NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7225 8.1633 120.2785 55.1514 34.1641 173.8000 2 K 4.8406 8.9948 122.1216 53.7824 35.7227 173.3113 3 Q 4.7410 9.1833 126.2537 55.0975 31.3115 173.9497 4 V 4.7140 9.4250 127.9648 61.7444 33.5143 174.4350 5 T 5.3284 8.9144 124.3977 61.9078 71.5873 173.3271 6 A 4.8934 8.9414 125.5310 50.2655 23.5132 175.2472 7 I 4.9263 8.3969 121.5220 59.6431 39.8384 174.8035 8 I 4.9399 8.4665 120.2791 58.2512 41.6818 175.1733 9 K 4.3878 8.3860 121.1172 55.5848 32.8076 176.4850 10 P 4.0559 0.0000 0.0000 65.9937 31.1813 178.2975 11 F 4.9011 7.7503 112.3419 58.6106 39.1707 176.5321 12 K 4.4280 8.0251 120.5121 56.2547 32.0246 177.8470 13 L 3.8940 7.6868 122.1566 58.4934 41.9809 178.2873 14 D 4.4231 8.2399 118.0018 57.7269 40.7426 179.0608 15 E 3.9331 8.0821 118.1484 59.3148 29.5435 179.2180 16 V 3.5433 7.7327 118.2684 65.9886 31.5737 177.6893 17 R 3.8751 8.2424 118.6599 59.8372 29.9897 178.2270 18 E 3.9823 8.3612 118.1697 59.4760 29.3452 179.4184 19 S 4.2838 8.5653 113.6506 61.1754 62.3910 176.0568 20 L 3.9456 8.2340 121.8355 57.9545 41.3774 179.4986 21 A 4.1166 8.0553 120.2958 55.0143 17.9926 179.5203 22 E 3.9738 7.9563 116.2427 58.8465 29.4903 178.7214 23 V 4.2707 7.0281 109.9737 60.7839 31.9400 176.8946 24 G 3.8185 8.1032 106.4762 45.4797 0.0000 173.7694 25 V 4.1561 7.9962 120.4037 61.1927 32.0299 174.8579 26 T 4.6326 8.2000 116.7119 60.3506 71.7979 173.6234 27 G 3.9065 8.8001 107.4504 45.6231 0.0000 173.5209 28 L 4.3110 7.8143 118.5750 54.9722 42.5855 176.6203 29 T 4.5901 8.8440 119.8643 61.9011 70.7730 173.6223 30 V 4.9304 8.4114 125.7031 61.3749 34.0627 174.6319 31 T 4.7115 8.8505 124.0695 61.6459 72.0618 172.9839 32 E 4.5245 8.8151 125.7433 56.3404 30.4897 176.3330 33 V 4.6042 8.5791 116.4498 59.8137 36.8200 174.1582 34 K 4.9113 8.5714 120.2850 54.8355 34.6306 175.8822 35 G 4.0232 8.3015 109.1554 44.3482 0.0000 171.1148 36 F 5.2878 8.4308 117.6854 54.8456 41.6850 173.7718 37 G 4.0141 9.2569 109.7683 46.3027 0.0000 176.4273 *51 Y 4.3844 8.7231 124.0794 56.9487 39.4082 173.5838 52 V 3.9499 7.8835 127.0778 61.3352 31.7998 175.6829 53 V 3.8496 8.3689 127.6403 63.3432 31.6972 173.6727 54 D 4.7621 8.1566 124.3388 56.0548 42.3435 175.2723 55 F 4.4585 8.5619 118.2797 57.6632 39.8530 174.2694 56 L 4.9053 8.5359 123.5663 51.8839 45.5520 174.4665 57 P 4.6171 0.0000 0.0000 62.9679 32.1088 175.6697 58 K 4.6629 8.9547 122.2878 55.0412 37.6644 174.9834 59 V 4.7578 8.5806 119.8440 61.2024 34.9189 173.7886 60 K 4.9487 9.2127 129.1309 54.7951 34.4919 174.7104 61 I 5.0811 8.9512 127.6947 59.6469 40.5643 174.4521 62 E 5.1696 8.9919 124.3685 54.9261 33.6887 175.0181 63 V 4.7202 8.8433 116.3236 59.7376 36.6624 174.1048 64 V 4.9964 8.4311 123.7802 61.4268 33.0347 175.1225 65 V 4.6334 8.7300 120.6335 59.0135 36.0405 175.0077 66 D 4.6916 8.6014 121.4114 54.2291 42.2174 176.7560 67 D 4.4327 8.9276 124.0107 57.7659 40.8596 179.1381 68 K 4.2611 8.1249 115.1899 57.8269 32.5399 178.1949 69 V 3.9981 7.7774 118.0753 63.5425 31.5801 177.4389 70 V 3.5744 7.2075 117.2265 66.6066 31.1974 177.4483 71 E 3.9590 8.2045 117.5790 59.6614 29.3727 179.3572 72 Q 4.0033 8.0659 116.2721 58.5520 28.8645 178.1061 73 A 3.9336 8.1490 123.4591 55.1359 18.4962 179.6761 74 V 3.4942 7.9460 116.9630 66.0135 31.5316 177.5407 75 D 4.2961 8.3403 117.7396 57.5683 41.1941 178.3180 76 A 3.9994 8.3797 121.4102 55.0798 18.2266 179.7533 77 I 3.6973 7.7803 118.5930 64.4731 37.1919 178.5607 78 I 3.6658 7.8096 120.6646 64.2553 36.7061 178.5703 79 K 3.9102 7.9819 117.8136 59.5712 32.0351 178.9849 80 A 4.0944 7.7147 