NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.6330 8.1576 120.1790 57.0138 36.5797 176.6480 20 T 4.9243 8.7761 108.3281 58.2247 72.0399 170.1073 21 Y 5.0234 7.9235 119.9792 54.3704 42.0393 174.3109 22 P 4.9451 0.0000 0.0000 62.9863 32.9377 175.2280 23 L 4.7045 8.4699 122.1460 53.3791 46.0493 175.0307 24 A 4.4493 8.8150 128.6421 52.2176 19.2295 178.3343 25 A 3.9682 9.1019 126.0987 55.0816 18.6380 180.1411 26 G 3.6737 8.2390 103.8512 47.7242 0.0000 174.1358 27 A 4.3986 7.8002 121.4958 52.4318 19.5742 177.7117 28 L 4.1412 7.6182 116.3530 54.6977 42.3676 176.7642 29 K 4.6682 8.1489 120.3704 53.7450 35.7128 175.6527 30 K 3.9716 8.4177 122.2551 58.2746 32.4124 177.1659 31 G 3.8745 9.0589 115.2908 44.9996 0.0000 173.9668 32 G 3.7932 7.8332 107.1401 45.9837 0.0000 173.0983 33 Y 5.1450 8.2526 118.7533 57.9791 39.0509 175.3252 34 V 4.4255 8.7329 119.8020 61.1315 35.2064 172.0339 35 C 5.1965 8.8485 120.6148 58.4188 29.9300 173.5437 36 I 4.4732 8.1648 123.2058 60.7466 39.7575 175.4683 37 N 4.2504 10.0083 121.9650 54.3263 36.0378 175.3913 38 G 3.9603 8.5241 104.1870 45.5165 0.0000 174.1488 39 R 4.6199 7.8908 119.7146 53.6672 32.0403 173.3771 40 P 4.9370 0.0000 0.0000 62.5455 32.9187 174.7695 41 C 5.3968 9.3200 121.3221 57.7257 33.2043 172.5028 42 K 4.8231 8.7398 121.9783 54.2997 34.3163 175.4929 43 V 4.1198 8.8981 128.7299 63.4066 31.8081 176.0628 44 I 4.3524 8.8169 121.2034 61.2943 39.5995 175.4861 45 D 4.8806 7.7951 121.4451 52.8324 45.3360 174.2285 46 L 5.2947 8.3909 120.4505 53.3300 45.8703 175.7162 47 S 4.7145 8.9708 115.3020 56.8557 66.3747 172.7596 48 V 5.0459 8.1864 124.2317 60.8367 34.2189 175.3097 49 S 4.4938 9.0291 124.6577 58.1644 64.0038 174.8051 50 K 3.9766 8.6889 124.4998 55.7084 31.9130 178.4681 51 T 4.7372 7.9826 113.5611 59.9259 69.6743 173.5519 *56 H 4.7284 8.1956 115.6414 56.6309 29.8193 172.0219 57 A 4.8565 7.8761 119.3734 51.2556 23.3759 175.2799 58 K 4.8053 9.1585 120.6582 54.7464 34.7021 175.0144 59 V 4.6867 8.9494 127.6749 61.4808 33.6606 174.3121 60 S 5.1754 9.1112 124.4114 56.8275 65.5156 173.1538 61 I 5.0179 8.9581 125.3220 59.3990 40.6350 174.6520 62 V 4.9339 8.7191 125.1685 61.1697 34.5423 174.1660 63 A 5.0948 9.2591 128.1057 50.8664 23.3982 174.6177 64 T 4.9715 8.6200 116.5140 61.3311 71.3955 173.6329 65 D 4.8714 9.0935 127.6275 54.5725 41.6236 177.3601 66 I 3.8039 8.6564 120.1409 62.7130 37.9773 176.7081 67 F 4.9423 8.5115 119.6053 58.4003 40.2129 176.5967 68 T 4.3146 8.3823 108.1842 60.9174 69.7955 175.6945 69 G 3.9494 8.2482 109.5981 45.4115 0.0000 173.4716 70 N 4.5829 7.8995 117.5898 53.1223 39.9701 173.9981 71 R 4.8136 8.4353 122.3353 55.4602 31.2034 175.4347 72 L 5.0022 9.1825 126.0281 53.0131 45.6486 175.3522 73 E 5.2134 8.5653 119.5970 55.1267 33.5439 174.3300 74 D 4.7537 8.6730 120.0370 53.7143 45.3298 173.8812 75 Q 5.1324 8.3879 119.4836 54.6670 33.1319 174.0967 76 A 4.6095 8.8838 121.9974 50.0397 23.3426 174.1678 77 P 4.7862 0.0000 0.0000 62.5295 32.2316 178.1514 78 S 4.1589 9.2044 118.2141 61.1313 62.9711 175.9404 79 T 4.2110 7.6301 108.8778 62.1343 69.4716 174.2193 80 H 4.4001 8.1372 124.1981 56.2736 31.2551 173.7208 81 N 5.0770 8.2795 122.6713 52.5060 39.2427 175.5866 82 V 3.9935 8.5539 117.8686 61.0884 33.6549 174.9706 83 E 4.7705 8.5044 121.4032 55.0805 31.6615 175.1804 84 V 4.4610 8.1274 124.3160 60.0724 33.8185 173.0939 85 P 4.7501 0.0000 0.0000 62.3649 32.3140 176.0696 86 F 4.5435 8.7473 121.9963 57.8294 39.4630 174.8366 87 V 4.5619 8.5716 123.0828 60.9948 33.6670 174.5896 88 K 4.8788 9.1002 126.7784 54.9870 35.4961 175.2713 89 T 5.2475 8.4503 118.2812 62.2263 72.4380 172.7049 90 Y 4.5616 9.2047 125.0718 56.3095 42.8876 173.5338 91 T 5.1778 7.4821 121.2499 62.0517 71.0178 173.1100 92 Y 5.2267 9.1989 123.3337 56.2677 42.2104 174.8497 93 S 5.2328 8.9221 115.9370 57.0870 66.0745 173.1781 94 V 4.4640 8.6536 122.4440 62.3039 31.2560 175.7744 95 L 4.5036 8.9838 129.0838 57.0658 42.6391 176.4759 96 D 4.5076 7.3055 115.0627 53.5715 44.6222 174.5862 97 I 4.9140 8.1026 122.9514 59.5391 40.5194 174.8604 98 Q 4.6439 8.9316 125.2679 53.5570 32.1913 175.0219 99 A 4.3021 8.7471 125.6942 51.6798 19.2479 