NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 I 3.9253 8.0244 120.7822 60.7788 39.2924 174.4974 7 D 4.5097 8.7103 127.5117 51.6838 41.4068 175.1885 8 A 4.3053 9.3187 132.0021 54.6715 19.8316 177.6356 9 E 4.2019 8.6585 115.6870 58.0623 29.8653 177.8422 10 L 4.7487 7.9442 115.1810 54.0522 44.0796 176.3630 11 D 5.2172 8.5863 118.2831 52.3682 43.8926 175.2057 12 L 4.4828 8.0133 120.1198 52.4805 46.3589 175.0177 *14 L 4.4401 8.1613 120.3994 55.0716 43.3356 175.0065 15 K 5.2607 8.8181 126.7917 54.8720 34.7734 175.0710 16 R 4.8747 9.7114 124.9066 54.7278 35.2865 173.6271 17 E 5.0931 8.7901 120.0330 54.7510 32.4106 174.8191 18 L 4.8857 8.8955 124.8972 52.0748 44.3407 177.3533 19 A 4.5589 8.6410 129.0460 51.0417 17.7353 177.4890 20 V 4.5043 7.0299 120.0726 59.0798 35.6152 173.3027 21 P 4.4899 0.0000 0.0000 62.6714 33.1594 177.8874 22 V 3.8183 8.6407 121.2362 64.4505 31.2167 178.2608 23 N 4.5243 8.1414 117.2389 55.9067 37.1969 177.1591 24 L 4.0385 7.8809 120.8863 57.3887 41.8431 179.3171 25 V 3.5631 7.8134 118.2056 65.7558 31.3331 177.7927 26 W 4.2946 8.5632 128.1980 60.7287 30.5169 178.1682 27 R 3.9961 8.0961 117.7426 59.1672 29.2587 179.2825 28 G 3.6244 7.9354 104.7347 47.6255 0.0000 175.2829 29 L 4.6163 7.7269 119.9407 56.2330 41.9070 177.5836 30 T 4.0144 7.0961 106.4474 60.5562 70.4563 174.1391 31 E 4.4030 8.0621 123.5226 54.2049 30.8985 174.3595 32 P 4.1567 0.0000 0.0000 66.0558 31.2791 178.3426 33 E 3.9779 8.2333 115.0776 58.9613 29.4883 178.6681 34 L 4.4454 7.6520 118.0285 56.9033 42.4942 178.4739 35 L 3.6842 8.3997 119.5499 57.6735 41.4117 179.4263 36 K 4.1382 7.9817 115.7900 58.3257 32.4981 177.9416 37 K 4.5921 7.8255 119.0768 56.1128 32.4818 175.9065 38 W 5.2190 7.5886 114.2546 57.1102 33.4167 176.2299 39 F 2.6332 7.1002 121.2272 59.7835 38.7401 175.4568 40 V 4.1366 6.7492 112.1270 58.1573 34.2718 173.4469 41 P 4.5699 0.0000 0.0000 62.0552 31.8829 176.3973 42 K 4.7268 8.8908 122.5048 55.2232 32.4608 175.4378 43 P 4.5076 0.0000 0.0000 63.8335 31.3750 176.6742 44 W 4.5814 8.1787 120.2373 57.6179 30.3364 174.8593 45 S 4.6638 8.7333 115.6690 57.5991 66.3028 172.9834 46 I 4.6401 8.1913 120.3290 59.9395 38.1206 176.3733 47 S 4.4572 9.2018 123.8766 60.2751 63.6370 173.9297 48 D 4.5749 7.7268 116.6067 53.7811 44.4420 174.0995 49 C 4.9953 8.5323 123.5845 58.5468 34.6019 173.0108 50 R 4.8174 9.6237 125.6319 54.3823 33.2871 174.8076 51 V 4.8109 8.4716 122.4881 61.3278 34.7516 174.3208 52 D 4.6775 9.1275 128.2075 52.3201 42.2380 173.9424 53 L 3.7916 8.1958 127.9686 52.8714 40.2021 175.3812 54 R 4.4834 7.6014 117.2865 53.8298 31.9862 173.3712 55 P 4.6992 0.0000 0.0000 64.4063 31.7274 177.1781 56 G 2.9468 9.4533 112.4809 44.4812 0.0000 173.1680 57 G 4.5457 8.1544 107.8718 44.8430 0.0000 173.1793 58 E 4.6379 8.7772 123.7142 55.8578 31.4365 175.3346 59 F 5.2752 9.0885 128.6079 56.7263 41.4600 172.3355 60 Y 5.2759 9.2042 128.1633 55.8303 41.1357 174.4099 61 T 4.6881 8.0737 115.4112 60.0881 72.9420 172.6989 62 V 4.6250 8.2405 122.6789 60.8852 35.8776 173.6839 *64 Q 4.6742 8.3470 122.5482 55.9385 30.2632 174.6777 65 D 3.3700 8.2915 126.3145 50.5864 40.7328 175.5037 66 P 4.0900 0.0000 0.0000 65.2925 31.1500 177.2503 67 E 3.9760 7.8735 117.0145 57.3382 29.6664 177.4315 68 G 3.8968 8.0510 107.3999 44.8502 0.0000 173.5686 69 N 4.3256 8.5166 118.5324 52.6709 39.2229 174.1472 70 K 4.6589 7.9049 121.3962 54.5951 33.9978 176.2033 71 F 4.6381 8.4884 121.3567 54.6068 40.6056 172.6583 72 P 4.4681 0.0000 0.0000 62.7114 31.9456 175.4642 73 N 5.0693 9.4987 122.6866 51.2855 41.6360 173.4661 