118.7569 54.6689 18.3809 178.7458 81 A 4.3785 7.9685 117.4941 52.1532 19.9530 177.8503 82 R 4.0887 7.5760 118.6398 56.7961 30.4696 176.1881 83 T 4.3900 10.1086 115.0092 60.9268 70.4895 175.2372 84 G 3.9289 8.8553 109.5439 45.1253 0.0000 172.9012 85 K 4.6165 7.7136 118.6003 53.6226 34.7700 175.5592 86 I 3.6691 8.1339 121.1146 62.8860 38.0931 176.0594 87 G 4.1190 8.9410 114.2713 45.5181 0.0000 174.2463 88 D 4.2954 7.6094 118.9313 55.5537 41.1029 175.1278 89 G 4.0817 8.3951 102.1776 44.8342 0.0000 172.2870 90 K 4.6044 8.1066 115.4246 54.9181 36.8182 175.5005 91 I 4.7231 7.9457 121.8734 59.5290 40.1756 175.0300 92 F 5.3228 9.1785 123.8618 55.6756 43.3491 174.3466 93 V 4.9149 8.4951 119.8310 60.3096 33.7719 174.6585 94 Q 4.8078 8.7556 123.2337 53.5945 32.6800 174.3689 95 E 4.4509 8.6964 121.9497 56.0481 30.7211 175.7275 96 V 4.3355 8.0695 126.1853 61.2628 32.8673 175.4618 97 E 4.1442 9.0325 127.8899 59.0412 29.7655 176.8592 98 Q 4.5876 7.5720 116.2069 54.4097 32.6362 173.4246 99 V 4.5497 8.1571 121.3252 61.2547 35.0926 173.9504 100 I 5.0106 8.3764 127.2680 59.5237 40.8280 174.5850 101 R 4.3361 8.7118 127.5672 54.9944 30.7393 176.7589 102 I 3.6710 8.7060 127.9974 64.6512 37.4385 177.3078 103 R 4.0467 8.1877 118.6409 58.9765 29.9193 176.7468 104 T 4.2887 8.0029 105.2495 62.2498 70.4224 175.0591 105 G 4.0912 8.1877 107.9340 44.7233 0.0000 173.3961 106 E 4.0399 8.1084 120.8856 56.4144 29.9945 176.4512 107 T 5.3573 7.7190 111.8136 59.1323 72.6850 174.9300 108 G 3.8032 8.2253 110.2776 46.3887 0.0000 174.9725 109 P 4.3341 0.0000 0.0000 64.6952 31.6540 178.0640 110 D 4.4379 7.5845 117.2462 56.5862 40.8282 177.1952 111 A 4.2613 7.9881 120.6176 52.9163 19.2613 177.3662 112 V 3.8533 7.2326 119.0265 62.9247 31.5130 175.4830 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 1 M 8.16 4.72 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 2 K 8.99 4.84 0.00 1.65 1.68 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.61 7.81 3 Q 9.18 4.74 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 4 V 9.42 4.71 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 0.90 0.00 0.00 0.94 0.00 0.00 5 T 8.91 5.33 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 1.38 0.00 0.00 6 A 8.94 4.89 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 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.40 4.93 1.78 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 1.32 1.13 0.88 0.00 0.00 8 I 8.47 4.94 1.84 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 1.32 0.91 0.86 0.00 0.00 9 K 8.39 4.39 0.00 1.83 1.74 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.56 7.81 10 P 0.00 4.06 0.00 1.54 1.79 0.00 3.45 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 11 F 7.75 4.90 0.00 3.06 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 12 K 8.03 4.43 0.00 1.99 1.83 0.00 1.86 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.58 7.81 13 L 7.69 3.89 0.00 1.88 1.70 0.93 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.24 4.42 0.00 2.75 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 15 E 8.08 3.93 0.00 2.02 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 2.37 0.00 16 V 7.73 3.54 2.21 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 1.07 0.00 0.00 0.95 0.00 0.00 17 R 8.24 3.88 0.00 1.89 2.09 0.00 3.16 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 18 E 8.36 3.98 0.00 2.23 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 2.45 2.47 0.00 19 S 8.57 4.28 0.00 3.85 4.07 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 20 L 8.23 3.95 0.00 1.97 1.93 0.