176.7937 100 N 4.3405 8.5545 119.0216 53.3411 39.6618 175.0150 101 E 3.8893 8.8803 123.9067 58.8606 29.8655 176.5768 102 D 4.6946 8.9630 119.0868 51.4466 40.5835 174.7279 103 P 4.2933 0.0000 0.0000 65.0721 31.2078 177.5903 104 S 4.3433 8.0741 112.0384 59.0185 63.4711 173.8801 105 L 4.6830 7.4918 121.0549 52.0136 43.6804 174.4306 106 P 4.2257 0.0000 0.0000 62.8179 31.9084 176.5554 107 A 4.1477 8.2553 122.9184 52.3308 19.8993 176.2592 108 H 5.1869 8.9941 117.0164 54.5304 30.4193 174.5848 109 L 4.9811 8.6439 121.4344 53.0449 44.7645 175.2186 110 S 4.9372 8.6206 117.2809 56.5534 64.7454 172.7495 111 L 5.2877 8.7793 126.4337 53.1278 45.7270 174.9086 112 M 5.1208 9.2701 123.6300 54.0184 34.3072 175.8057 113 D 5.1351 9.1087 126.7326 52.4386 41.5175 176.2210 114 D 4.7605 8.8037 117.4360 54.1444 39.5276 176.5419 115 E 4.5039 8.7867 118.7461 56.3580 29.7965 176.7567 116 G 3.9497 8.0905 105.8831 45.6005 0.0000 173.2919 117 E 4.8391 8.2212 119.1192 54.3952 31.8986 175.3424 118 S 5.4369 8.6720 118.2099 56.7279 66.0099 173.3295 119 R 4.6438 9.0003 116.9652 54.4040 32.4347 175.5230 120 E 4.9386 9.0049 118.6432 55.2887 30.5378 176.3125 121 D 4.5357 7.9546 118.0102 53.9138 40.4994 176.1610 122 L 4.6029 7.4132 120.3410 53.7097 44.1166 175.1431 123 D 5.3748 8.2345 120.3434 52.1101 44.7889 175.1658 124 M 4.1922 8.6127 119.9014 55.2890 32.4189 175.5687 125 P 4.4981 0.0000 0.0000 62.0013 32.5337 174.4755 126 P 4.5161 0.0000 0.0000 62.8633 31.0593 177.8891 127 D 4.5814 7.7182 118.1032 51.9066 43.4203 171.7992 128 P 4.2199 0.0000 0.0000 66.0634 31.1193 178.1099 129 A 3.9661 7.9363 120.0683 54.5313 18.3144 179.2458 130 L 3.8806 8.0946 118.3051 58.2059 42.2369 178.9759 131 A 3.9886 8.3516 121.1403 55.5207 18.2925 179.7477 132 T 3.8320 8.1911 114.4153 66.7200 68.4768 176.6149 133 Q 3.9792 8.2825 121.5332 59.2838 29.0163 178.4568 134 I 3.7268 7.9369 120.8221 64.3360 37.0936 178.4125 135 K 4.0074 8.1525 120.4156 59.4867 32.0296 178.7297 136 E 4.0114 8.7039 119.3345 59.5784 29.3036 179.3913 137 Q 4.0211 8.3533 118.1679 58.8665 28.7788 178.5126 138 F 4.1503 8.5698 121.8796 61.6121 39.2434 177.0022 139 D 4.4239 8.5108 117.6621 56.7975 40.6911 178.0618 140 S 4.3996 7.7816 112.9363 58.5710 63.3672 174.3537 141 G 3.6540 7.7388 110.5226 46.4023 0.0000 173.7514 142 K 4.3707 7.3685 117.6378 54.9295 34.0250 177.1477 143 D 4.5843 8.5823 122.6649 53.9143 41.7653 174.6381 144 V 4.4388 8.4072 126.6819 61.9034 33.3782 174.4139 145 L 5.3237 9.0916 128.1807 53.2725 44.4255 175.8085 146 V 4.8982 9.0212 115.5492 59.6193 35.4742 174.7217 147 V 4.6208 8.9190 125.4508 61.5181 33.2260 174.4309 148 V 4.8045 9.2226 129.2860 61.5154 33.3937 174.4906 149 V 4.9950 9.0892 128.2529 61.3008 34.3726 174.2691 150 S 5.5942 9.0263 122.7993 56.9117 66.2054 172.9486 151 A 4.8194 9.5580 123.9669 51.9262 23.0547 175.9823 152 M 3.2782 10.0495 118.9392 56.3416 29.7581 178.4053 153 G 3.9634 8.6500 105.6992 45.4107 0.0000 173.9955 154 T 4.4698 7.7379 116.6088 61.7496 71.0403 173.5118 155 E 5.1714 8.1716 123.2342 54.7155 32.9836 174.9082 156 Q 4.5774 8.9346 123.9198 54.4946 33.3074 173.5067 157 V 4.2663 8.5207 125.7406 63.4142 31.4775 175.3437 158 L 4.7805 9.0798 127.6659 55.1262 43.6678 176.2269 159 Q 4.6918 7.8835 118.5291 54.9343 32.7988 172.9718 160 T 5.3463 8.2445 116.8287 60.6632 71.0702 172.4983 161 K 4.5793 8.6006 122.7997 56.3305 36.2731 173.9271 162 N 5.3684 8.6604 118.1251 52.0064 40.1859 174.9915 163 A 4.4087 8.9159 124.2268 51.6780 19.4805 176.9427 164 A 4.6820 8.4173 124.8410 50.4569 21.8370 177.5703 165 E 4.1806 8.6411 114.3032 56.3294 29.7248 178.2260 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 19 K 8.16 4.63 0.00 1.97 1.51 0.00 1.50 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.76 7.81 20 T 8.78 4.92 4.14 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 1.17 0.00 0.00 21 Y 7.92 5.02 0.00 2.84 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 22 P 0.00 4.95 0.00 2.10 2.07 0.00 3.89 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 2.04 1.99 0.00 23 L 8.47 4.70 0.00 1.75 1.40 0.96 1.03 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 24 A 8.82 4.45 