NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 5.0327 8.2833 118.3739 52.8326 39.4607 172.5796 3 I 5.0024 8.8365 124.4657 59.1557 39.8570 172.9176 4 N 5.5987 9.8834 125.5898 51.4994 42.4266 173.4194 5 I 4.9494 8.7044 123.2420 59.7039 40.3674 174.7419 6 V 4.7589 8.9767 129.1639 61.6629 32.6997 174.7138 7 T 5.2557 8.8486 118.1744 58.8536 72.4593 172.7345 8 I 4.3786 8.1961 123.6522 61.1013 38.3939 176.1205 9 G 3.9607 8.9125 113.4372 44.8691 0.0000 172.6135 10 K 4.6233 8.0041 118.1115 53.7126 34.0609 176.2086 11 L 3.9126 9.3736 126.5831 55.5609 41.9993 176.5874 12 K 4.0838 8.4100 126.2858 58.8066 33.0558 177.6032 13 E 3.7640 7.9255 117.6600 56.8439 30.1430 178.1498 14 K 3.9139 8.7020 124.0994 59.6536 32.2783 178.7756 15 Y 4.1928 7.9532 117.4668 60.2216 37.8415 178.4009 16 L 3.9048 6.6821 120.2642 57.1979 41.7421 178.9945 17 K 3.8915 7.7723 119.3977 59.6682 32.0695 178.6161 18 Q 4.2295 8.0571 117.6770 57.8964 28.4539 178.6975 19 G 3.5722 7.8894 107.2342 47.8354 0.0000 175.6795 20 I 3.8432 8.1136 123.5031 64.1361 37.2061 178.1320 21 E 3.8887 8.1750 119.8680 59.2834 29.1452 178.4679 22 E 3.7944 8.0035 118.5767 58.7864 29.8001 177.5884 23 Y 4.0586 7.3980 114.7544 59.8501 38.6275 178.0670 24 T 3.9204 8.2479 117.6109 66.3396 68.3104 176.8802 25 K 4.0046 7.8656 119.9406 59.8363 32.6987 179.0934 26 R 4.1398 7.6800 118.7061 58.6300 30.2726 178.3510 27 L 4.2805 8.3286 120.3452 57.9292 41.8266 179.0327 28 S 4.4877 8.1318 115.4335 60.5505 62.7453 175.7318 29 A 4.1256 7.6175 122.2384 53.9297 18.4495 178.2375 30 Y 4.3025 7.5146 113.9805 58.8102 38.8423 175.1272 31 A 4.3052 6.7305 119.7574 51.0549 21.9989 174.3144 32 K 4.3623 8.1284 121.1189 55.9887 33.6409 175.3530 33 I 5.1557 8.2893 126.5560 59.4194 40.9709 173.8823 34 D 4.9586 9.1998 128.2278 52.6007 44.9436 174.4013 35 I 4.8146 8.4671 123.3823 59.7742 39.1959 174.9212 36 I 4.3431 9.0776 128.9219 59.9552 38.7273 174.4864 37 E 4.9617 8.7778 127.0107 54.8724 31.0704 175.5254 38 L 4.8369 8.6707 124.1190 52.2723 44.9402 174.1052 39 P 4.7251 0.0000 0.0000 62.6626 31.9300 176.3193 40 D 4.9940 8.3996 123.6910 52.2707 43.5315 175.7294 41 E 4.3501 8.4631 118.9333 57.4482 29.1437 177.6445 *51 D 4.3252 8.8403 127.3511 55.0156 42.0054 175.4674 *53 K 4.3868 7.6298 112.4147 56.3618 33.7178 176.0608 54 I 4.4835 7.6514 116.3706 61.8342 40.8746 177.5496 55 I 3.9365 7.3225 119.4852 63.0315 37.6995 177.6841 56 K 4.0680 8.0216 120.3907 59.5794 32.1144 178.2440 57 D 4.4740 7.7589 118.0536 56.9486 40.4832 178.8027 58 K 4.0582 7.8629 118.0983 59.1139 32.3821 178.5437 59 E 4.2965 7.8749 117.8143 58.7769 29.6223 178.8319 60 G 4.2164 8.2362 107.6021 47.3466 0.0000 174.9223 61 D 4.5972 8.2017 119.8172 55.6553 40.8660 178.7719 62 R 3.9692 7.7560 119.1535 59.0630 30.2294 178.1268 63 I 3.9640 7.6152 119.3217 64.1929 37.5449 178.0656 64 L 4.0071 7.7922 119.5054 57.5151 41.1848 179.2333 65 S 4.4158 7.8542 112.1274 59.7258 63.1426 174.7971 66 K 4.4324 7.9771 120.7822 56.0649 32.7101 175.5495 67 I 4.3238 7.3328 121.2051 59.3240 38.0713 175.8941 68 S 4.3962 8.3921 120.5976 57.1506 63.8291 173.4057 69 P 4.2817 0.0000 0.0000 65.1703 31.1494 176.8070 70 D 4.8848 7.6574 115.1309 52.7699 39.6533 175.3569 71 A 4.7245 7.6374 121.5233 51.7314 20.4960 177.3686 72 H 4.4669 9.1196 123.1992 55.8827 31.2292 174.0049 73 V 4.6172 9.4268 126.8704 61.2827 33.6650 174.3123 74 I 4.7878 8.7255 128.7498 59.5685 39.7629 174.1984 75 A 4.9751 8.9610 130.4893 50.4318 20.8193 175.8938 76 L 5.0569 8.7246 123.5626 54.2883 42.2270 176.2955 77 A 4.8911 8.9662 125.5553 49.7719 22.6139 176.9201 78 I 3.6761 8.5535 113.0302 63.8754 37.8684 176.9324 79 E 4.3081 8.1389 116.4446 56.1579 29.4532 176.3263 80 G 3.9123 7.4918 107.2457 45.6317 0.0000 175.1477 81 K 4.5503 8.4831 126.0775 56.4147 34.1913 177.2404 *83 K 4.6446 8.5839 126.4705 57.4794 33.4397 175.9254 84 T 4.3141 8.9096 112.9196 60.7707 70.3764 176.1453 85 S 4.1746 8.5224 118.1248 61.7639 62.5970 177.0028 86 E 3.9455 8.0411 120.8918 59.3212 29.3388 178.9400 87 E 3.9029 8.3455 118.8063 59.4327 29.6853 179.1538 88 L 4.0198 8.1904 120.3455 58.1748 42.1202 178.9022 89 A 3.9598 7.8924 120.6027 