NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.3999 8.0549 120.6784 62.8521 32.8468 174.2954 4 L 4.5800 9.0009 129.1398 53.2420 43.0686 172.5040 5 E 4.8993 9.1334 123.2888 54.6180 32.7462 175.8755 6 N 4.2211 8.3799 122.9412 52.2674 37.8512 175.5930 7 R 3.9738 8.3832 124.1715 58.6135 30.3473 178.1849 8 R 3.9260 8.0149 117.8978 59.3862 30.3266 178.1606 9 A 4.0826 8.3198 120.5290 55.4560 18.1293 179.8981 10 R 3.9417 7.5051 114.5618 59.5646 30.1956 178.3887 11 H 4.4185 8.2343 117.1741 58.3364 29.8738 175.3406 12 D 4.7288 8.6529 118.8710 54.4184 42.2596 175.9177 13 Y 4.9027 8.0500 114.7288 56.0805 42.4044 174.5647 14 E 4.5291 9.1183 121.2972 55.4552 31.3179 175.3531 15 I 4.7505 8.3641 125.7256 59.1915 38.3040 174.6901 16 L 4.8308 8.8199 131.5930 54.2563 42.6254 179.1715 17 E 4.1823 9.0443 127.8360 57.7080 30.3426 174.8228 18 T 5.0767 7.8706 111.4138 60.3249 72.2093 172.4691 19 Y 4.9770 9.0155 118.7484 56.5689 42.8400 173.7020 20 E 5.2678 9.8448 122.7595 54.7158 32.3403 174.8282 21 A 4.7080 8.6953 125.9625 50.5982 23.5378 175.6664 22 G 4.1573 8.9575 107.2083 45.4470 0.0000 172.8151 23 I 4.9326 7.9371 120.0294 59.1611 40.0837 175.8612 24 A 4.3916 8.7746 129.5018 50.9674 18.4231 176.8294 25 L 4.6766 8.3087 120.7602 54.3961 43.7910 176.6740 26 K 4.7054 8.9239 119.7972 55.1034 36.8702 178.4874 27 G 3.7658 8.3117 109.8703 47.5558 0.0000 175.0105 28 T 4.2396 8.3367 113.5156 61.7997 69.5524 176.0989 29 E 3.8678 8.1719 123.6945 60.0079 29.5553 179.2780 30 V 3.7335 7.7980 117.3442 66.0999 31.4065 178.0414 31 K 3.9701 7.9896 117.6160 59.6000 31.9608 179.3638 32 S 4.1252 8.0503 115.3849 61.5677 62.6761 176.7687 33 L 4.0757 8.1120 121.7263 57.8756 41.1495 179.7853 34 R 3.9962 7.9001 116.5095 58.7328 30.0417 178.1574 35 A 4.3428 7.5893 118.6474 52.0001 18.8003 177.9204 36 G 3.8606 7.9407 105.1778 46.2593 0.0000 175.3491 37 K 4.5414 7.8625 121.3666 54.6308 30.1387 176.0594 38 V 4.8839 7.4660 120.1074 59.7010 35.5541 175.6912 39 D 4.7633 8.8490 121.1650 52.9297 43.9670 176.0475 40 F 4.5461 9.0529 123.6549 58.3838 39.7712 175.5845 41 T 3.9950 8.0224 118.0002 65.3464 68.4118 174.1245 42 G 3.9945 8.9939 113.4511 45.9523 0.0000 172.9542 43 S 4.8421 8.1623 114.5757 57.9788 63.3505 173.1483 44 F 5.1570 8.3316 119.0423 56.0019 41.5169 172.4250 45 A 5.1881 8.8835 121.6537 50.4873 21.4220 175.9315 46 R 4.6837 8.6158 119.4971 55.1343 34.1337 174.2745 47 F 4.9486 8.9093 123.8051 57.5441 40.4874 175.1927 48 E 4.4817 9.9811 123.5933 56.2321 32.0031 174.9031 49 D 4.7529 9.9224 128.2430 55.6291 38.3265 174.9408 50 G 4.0530 8.7274 104.8983 45.3846 0.0000 173.3081 51 E 4.8124 8.1524 118.2972 54.2016 33.7355 174.5546 52 L 4.1955 8.0426 124.4070 54.1240 43.8333 174.7809 53 Y 4.9933 8.6369 123.0299 56.0160 42.1469 174.1909 54 L 4.7226 9.0846 125.2952 53.8464 43.8388 175.0484 55 E 4.5939 8.8614 126.2796 54.8488 32.3876 175.7123 56 N 4.0173 8.4555 118.5034 54.4504 37.6340 173.1536 57 L 4.4001 7.6150 118.1393 53.7848 43.8480 174.2587 58 Y 4.8087 8.5915 127.9788 56.4775 40.4304 173.9965 59 I 4.4918 7.7253 127.2620 58.8398 39.4954 175.4863 60 A 3.6274 7.9840 129.5249 51.2217 18.8171 175.5451 61 P 4.1197 0.0000 0.0000 62.4738 32.1366 176.1692 *70 V 3.7210 7.9436 118.3591 62.3561 32.3603 174.4795 71 D 4.3782 8.5639 126.4183 53.9424 41.4293 175.1088 72 P 4.3080 0.0000 0.0000 64.7435 31.5500 177.6374 73 R 5.2112 8.8202 116.9056 54.5959 30.7624 176.2630 74 R 4.0730 7.6205 114.1326 55.7628 30.0116 175.9321 75 K 4.2923 8.3231 120.9413 56.5263 33.1508 176.1099 76 R 4.7718 8.7169 125.7212 53.9960 33.5762 174.9364 77 K 3.9821 8.7210 124.9937 56.3051 33.4207 175.3560 78 L 4.9131 8.3313 127.4654 53.1856 43.9532 175.8270 79 L 4.5984 8.7566 122.7640 53.1509 43.5947 175.4053 80 L 5.0114 8.3365 123.6518 53.0467 44.4702 176.4852 81 H 4.5554 8.5840 119.5681 55.0718 30.0193 176.4204 82 K 3.8966 8.7874 121.5990 60.2411 31.6759 179.2497 83 H 4.2651 8.0624 114.6701 58.6617 28.4659 177.1469 84 E 4.0714 7.8571 121.5850 58.7469 29.5365 178.1714 85 L 4.0179 8.0259 120.5488 58.2477 41.9389 178.9623 86 R 3.9252 7.9444 117.4724 59.4893 