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 25 A 9.10 3.97 1.40 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 0.00 0.00 26 G 8.24 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 0.00 0.00 0.00 27 A 7.80 4.40 1.34 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 28 L 7.62 4.14 0.00 1.82 1.60 0.90 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 29 K 8.15 4.67 0.00 1.70 1.63 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.31 7.81 30 K 8.42 3.97 0.00 1.68 1.69 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.41 7.81 31 G 9.06 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.83 3.79 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 0.00 0.00 0.00 33 Y 8.25 5.14 0.00 2.86 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 34 V 8.73 4.43 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 0.78 0.00 0.00 0.89 0.00 0.00 35 C 8.85 5.20 0.00 2.90 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.16 4.47 1.87 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 1.29 0.77 0.91 0.00 0.00 37 N 10.01 4.25 0.00 2.84 2.88 0.00 0.00 7.19 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 38 G 8.52 3.96 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 0.00 0.00 0.00 39 R 7.89 4.62 0.00 1.99 2.05 0.00 3.33 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 40 P 0.00 4.94 0.00 2.01 2.19 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 41 C 9.32 5.40 0.00 2.95 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 42 K 8.74 4.82 0.00 1.66 1.56 0.00 1.52 0.00 0.00 1.38 0.00 0.00 2.23 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.19 1.13 7.81 43 V 8.90 4.12 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 0.95 0.00 0.00 0.90 0.00 0.00 44 I 8.82 4.35 1.85 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 1.28 0.80 0.88 0.00 0.00 45 D 7.80 4.88 0.00 2.55 2.52 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 46 L 8.39 5.29 0.00 1.45 1.49 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.97 4.71 0.00 3.85 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.19 5.05 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 0.95 0.00 0.00 0.93 0.00 0.00 49 S 9.03 4.49 0.00 3.90 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 50 K 8.69 3.98 0.00 1.80 1.65 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.02 7.81 51 T 7.98 4.74 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 *56 H 8.20 4.73 0.00 3.28 3.33 0.00 5.73 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.88 4.86 1.22 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 0.00 0.00 58 K 9.16 4.81 0.00 1.78 1.65 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.34 7.81 59 V 8.95 4.69 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 0.98 0.00 0.00 0.93 0.00 0.00 60 S 9.11 5.18 0.00 3.76 3.72 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 61 I 8.96 5.02 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 1.10 0.70 0.90 0.00 0.00 62 V 8.72 4.93 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 1.02 0.00 0.00 0.92 0.00 0.00 63 A 9.26 5.09 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.62 4.97 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 1.25 0.00 0.00 65 D 9.09 4.87 0.00 2.72 2.66 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 66 I 8.66 3.80 1.58 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.36 0.95 0.00 0.00 67 F 8.51 4.94 0.00 3.20 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 68 T 8.38 4.31 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 1.29 0.00 0.00 69 G 8.25 3.95 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 0.00 0.00 0.00 70 N 7.90 4.58 0.00 2.71 2.76 0.00 0.00 6.56 7.67 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 71 R 8.44 4.81 0.00 1.82 1.83 0.00 3.17 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 72 L 9.18 5.00 0.00 1.55 1.50 0.93 0.69 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 73 E 8.57 5.21 0.00 1.79 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 2.19 2.26 0.00 74 D 8.67 4.75 0.00 2.77 2.43 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 0.00 75 Q 8.39 5.13 