74 S 4.9525 8.7456 117.2361 56.6818 65.3872 172.8777 75 G 4.3868 9.1768 113.7235 44.6413 0.0000 170.1187 76 C 5.3240 8.9763 118.7538 57.4867 35.1492 173.5434 77 F 4.9615 9.1950 125.1542 57.8283 39.2791 175.9783 78 L 4.9271 9.6302 122.2217 55.6382 44.3403 176.7895 79 E 4.7630 8.2336 118.4853 54.7639 33.4108 174.4753 80 V 4.8727 8.6389 125.5753 61.6011 33.4790 173.9545 81 T 4.4302 9.2227 125.0177 61.1518 70.3007 173.3838 82 D 3.3700 8.4035 125.6170 55.4620 41.0687 177.4305 83 E 3.5618 5.9000 121.4719 56.8246 27.5746 174.5440 84 K 4.4480 6.9779 117.6778 57.3708 34.8538 175.7682 85 R 5.3280 8.4490 119.5120 54.7351 34.0977 172.8285 86 L 5.5741 9.4462 127.7841 53.5228 45.5973 174.9913 87 I 5.7445 9.4426 126.2391 58.2647 40.9322 174.4844 88 W 5.8032 8.2885 122.4177 55.2151 32.1427 173.7079 89 T 5.1412 9.2427 114.9302 60.6598 70.4989 174.2880 90 S 4.7443 8.8454 119.0897 58.2173 64.0002 175.4553 91 A 4.2132 8.1505 124.9680 53.8648 18.5590 177.3018 92 L 5.3285 7.7059 114.6400 53.0831 45.9830 176.2600 93 V 4.9706 8.4931 114.5061 59.3039 34.5006 174.8259 94 K 3.7786 8.5851 120.1734 59.2517 32.1610 177.1662 95 N 4.1172 9.3741 121.1412 54.4981 36.5015 174.3061 96 Y 3.8589 7.6294 112.1554 58.7915 36.1226 169.5974 97 R 4.2168 7.7062 121.3411 55.5124 31.2258 174.2340 98 P 4.7244 0.0000 0.0000 62.7215 31.9231 176.1876 99 A 4.3089 8.6493 125.6900 51.6447 19.4035 177.7707 100 V 3.7370 8.2493 113.8905 60.2755 32.1478 174.6894 101 P 4.2539 0.0000 0.0000 62.3755 31.8287 176.0107 *113 V 4.0027 7.9534 121.4151 62.7896 32.3845 174.4438 *115 T 4.0976 8.2221 119.8606 63.3746 69.6168 173.0446 116 A 4.7662 8.3103 128.5177 50.0788 21.4669 175.5383 117 V 4.5158 8.6672 122.5094 61.0403 34.4331 174.2108 118 I 4.8215 8.9862 129.2941 59.5788 39.8842 174.4010 119 E 5.1875 9.1472 126.9360 54.4641 32.4804 175.1175 120 L 5.4301 9.0049 123.6899 53.1555 45.1777 176.0678 121 Q 4.5638 8.7462 123.1018 53.8719 32.3757 172.2949 122 P 4.9700 0.0000 0.0000 63.1460 31.3417 175.4197 123 T 4.7612 8.7615 111.8625 59.4348 71.7991 174.8277 124 S 4.3250 8.6892 115.2316 60.3897 63.0634 174.9221 125 S 4.7719 7.2239 110.6922 57.4804 65.3313 174.3945 126 G 4.2169 7.0746 113.7207 46.4317 0.0000 175.5920 127 T 5.0698 8.7898 122.3332 61.4258 72.9142 171.3656 128 R 4.9396 9.4179 126.8422 54.8577 31.8153 174.1034 129 Y 5.1180 9.4108 128.4026 56.2151 41.2582 174.2604 130 T 5.0856 8.3548 122.5905 61.6234 72.0915 172.6731 131 A 5.1658 9.2786 128.4433 50.1519 21.7555 174.7328 132 C 4.9414 9.2001 122.4068 57.5938 35.0462 173.2080 133 A 4.7348 8.5773 127.9773 50.4078 22.0218 174.8536 *135 H 4.6381 8.4807 114.6233 55.9019 29.7260 173.5430 136 N 4.6170 8.5922 117.4093 54.8828 38.1211 175.7056 137 T 4.7024 7.3671 107.9102 58.5464 73.2075 172.6848 138 P 4.8255 0.0000 0.0000 65.1828 31.3264 179.2242 139 G 3.6768 8.0107 104.1614 47.9150 0.0000 175.6448 140 Q 3.9695 7.8086 120.0651 58.4633 28.8323 178.6259 141 R 3.2817 7.7489 119.8289 59.1139 30.1687 178.4647 142 K 3.8387 8.3238 119.8377 59.3872 31.9398 178.3950 143 L 4.1876 7.7173 120.9403 57.9378 42.1383 178.1488 144 H 4.3657 8.2701 118.1440 59.1944 29.4980 177.1400 145 E 4.0149 7.6968 119.4551 59.0619 30.4930 179.1963 146 E 4.3744 8.2756 119.7372 55.7112 28.0636 177.6895 *148 G 3.7663 7.8416 101.8799 45.2636 0.0000 175.1399 149 F 3.9669 8.0707 122.7196 61.2000 39.5144 175.1032 150 H 3.8379 8.4138 117.1457 59.2889 29.6329 176.6228 151 E 4.0319 8.2402 120.4449 59.2236 29.6155 178.5201 152 G 3.5819 8.4337 106.0744 47.8870 0.0000 175.6030 153 W 3.9741 8.7034 122.6973 58.8954 28.9089 178.8951 154 