 19.4660 177.8532 39 T 4.5540 7.1979 106.6982 59.4486 68.5639 173.0328 40 S 4.3338 7.4695 116.8736 57.9585 68.8471 177.0069 41 G 3.6319 7.4832 108.1855 45.7441 0.0000 175.3046 42 E 3.8710 8.9887 129.2955 56.4970 28.9931 177.3088 43 L 4.3749 8.0070 127.7102 53.6751 40.4471 177.3496 44 T 4.2368 7.4717 111.5998 61.0736 70.3215 176.0430 45 Y 4.3136 8.7523 123.2310 60.3639 38.7531 177.7435 46 E 4.0980 8.1752 119.2797 58.6329 30.1458 178.0213 47 V 3.8585 7.6688 112.2299 63.3611 31.4983 178.5033 48 W 4.4192 8.2425 128.6413 60.7234 30.4813 178.0590 49 I 3.6246 7.3606 116.7733 63.5668 37.5133 177.8300 50 G 3.6881 7.9588 106.7245 47.5691 0.0000 175.3712 51 F 4.0221 7.8586 123.4405 60.9375 39.1412 176.5056 52 F 3.9417 7.4277 113.2805 57.9687 38.9283 176.7249 53 A 4.3600 7.3385 120.5292 52.6960 19.4200 178.0891 54 S 3.9634 7.0689 111.0658 58.6080 63.1339 174.9408 55 A 3.9296 8.7783 129.0584 55.2612 18.1015 179.5243 56 F 3.8186 8.1745 118.5514 61.8551 39.4969 177.4143 57 T 3.7983 7.7871 114.7585 66.2452 68.2109 176.6822 58 K 3.8102 8.0409 120.6000 59.4741 32.1498 179.5215 59 V 3.4060 7.7758 118.2789 66.0582 31.4862 177.6302 60 F 4.1221 7.9213 120.3789 61.7169 39.0144 177.3515 61 T 3.5081 7.9486 115.1492 66.4243 68.2708 176.7988 62 L 3.8002 7.7662 120.8440 57.6727 41.6380 179.0725 63 L 3.9982 8.3767 120.4137 58.4873 41.8936 179.0281 64 A 3.9249 7.9600 120.4606 54.9673 18.1306 179.6796 65 L 3.9365 7.8410 117.6519 57.7715 41.6749 179.5494 66 F 4.1135 8.3991 117.9033 60.8141 38.8233 177.7074 67 S 4.2501 8.2076 114.6416 61.7570 62.5065 177.0057 68 I 3.7539 7.9085 122.2737 64.3035 36.8046 177.8137 69 L 4.2108 7.9626 121.2606 58.7731 41.8332 179.1116 70 I 3.9382 7.9763 119.2859 64.4807 37.0906 177.5707 71 H 4.0391 8.7666 118.9887 59.7053 29.7215 177.2272 72 A 4.1202 9.1113 123.4328 54.7140 18.1978 179.4102 73 W 4.4982 8.1484 127.0892 60.8590 30.9376 177.9301 74 I 3.2699 7.7724 119.8537 64.3350 36.7022 178.4684 75 G 3.5981 8.1518 106.0814 48.3411 0.0000 175.6247 76 M 4.1795 8.5251 122.2064 57.5137 31.9598 178.7609 77 W 3.8563 7.9701 128.6730 60.3507 30.5300 177.9721 78 Q 3.6194 7.8489 116.8636 58.7901 28.4386 178.8258 79 V 3.5749 7.5046 118.5324 66.0427 31.6618 177.9437 80 L 4.0049 7.8544 118.9135 57.9145 41.2932 178.9370 81 T 3.9013 6.9725 106.0875 62.5288 68.9089 175.5554 82 D 4.2419 7.2441 121.9055 56.2719 41.4883 176.6797 83 Y 4.5052 7.2625 114.3534 59.0860 39.2315 175.9484 84 V 4.0567 7.8848 120.9074 61.4364 30.4514 175.8673 85 K 4.0482 8.4741 125.5595 58.5710 32.6075 176.4733 86 P 4.1988 0.0000 0.0000 62.9852 31.9080 176.6382 87 L 3.8980 8.9338 124.6795 58.8556 41.9915 178.1330 88 A 3.9303 8.2146 119.5413 55.4403 18.1293 178.6797 89 L 3.8490 7.9530 116.3144 58.3101 42.1027 179.8237 90 R 3.9146 8.0386 118.2330 59.4276 30.1243 178.3816 91 L 4.0688 8.1784 118.9894 58.1186 41.6726 179.4064 92 M 4.0859 8.2766 118.6093 58.5462 31.8647 178.8758 93 L 4.0779 8.0699 119.0093 57.8825 41.6747 179.6266 94 Q 4.2254 8.5272 118.3349 58.6567 28.5551 178.3569 95 L 3.8332 8.0671 121.4602 58.3670 42.1757 178.7850 96 V 3.5171 7.6553 117.7060 66.3198 31.4214 177.6232 97 I 3.6803 8.0929 119.2008 64.6692 37.0339 178.6215 98 V 3.2435 7.9523 118.8696 65.9283 31.3906 177.9969 99 V 3.4525 7.8379 118.0551 66.0048 31.1834 177.6495 100 A 3.7774 8.3466 120.4375 55.2889 18.0960 179.5848 101 L 3.4219 7.4881 117.2212 57.8085 41.6188 180.0874 102 V 3.5264 8.0420 118.6326 65.6163 31.2962 178.0888 103 V 3.6048 8.1738 118.5314 66.4851 31.3597 177.3761 104 Y 4.7547 8.1186 116.5021 61.5868 37.8134 179.4092 105 V 3.5943 7.6894 118.8697 65.9239 31.6682 178.2167 106 I 3.8290 8.0316 119.7348 64.5993 36.9841 177.7998 107 Y 4.3364 9.2439 121.7555 60.5625 38.5142 178.3928 108 G 3.4636 8.2934 106.9753 47.6984 0.0000 175.7272 109 F 3.8925 8.1744 120.1034 60.0656 38.3452 177.8816 110 V 3.7961 7.6566 117.7430 65.4745 31.2221 178.2269 111 V 3.2319 7.2630 116.9119 66.2038 31.4857 178.1526 112 V 3.8125 7.6990 113.1553 64.4502 31.5796 178.8595 *113 W 4.2708 7.5013 120.7872 60.4862 28.7203 179.3830 114 G 4.2853 7.3709 107.7706 44.8886 0.0000 173.8806 115 V 3.9583 7.3327 122.8241 62.8844 31.8046 174.2357 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 11 N 8.27 4.71 0.00 2.96 3.03 0.00 0.00 6.02 6.21 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 12 G 8.39 3.44 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 0.00 13 V 8.09 3.65 2.23 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 1.05 0.00 0.00 0.89 0.00 0.00 14 H 8.90 4.16 0.00 3.31 