NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8897 8.1676 115.8901 57.2951 40.0344 177.1376 11 H 3.9920 5.6985 117.7387 56.3017 28.8692 174.0509 12 E 4.2743 8.1485 121.4513 58.6455 30.5663 178.5202 13 M 4.5472 7.2519 116.3207 55.4571 31.7404 177.0234 14 R 4.5094 7.5130 117.6591 55.4200 32.8695 175.5612 15 E 4.0380 7.8687 117.8736 55.1049 29.9308 174.7842 16 P 4.6420 0.0000 0.0000 63.1539 32.4491 175.1346 17 R 4.5090 7.8057 115.3352 55.2020 33.2722 174.1232 18 I 4.1960 8.2884 121.3944 61.2024 37.1473 175.6947 19 E 4.2022 9.3682 130.1616 58.3106 29.8532 176.7940 20 K 4.6505 7.5173 115.7250 55.9737 35.8770 174.0807 21 V 4.6000 8.5947 122.4097 61.4058 34.0721 174.6869 22 V 5.1024 8.2627 129.7821 60.8922 32.8468 174.8091 23 V 4.5282 7.9209 122.3618 60.3882 33.1796 174.8873 24 H 5.2684 8.9414 124.4765 54.8359 33.9086 172.1552 25 M 4.5193 8.5605 122.7812 53.5132 34.5894 174.7503 26 G 3.7752 8.1996 112.2049 46.8041 0.0000 172.0931 27 I 3.7450 8.5363 130.3212 61.4685 36.7509 177.1302 28 G 4.9607 5.3800 127.0700 47.2280 0.0000 172.7022 29 H 4.3742 7.3450 112.7131 56.1132 31.7423 174.5427 *35 A 4.2285 7.7386 123.5062 52.3741 19.6127 177.2240 36 N 4.5577 8.7979 118.2402 52.8125 39.0049 176.6826 37 A 4.2777 7.8570 121.6716 53.4490 19.5473 179.0995 38 E 4.0370 7.8989 115.3546 59.2659 29.2518 178.9034 39 D 4.3991 8.0933 118.8577 57.2525 40.8621 178.7735 40 I 3.7544 7.3909 112.7660 64.0746 37.6579 178.3168 41 L 4.0607 7.9472 120.7562 57.2424 41.4947 179.5028 42 G 3.6165 7.9926 105.4012 47.9890 0.0000 175.6258 43 E 4.0564 7.7653 120.1416 58.9192 29.5956 178.8194 44 I 4.0133 7.9352 118.3090 63.3939 38.1342 177.4732 45 T 4.2730 8.0442 110.0265 65.1581 69.3825 174.6777 46 G 3.9479 7.3833 112.7340 45.5572 0.0000 174.0151 47 Q 4.3455 7.0697 118.2784 54.9779 30.9702 173.8932 48 M 4.3735 8.2974 117.1383 54.0111 33.4579 174.8105 49 P 4.8629 0.0000 0.0000 62.2765 33.6439 175.2175 50 V 4.5634 8.3154 111.7666 59.3757 35.8319 176.1368 51 R 4.5634 8.6167 122.6957 56.7246 30.9667 176.0308 52 T 4.5821 8.6105 116.0619 62.2257 72.4385 174.4274 53 K 5.0409 8.9242 125.3280 54.2248 35.0617 174.3228 54 A 4.8369 7.9333 121.8059 50.7746 22.5741 175.3937 55 K 4.5752 8.0165 116.6067 55.6629 36.3889 172.9102 56 R 3.9407 8.7710 129.0283 55.6954 30.0916 176.6361 57 T 4.2114 8.5179 119.8035 63.5078 69.2445 173.9380 58 V 4.4836 8.2772 125.8300 60.6019 34.0433 176.7117 59 G 3.7984 8.6800 114.2244 47.8066 0.0000 173.3448 60 E 4.2650 8.0027 118.7516 56.8713 30.2189 176.3664 61 F 4.2278 8.1963 116.4236 61.0594 38.4427 175.4343 62 D 4.7675 8.1299 120.9962 52.8807 41.5147 177.3060 63 I 3.8440 7.3895 113.0361 62.4844 38.9527 176.9391 64 R 4.0981 7.6260 121.4502 54.8810 29.2136 174.8596 65 E 3.7935 8.2640 128.3093 58.8236 30.1794 176.3093 66 G 4.2116 7.6514 117.7742 45.7235 0.0000 171.1801 67 D 4.8098 8.1959 124.5603 50.8578 42.7904 173.1498 68 P 4.5887 0.0000 0.0000 63.9762 31.4827 175.7357 69 I 4.3631 9.2068 123.6385 62.7508 40.7232 174.7808 70 G 4.1787 7.8330 107.3924 46.4170 0.0000 171.1993 71 A 5.1166 8.7156 121.0669 52.1726 23.2429 175.4212 72 K 4.9365 8.7079 117.2806 56.4439 36.8377 175.1304 73 V 4.6600 8.5548 120.3056 61.6419 35.0284 173.4275 74 T 4.7854 8.5468 118.6066 60.3700 70.0161 173.7769 75 L 4.6805 8.6307 127.5920 53.1468 43.7253 176.1098 76 R 4.8140 7.9665 120.8495 54.4211 34.2656 176.5337 77 D 4.3333 8.9461 120.6702 55.8318 39.4416 176.3030 78 E 3.9441 8.9842 125.2844 61.0277 28.1960 178.1690 79 M 4.1152 8.2895 117.8592 58.4913 31.8032 178.7486 80 A 4.1450 7.8944 120.1440 55.0223 18.9085 179.3106 81 E 3.9383 7.9556 116.8804 59.7832 29.4478 179.5161 82 E 3.9759 8.4536 117.1008 58.7109 29.5563 178.7673 83 F 4.4247 7.6031 121.1939 60.7780 39.7214 177.5595 84 L 4.0361 8.2748 118.6667 57.8858 41.1354 179.5292 85 Q 3.9143 8.1641 117.7837 57.9009 28.6406 177.2855 86 T 4.5224 7.3400 108.7385 61.1568 69.5824 175.0257 87 A 4.3145 7.5707 123.8830 54.6026 21.9527 179.2489 88 L 3.7335 8.2292 115.9649 57.5562 41.7228 177.5778 89 P 4.3332 0.0000 0.0000 63.3165 30.7069 176.5390 