54.7499 18.2798 179.1962 90 D 4.1862 8.2269 116.9825 57.7002 41.2714 178.2943 91 T 3.7968 8.2268 116.6455 67.0072 68.6617 176.4057 92 I 3.6066 7.5557 121.0672 64.5767 37.2231 178.0804 93 D 4.2842 7.9111 118.6624 56.9589 40.6509 178.2114 94 K 4.0740 8.5867 120.7674 59.3635 32.1241 178.8819 95 L 4.0178 8.2129 119.3805 57.5337 41.4654 179.2505 96 A 4.0006 7.9279 120.3822 55.5356 18.1337 179.4830 97 T 3.8009 7.4996 112.5500 66.9121 68.5619 175.3121 98 Y 4.4916 7.6151 115.4136 57.3478 38.4260 176.1409 99 G 3.9429 7.8556 106.4391 46.4361 0.0000 175.7680 100 K 4.3453 7.9584 123.2113 54.7696 30.3022 176.5824 101 S 4.3501 8.0575 115.2899 59.1530 64.0985 174.9525 102 K 4.8658 7.9529 121.8050 54.6966 34.4578 175.1814 103 V 4.7343 8.7036 124.7101 61.3473 34.7979 174.0925 104 T 5.2005 9.2470 124.6775 61.8766 71.4526 172.9889 105 F 5.1606 9.4153 125.6301 55.9558 41.7002 174.9459 106 V 4.8099 9.0086 123.0339 61.2271 34.0686 174.1575 107 I 4.6721 8.7466 129.5511 59.3128 39.0311 175.8120 108 G 3.7139 8.7543 114.8545 46.0479 0.0000 171.9495 109 G 4.1003 8.2095 108.1033 44.5147 0.0000 174.1681 110 S 4.1465 8.6384 112.9866 61.3842 63.0588 175.4219 111 L 4.0273 7.7592 118.7477 55.3020 41.8134 176.2344 112 G 3.8101 7.6024 103.8549 44.3311 0.0000 172.1735 113 L 4.6349 7.9199 118.0612 52.5011 43.2911 177.1313 114 S 4.3361 8.4149 117.2412 58.2408 63.5309 174.9398 115 D 4.3820 8.6833 121.5481 57.7482 41.1808 178.4853 116 T 4.0516 7.9265 109.0651 64.5742 69.3293 177.5932 117 V 4.0068 7.4234 122.2723 62.4152 30.6665 177.7856 *119 K 4.2619 8.1191 119.2807 55.9757 33.8590 177.5568 120 R 3.9496 7.7658 117.4252 58.4704 30.2603 176.8176 121 A 4.0027 7.6515 120.2801 53.0754 18.6374 176.9356 122 D 4.7185 8.5129 121.8967 55.8382 41.8644 176.4715 123 E 4.7499 7.6332 113.9351 55.3817 32.7798 174.3473 124 K 5.1146 8.4510 120.2424 54.6344 35.1591 174.7641 125 L 5.2118 9.1842 126.7764 53.2071 45.1574 174.7384 126 S 5.1677 8.5910 120.5187 56.7666 63.7209 173.9898 127 F 4.0865 9.2878 126.1664 59.8304 39.3189 175.3269 128 S 4.5222 7.3752 111.7787 57.8689 64.9651 175.4419 129 K 4.1280 8.2701 119.7063 56.3119 31.5064 178.1378 *131 T 3.9296 7.5868 113.9894 63.4438 69.7933 174.0092 132 F 5.3076 8.3178 124.9751 54.5952 41.5406 173.8663 133 P 4.4687 0.0000 0.0000 62.6945 31.8404 176.8378 134 H 4.1602 8.9785 116.8186 58.8896 28.4776 176.5201 135 Q 4.0651 7.7384 117.7093 58.9216 28.4993 179.1167 136 L 3.8886 7.4789 120.8198 54.6101 41.6905 178.7619 *138 R 4.0893 8.2197 117.7967 55.8121 31.7543 176.9699 139 L 3.9499 7.4332 118.8708 58.0145 41.9472 179.0624 140 I 3.5203 7.8530 120.1372 64.1860 37.0006 177.9386 141 L 3.7170 7.4551 120.6265 58.0758 41.6788 179.0004 142 V 3.4332 7.5358 117.9285 66.0419 31.5195 177.5800 143 E 3.1476 7.5464 118.8954 59.0507 29.2126 178.5123 144 Q 4.0951 8.0832 119.5849 59.2631 29.2344 178.4063 145 I 3.8042 7.9031 121.1316 64.2753 37.2421 177.6434 146 Y 4.1497 8.2249 120.8198 60.6976 38.5849 178.2205 147 R 3.5829 8.5083 119.6464 59.3774 30.2417 178.0560 148 A 3.9244 8.2016 120.7432 55.5467 18.2668 179.6851 149 F 3.8676 8.0689 115.5488 60.4447 38.8775 178.3121 150 R 3.8365 7.3451 117.3673 58.9114 29.4784 179.1663 151 I 3.7169 7.5609 119.1901 64.4783 37.2764 177.9265 152 N 4.5322 7.9927 117.3594 55.9856 38.0823 176.8641 153 R 4.5749 8.3149 117.4173 55.2331 30.3252 176.4742 154 G 4.0446 7.6824 106.3366 46.7425 0.0000 173.6489 155 E 4.6951 8.0647 117.8182 53.1567 31.6125 174.8904 156 P 4.3529 0.0000 0.0000 62.8420 32.0009 175.7985 157 Y 4.2762 8.3856 122.9295 58.5507 38.8538 172.8018 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 2 N 8.28 5.03 0.00 2.83 3.07 0.00 0.00 5.96 6.92 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 3 I 8.84 5.00 2.02 0.00 0.00 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 1.48 1.01 1.28 0.00 0.00 4 N 9.88 5.60 0.00 2.73 2.73 0.00 0.00 6.39 7.30 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 5 I 8.70 4.95 1.91 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 1.19 0.96 0.94 0.00 0.00 6 V 8.98 4.76 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 1.08 0.00 0.00 0.97 0.00 0.00 7 T 8.85 5.26 