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.81 4.27 0.00 2.89 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 16 F 8.28 4.04 0.00 3.26 3.23 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 17 I 8.00 3.78 2.07 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 1.72 0.91 0.95 0.00 0.00 18 L 8.21 3.92 0.00 1.63 1.68 0.75 0.79 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 19 V 7.77 3.52 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 0.87 0.00 0.00 0.77 0.00 0.00 20 R 7.55 3.93 0.00 1.82 1.85 0.00 2.27 0.00 0.00 2.70 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.36 0.00 21 A 8.28 3.97 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 22 T 8.17 3.90 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 23 A 7.95 3.99 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.62 3.69 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 1.43 0.87 0.95 0.00 0.00 25 V 7.67 3.64 2.28 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 1.13 0.00 0.00 1.00 0.00 0.00 26 L 8.40 4.18 0.00 1.80 1.77 0.91 0.71 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 27 T 8.38 4.02 4.49 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 1.27 0.00 0.00 28 L 8.09 4.21 0.00 2.20 2.08 1.00 0.86 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 29 Y 8.47 3.21 0.00 2.97 3.09 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 0.00 0.00 0.00 30 I 8.05 3.65 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.49 0.93 0.00 0.00 31 I 7.78 3.72 2.12 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 1.46 0.93 1.00 0.00 0.00 32 Y 8.10 4.12 0.00 3.26 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 33 M 8.24 3.97 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 34 V 8.42 3.80 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 1.10 0.00 0.00 0.93 0.00 0.00 35 G 8.13 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 36 F 7.74 3.99 0.00 2.52 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 37 F 7.97 3.52 0.00 3.06 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 38 A 8.18 4.23 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 39 T 7.20 4.55 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 1.14 0.00 0.00 40 S 7.47 4.33 0.00 3.40 3.09 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 0.00 0.00 0.00 41 G 7.48 3.63 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 0.00 42 E 8.99 3.87 0.00 1.95 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 2.30 2.30 0.00 43 L 8.01 4.37 0.00 1.57 1.55 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.47 4.24 4.33 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 1.25 0.00 0.00 45 Y 8.75 4.31 0.00 3.17 3.08 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 0.00 0.00 0.00 46 E 8.18 4.10 0.00 2.21 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 2.36 2.45 0.00 47 V 7.67 3.86 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 0.85 0.00 0.00 1.13 0.00 0.00 48 W 8.24 4.42 0.00 3.40 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.36 3.62 1.36 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 0.78 0.00 0.00 50 G 7.96 3.69 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 0.00 0.00 0.00 51 F 7.86 4.02 0.00 2.74 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 52 F 7.43 3.94 0.00 2.60 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 53 A 7.34 4.36 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 54 S 7.07 3.96 0.00 3.80 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 55 A 8.78 3.93 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.17 3.82 0.00 3.13 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 57 T 7.79 3.80 3.83 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 0.04 0.00 0.00 58 K 8.04 3.81 0.00 1.86 1.76 0.00 1.61 0.00 0.00 1.52 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.50 7.81 59 V 7.78 3.41 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 0.69 0.00 0.00 0.82 0.00 0.00 60 F 7.92 4.12 0.00 2.67 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 61 T 7.95 3.51 4.48 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 1.25 0.00 0.00 62 L 7.77 3.80 0.00 1.54 1.56 0.35 -0.57 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 63 L 8.38 4.00 0.00 1.67 1.91 0.84 1.08 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 64 A 7.96 3.