G 3.6017 8.1588 105.7251 48.1903 0.0000 175.9154 155 T 3.9380 8.1747 118.5804 66.4498 68.3869 176.9662 156 T 3.9948 7.8829 111.8787 64.9415 68.7427 176.7370 157 I 3.3956 7.7299 122.5520 64.2185 37.0138 178.5559 158 T 3.8332 7.6965 116.3942 66.6961 68.2736 176.8239 159 Q 4.0447 8.2619 120.0475 58.5747 28.6830 178.5499 160 L 3.4248 7.8457 121.5316 57.9946 42.1105 178.5961 161 E 3.7797 7.9448 119.2115 59.2371 29.1685 178.3824 162 E 3.9131 8.1144 119.3704 58.9900 29.6725 178.6104 163 L 3.9945 7.9697 120.3413 58.3140 42.2964 179.0445 164 L 4.0329 7.9350 118.8391 57.6384 41.2294 179.7390 165 K 4.0269 7.7134 117.4864 59.2641 32.0699 178.8439 166 Q 4.2466 7.6664 115.5235 57.2050 29.3141 176.7543 167 E 4.4496 8.0239 118.9021 55.5533 29.7916 177.0257 168 K 3.8754 7.6643 119.0408 60.4361 32.4573 177.4355 169 A 4.1322 8.2162 119.4150 55.3750 18.4781 176.4957 170 Y 4.1780 7.5032 118.3309 57.9688 38.7561 175.4653 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 6 I 8.02 3.93 1.85 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 1.31 0.89 0.00 0.00 7 D 8.71 4.51 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 9.32 4.31 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 9 E 8.66 4.20 0.00 2.20 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 0.00 2.28 2.39 0.00 10 L 7.94 4.75 0.00 1.44 1.81 0.90 0.96 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 11 D 8.59 5.22 0.00 2.46 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 12 L 8.01 4.48 0.00 0.27 0.47 -0.04 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 *14 L 8.16 4.44 0.00 1.90 1.80 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.82 5.26 0.00 1.81 1.69 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.48 7.81 16 R 9.71 4.87 0.00 1.76 1.75 0.00 3.32 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 17 E 8.79 5.09 0.00 1.87 1.85 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 2.32 2.26 0.00 18 L 8.90 4.89 0.00 1.59 1.50 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.64 4.56 1.24 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 20 V 7.03 4.50 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 0.86 0.00 0.00 0.90 0.00 0.00 21 P 0.00 4.49 0.00 2.58 2.17 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 22 V 8.64 3.82 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 0.87 0.00 0.00 1.02 0.00 0.00 23 N 8.14 4.52 0.00 2.98 3.14 0.00 0.00 6.30 6.67 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 24 L 7.88 4.04 0.00 1.88 1.76 0.93 0.87 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 25 V 7.81 3.56 2.32 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 1.10 0.00 0.00 1.00 0.00 0.00 26 W 8.56 4.29 0.00 3.55 3.28 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 0.00 27 R 8.10 4.00 0.00 2.09 2.09 0.00 3.24 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.00 0.00 28 G 7.94 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 0.00 0.00 0.00 29 L 7.73 4.62 0.00 1.57 1.69 1.20 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.10 4.01 3.78 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 -0.03 0.00 0.00 31 E 8.06 4.40 0.00 2.10 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 2.21 2.39 0.00 32 P 0.00 4.16 0.00 2.13 2.28 0.00 3.57 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 33 E 8.23 3.98 0.00 1.95 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 0.00 2.33 2.38 0.00 34 L 7.65 4.45 0.00 1.94 1.87 1.03 0.74 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 35 L 8.40 3.68 0.00 1.61 1.32 0.60 