NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.6123 8.1648 122.9798 51.9855 20.1607 175.4362 *2 N 4.7961 8.1782 114.6565 53.8527 40.2455 173.9850 3 T 5.0747 8.6173 116.2208 60.5501 71.7212 172.1960 4 V 4.6954 8.5086 126.1592 61.1745 32.8904 174.9160 5 C 4.2770 9.0472 129.4565 59.5291 31.9740 174.0123 6 T 4.0885 8.8537 120.2042 63.3358 67.5481 174.1993 7 A 4.3924 7.5943 121.7186 53.7658 19.7736 176.1023 8 C 4.3985 7.2535 105.9014 59.1618 32.7568 173.0254 *10 A 4.1546 7.4365 119.3697 50.9252 20.1660 175.2333 11 T 4.5237 8.5189 118.7913 63.5188 69.8240 173.9771 12 N 4.9249 9.3788 122.9196 51.4565 42.1089 173.3488 13 R 4.7398 8.6808 124.9456 55.5136 31.3476 175.3777 14 L 5.1123 8.3544 124.9482 51.8483 46.3476 174.3763 15 P 4.5304 0.0000 0.0000 62.7248 31.8994 176.3707 16 E 4.0366 8.7971 121.0953 58.3026 29.9177 176.7123 17 E 4.6259 8.0766 118.1661 54.2440 31.2838 175.2377 18 R 4.7426 8.1459 119.6095 54.0345 32.3586 176.3023 19 I 3.8108 8.4594 120.2681 64.0107 37.2621 175.5562 20 D 4.9331 7.6248 115.5811 52.1596 42.0784 174.6918 21 D 4.8455 8.5613 117.0069 54.6129 41.0299 177.9284 22 G 3.9808 8.4416 106.6081 45.1862 0.0000 174.6899 23 A 4.1096 8.0485 122.3729 52.6265 19.3389 176.7406 24 K 4.8839 8.3939 120.4986 54.1080 34.9002 175.6035 25 C 3.7928 9.0404 124.2721 60.1537 31.9282 175.2415 26 G 3.7207 9.6485 114.7513 47.5199 0.0000 174.6725 27 R 4.2082 7.9931 119.4812 57.8508 30.5572 176.3174 28 C 4.6652 7.7586 107.9704 56.9517 30.7007 174.5580 29 G 3.8756 8.2685 108.4572 45.9922 0.0000 173.1768 30 H 4.4317 7.7930 120.2326 55.4400 30.8386 174.5251 31 S 4.3361 8.4319 121.2182 59.1906 63.0363 175.2358 32 L 3.7813 8.7373 125.8553 55.7471 41.7032 177.5773 33 F 5.0655 6.7984 117.0510 56.1995 39.0138 174.9209 34 D 4.4209 7.9928 118.3531 53.6349 40.7270 178.2187 35 G 3.8665 8.2409 108.1816 46.0218 0.0000 173.0079 36 E 4.4605 8.5012 118.9659 55.1904 30.5110 176.8700 37 V 4.1128 8.0998 115.0316 61.5736 32.9047 175.5461 38 I 4.4481 9.1196 125.3118 59.6734 39.4614 174.5558 39 N 5.2419 8.9162 125.1721 52.5776 38.8665 174.6439 40 A 4.7353 8.8231 126.9860 50.8807 20.9260 175.9338 41 T 4.7963 8.5838 108.5933 57.7227 72.0139 174.8297 42 A 4.0391 9.0013 122.4949 55.5279 18.1439 179.2482 43 E 4.1221 8.0901 115.9457 58.5938 29.7852 178.3793 44 T 4.4439 7.5825 108.2483 62.1920 70.4207 175.9824 45 L 3.9054 7.9627 123.5432 58.3762 41.7953 178.7732 46 D 4.3767 7.9876 116.8931 57.2258 41.2692 178.1886 47 K 4.0614 8.1003 118.4958 59.7883 31.9886 179.1197 48 L 4.0544 8.2929 119.2341 57.6381 41.3113 178.9889 49 L 4.2886 7.6624 116.5918 56.1785 41.8394 178.6432 50 Q 4.1352 7.8696 117.5829 57.2910 28.9869 175.9036 51 D 4.5025 6.9445 118.9611 54.7876 41.7177 176.2666 52 D 4.6465 8.6188 122.8509 55.4900 41.4944 177.5455 53 L 4.2565 8.7303 119.4440 53.6111 42.4816 176.1984 54 P 4.8386 0.0000 0.0000 61.8761 32.2842 174.7954 *56 V 4.2770 8.0629 117.1128 63.5238 33.1289 174.8865 57 I 4.9658 8.5551 127.5596 59.6355 40.2207 173.8399 58 D 4.4855 9.4342 128.7859 52.6876 42.3127 175.2778 59 F 4.9957 9.2145 127.3615 56.5560 40.2482 175.1921 60 W 5.4430 9.0224 120.8123 55.0288 32.0686 173.5519 61 A 4.4940 8.6608 119.6125 49.6480 21.6165 174.5584 62 P 4.3660 0.0000 0.0000 62.9659 32.5930 176.2397 63 W 3.6606 8.1707 116.9480 57.5374 26.2153 176.7948 64 C 4.7036 7.8795 117.3341 54.5091 39.9903 174.5935 65 G 3.8683 8.1779 111.6581 47.4888 0.0000 171.5139 66 P 4.3828 0.0000 0.0000 64.5890 31.6326 179.7039 67 C 4.3799 8.2739 115.9324 59.8940 39.8929 176.1575 68 R 3.8319 7.9245 118.4017 59.3968 29.8714 178.9325 69 S 4.2605 7.8298 112.3816 61.1620 63.2871 175.8406 70 F 4.2613 8.3028 124.1091 60.5007 38.9822 176.8955 71 A 3.7773 7.7541 120.5787 54.9182 18.0570 177.9444 72 P 4.1014 0.0000 0.0000 65.3700 31.4476 178.8873 73 I 3.5552 7.4122 118.3814 64.1767 36.9692 177.9635 74 F 4.1050 7.6588 121.2195 61.2107 39.2865 176.8418 75 A 3.8302 