90 L 4.6250 7.5838 116.5411 54.2924 42.9268 176.3285 91 A 4.5689 7.7490 121.2164 50.2709 21.9245 176.1478 92 E 4.2732 8.6009 122.0738 54.7915 28.7672 176.3407 93 L 4.1882 8.1976 123.9137 54.5503 42.3419 176.8157 94 A 4.7852 8.2486 124.9630 50.6363 20.8143 176.2383 95 T 4.2292 8.5149 113.4719 66.7674 69.0853 177.9390 96 S 4.4428 8.1453 115.4971 61.4410 61.7446 176.5263 97 Q 4.4792 7.8512 116.6003 55.9105 27.6606 175.2130 98 F 5.1595 8.5513 116.9298 55.3439 42.2378 174.9567 99 D 4.6022 10.0064 125.5650 54.0812 41.6551 176.9795 100 D 4.5428 8.6881 124.4964 57.5186 41.1890 178.2019 101 T 4.0413 8.0347 115.7632 66.7732 68.5496 174.3361 102 G 3.6334 6.9784 109.0673 45.2979 0.0000 172.6767 103 N 5.5182 8.3134 117.7368 51.3087 42.6657 173.2366 104 F 4.7240 8.2514 112.9393 55.6683 41.5236 173.2186 105 S 5.0786 8.1658 114.8618 56.5077 64.7866 172.8622 106 F 4.9511 8.8457 120.8991 54.9363 41.6655 172.9218 107 G 3.9667 9.1628 102.9685 44.0204 0.0000 176.0384 *128 L 4.1249 8.3182 125.8888 55.1042 42.5161 176.0623 129 D 4.6716 8.7532 126.0088 53.4831 43.1908 176.2252 130 V 4.2527 8.0352 120.6926 61.8843 34.7065 173.8322 131 T 4.7360 8.3434 125.0322 61.5227 71.1620 173.6911 132 V 4.5131 7.6737 125.5620 61.0756 34.0089 173.7256 133 N 4.9941 9.1052 128.5098 52.5727 39.9652 173.6785 134 L 5.2928 8.1166 125.9934 53.2704 44.6847 175.9254 135 V 4.1312 7.6996 118.9532 61.1449 34.8451 172.6728 136 R 4.2876 8.1786 120.3534 54.9452 30.7558 176.1381 137 P 4.2100 0.0000 0.0000 65.1325 31.3618 177.1319 138 G 4.2390 7.7475 107.9146 45.1628 0.0000 175.0444 139 Y 4.0936 8.1259 122.0752 60.2324 39.1045 175.6435 140 R 3.8697 8.2659 119.3874 59.7136 29.8863 178.0353 141 V 3.4887 7.3726 117.3067 65.5239 31.2163 176.9891 142 A 4.6834 7.8843 119.3310 51.6186 19.2200 177.5671 143 K 4.1357 7.3887 115.3579 56.8169 33.7130 176.8241 144 R 4.1548 7.7185 114.8886 56.1265 30.0986 176.4802 145 D 4.4845 8.4273 117.1093 56.6579 41.3600 177.6710 146 K 3.9900 7.9250 117.2118 57.4285 32.5419 176.8641 147 A 3.7928 8.7254 126.9625 52.7759 16.2652 176.9525 148 S 4.5687 7.8514 112.7054 60.2039 64.2496 173.6702 149 R 4.6511 8.5416 119.8620 55.0940 33.7134 174.0098 150 S 4.5494 8.5507 119.5509 57.6536 63.5384 173.7840 151 I 3.8935 8.2654 127.0873 60.4689 37.7786 175.0739 152 P 4.4385 0.0000 0.0000 62.5874 32.9969 177.3694 153 T 3.9275 8.5763 111.7910 65.2787 68.4422 176.3343 154 K 4.1107 7.9711 119.7298 59.4612 32.3006 178.0937 155 H 4.3815 8.1266 115.5871 56.7370 30.4436 175.4565 156 R 4.0766 7.2002 119.8227 55.9141 30.4530 176.2908 157 L 4.1754 8.2989 123.7410 55.2072 42.9951 175.9011 158 N 5.1756 8.1516 117.6283 50.0340 43.3691 173.8576 159 P 4.2265 0.0000 0.0000 65.7481 31.4565 178.8716 160 A 3.8408 7.8414 118.7990 55.4598 18.3294 179.3938 161 D 4.3716 8.0809 116.2862 56.9668 40.8174 178.8954 162 A 4.0871 8.0655 121.9276 55.0619 18.4458 179.4333 163 V 3.1554 7.5758 116.5262 66.1729 31.4899 177.6010 164 A 4.2314 7.7862 120.0870 55.4338 17.9373 179.0377 165 F 4.0427 7.7571 117.4330 61.6766 39.5192 177.3411 166 I 3.7341 7.7079 117.5482 64.4525 37.3142 177.7608 167 E 4.0554 8.9907 121.3058 59.1293 29.0588 178.1618 168 S 4.5325 8.0942 110.6162 57.9455 63.3629 174.9690 169 T 4.6390 7.5239 117.6067 62.6599 69.8078 172.9402 170 Y 3.5205 9.0347 118.9234 57.6665 35.4225 168.4806 171 D 4.3006 7.4424 117.9820 53.4901 41.4854 174.5644 172 V 4.1830 8.1918 119.4040 61.4679 33.5069 173.5853 173 E 4.6673 8.1582 119.7526 55.6965 31.9824 176.1729 174 V 3.8975 8.2992 117.1855 62.7629 32.5901 173.2033 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 10 F 8.17 4.89 0.00 3.35 3.36 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 11 H 5.70 3.99 0.00 3.03 2.42 0.00 5.46 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 12 E 8.15 4.27 0.00 1.70 1.77 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 2.30 2.20 0.00 13 M 7.25 4.55 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 14 R 7.51 4.51 0.00 1.86 1.87 0.00 3.25 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 15 E 7.87 4.04 