NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.2011 8.1744 117.3800 63.3952 71.2771 173.0166 8 D 4.2123 7.7463 128.5820 52.2520 41.0307 174.9730 9 P 4.3743 0.0000 0.0000 65.4586 32.4303 177.2846 10 R 4.2120 7.8193 115.7734 56.5539 30.4959 176.7183 11 A 4.1515 7.5871 121.1364 51.1792 18.9475 177.2227 12 K 3.8067 8.7090 121.0873 56.7135 32.5107 176.3158 13 W 4.3191 8.8737 135.0000 57.1452 31.3651 175.2041 14 V 4.1041 7.4701 124.4894 60.1856 32.5582 173.2984 15 P 3.9179 0.0000 0.0000 61.7939 32.6277 175.1987 16 Q 4.7189 8.5294 116.9711 54.6159 31.4824 174.7029 17 D 5.4914 8.6106 116.6148 54.5216 41.7266 175.9338 18 N 4.9510 9.2673 114.2905 52.1782 38.5269 173.9466 19 D 4.2715 8.0013 118.1545 53.7213 42.6701 175.3707 20 I 3.0495 8.0261 120.6103 62.1557 37.9656 176.5607 21 Q 4.2399 8.2397 119.1145 56.2429 29.2822 175.3543 22 A 4.8052 7.4739 121.2769 50.5331 20.7854 177.9297 23 C 4.5795 8.7407 117.6629 61.8341 28.6349 174.1497 24 D 4.9754 8.1478 119.1985 53.3194 40.5092 175.5254 25 Y 4.8050 8.4422 122.5874 57.6496 39.2276 176.8854 26 W 4.5125 7.9666 123.9441 59.7492 28.1604 177.7309 27 R 3.3953 6.0002 117.5905 58.1258 30.0252 176.2950 28 H 5.1275 8.3323 115.9399 56.1367 28.8396 174.7202 29 C 3.1979 8.3079 117.4142 56.9756 42.6520 173.8347 30 S 5.0170 8.0112 114.3968 56.5968 62.5069 173.9451 31 I 3.3067 7.4174 117.8619 60.2385 39.1969 174.1110 32 D 4.9323 9.0310 126.6328 53.0625 44.1498 171.8006 33 G 4.2615 7.6891 118.4246 44.3347 0.0000 174.4329 34 N 5.4437 9.5960 123.5221 50.8626 42.1774 173.4559 35 I 4.2150 8.2011 123.1483 61.1372 37.6771 176.7905 36 C 4.3300 8.5939 124.0549 59.7929 34.3311 175.5765 37 D 4.1538 8.1698 119.3180 57.0860 40.5063 177.8198 38 C 4.7833 7.9993 114.7636 57.0722 40.4451 173.7774 39 S 4.6289 8.1123 114.8018 58.0334 63.1478 174.9668 40 G 4.0378 8.7950 107.8994 45.8739 0.0000 175.3542 41 G 4.0377 7.5070 112.5311 45.1227 0.0000 171.6791 42 S 5.1191 8.4029 115.1019 56.7099 66.3653 174.3725 43 L 3.9340 8.7178 121.0161 58.1304 41.5823 178.5225 44 T 4.7769 7.8102 104.6042 61.0066 69.4229 172.8795 45 N 5.0766 7.7003 117.7492 51.9788 42.3318 173.0948 46 C 4.8855 8.4012 117.6284 55.3266 36.4349 172.3378 47 P 4.6426 0.0000 0.0000 61.5427 31.6702 174.3630 48 P 4.1982 0.0000 0.0000 64.5330 31.6363 176.8513 49 G 3.9895 9.2036 109.9630 46.2784 0.0000 173.3062 50 T 4.2174 6.6133 108.9359 60.1449 71.3940 174.2604 51 K 4.5155 8.5880 121.0241 54.2035 35.0263 175.6203 52 L 4.5646 8.5697 127.7145 54.6780 42.3974 176.4872 53 A 4.4496 8.8518 129.1439 52.3998 19.0071 176.8729 54 T 4.4303 8.5410 107.8422 62.5540 70.9848 174.9652 55 A 4.5400 8.1065 123.7187 52.5655 19.1594 177.6678 56 S 4.7784 7.7048 111.8742 58.3100 64.9755 174.0707 *58 V 4.3397 8.1590 119.0105 62.4215 32.5223 174.7857 59 A 4.8708 8.6777 121.5857 50.8397 23.2468 175.4344 60 S 5.0036 8.7780 114.8902 57.5610 63.2099 173.8573 61 C 5.2363 9.3131 126.0172 55.4341 41.1504 172.6364 62 Y 4.7499 9.0027 124.9620 57.0478 40.3426 173.3290 63 N 3.9845 8.2389 126.4570 50.7598 39.4242 173.7809 64 P 4.1091 0.0000 0.0000 65.6084 31.9257 178.2316 65 T 3.8708 7.7711 116.0327 66.1763 68.2643 175.0858 66 D 4.5662 7.5966 116.4138 52.3264 40.0696 176.9272 67 G 3.7271 7.7703 107.7419 45.8290 0.0000 173.4883 68 Q 4.4400 7.7258 118.6637 54.3414 31.4906 174.6215 69 S 5.2076 8.1459 117.3769 57.2468 65.2301 172.7348 70 Y 5.1572 9.0345 122.2061 56.0857 41.4422 174.8291 71 L 4.8227 9.3196 123.6138 54.3972 43.3837 175.7245 72 I 4.5784 8.7375 125.2618 59.5726 39.2066 174.6876 73 A 4.4785 7.9370 129.7745 50.0539 19.7269 175.3643 74 Y 4.5183 8.1547 119.2564 58.5587 39.1794 175.5512 75 R 5.0145 8.7356 122.3720 54.4986 34.2106 174.4446 76 D 5.2783 8.7641 121.6313 53.6845 43.5372 175.8957 77 C 5.0762 9.0496 119.8010 55.9572 41.7742 172.3947 78 C 5.3344 9.5923 121.0307 55.5472 44.1208 175.1555 79 G 4.0541 9.4416 108.5731 45.3057 0.0000 172.9436 80 Y 4.9465 7.3933 115.9847 55.3807 41.6498 174.5816 81 N 4.5535 8.5253 120.2096 53.1047 39.4441 175.1055 82 V 3.9319 8.6753 121.9959 61.2769 31.7551 177.5175 83 S 4.2268 8.3930 117.8132 59.5998 62.9658 175.6656 84 G 3.9370 7.6660 107.2721 45.5748 0.0000 173.1074 85 R 4.5387 7.9128 117.9494 55.5117 33.3784 175.3400 86 C 4.3746 8.7389 117.1718 57.4788 37.6871 171.4455 87 P 4.9890 0.0000 0.0000 63.1939 32.4471 176.2103 88 C 4.7869 8.9576 117.5196 58.5886 33.2955 172.8802 89 L 4.9542 8.5223 123.9248 53.6267 