8.1740 120.6426 55.1368 18.2818 179.2074 76 E 3.7351 8.1492 117.6552 59.7985 29.6318 179.1119 77 T 3.7087 7.8418 115.4756 66.3987 68.2257 176.2682 78 A 2.5800 6.9751 121.5084 54.6320 18.1837 179.2353 79 A 4.1315 7.4444 120.2135 54.8010 18.2264 179.6783 80 E 4.0012 7.8184 115.4237 58.2354 29.6993 178.1227 81 R 4.4883 7.0263 116.5307 55.9035 30.8337 177.7270 82 A 3.9021 7.3746 123.7594 55.0749 18.3584 179.5784 83 G 3.6388 7.7335 100.6210 44.5870 0.0000 174.1189 84 K 4.4242 8.6054 118.1287 56.6127 34.7795 176.9102 85 V 4.6764 7.5843 115.7928 61.1163 34.6096 173.9121 86 R 4.7453 8.4737 125.5594 55.1570 31.7233 175.8079 87 F 4.5744 9.0198 121.9843 55.8756 41.0025 174.7309 88 V 5.0415 9.3993 124.2937 60.9707 34.6982 174.3398 89 K 5.0912 9.4166 125.9016 54.5826 35.9722 175.3730 90 V 4.4129 8.6968 123.5400 60.8015 34.5561 174.3689 91 N 3.6340 8.6608 127.8354 52.9042 38.4865 175.5762 92 T 3.9388 8.5205 118.1757 64.2712 69.1622 176.4925 93 E 4.0662 7.9962 120.5921 58.5040 30.0223 177.6735 94 A 4.0795 8.2555 121.3831 54.3949 19.0449 177.5118 95 E 4.7741 7.9727 114.3081 54.0509 29.8589 175.0869 96 P 4.4998 0.0000 0.0000 64.8093 32.0901 178.4652 97 A 4.0246 7.9785 120.6811 54.7904 18.3860 179.4269 98 L 4.1602 7.9320 117.3576 58.0548 41.8510 179.2026 99 S 4.1509 8.2469 113.0868 61.8128 62.2024 176.5049 100 T 3.8253 8.2073 118.4001 66.6262 68.0310 176.6328 101 R 3.8276 8.3130 119.4812 59.4976 30.2412 177.8963 102 F 4.0338 8.7288 114.2021 56.8852 39.6668 175.3049 103 R 3.7697 8.0215 117.1750 57.0664 27.9567 177.0532 104 I 3.7711 7.6040 117.7485 61.5668 37.7420 176.9379 105 R 4.5620 8.5185 122.5388 56.0450 32.3724 176.1001 106 S 4.6936 7.4684 112.7764 56.4982 66.6249 173.2966 107 I 4.4481 8.2368 123.8804 58.9184 38.9181 173.7120 108 P 5.4974 0.0000 0.0000 61.9692 33.5467 174.7720 109 T 4.8681 8.4789 117.3686 62.0495 71.0947 173.5912 110 I 5.6267 8.2713 126.3131 58.4950 40.4936 174.7379 *112 L 4.2895 8.1427 123.9252 55.4968 43.2066 174.9776 113 Y 4.9247 8.7429 123.1451 56.1389 40.9290 174.6599 114 R 4.5929 8.3342 122.5463 55.7910 33.2505 174.3188 115 N 4.2323 10.1007 120.2800 54.5575 37.5059 174.8777 116 G 4.3874 8.9392 105.8428 44.4643 0.0000 174.6636 117 K 4.4464 8.0626 115.4945 57.2583 32.3891 177.7401 *119 I 3.9780 8.8768 114.7265 60.6900 38.8651 174.0062 120 D 4.4147 7.2047 115.3841 53.9199 44.5946 173.8168 *122 L 3.8426 8.1676 116.5402 55.0502 42.5659 176.5608 123 N 4.8281 8.4337 119.4152 51.9925 37.5113 174.3220 124 G 3.8959 7.0973 105.6836 44.4377 0.0000 173.3627 125 A 3.1124 8.0734 122.2575 52.2626 18.7562 177.1668 126 V 4.4728 7.2803 111.3810 58.4554 35.9766 173.6891 127 P 4.7480 0.0000 0.0000 61.4322 33.6498 177.1132 128 K 4.0122 8.6911 118.2307 60.0633 31.8397 177.9636 129 A 4.0663 8.0809 120.0087 55.1232 18.3443 177.6182 130 P 4.2948 0.0000 0.0000 65.6596 31.2738 178.6438 131 F 4.6783 8.4715 119.5221 61.6590 39.4296 176.9015 132 D 4.2716 8.5956 118.8108 57.5432 40.5318 178.6606 133 N 4.4430 8.5775 117.1801 55.8150 38.4847 177.2979 134 W 4.1884 8.7083 130.1450 60.5055 30.8838 177.6372 135 L 3.3968 8.1627 119.0472 57.9600 40.9806 179.2408 136 D 4.2688 8.4541 118.5671 57.5069 40.6037 178.7404 137 E 3.8663 8.0792 118.4335 59.3659 29.7412 178.3300 138 Q 3.9061 7.6632 118.3892 58.6296 28.9821 177.6009 139 L 4.0440 7.8744 120.6802 57.3709 41.5163 179.2072 140 S 3.9396 7.5441 113.2788 60.8977 62.7519 174.5980 141 R 4.0439 7.2415 125.5662 56.5276 29.7665 176.1942 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 0 A 8.16 4.61 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 *2 N 8.18 4.80 0.00 2.71 2.81 0.00 0.00 6.20 7.05 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 3 T 8.62 5.07 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 1.23 0.00 0.00 4 V 8.51 4.70 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 0.78 0.00 0.00 0.98 0.00 0.00 5 C 9.05 4.28 0.00 2.97 