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.98 4.14 0.00 1.87 1.88 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.71 1.48 7.81 37 K 7.83 4.59 0.00 2.00 1.95 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.45 7.81 38 W 7.59 5.22 0.00 3.57 3.26 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 39 F 7.10 2.63 0.00 2.14 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 40 V 6.75 4.14 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 0.69 0.00 0.00 1.04 0.00 0.00 41 P 0.00 4.57 0.00 2.13 2.06 0.00 3.33 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 42 K 8.89 4.73 0.00 1.83 1.86 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.59 7.81 43 P 0.00 4.51 0.00 2.19 2.21 0.00 3.97 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 44 W 8.18 4.58 0.00 3.46 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 45 S 8.73 4.66 0.00 3.85 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 0.00 46 I 8.19 4.64 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.90 0.00 0.00 47 S 9.20 4.46 0.00 3.68 3.89 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 48 D 7.73 4.57 0.00 2.73 2.45 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 0.00 49 C 8.53 5.00 0.00 2.86 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 R 9.62 4.82 0.00 1.89 1.85 0.00 3.33 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 51 V 8.47 4.81 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 0.68 0.00 0.00 0.85 0.00 0.00 52 D 9.13 4.68 0.00 2.83 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 53 L 8.20 3.79 0.00 1.38 1.41 -0.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.60 4.48 0.00 1.99 1.95 0.00 3.04 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 55 P 0.00 4.70 0.00 2.23 2.27 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 56 G 9.45 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 0.00 0.00 0.00 57 G 8.15 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.78 4.64 0.00 2.08 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 2.46 2.35 0.00 59 F 9.09 5.28 0.00 1.81 2.34 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 60 Y 9.20 5.28 0.00 3.02 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 61 T 8.07 4.69 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 0.55 0.00 0.00 62 V 8.24 4.62 2.06 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 0.85 0.00 0.00 0.71 0.00 0.00 *64 Q 8.35 4.67 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.65 0.00 0.00 0.00 0.00 0.00 2.18 2.39 0.00 65 D 8.29 3.37 0.00 1.81 1.54 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 66 P 0.00 4.09 0.00 2.12 2.13 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.95 0.00 67 E 7.87 3.98 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 2.24 0.00 68 G 8.05 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.52 4.33 0.00 3.06 2.20 0.00 0.00 6.83 8.15 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 70 K 7.90 4.66 0.00 1.55 1.61 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.31 7.81 71 F 8.49 4.64 0.00 3.01 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 72 P 0.00 4.47 0.00 2.21 2.14 0.00 3.74 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 2.05 2.04 0.00 73 N 9.50 5.07 0.00 2.37 2.62 0.00 0.00 6.00 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 74 S 8.75 4.95 0.00 3.96 3.75 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 75 G 9.18 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.98 5.32 0.00 3.05 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 77 F 9.20 4.96 0.00 3.30 