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.50 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 76 A 8.88 4.61 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 77 P 0.00 4.79 0.00 2.09 1.99 0.00 3.56 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 2.08 0.00 78 S 9.20 4.16 0.00 3.98 4.14 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 79 T 7.63 4.21 4.17 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 0.00 0.00 0.00 0.89 0.00 0.00 80 H 8.14 4.40 0.00 3.29 3.40 0.00 5.77 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.28 5.08 0.00 2.53 2.67 0.00 0.00 7.04 7.68 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 82 V 8.55 3.99 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 0.75 0.00 0.00 0.89 0.00 0.00 83 E 8.50 4.77 0.00 1.84 1.73 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 2.28 2.24 0.00 84 V 8.13 4.46 0.67 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 0.82 0.00 0.00 0.67 0.00 0.00 85 P 0.00 4.75 0.00 2.00 1.96 0.00 3.71 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 1.74 1.90 0.00 86 F 8.75 4.54 0.00 3.05 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 87 V 8.57 4.56 1.73 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 0.61 0.00 0.00 0.12 0.00 0.00 88 K 9.10 4.88 0.00 1.75 1.73 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.55 7.81 89 T 8.45 5.25 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 1.27 0.00 0.00 90 Y 9.20 4.56 0.00 2.94 2.63 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 91 T 7.48 5.18 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 1.21 0.00 0.00 92 Y 9.20 5.23 0.00 2.97 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 93 S 8.92 5.23 0.00 4.14 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 94 V 8.65 4.46 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 0.39 0.00 0.00 0.97 0.00 0.00 95 L 8.98 4.50 0.00 1.65 1.77 0.96 1.00 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 96 D 7.31 4.51 0.00 2.70 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 0.00 0.00 0.00 0.00 97 I 8.10 4.91 1.65 0.00 0.00 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 0.95 -0.24 0.80 0.00 0.00 98 Q 8.93 4.64 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 99 A 8.75 4.30 1.21 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 0.00 100 N 8.55 4.34 0.00 2.73 2.92 0.00 0.00 7.03 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 0.00 101 E 8.88 3.89 0.00 2.00 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 2.34 2.28 0.00 102 D 8.96 4.69 0.00 2.60 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 0.00 103 P 0.00 4.29 0.00 2.21 2.18 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 104 S 8.07 4.34 0.00 4.03 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 0.00 105 L 7.49 4.68 0.00 1.74 1.58 0.91 0.88 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 0.00 106 P 0.00 4.23 0.00 1.99 2.06 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 107 A 8.26 4.15 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 108 H 8.99 5.19 0.00 3.01 3.15 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.64 4.98 0.00 1.61 1.43 0.90 0.42 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 0.00 110 S 8.62 4.94 0.00 3.85 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 0.00 111 L 8.78 5.29 0.00 1.22 1.29 0.51 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 112 M 9.27 5.12 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 113 D 9.11 5.14 0.00 2.87 2.91 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 0.00 114 D 8.80 4.76 0.00 2.81 2.80 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 0.00 115 E 8.79 4.50 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 2.28 2.27 0.00 116 G 8.09 3.95 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 0.00 0.00 0.00 117 E 8.22 4.84 0.00 2.10 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 2.32 2.23 0.00 118 S 8.67 5.44 0.00 4.02 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 0.00 119 R 9.00 4.64 0.00 1.85 1.94 0.00 2.55 0.00 0.00 2.