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.85 4.09 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 1.22 0.00 0.00 7 A 7.59 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 C 7.25 4.40 0.00 3.04 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 *10 A 7.44 4.15 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 11 T 8.52 4.52 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 12 N 9.38 4.92 0.00 2.49 2.65 0.00 0.00 6.41 7.70 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 13 R 8.68 4.74 0.00 1.87 1.84 0.00 3.19 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.90 0.00 14 L 8.35 5.11 0.00 1.66 1.56 1.02 1.04 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 15 P 0.00 4.53 0.00 2.38 2.07 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 16 E 8.80 4.04 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 17 E 8.08 4.63 0.00 1.96 1.83 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 2.20 2.25 0.00 18 R 8.15 4.74 0.00 1.91 1.90 0.00 3.13 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.69 0.00 19 I 8.46 3.81 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 1.47 0.54 0.91 0.00 0.00 20 D 7.62 4.93 0.00 2.71 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 21 D 8.56 4.85 0.00 2.68 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 22 G 8.44 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 0.00 0.00 0.00 23 A 8.05 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.39 4.88 0.00 1.60 1.78 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.33 7.81 25 C 9.04 3.79 0.00 2.92 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 26 G 9.65 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 0.00 0.00 0.00 27 R 7.99 4.21 0.00 1.77 1.94 0.00 3.18 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 28 C 7.76 4.67 0.00 3.06 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 29 G 8.27 3.88 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 0.00 0.00 0.00 30 H 7.79 4.43 0.00 3.19 3.15 0.00 5.69 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.43 4.34 0.00 3.64 3.73 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 32 L 8.74 3.78 0.00 0.78 0.94 0.78 0.76 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 33 F 6.80 5.07 0.00 3.36 3.06 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 34 D 7.99 4.42 0.00 2.75 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 35 G 8.24 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 36 E 8.50 4.46 0.00 2.05 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 2.57 2.43 0.00 37 V 8.10 4.11 2.25 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 0.68 0.00 0.00 0.96 0.00 0.00 38 I 9.12 4.45 1.93 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 1.26 0.69 0.93 0.00 0.00 39 N 8.92 5.24 0.00 2.64 2.86 0.00 0.00 7.06 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 40 A 8.82 4.74 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 41 T 8.58 4.80 4.37 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 1.22 0.00 0.00 42 A 9.00 4.04 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 43 E 8.09 4.12 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 44 T 7.58 4.44 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 45 L 7.96 3.91 0.00 1.86 1.76 0.78 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.99 4.38 0.00 2.69 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 47 K 8.10 4.06 0.00 1.96 1.88 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.56 7.81 48 L 8.29 4.05 0.00 1.81 1.72 0.92 0.52 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 49 L 7.66 4.29 0.00 1.77 1.72 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.87 4.14 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.77 0.00 0.00 0.00 0.00 0.00 2.72 2.52 0.00 51 D 6.94 4.50 0.00 2.76 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 52 D 8.62 4.65 0.00 2.94 