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 1.22 0.00 0.00 8 I 8.20 4.38 1.82 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 1.27 0.59 0.93 0.00 0.00 9 G 8.91 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 10 K 8.00 4.62 0.00 1.72 1.71 0.00 1.89 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.32 7.81 11 L 9.37 3.91 0.00 1.67 1.55 0.77 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.41 4.08 0.00 1.74 1.78 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.39 7.81 13 E 7.93 3.76 0.00 1.32 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 2.27 2.19 0.00 14 K 8.70 3.91 0.00 1.81 1.87 0.00 1.66 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.47 7.81 15 Y 7.95 4.19 0.00 3.14 3.20 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 16 L 6.68 3.90 0.00 1.49 1.57 0.73 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.77 3.89 0.00 1.93 1.84 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.44 7.81 18 Q 8.06 4.23 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 19 G 7.89 3.57 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 0.00 0.00 0.00 20 I 8.11 3.84 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.80 0.91 0.00 0.00 21 E 8.18 3.89 0.00 2.15 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 2.27 2.32 0.00 22 E 8.00 3.79 0.00 1.90 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 1.96 1.65 0.00 23 Y 7.40 4.06 0.00 3.15 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 24 T 8.25 3.92 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 1.20 0.00 0.00 25 K 7.87 4.00 0.00 1.87 1.89 0.00 1.53 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.38 7.81 26 R 7.68 4.14 0.00 1.34 1.94 0.00 2.67 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 27 L 8.33 4.28 0.00 2.00 1.68 0.95 0.60 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 28 S 8.13 4.49 0.00 4.09 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 29 A 7.62 4.13 1.06 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 0.00 0.00 30 Y 7.51 4.30 0.00 2.68 2.65 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 31 A 6.73 4.31 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 32 K 8.13 4.36 0.00 1.86 1.70 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.63 1.44 7.81 33 I 8.29 5.16 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 1.37 1.28 0.91 0.00 0.00 34 D 9.20 4.96 0.00 2.61 2.50 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 0.00 0.00 0.00 35 I 8.47 4.81 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 1.35 0.57 0.97 0.00 0.00 36 I 9.08 4.34 1.89 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 1.24 0.81 0.92 0.00 0.00 37 E 8.78 4.96 0.00 1.84 1.87 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 2.46 2.32 0.00 38 L 8.67 4.84 0.00 1.56 1.54 0.96 1.23 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 39 P 0.00 4.73 0.00 1.93 1.97 0.00 3.66 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 2.02 2.07 0.00 40 D 8.40 4.99 0.00 2.88 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 41 E 8.46 4.35 0.00 1.94 1.19 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 2.19 2.22 0.00 *51 D 8.84 4.33 0.00 2.73 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 K 7.63 4.39 0.00 1.74 1.84 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.47 7.81 54 I 7.65 4.48 2.05 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 1.10 0.91 0.00 0.00 55 I 7.32 3.94 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 1.41 1.35 0.91 0.00 0.00 56 K 8.02 4.07 0.00 1.86 1.78 0.00 1.77 0.00 0.00 1.96 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.66 7.81 57 D 7.76 4.47 0.00 3.02 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 58 K 7.86 4.06 0.00 1.85 1.87 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.47 7.81 59 E 7.87 4.30 0.00 2.18 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 2.30 2.54 0.00 60 G 8.24 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 0.00 0.00 0.00 0.00 61 D 8.20 4.60 0.00 2.85 2.71 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 0.00 0.00 0.00 0.00 62 R 7.76 3.97 0.00 2.04 2.05 0.00 3.30 