0.00 2.15 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 2.35 2.27 0.00 16 P 0.00 4.64 0.00 0.58 1.50 0.00 3.63 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 1.87 1.92 0.00 17 R 7.81 4.51 0.00 1.82 1.92 0.00 2.76 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 18 I 8.29 4.20 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.79 0.97 0.00 0.00 19 E 9.37 4.20 0.00 1.93 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 2.20 2.04 0.00 20 K 7.52 4.65 0.00 1.78 1.82 0.00 1.47 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.34 7.81 21 V 8.59 4.60 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 0.99 0.00 0.00 22 V 8.26 5.10 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 0.96 0.00 0.00 0.85 0.00 0.00 23 V 7.92 4.53 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 0.25 0.00 0.00 0.69 0.00 0.00 24 H 8.94 5.27 0.00 3.16 2.97 0.00 5.52 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 25 M 8.56 4.52 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 26 G 8.20 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 0.00 0.00 0.00 0.00 27 I 8.54 3.74 2.04 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 1.24 0.70 0.83 0.00 0.00 28 G 5.38 4.96 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 29 H 7.35 4.37 0.00 3.14 3.33 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.74 4.23 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 36 N 8.80 4.56 0.00 2.84 2.95 0.00 0.00 5.93 7.26 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 37 A 7.86 4.28 1.30 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 0.00 0.00 0.00 38 E 7.90 4.04 0.00 2.05 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 2.31 2.34 0.00 39 D 8.09 4.40 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.39 3.75 1.88 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 1.71 0.62 0.92 0.00 0.00 41 L 7.95 4.06 0.00 1.68 1.71 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.99 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 43 E 7.77 4.06 0.00 2.04 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 2.35 2.47 0.00 44 I 7.94 4.01 1.95 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.86 1.07 0.00 0.00 45 T 8.04 4.27 4.06 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 0.95 0.00 0.00 46 G 7.38 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 47 Q 7.07 4.35 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 48 M 8.30 4.37 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 49 P 0.00 4.86 0.00 2.08 2.01 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 1.94 2.13 0.00 50 V 8.32 4.56 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 0.79 0.00 0.00 0.98 0.00 0.00 51 R 8.62 4.56 0.00 1.67 1.86 0.00 3.30 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 52 T 8.61 4.58 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 1.19 0.00 0.00 53 K 8.92 5.04 0.00 1.60 1.73 0.00 1.72 0.00 0.00 2.61 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.24 7.81 54 A 7.93 4.84 1.11 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 0.00 0.00 55 K 8.02 4.58 0.00 1.58 1.65 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.42 7.81 56 R 8.77 3.94 0.00 1.97 1.99 0.00 3.20 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 57 T 8.52 4.21 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 1.26 0.00 0.00 58 V 8.28 4.48 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 1.03 0.00 0.00 0.99 0.00 0.00 59 G 8.68 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.00 4.27 0.00 2.14 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 2.28 2.32 0.00 61 F 8.20 4.23 0.00 3.05 3.10 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 62 D 8.13 4.77 0.00 2.69 2.48 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 63 I 7.39 3.84 1.90 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.51 1.02 0.00 0.00 64 R 7.63 4.10 0.00 1.70 2.04 0.00 3.19 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 65 E 8.26 3.79 0.00 2.02 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 