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 53 L 8.73 4.26 0.00 1.67 1.66 1.15 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.84 0.00 2.14 1.99 0.00 4.13 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 *56 V 8.06 4.28 1.53 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 1.33 0.00 0.00 0.53 0.00 0.00 57 I 8.56 4.97 1.93 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.17 -0.03 0.00 0.00 58 D 9.43 4.49 0.00 1.58 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 0.00 0.00 0.00 59 F 9.21 5.00 0.00 3.10 2.97 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 60 W 9.02 5.44 0.00 3.43 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.66 4.49 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 62 P 0.00 4.37 0.00 1.84 1.82 0.00 3.77 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 63 W 8.17 3.66 0.00 3.67 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 7.88 4.70 0.00 3.02 3.22 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 65 G 8.18 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 66 P 0.00 4.38 0.00 2.16 2.09 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 67 C 8.27 4.38 0.00 3.30 3.30 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 68 R 7.92 3.83 0.00 2.01 1.98 0.00 3.20 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 69 S 7.83 4.26 0.00 4.07 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 70 F 8.30 4.26 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 71 A 7.75 3.78 1.15 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 0.00 0.00 72 P 0.00 4.10 0.00 2.09 2.03 0.00 3.58 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 2.04 2.08 0.00 73 I 7.41 3.56 1.41 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 1.48 0.79 0.74 0.00 0.00 74 F 7.66 4.10 0.00 2.51 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 75 A 8.17 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.15 3.74 0.00 2.02 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 2.24 2.29 0.00 77 T 7.84 3.71 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 1.19 0.00 0.00 78 A 6.98 2.58 0.84 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 0.00 0.00 79 A 7.44 4.13 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 80 E 7.82 4.00 0.00 2.00 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 2.28 2.47 0.00 81 R 7.03 4.49 0.00 1.78 1.93 0.00 3.34 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 82 A 7.37 3.90 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.73 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.61 4.42 0.00 1.65 1.78 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.26 7.81 85 V 7.58 4.68 2.38 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 0.67 0.00 0.00 0.95 0.00 0.00 86 R 8.47 4.75 0.00 1.80 1.91 0.00 3.28 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 87 F 9.02 4.57 0.00 2.70 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 0.00 0.00 0.00 0.00 88 V 9.40 5.04 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 0.96 0.00 0.00 0.96 0.00 0.00 89 K 9.42 5.09 0.00 1.80 1.75 0.00 1.76 0.00 0.00 1.52 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.41 1.59 7.81 90 V 8.70 4.41 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 0.90 0.00 0.00 0.51 0.00 0.00 91 N 8.66 3.63 0.00 2.25 2.43 0.00 0.00 6.91 7.22 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 92 T 8.52 3.94 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 1.32 0.00 0.00 93 E 8.00 4.07 0.00 1.96 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 2.20 2.23 0.00 94 A 8.26 4.08 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 0.00 0.00 0.00 0.00 0.00 95 E 7.97 4.77 0.00 2.06 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 2.17 2.32 0.00 96 P 0.00 4.50 0.00 2.26 2.30 0.00 3.92 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 2.07 1.88 0.00 97 A 7.98 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.93 