30.0306 178.4443 87 R 4.1738 7.5658 117.3395 59.0138 30.3117 178.4922 88 L 3.9137 8.1313 120.1636 56.7253 42.0275 176.9359 89 L 3.7812 7.4976 118.3413 56.9064 41.7849 177.7294 90 G 3.9920 9.0755 112.3785 45.0514 0.0000 173.6526 91 K 4.4077 7.8038 117.4011 57.0099 33.7659 177.9865 92 V 3.7404 8.0947 118.0145 65.8543 31.4469 176.6955 93 E 4.4790 7.8643 120.8423 54.6973 28.2246 174.5360 94 Q 4.5997 7.7694 120.4320 52.8238 32.7787 175.0112 95 K 3.9083 8.8057 120.2532 58.7868 32.3737 177.0777 96 G 3.9425 8.9626 110.8020 45.4951 0.0000 172.5658 97 L 5.1402 7.7731 118.8885 53.1956 44.4766 176.1814 98 T 4.6282 8.5379 117.7616 61.6934 72.9457 172.8902 99 L 4.8466 8.5893 127.9408 54.4716 43.1577 175.5430 100 V 4.9588 8.6320 120.0181 58.5126 35.7733 173.3915 101 P 4.6838 0.0000 0.0000 63.1755 31.4386 175.8331 102 L 4.3894 9.2862 124.4502 55.9683 43.7472 176.4964 103 K 4.9784 7.4930 114.8863 56.0357 35.7783 174.7187 104 I 5.0205 8.9696 122.4464 59.9653 41.2387 174.1496 105 Y 5.1507 7.8144 122.8953 56.4397 41.9339 172.8987 106 F 5.4172 8.9885 118.1359 55.7590 41.7589 176.0137 107 N 4.9577 8.9617 120.8754 51.6069 39.1450 175.5277 108 E 3.9934 8.9500 116.9240 60.0022 29.3865 178.6314 109 R 4.1991 8.2464 114.1235 56.3268 30.1428 177.0507 110 G 3.9252 8.3559 106.0529 45.8700 0.0000 173.2112 111 Y 4.4611 8.5799 118.1428 57.1736 39.5268 174.7843 112 A 4.1378 8.7317 126.0130 51.5579 19.9771 176.3654 113 K 4.9190 8.7577 121.7461 54.2271 36.6302 175.6649 114 V 4.6926 8.5088 122.1361 59.7901 34.7434 174.0096 115 L 4.9424 8.9067 127.0789 53.9322 43.4218 175.1479 116 L 5.2417 9.4532 126.8585 53.3216 44.7075 175.8038 117 G 4.5215 8.8974 107.7605 44.6081 0.0000 171.6703 118 L 4.8855 8.9925 123.2394 54.0764 42.9921 175.6963 119 A 5.2825 9.3675 126.5497 50.1041 21.7602 175.1452 120 R 4.9363 8.9129 121.6621 53.8483 33.6924 175.0076 121 G 3.8612 8.9737 112.2313 47.0208 0.0000 173.0193 122 K 4.2878 7.8426 124.5187 56.5226 31.8318 176.2446 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 3 V 8.05 4.40 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 1.04 0.00 0.00 0.95 0.00 0.00 4 L 9.00 4.58 0.00 1.87 1.79 1.01 0.51 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 5 E 9.13 4.90 0.00 1.83 1.78 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 2.24 2.31 0.00 6 N 8.38 4.22 0.00 1.54 2.35 0.00 0.00 7.23 8.25 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 7 R 8.38 3.97 0.00 1.89 1.98 0.00 3.36 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 8 R 8.01 3.93 0.00 1.95 2.16 0.00 3.30 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.03 0.00 9 A 8.32 4.08 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 10 R 7.51 3.94 0.00 1.99 2.03 0.00 3.32 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 11 H 8.23 4.42 0.00 3.27 3.36 0.00 5.73 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.65 4.73 0.00 2.72 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 0.00 0.00 0.00 0.00 13 Y 8.05 4.90 0.00 2.92 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 14 E 9.12 4.53 0.00 1.95 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 2.28 2.29 0.00 15 I 8.36 4.75 1.88 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 1.38 0.80 0.91 0.00 0.00 16 L 8.82 4.83 0.00 1.53 1.04 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17 E 9.04 4.18 0.00 1.98 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 18 T 7.87 5.08 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 1.25 0.00 0.00 19 Y 9.02 4.98 0.00 2.85 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 20 E 9.84 5.27 0.00 1.94 1.81 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 2.17 2.26 0.00 21 A 8.70 4.71 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 22 G 8.96 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 0.00 0.00 0.00 23 I 7.94 4.93 1.76 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.57 0.83 0.00 0.00 24 A 8.77 4.39 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 25 L 8.31 4.68 0.00 1.65 1.59 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.92 4.71 0.00 1.71 1.63 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.34 7.81 27 G 8.31 3.77 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 0.00 0.00 0.00 28 T 8.34 4.24 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 1.19 0.00 0.00 29 E 8.17 3.87 0.00 2.16 2.03 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 2.26 2.36 0.00 30 V 7.80 3.73 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 1.11 0.00 0.00 0.98 0.00 0.00 31 K 7.99 3.97 0.00 1.94 1.82 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.51 7.81 32 S 8.05 4.13 0.00 3.