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 78 L 9.63 4.93 0.00 1.62 1.84 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.23 4.76 0.00 2.10 1.85 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 2.38 2.39 0.00 80 V 8.64 4.87 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 1.09 0.00 0.00 0.87 0.00 0.00 81 T 9.22 4.43 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 1.14 0.00 0.00 82 D 8.40 3.37 0.00 2.41 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 0.00 0.00 0.00 0.00 83 E 5.90 3.56 0.00 1.74 1.82 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 2.02 1.61 0.00 84 K 6.98 4.45 0.00 1.81 1.69 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.38 7.81 85 R 8.45 5.33 0.00 1.92 1.88 0.00 3.56 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 86 L 9.45 5.57 0.00 2.05 1.81 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 87 I 9.44 5.74 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.73 1.01 0.00 0.00 88 W 8.29 5.80 0.00 3.35 3.29 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 89 T 9.24 5.14 4.32 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 1.34 0.00 0.00 90 S 8.85 4.74 0.00 4.09 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 0.00 91 A 8.15 4.21 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 92 L 7.71 5.33 0.00 1.79 1.64 1.11 1.01 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 93 V 8.49 4.97 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 0.98 0.00 0.00 0.99 0.00 0.00 94 K 8.59 3.78 0.00 1.77 1.70 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.48 7.81 95 N 9.37 4.12 0.00 2.91 2.91 0.00 0.00 7.06 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 96 Y 7.63 3.86 0.00 3.19 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 97 R 7.71 4.22 0.00 1.89 1.84 0.00 3.12 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 98 P 0.00 4.72 0.00 2.01 2.01 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 99 A 8.65 4.31 1.28 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 0.00 0.00 0.00 100 V 8.25 3.74 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 0.78 0.00 0.00 0.96 0.00 0.00 101 P 0.00 4.25 0.00 2.19 2.08 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 *113 V 7.95 4.00 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 1.10 0.00 0.00 0.95 0.00 0.00 *115 T 8.22 4.10 4.19 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 1.22 0.00 0.00 116 A 8.31 4.77 0.48 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 0.00 117 V 8.67 4.52 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 1.04 0.00 0.00 0.88 0.00 0.00 118 I 8.99 4.82 2.10 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.39 0.96 0.00 0.00 119 E 9.15 5.19 0.00 1.81 1.80 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 2.22 2.23 0.00 120 L 9.00 5.43 0.00 1.53 1.64 1.30 0.99 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 0.00 121 Q 8.75 4.56 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 122 P 0.00 4.97 0.00 2.12 2.04 0.00 3.75 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 1.98 1.95 0.00 123 T 8.76 4.76 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 1.28 0.00 0.00 124 S 8.69 4.32 0.00 4.00 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 0.00 125 S 7.22 4.77 0.00 3.94 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 0.00 126 G 7.07 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 0.00 0.00 0.00 0.00 127 T 8.79 5.07 4.30 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 1.33 0.00 0.00 128 R 9.42 4.94 0.00 1.89 1.93 0.00 3.12 0.00 0.00 3.22 