44.0412 174.9666 90 N 5.0841 9.1678 124.0533 50.8723 42.8873 174.4399 91 T 4.9614 7.4181 108.3146 61.0337 68.6068 173.9022 92 E 4.1561 8.5069 121.9798 58.0512 30.1938 177.5828 93 G 3.7986 8.8786 110.5630 45.8628 0.0000 172.6478 94 E 4.2376 7.7392 120.6689 56.2614 29.5606 176.3547 95 L 4.7104 8.3783 125.9657 52.1743 45.3192 174.0857 96 P 4.4309 0.0000 0.0000 62.0706 32.2509 178.1479 97 V 3.8403 8.4789 120.2811 64.9764 31.1833 176.9764 98 Y 4.3963 8.0203 116.3311 58.3218 38.6891 175.9995 99 R 4.6832 7.7251 121.2913 54.1182 29.9749 174.6717 100 P 4.4469 0.0000 0.0000 65.6835 32.1286 179.3881 101 E 3.6393 8.2411 117.3327 58.3626 29.6451 177.4143 102 F 4.9769 8.5507 115.5952 56.8965 39.9786 174.2477 103 A 5.2529 8.5610 124.3975 50.1438 20.0120 177.0874 104 N 5.0967 9.4848 118.9232 52.7744 37.7137 175.3163 105 D 4.6875 7.8532 117.6835 55.2257 41.4951 176.8399 106 I 3.5100 7.1899 120.2646 60.7109 37.5332 175.9199 107 I 3.8012 7.6417 125.6596 60.3610 36.7528 177.0406 108 W 4.6993 8.1570 131.7766 56.1774 27.8905 176.6128 109 C 4.6462 7.1028 114.4649 56.4847 40.9496 174.5454 110 F 4.4564 7.1015 119.6028 59.4950 38.8594 176.3912 111 G 4.3308 9.3974 111.5709 46.3616 0.0000 173.6578 112 A 4.3101 7.6503 123.0007 51.4543 19.2841 176.8975 113 E 4.0683 8.6758 121.5980 57.8222 30.1138 176.6161 114 D 4.2376 8.9815 121.4645 55.3898 38.3651 173.2509 115 D 4.4059 7.8644 113.6306 54.6077 39.1877 173.9885 116 A 4.0489 7.7186 120.9846 53.3804 18.5004 178.3623 117 M 4.6955 8.4794 119.9678 54.5960 34.2655 175.6497 118 T 4.3645 7.6526 110.0400 61.2394 70.7178 172.9195 119 Y 4.4658 8.5455 124.9788 57.3737 40.1670 174.1850 120 H 4.5416 7.9154 126.0313 57.1437 32.2709 171.3475 121 C 5.0079 6.5252 109.7699 55.1945 41.5236 172.0308 122 T 5.3920 8.9742 115.6121 61.8074 71.7660 173.9448 123 I 4.3512 8.8236 118.8558 59.0539 40.5426 175.0994 124 S 4.9088 8.2705 117.0832 56.7557 61.7450 172.8363 125 P 4.4009 0.0000 0.0000 62.0457 32.8023 176.3182 126 I 4.2875 8.0298 121.6134 61.5664 37.5582 176.1666 127 V 4.3398 8.9209 117.3236 60.3884 33.3260 175.4865 128 G 4.0087 7.4038 106.4458 46.5164 0.0000 172.1221 129 K 4.8367 8.6087 118.4666 55.1870 33.5141 177.1206 130 A 4.2804 8.0225 124.5563 52.0466 19.6710 178.1555 131 S 4.6198 8.8342 113.9445 58.7359 62.8524 172.6844 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 7 T 8.17 4.20 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 8 D 7.75 4.21 0.00 2.85 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 9 P 0.00 4.37 0.00 2.24 2.20 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 10 R 7.82 4.21 0.00 1.79 2.03 0.00 3.18 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 11 A 7.59 4.15 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 12 K 8.71 3.81 0.00 1.76 1.82 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.54 7.81 13 W 8.87 4.32 0.00 3.27 3.15 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 14 V 7.47 4.10 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 0.82 0.00 0.00 0.94 0.00 0.00 15 P 0.00 3.92 0.00 2.27 1.89 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 16 Q 8.53 4.72 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.96 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 17 D 8.61 5.49 0.00 2.58 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 18 N 9.27 4.95 0.00 2.80 2.92 0.00 0.00 6.54 8.63 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 19 D 8.00 4.27 0.00 2.75 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 20 I 8.03 3.05 1.32 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.56 0.09 0.00 0.00 21 Q 8.24 4.24 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 22 A 7.47 4.81 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 23 C 8.74 4.58 0.00 3.15 3.19 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 24 D 8.15 4.98 0.00 2.50 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 25 Y 8.44 4.81 0.00 3.43 2.89 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 26 W 7.97 4.51 0.00 3.69 3.03 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 0.00 0.00 0.00 27 R 6.00 3.40 0.00 1.42 1.56 0.00 2.98 0.00 0.00 2.82 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 28 H 8.33 5.13 0.00 3.54 3.38 0.00 5.62 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.31 3.20 0.00 2.56 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 30 S 8.01 5.02 0.00 3.94 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.42 