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.11 4.08 0.00 2.13 1.92 0.83 0.62 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 34 R 7.90 4.00 0.00 1.87 1.89 0.00 2.81 0.00 0.00 2.96 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 35 A 7.59 4.34 1.36 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 0.00 0.00 0.00 36 G 7.94 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 37 K 7.86 4.54 0.00 1.69 1.75 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.38 7.81 38 V 7.47 4.88 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 0.42 0.00 0.00 0.49 0.00 0.00 39 D 8.85 4.76 0.00 2.89 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 40 F 9.05 4.55 0.00 3.17 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 41 T 8.02 4.00 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 1.26 0.00 0.00 42 G 8.99 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 0.00 0.00 0.00 43 S 8.16 4.84 0.00 4.10 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 44 F 8.33 5.16 0.00 3.29 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 45 A 8.88 5.19 1.12 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 46 R 8.62 4.68 0.00 2.16 1.94 0.00 3.44 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 47 F 8.91 4.95 0.00 3.00 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 48 E 9.98 4.48 0.00 1.98 1.90 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 2.20 2.29 0.00 49 D 9.92 4.75 0.00 2.95 2.78 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 50 G 8.73 4.05 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 0.00 0.00 0.00 51 E 8.15 4.81 0.00 1.84 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 2.26 2.40 0.00 52 L 8.04 4.20 0.00 0.91 1.12 -0.02 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.64 4.99 0.00 2.89 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 54 L 9.08 4.72 0.00 1.62 1.46 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.86 4.59 0.00 1.16 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 2.03 1.93 0.00 56 N 8.46 4.02 0.00 2.79 2.98 0.00 0.00 6.94 7.78 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 57 L 7.62 4.40 0.00 1.76 1.44 0.75 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.59 4.81 0.00 3.01 2.76 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 0.00 0.00 0.00 59 I 7.73 4.49 1.65 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.61 0.76 0.00 0.00 60 A 7.98 3.63 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 61 P 0.00 4.12 0.00 2.05 2.00 0.00 3.74 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 *70 V 7.94 3.72 2.05 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 0.73 0.00 0.00 0.91 0.00 0.00 71 D 8.56 4.38 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 72 P 0.00 4.31 0.00 2.42 2.03 0.00 3.64 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.10 0.00 73 R 8.82 5.21 0.00 1.86 1.92 0.00 3.18 0.00 0.00 3.37 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 74 R 7.62 4.07 0.00 1.92 2.02 0.00 3.05 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 75 K 8.32 4.29 0.00 1.69 1.65 0.00 1.15 0.00 0.00 1.44 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.39 7.81 76 R 8.72 4.77 0.00 1.74 1.74 0.00 3.11 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 77 K 8.72 3.98 0.00 1.72 1.57 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 0.84 7.81 78 L 8.33 4.91 0.00 1.38 1.41 0.78 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.76 4.60 0.00 1.47 1.54 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.34 