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.06 4.12 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 E 7.96 3.97 0.00 2.16 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 0.00 2.34 2.46 0.00 23 V 7.03 4.27 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 0.73 0.00 0.00 0.99 0.00 0.00 24 G 8.10 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 0.00 0.00 0.00 25 V 8.00 4.16 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 0.84 0.00 0.00 0.93 0.00 0.00 26 T 8.20 4.63 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 1.21 0.00 0.00 27 G 8.80 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 0.00 0.00 0.00 28 L 7.81 4.31 0.00 1.54 1.62 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.84 4.59 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 30 V 8.41 4.93 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 0.93 0.00 0.00 31 T 8.85 4.71 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 1.21 0.00 0.00 32 E 8.82 4.52 0.00 1.84 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 0.00 2.27 2.32 0.00 33 V 8.58 4.60 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 0.89 0.00 0.00 34 K 8.57 4.91 0.00 1.39 1.39 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.49 7.81 35 G 8.30 4.02 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 0.00 0.00 0.00 36 F 8.43 5.29 0.00 2.89 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 37 G 9.26 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *51 Y 8.72 4.38 0.00 2.94 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.88 3.95 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 0.79 0.00 0.00 0.90 0.00 0.00 53 V 8.37 3.85 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 0.95 0.00 0.00 1.12 0.00 0.00 54 D 8.16 4.76 0.00 2.93 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 55 F 8.56 4.46 0.00 2.97 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 56 L 8.54 4.91 0.00 1.46 1.46 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.62 0.00 1.81 1.88 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 58 K 8.95 4.66 0.00 1.54 1.59 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.71 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.43 7.81 59 V 8.58 4.76 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 0.98 0.00 0.00 0.87 0.00 0.00 60 K 9.21 4.95 0.00 1.82 1.63 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.43 7.81 61 I 8.95 5.08 1.85 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 1.22 0.55 0.91 0.00 0.00 62 E 8.99 5.17 0.00 1.89 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 0.00 2.25 2.29 0.00 63 V 8.84 4.72 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 0.75 0.00 0.00 0.99 0.00 0.00 64 V 8.43 5.00 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 0.85 0.00 0.00 0.94 0.00 0.00 65 V 8.73 4.63 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 0.65 0.00 0.00 0.98 0.00 0.00 66 D 8.60 4.69 0.00 2.71 2.54 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 67 D 8.93 4.43 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.12 4.26 0.00 1.75 1.86 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.42 7.81 69 V 7.78 4.00 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 1.01 0.00 0.00 0.93 0.00 0.00 70 V 7.21 3.57 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 1.06 0.00 0.00 0.98 0.00 0.00 71 E 8.20 3.96 0.00 2.05 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 2.40 2.38 0.00 72 Q 8.07 4.00 0.00 2.27 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 73 A 8.15 3.93 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 