3.31 1.71 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 1.00 1.05 0.88 0.00 0.00 32 D 9.03 4.93 0.00 2.75 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.69 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 0.00 0.00 0.00 0.00 34 N 9.60 5.44 0.00 2.81 2.84 0.00 0.00 7.41 7.08 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 35 I 8.20 4.21 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.84 0.98 0.00 0.00 36 C 8.59 4.33 0.00 2.93 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 37 D 8.17 4.15 0.00 2.75 2.64 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 38 C 8.00 4.78 0.00 3.10 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 39 S 8.11 4.63 0.00 4.01 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 40 G 8.80 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 41 G 7.51 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 42 S 8.40 5.12 0.00 3.94 3.93 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 0.00 0.00 0.00 0.00 43 L 8.72 3.93 0.00 1.66 1.68 0.92 0.58 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 44 T 7.81 4.78 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 1.17 0.00 0.00 45 N 7.70 5.08 0.00 2.72 2.66 0.00 0.00 7.01 7.54 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 46 C 8.40 4.89 0.00 2.89 2.90 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 47 P 0.00 4.64 0.00 2.02 2.13 0.00 3.50 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 2.11 2.09 0.00 48 P 0.00 4.20 0.00 2.02 1.98 0.00 3.63 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 2.02 2.08 0.00 49 G 9.20 3.99 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 0.00 50 T 6.61 4.22 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 0.20 0.00 0.00 51 K 8.59 4.52 0.00 1.61 1.70 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.76 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.41 1.62 7.81 52 L 8.57 4.56 0.00 1.61 1.57 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.85 4.45 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.54 4.43 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 55 A 8.11 4.54 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 0.00 0.00 0.00 0.00 0.00 56 S 7.70 4.78 0.00 3.77 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 *58 V 8.16 4.34 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 0.65 0.00 0.00 0.94 0.00 0.00 59 A 8.68 4.87 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.78 5.00 0.00 3.97 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 9.31 5.24 0.00 3.24 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.00 4.75 0.00 3.14 2.96 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 63 N 8.24 3.98 0.00 1.44 2.21 0.00 0.00 6.62 7.32 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 64 P 0.00 4.11 0.00 2.15 2.19 0.00 3.21 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.93 0.00 65 T 7.77 3.87 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 1.13 0.00 0.00 66 D 7.60 4.57 0.00 2.67 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.77 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 0.00 0.00 0.00 68 Q 7.73 4.44 0.00 1.61 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.73 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 69 S 8.15 5.21 0.00 3.75 3.82 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 70 Y 9.03 5.16 0.00 3.36 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 L 9.32 4.82 0.00 1.81 1.62 1.01 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.74 4.58 1.30 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 1.13 0.86 0.09 0.00 0.00 73 A 7.94 4.48 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 74 Y 8.15 4.52 0.00 2.95 2.96 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 75 R 8.74 5.01 0.00 1.74 1.81 0.00 3.08 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 76 D 8.76 5.28 0.00 2.94 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 77 C 9.05 5.08 0.00 2.71 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 78 C 9.59 5.33 0.00 2.75 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 79 G 9.44 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 0.00 0.00 0.00 80 Y 7.39 4.95 0.00 2.65 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 81 N 8.53 4.55 0.00 2.65 2.72 0.00 0.00 7.01 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 82 V 8.68 3.93 