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.27 0.00 120 E 9.00 4.94 0.00 1.86 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 2.15 2.22 0.00 121 D 7.95 4.54 0.00 2.72 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 0.00 122 L 7.41 4.60 0.00 1.47 1.51 0.72 0.97 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 0.00 123 D 8.23 5.37 0.00 2.53 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 M 8.61 4.19 0.00 1.85 1.98 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 125 P 0.00 4.50 0.00 2.21 2.26 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 126 P 0.00 4.52 0.00 2.22 2.17 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 127 D 7.72 4.58 0.00 2.70 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 0.00 128 P 0.00 4.22 0.00 2.30 2.31 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 129 A 7.94 3.97 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 0.00 130 L 8.09 3.88 0.00 1.79 1.86 0.95 1.32 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 0.00 131 A 8.35 3.99 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 0.00 132 T 8.19 3.83 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 1.23 0.00 0.00 133 Q 8.28 3.98 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 134 I 7.94 3.73 2.00 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 1.44 0.61 0.90 0.00 0.00 135 K 8.15 4.01 0.00 1.84 1.83 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.54 7.81 136 E 8.70 4.01 0.00 2.10 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 2.36 2.50 0.00 137 Q 8.35 4.02 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 138 F 8.57 4.15 0.00 3.19 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 0.00 139 D 8.51 4.42 0.00 2.71 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 0.00 140 S 7.78 4.40 0.00 4.04 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 0.00 141 G 7.74 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 K 7.37 4.37 0.00 1.77 1.76 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.69 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.72 7.81 143 D 8.58 4.58 0.00 2.83 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.41 4.44 2.27 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 1.04 0.00 0.00 1.15 0.00 0.00 145 L 9.09 5.32 0.00 1.72 1.59 0.93 0.72 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 0.00 146 V 9.02 4.90 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 0.74 0.00 0.00 1.05 0.00 0.00 147 V 8.92 4.62 2.15 0.00 0.00 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 0.97 0.00 0.00 148 V 9.22 4.80 2.49 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 1.09 0.00 0.00 1.11 0.00 0.00 149 V 9.09 4.99 2.27 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 1.01 0.00 0.00 1.02 0.00 0.00 150 S 9.03 5.59 0.00 3.85 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 0.00 151 A 9.56 4.82 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 0.00 152 M 10.05 3.28 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 153 G 8.65 3.96 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 0.00 0.00 0.00 154 T 7.74 4.47 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 0.11 0.00 0.00 155 E 8.17 5.17 0.00 1.71 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 2.22 2.24 0.00 156 Q 8.93 4.58 0.00 1.88 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 157 V 8.52 4.27 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 0.89 0.00 0.00 0.96 0.00 0.00 158 L 9.08 4.78 0.00 1.61 1.73 0.91 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 159 Q 7.88 4.69 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 160 T 8.24 5.35 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 1.24 0.00 0.00 161 K 8.60 4.58 0.00 1.88 1.86 0.00 1.36 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.42 7.81 162 N 8.66 5.37 0.00 2.64 2.80 0.00 0.00 6.92 7.35 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 0.00 163 A 8.92 4.41 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 0.00 164 A 8.42 4.68 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 0.00 165 E 8.64 4.18 0.00 2.00 1.74 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 2.23 1.88 0.00 * Residues marked with a * may have inaccurate shift predictions.