74 V 7.95 3.49 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 0.97 0.00 0.00 0.95 0.00 0.00 75 D 8.34 4.30 0.00 2.91 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 76 A 8.38 4.00 1.42 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 0.00 0.00 77 I 7.78 3.70 1.84 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 1.50 0.64 0.87 0.00 0.00 78 I 7.81 3.67 1.96 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 1.71 1.05 0.90 0.00 0.00 79 K 7.98 3.91 0.00 1.72 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.69 7.81 80 A 7.71 4.09 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 81 A 7.97 4.38 1.27 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 0.00 0.00 82 R 7.58 4.09 0.00 1.82 1.92 0.00 3.20 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 83 T 10.11 4.39 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 84 G 8.86 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.71 4.62 0.00 1.81 1.70 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.48 7.81 86 I 8.13 3.67 1.87 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 1.35 0.74 0.91 0.00 0.00 87 G 8.94 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 0.00 0.00 0.00 0.00 88 D 7.61 4.30 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.40 4.08 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 0.00 0.00 0.00 90 K 8.11 4.60 0.00 1.42 1.16 0.00 1.69 0.00 0.00 1.94 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.42 7.81 91 I 7.95 4.72 1.76 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 1.23 0.47 0.90 0.00 0.00 92 F 9.18 5.32 0.00 2.89 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 93 V 8.50 4.91 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 0.78 0.00 0.00 0.96 0.00 0.00 94 Q 8.76 4.81 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.04 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 95 E 8.70 4.45 0.00 1.97 1.84 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 2.29 2.37 0.00 96 V 8.07 4.34 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 0.86 0.00 0.00 0.94 0.00 0.00 97 E 9.03 4.14 0.00 2.00 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 2.31 2.29 0.00 98 Q 7.57 4.59 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 99 V 8.16 4.55 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 0.96 0.00 0.00 0.93 0.00 0.00 100 I 8.38 5.01 1.87 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 1.23 0.66 0.91 0.00 0.00 101 R 8.71 4.34 0.00 1.89 1.96 0.00 3.17 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 102 I 8.71 3.67 1.87 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 1.30 0.65 0.91 0.00 0.00 103 R 8.19 4.05 0.00 1.76 1.98 0.00 3.19 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 104 T 8.00 4.29 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 1.21 0.00 0.00 105 G 8.19 4.09 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 0.00 0.00 0.00 106 E 8.11 4.04 0.00 2.01 1.89 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 2.33 2.25 0.00 107 T 7.72 5.36 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 1.28 0.00 0.00 108 G 8.23 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 0.00 109 P 0.00 4.33 0.00 2.19 2.11 0.00 3.60 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 2.10 0.00 110 D 7.58 4.44 0.00 2.86 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 0.00 111 A 7.99 4.26 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 0.00 112 V 7.23 3.85 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 0.85 0.00 0.00 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.