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 129 Y 9.41 5.12 0.00 3.04 2.92 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 0.00 130 T 8.35 5.09 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 1.19 0.00 0.00 131 A 9.28 5.17 1.63 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 0.00 132 C 9.20 4.94 0.00 2.92 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 0.00 133 A 8.58 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *135 H 8.48 4.64 0.00 3.20 3.27 0.00 5.89 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 N 8.59 4.62 0.00 2.82 2.94 0.00 0.00 5.80 7.71 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 0.00 137 T 7.37 4.70 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 1.20 0.00 0.00 138 P 0.00 4.83 0.00 2.15 2.10 0.00 3.85 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 2.09 1.98 0.00 139 G 8.01 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 0.00 0.00 0.00 140 Q 7.81 3.97 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 141 R 7.75 3.28 0.00 1.74 1.95 0.00 2.97 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.52 0.00 142 K 8.32 3.84 0.00 1.89 1.90 0.00 1.54 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.46 7.81 143 L 7.72 4.19 0.00 1.75 1.84 0.91 0.86 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 0.00 144 H 8.27 4.37 0.00 3.23 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 7.70 4.01 0.00 2.20 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 2.26 2.38 0.00 146 E 8.28 4.37 0.00 2.14 1.94 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 2.32 2.61 0.00 *148 G 7.84 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 0.00 149 F 8.07 3.97 0.00 2.79 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 0.00 150 H 8.41 3.84 0.00 3.36 3.33 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.24 4.03 0.00 2.11 1.94 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 2.37 2.39 0.00 152 G 8.43 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 W 8.70 3.97 0.00 2.74 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 0.00 154 G 8.16 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 0.00 155 T 8.17 3.94 4.35 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 1.23 0.00 0.00 156 T 7.88 3.99 4.46 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 0.99 0.00 0.00 157 I 7.73 3.40 1.85 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.82 0.50 0.00 0.00 158 T 7.70 3.83 4.38 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 1.19 0.00 0.00 159 Q 8.26 4.04 0.00 2.43 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 160 L 7.85 3.42 0.00 0.49 1.26 -0.24 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 161 E 7.94 3.78 0.00 1.95 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 2.25 2.25 0.00 162 E 8.11 3.91 0.00 2.14 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 2.30 2.31 0.00 163 L 7.97 3.99 0.00 1.92 1.83 0.97 0.64 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 0.00 164 L 7.94 4.03 0.00 1.66 1.66 0.79 0.54 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 0.00 165 K 7.71 4.03 0.00 1.87 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.64 7.81 166 Q 7.67 4.25 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 167 E 8.02 4.45 0.00 2.17 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 2.30 2.46 0.00 168 K 7.66 3.88 0.00 2.03 1.94 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.43 7.81 169 A 8.22 4.13 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 0.00 170 Y 7.50 4.18 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.