2.36 2.29 0.00 66 G 7.65 4.21 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 0.00 67 D 8.20 4.81 0.00 2.64 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 68 P 0.00 4.59 0.00 1.93 2.04 0.00 3.58 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 2.01 2.12 0.00 69 I 9.21 4.36 1.95 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 1.10 1.19 0.87 0.00 0.00 70 G 7.83 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 0.00 0.00 0.00 0.00 71 A 8.72 5.12 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 72 K 8.71 4.94 0.00 1.78 1.88 0.00 1.22 0.00 0.00 1.52 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.33 7.81 73 V 8.55 4.66 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 0.84 0.00 0.00 0.85 0.00 0.00 74 T 8.55 4.79 4.20 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 1.16 0.00 0.00 75 L 8.63 4.68 0.00 1.59 1.64 0.50 0.47 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 76 R 7.97 4.81 0.00 1.62 1.77 0.00 3.33 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 77 D 8.95 4.33 0.00 2.88 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 0.00 0.00 0.00 0.00 78 E 8.98 3.94 0.00 2.02 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 2.41 2.42 0.00 79 M 8.29 4.12 0.00 2.01 2.27 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.59 0.00 80 A 7.89 4.15 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 81 E 7.96 3.94 0.00 2.11 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 2.38 2.57 0.00 82 E 8.45 3.98 0.00 1.94 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 0.00 2.35 2.45 0.00 83 F 7.60 4.42 0.00 3.42 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.27 4.04 0.00 1.93 1.78 1.09 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.16 3.91 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.42 0.00 0.00 0.00 0.00 0.00 2.09 2.43 0.00 86 T 7.34 4.52 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 1.16 0.00 0.00 87 A 7.57 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.23 3.73 0.00 1.72 1.64 0.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.33 0.00 2.00 2.06 0.00 3.57 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 2.15 2.08 0.00 90 L 7.58 4.63 0.00 1.75 1.69 0.96 0.96 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 91 A 7.75 4.57 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.60 4.27 0.00 1.97 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 2.27 2.31 0.00 93 L 8.20 4.19 0.00 1.59 1.62 0.71 0.68 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 94 A 8.25 4.79 1.29 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 0.00 0.00 95 T 8.51 4.23 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 1.20 0.00 0.00 96 S 8.15 4.44 0.00 4.06 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 0.00 97 Q 7.85 4.48 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 98 F 8.55 5.16 0.00 3.10 2.99 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 99 D 10.01 4.60 0.00 2.87 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 0.00 100 D 8.69 4.54 0.00 2.72 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 0.00 101 T 8.03 4.04 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 1.23 0.00 0.00 102 G 6.98 3.63 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 0.00 103 N 8.31 5.52 0.00 2.73 2.85 0.00 0.00 6.54 8.13 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 0.00 104 F 8.25 4.72 0.00 2.69 1.71 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 0.00 105 S 8.17 5.08 0.00 3.76 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 0.00 106 F 8.85 4.95 0.00 3.12 3.17 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 0.00 107 G 9.16 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 0.00 0.00 0.00 *128 L 8.32 4.12 0.00 1.68 1.68 0.94 1.18 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 0.00 129 D 8.75 4.67 0.00 2.63 2.46 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 0.00 130 V 8.04 4.25 0.77 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 0.88 0.00 0.00 0.87 0.00 0.00 131 T 8.34 