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.84 3.94 0.00 1.75 1.61 0.87 0.92 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 66 F 8.40 4.11 0.00 3.24 3.09 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 0.00 0.00 0.00 67 S 8.21 4.25 0.00 4.12 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 68 I 7.91 3.75 2.12 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 1.47 1.17 1.08 0.00 0.00 69 L 7.96 4.21 0.00 1.79 2.07 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.98 3.94 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 1.52 0.87 0.97 0.00 0.00 71 H 8.77 4.04 0.00 3.32 3.45 0.00 5.78 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 72 A 9.11 4.12 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 73 W 8.15 4.50 0.00 3.38 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 74 I 7.77 3.27 1.90 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.79 0.80 0.00 0.00 75 G 8.15 3.60 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 76 M 8.53 4.18 0.00 2.15 2.41 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.92 0.00 77 W 7.97 3.86 0.00 2.15 2.84 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 78 Q 7.85 3.62 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.72 0.00 0.00 0.00 0.00 0.00 2.65 2.78 0.00 79 V 7.50 3.57 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 1.27 0.00 0.00 1.04 0.00 0.00 80 L 7.85 4.00 0.00 1.69 1.63 1.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 81 T 6.97 3.90 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 0.08 0.00 0.00 82 D 7.24 4.24 0.00 1.88 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 0.00 0.00 0.00 0.00 83 Y 7.26 4.51 0.00 2.96 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.88 4.06 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 0.79 0.00 0.00 0.98 0.00 0.00 85 K 8.47 4.05 0.00 1.79 1.84 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.39 7.81 86 P 0.00 4.20 0.00 2.18 2.02 0.00 3.62 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 2.13 2.10 0.00 87 L 8.93 3.90 0.00 1.76 1.68 0.96 1.03 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 88 A 8.21 3.93 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.95 3.85 0.00 1.77 1.72 0.94 0.81 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 90 R 8.04 3.91 0.00 2.08 1.93 0.00 3.08 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 91 L 8.18 4.07 0.00 1.90 1.75 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.28 4.09 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 93 L 8.07 4.08 0.00 1.91 1.78 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.53 4.23 0.00 2.41 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 3.10 2.65 0.00 95 L 8.07 3.83 0.00 1.85 1.86 0.86 0.70 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 96 V 7.66 3.52 2.23 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 0.78 0.00 0.00 0.93 0.00 0.00 97 I 8.09 3.68 2.16 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 1.48 1.12 1.11 0.00 0.00 98 V 7.95 3.24 1.79 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 0.65 0.00 0.00 -0.20 0.00 0.00 99 V 7.84 3.45 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 0.92 0.00 0.00 0.93 0.00 0.00 100 A 8.35 3.78 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 0.00 101 L 7.49 3.42 0.00 1.79 1.65 1.13 0.68 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 0.00 102 V 8.04 3.53 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 0.94 0.00 0.00 0.86 0.00 0.00 103 V 8.17 3.60 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 1.07 0.00 0.00 0.96 0.00 0.00 104 Y 8.12 4.75 0.00 3.29 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 0.00 105 V 7.69 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 0.60 0.00 0.00 0.69 0.00 0.00 106 I 8.03 3.83 1.93 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 1.35 1.08 0.94 0.00 0.00 107 Y 9.24 4.34 0.00 3.01 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 0.00 108 G 8.29 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 0.00 109 F 8.17 3.89 0.00 3.45 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 0.00 110 V 7.66 3.80 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 0.97 0.00 0.00 111 V 7.26 3.23 1.79 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 0.69 0.00 0.00 0.19 0.00 0.00 112 V 7.70 3.81 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 0.71 0.00 0.00 0.81 0.00 0.00 *113 W 7.50 4.27 0.00 2.66 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 0.00 0.00 0.00 0.00 114 G 7.37 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.33 3.96 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 0.76 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.