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 63 I 7.62 3.96 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.75 0.92 0.00 0.00 64 L 7.79 4.01 0.00 1.82 1.72 0.98 1.02 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 65 S 7.85 4.42 0.00 4.05 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 0.00 66 K 7.98 4.43 0.00 1.73 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.52 7.81 67 I 7.33 4.32 2.00 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 1.36 0.76 0.90 0.00 0.00 68 S 8.39 4.40 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.06 2.18 0.00 3.64 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 2.04 2.09 0.00 70 D 7.66 4.88 0.00 2.78 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 71 A 7.64 4.72 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 72 H 9.12 4.47 0.00 3.18 3.13 0.00 5.56 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 9.43 4.62 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 0.95 0.00 0.00 0.93 0.00 0.00 74 I 8.73 4.79 1.31 0.00 0.00 0.53 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 0.40 0.99 0.00 0.00 75 A 8.96 4.98 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 76 L 8.72 5.06 0.00 1.79 1.80 1.29 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.97 4.89 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 78 I 8.55 3.68 1.86 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 1.48 0.64 0.90 0.00 0.00 79 E 8.14 4.31 0.00 2.09 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 2.26 2.24 0.00 80 G 7.49 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 81 K 8.48 4.55 0.00 1.77 1.57 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.45 7.81 *83 K 8.58 4.64 0.00 1.56 1.73 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.57 7.81 84 T 8.91 4.31 4.34 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 1.18 0.00 0.00 85 S 8.52 4.17 0.00 3.88 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 86 E 8.04 3.95 0.00 2.03 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 2.39 2.45 0.00 87 E 8.35 3.90 0.00 2.18 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 2.31 2.29 0.00 88 L 8.19 4.02 0.00 1.74 1.65 1.01 1.71 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 89 A 7.89 3.96 1.43 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 0.00 0.00 90 D 8.23 4.19 0.00 2.84 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 91 T 8.23 3.80 4.40 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 1.15 0.00 0.00 92 I 7.56 3.61 1.67 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 1.44 1.30 0.55 0.00 0.00 93 D 7.91 4.28 0.00 2.91 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 94 K 8.59 4.07 0.00 2.02 1.87 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.59 7.81 95 L 8.21 4.02 0.00 1.86 1.87 0.75 0.40 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 96 A 7.93 4.00 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 97 T 7.50 3.80 4.54 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 0.86 0.00 0.00 98 Y 7.62 4.49 0.00 2.93 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 99 G 7.86 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 0.00 100 K 7.96 4.35 0.00 1.74 1.82 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.36 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 101 S 8.06 4.35 0.00 4.07 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 0.00 102 K 7.95 4.87 0.00 1.74 1.78 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.43 7.81 103 V 8.70 4.73 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 0.74 0.00 0.00 0.95 0.00 0.00 104 T 9.25 5.20 4.23 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 1.32 0.00 0.00 105 F 9.42 5.16 0.00 2.98 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 0.00 106 V 9.01 4.81 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 1.01 0.00 0.00 0.96 0.00 0.00 107 I 8.75 4.67 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.72 0.93 0.00 0.00 108 G 8.75 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.21 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.64 4.15 0.00 4.01 4.04 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 