2.24 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 0.92 0.00 0.00 1.09 0.00 0.00 83 S 8.39 4.23 0.00 3.98 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 84 G 7.67 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 85 R 7.91 4.54 0.00 1.78 1.83 0.00 3.33 0.00 0.00 3.45 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 86 C 8.74 4.37 0.00 3.08 3.08 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 87 P 0.00 4.99 0.00 2.19 2.07 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 88 C 8.96 4.79 0.00 2.82 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 89 L 8.52 4.95 0.00 1.52 1.49 0.88 0.87 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 90 N 9.17 5.08 0.00 2.37 1.99 0.00 0.00 6.12 6.69 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 91 T 7.42 4.96 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 1.13 0.00 0.00 92 E 8.51 4.16 0.00 1.91 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 1.98 2.31 0.00 93 G 8.88 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 94 E 7.74 4.24 0.00 1.95 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 2.59 2.42 0.00 95 L 8.38 4.71 0.00 1.66 1.39 0.81 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.43 0.00 1.64 2.04 0.00 3.28 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 2.11 2.06 0.00 97 V 8.48 3.84 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 0.85 0.00 0.00 0.94 0.00 0.00 98 Y 8.02 4.40 0.00 3.13 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.73 4.68 0.00 1.79 2.00 0.00 3.38 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.39 0.00 100 P 0.00 4.45 0.00 2.57 2.56 0.00 3.77 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 101 E 8.24 3.64 0.00 1.50 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 102 F 8.55 4.98 0.00 3.18 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 0.00 103 A 8.56 5.25 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.48 5.10 0.00 2.70 2.89 0.00 0.00 7.01 8.07 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 0.00 105 D 7.85 4.69 0.00 2.61 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.19 3.51 0.94 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 1.11 0.26 -0.63 0.00 0.00 107 I 7.64 3.80 1.65 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 0.97 0.00 0.00 108 W 8.16 4.70 0.00 3.44 3.13 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 0.00 109 C 7.10 4.65 0.00 2.76 3.19 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 0.00 110 F 7.10 4.46 0.00 3.29 3.08 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 0.00 111 G 9.40 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.65 4.31 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 0.00 113 E 8.68 4.07 0.00 2.01 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 2.38 2.36 0.00 114 D 8.98 4.24 0.00 2.87 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 0.00 115 D 7.86 4.41 0.00 2.85 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 0.00 116 A 7.72 4.05 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 0.00 117 M 8.48 4.70 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 118 T 7.65 4.36 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 119 Y 8.55 4.47 0.00 3.13 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 0.00 120 H 7.92 4.54 0.00 3.19 3.22 0.00 5.87 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 6.53 5.01 0.00 3.06 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 0.00 122 T 8.97 5.39 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 1.47 0.00 0.00 123 I 8.82 4.35 2.00 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 1.38 0.92 0.93 0.00 0.00 124 S 8.27 4.91 0.00 3.76 3.76 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 0.00 125 P 0.00 4.40 0.00 2.15 2.11 0.00 3.72 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 1.92 0.00 126 I 8.03 4.29 1.84 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.41 1.06 0.00 0.00 127 V 8.92 4.34 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 0.61 0.00 0.00 0.95 0.00 0.00 128 G 7.40 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 0.00 0.00 0.00 129 K 8.61 4.84 0.00 1.64 1.67 0.00 1.53 0.00 0.00 1.14 0.00 0.00 2.65 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.40 1.32 7.81 130 A 8.02 4.28 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 0.00 131 S 8.83 4.62 0.00 3.95 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.