4.16 0.00 2.01 1.97 0.96 1.02 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 99 S 8.25 4.15 0.00 3.95 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 0.00 100 T 8.21 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 1.21 0.00 0.00 101 R 8.31 3.83 0.00 1.77 2.27 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.46 0.00 102 F 8.73 4.03 0.00 2.81 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 0.00 103 R 8.02 3.77 0.00 1.89 1.95 0.00 3.13 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 104 I 7.60 3.77 1.79 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.37 0.87 0.00 0.00 105 R 8.52 4.56 0.00 1.73 1.92 0.00 3.29 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 106 S 7.47 4.69 0.00 3.99 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 0.00 107 I 8.24 4.45 1.90 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 1.48 0.88 0.97 0.00 0.00 108 P 0.00 5.50 0.00 2.05 2.18 0.00 3.72 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 1.75 1.67 0.00 109 T 8.48 4.87 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 1.22 0.00 0.00 110 I 8.27 5.63 1.67 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.33 1.32 0.00 0.00 *112 L 8.14 4.29 0.00 1.83 1.61 0.83 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 8.74 4.92 0.00 3.08 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 0.00 114 R 8.33 4.59 0.00 1.82 1.70 0.00 3.23 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 115 N 10.10 4.23 0.00 2.82 2.81 0.00 0.00 7.34 7.98 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 0.00 116 G 8.94 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 0.00 117 K 8.06 4.45 0.00 1.89 1.12 0.00 1.34 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.27 1.31 7.81 *119 I 8.88 3.98 1.89 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 1.23 0.46 0.82 0.00 0.00 120 D 7.20 4.41 0.00 2.68 2.77 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 *122 L 8.17 3.84 0.00 1.32 1.34 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 123 N 8.43 4.83 0.00 2.75 2.85 0.00 0.00 5.96 7.00 0.00 0.00 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 G 7.10 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 0.00 125 A 8.07 3.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 7.28 4.47 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.11 0.00 0.00 127 P 0.00 4.75 0.00 2.24 2.05 0.00 3.70 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 2.16 2.18 0.00 128 K 8.69 4.01 0.00 1.85 1.88 0.00 1.96 0.00 0.00 2.02 0.00 0.00 3.21 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.58 1.51 7.81 129 A 8.08 4.07 1.39 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 0.00 130 P 0.00 4.29 0.00 2.31 2.23 0.00 3.78 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 2.20 2.23 0.00 131 F 8.47 4.68 0.00 3.47 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.60 4.27 0.00 2.94 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 0.00 133 N 8.58 4.44 0.00 2.96 2.94 0.00 0.00 6.68 8.14 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 0.00 134 W 8.71 4.19 0.00 3.47 3.55 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 0.00 135 L 8.16 3.40 0.00 1.71 1.53 0.73 1.24 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 0.00 136 D 8.45 4.27 0.00 2.72 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 0.00 137 E 8.08 3.87 0.00 2.00 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 2.31 0.00 138 Q 7.66 3.91 0.00 1.54 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 1.76 2.14 0.00 139 L 7.87 4.04 0.00 1.65 1.60 0.83 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 140 S 7.54 3.94 0.00 3.93 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 0.00 141 R 7.24 4.04 0.00 1.82 1.86 0.00 3.16 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 * Residues marked with a * may have inaccurate shift predictions.