0.00 111 L 7.76 4.03 0.00 1.64 1.76 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.60 3.81 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 0.00 0.00 0.00 113 L 7.92 4.63 0.00 1.65 1.60 0.95 0.87 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 0.00 114 S 8.41 4.34 0.00 4.00 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 0.00 115 D 8.68 4.38 0.00 2.69 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 0.00 116 T 7.93 4.05 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 0.00 117 V 7.42 4.01 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 0.95 0.00 0.00 0.96 0.00 0.00 *119 K 8.12 4.26 0.00 1.99 1.89 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.57 7.81 120 R 7.77 3.95 0.00 1.77 2.08 0.00 3.31 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 121 A 7.65 4.00 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 0.00 122 D 8.51 4.72 0.00 2.31 2.55 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 0.00 123 E 7.63 4.75 0.00 1.96 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 0.00 2.16 2.27 0.00 124 K 8.45 5.11 0.00 1.75 1.75 0.00 1.48 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 125 L 9.18 5.21 0.00 1.73 1.62 1.12 0.30 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 0.00 126 S 8.59 5.17 0.00 4.05 3.74 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 0.00 127 F 9.29 4.09 0.00 3.20 3.32 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 0.00 128 S 7.38 4.52 0.00 3.79 3.84 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 0.00 129 K 8.27 4.13 0.00 1.73 1.80 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.43 7.81 *131 T 7.59 3.93 4.23 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 1.21 0.00 0.00 132 F 8.32 5.31 0.00 3.00 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 0.00 133 P 0.00 4.47 0.00 2.16 2.19 0.00 3.84 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 134 H 8.98 4.16 0.00 3.25 3.53 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 0.00 135 Q 7.74 4.07 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.28 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 136 L 7.48 3.89 0.00 1.64 1.77 0.85 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 *138 R 8.22 4.09 0.00 1.87 2.07 0.00 3.20 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 139 L 7.43 3.95 0.00 1.65 1.75 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.85 3.52 1.54 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.68 0.75 0.00 0.00 141 L 7.46 3.72 0.00 1.29 1.55 0.40 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.54 3.43 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 1.05 0.00 0.00 0.93 0.00 0.00 143 E 7.55 3.15 0.00 1.16 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 1.47 2.10 0.00 144 Q 8.08 4.10 0.00 2.52 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 145 I 7.90 3.80 2.01 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.85 1.19 0.00 0.00 146 Y 8.22 4.15 0.00 2.90 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 0.00 147 R 8.51 3.58 0.00 2.15 2.25 0.00 3.23 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 148 A 8.20 3.92 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 0.00 149 F 8.07 3.87 0.00 2.79 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.35 3.84 0.00 1.63 1.70 0.00 2.21 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.57 0.00 151 I 7.56 3.72 1.99 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 1.54 0.62 0.89 0.00 0.00 152 N 7.99 4.53 0.00 2.62 2.79 0.00 0.00 7.08 7.76 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 0.00 153 R 8.31 4.57 0.00 1.98 2.14 0.00 3.68 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.30 0.00 154 G 7.68 4.04 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 0.00 0.00 0.00 155 E 8.06 4.70 0.00 2.09 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 0.00 2.32 2.53 0.00 156 P 0.00 4.35 0.00 2.10 2.04 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 157 Y 8.39 4.28 0.00 2.87 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 * Residues marked with a * may have inaccurate shift predictions.