5.01 0.00 1.48 1.53 0.90 1.12 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 81 H 8.58 4.56 0.00 2.89 3.03 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.79 3.90 0.00 1.80 1.89 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.50 7.81 83 H 8.06 4.27 0.00 3.43 3.60 0.00 5.65 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.86 4.07 0.00 2.08 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 2.66 2.58 0.00 85 L 8.03 4.02 0.00 1.85 1.86 1.04 0.63 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 86 R 7.94 3.93 0.00 1.96 2.16 0.00 3.34 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 87 R 7.57 4.17 0.00 2.22 2.30 0.00 3.27 0.00 0.00 3.53 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 88 L 8.13 3.91 0.00 1.62 1.80 -0.03 0.24 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 89 L 7.50 3.78 0.00 1.59 1.53 0.81 0.32 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 90 G 9.08 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 0.00 0.00 0.00 91 K 7.80 4.41 0.00 1.87 1.93 0.00 1.63 0.00 0.00 1.92 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.45 7.81 92 V 8.09 3.74 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 0.89 0.00 0.00 1.12 0.00 0.00 93 E 7.86 4.48 0.00 2.01 1.91 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 2.33 2.30 0.00 94 Q 7.77 4.60 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 95 K 8.81 3.91 0.00 1.86 1.88 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.49 7.81 96 G 8.96 3.94 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 0.00 0.00 0.00 97 L 7.77 5.14 0.00 1.66 1.60 0.96 0.58 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 98 T 8.54 4.63 4.18 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 1.18 0.00 0.00 99 L 8.59 4.85 0.00 1.79 1.75 0.98 0.79 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 0.00 100 V 8.63 4.96 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 0.61 0.00 0.00 0.84 0.00 0.00 101 P 0.00 4.68 0.00 2.31 2.15 0.00 3.90 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 2.17 2.17 0.00 102 L 9.29 4.39 0.00 1.64 1.66 0.91 0.95 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 0.00 103 K 7.49 4.98 0.00 2.01 1.87 0.00 1.49 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.50 1.81 7.81 104 I 8.97 5.02 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.00 0.71 0.00 0.00 105 Y 7.81 5.15 0.00 3.15 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 0.00 106 F 8.99 5.42 0.00 2.94 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 0.00 107 N 8.96 4.96 0.00 3.12 3.18 0.00 0.00 6.75 7.60 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 0.00 108 E 8.95 3.99 0.00 2.03 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 2.36 2.46 0.00 109 R 8.25 4.20 0.00 2.12 2.05 0.00 3.46 0.00 0.00 3.46 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 110 G 8.36 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 0.00 111 Y 8.58 4.46 0.00 3.16 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 0.00 112 A 8.73 4.14 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 0.00 113 K 8.76 4.92 0.00 0.79 1.21 0.00 1.52 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.48 7.81 114 V 8.51 4.69 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 0.68 0.00 0.00 0.98 0.00 0.00 115 L 8.91 4.94 0.00 1.99 1.68 1.04 0.83 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 0.00 116 L 9.45 5.24 0.00 1.73 1.61 0.86 0.88 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 0.00 117 G 8.90 4.52 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 0.00 118 L 8.99 4.89 0.00 1.73 1.69 1.14 0.86 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 0.00 119 A 9.37 5.28 1.07 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 0.00 0.00 120 R 8.91 4.94 0.00 1.92 1.79 0.00 3.14 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 121 G 8.97 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 0.00 122 K 7.84 4.29 0.00 1.75 1.65 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.34 7.81 * Residues marked with a * may have inaccurate shift predictions.