4.74 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 132 V 7.67 4.51 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 1.06 0.00 0.00 0.70 0.00 0.00 133 N 9.11 4.99 0.00 2.75 2.70 0.00 0.00 6.61 6.21 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 0.00 134 L 8.12 5.29 0.00 1.70 1.45 1.27 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.70 4.13 1.49 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 0.20 0.00 0.00 0.54 0.00 0.00 136 R 8.18 4.29 0.00 1.79 1.77 0.00 3.14 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 137 P 0.00 4.21 0.00 2.05 2.17 0.00 3.73 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 2.08 2.10 0.00 138 G 7.75 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 0.00 0.00 0.00 0.00 139 Y 8.13 4.09 0.00 3.15 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 0.00 140 R 8.27 3.87 0.00 1.92 1.95 0.00 3.25 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 141 V 7.37 3.49 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 0.96 0.00 0.00 0.98 0.00 0.00 142 A 7.88 4.68 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 0.00 143 K 7.39 4.14 0.00 1.60 1.77 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.75 1.21 7.81 144 R 7.72 4.15 0.00 1.88 1.93 0.00 3.03 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.56 0.00 145 D 8.43 4.48 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 K 7.92 3.99 0.00 1.73 1.74 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.42 7.81 147 A 8.73 3.79 1.29 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 0.00 0.00 148 S 7.85 4.57 0.00 3.91 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 0.00 149 R 8.54 4.65 0.00 1.90 1.72 0.00 3.12 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 150 S 8.55 4.55 0.00 3.91 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 0.00 151 I 8.27 3.89 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.21 1.04 0.00 0.00 152 P 0.00 4.44 0.00 2.19 1.99 0.00 3.64 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 153 T 8.58 3.93 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 1.23 0.00 0.00 154 K 7.97 4.11 0.00 1.77 1.95 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.58 7.81 155 H 8.13 4.38 0.00 3.14 3.46 0.00 5.92 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.20 4.08 0.00 2.16 1.87 0.00 3.44 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.75 0.00 157 L 8.30 4.18 0.00 1.51 1.74 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.15 5.18 0.00 2.78 2.64 0.00 0.00 6.80 8.03 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 0.00 159 P 0.00 4.23 0.00 2.12 2.11 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.37 0.00 160 A 7.84 3.84 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 D 8.08 4.37 0.00 2.80 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 0.00 162 A 8.07 4.09 1.58 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 0.00 163 V 7.58 3.16 1.93 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 0.81 0.00 0.00 0.03 0.00 0.00 164 A 7.79 4.23 1.38 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 0.00 0.00 0.00 165 F 7.76 4.04 0.00 2.98 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 0.00 166 I 7.71 3.73 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.13 0.87 0.00 0.00 167 E 8.99 4.06 0.00 1.98 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 2.26 2.37 0.00 168 S 8.09 4.53 0.00 3.86 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 0.00 169 T 7.52 4.64 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 1.23 0.00 0.00 170 Y 9.03 3.52 0.00 3.01 3.10 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 0.00 171 D 7.44 4.30 0.00 2.67 2.62 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 0.00 172 V 8.19 4.18 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 0.83 0.00 0.00 0.90 0.00 0.00 173 E 8.16 4.67 0.00 2.01 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 2.21 0.00 174 V 8.30 3.90 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 0.87 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.