NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4591 8.1933 115.2919 57.8924 64.7174 175.6699 5 V 3.5123 7.7411 113.8087 63.6584 31.3934 176.2580 6 K 3.8627 8.8905 120.2778 59.6680 32.1943 178.1683 7 E 3.9521 8.0352 116.6513 59.5227 29.9653 178.7244 8 S 4.2980 8.0576 113.1574 61.5713 62.4555 176.4430 9 V 3.4919 8.3792 121.2462 65.9259 31.0259 178.0548 10 S 4.2292 8.0614 114.1371 60.8908 62.7064 175.8259 11 R 4.5182 7.4201 117.6312 54.8477 30.6199 176.1420 12 I 4.0841 7.0378 121.3870 59.7382 37.7634 174.2532 13 P 4.3607 0.0000 0.0000 62.6497 31.7288 176.4131 14 L 4.6173 8.3495 122.2452 54.4452 42.9598 175.9036 15 L 4.9539 8.6775 119.6495 53.2151 44.4420 177.6664 16 K 4.4865 9.2697 119.3259 56.9876 34.2445 177.0394 17 T 4.3404 7.9682 115.1949 61.6783 69.5590 174.4033 18 K 4.1776 8.4913 128.1293 55.4811 31.2781 175.1341 19 A 4.7736 8.1598 126.7706 50.9899 22.0241 175.1615 20 G 4.2184 9.6427 109.6615 42.5212 0.0000 172.4324 21 P 2.9700 0.0000 0.0000 64.8698 30.7784 178.0931 22 R 4.1137 7.6380 115.1923 57.4901 30.1579 176.9478 23 D 5.0599 8.5434 118.7115 53.7230 42.2886 177.3304 24 G 4.0744 7.4947 112.4996 46.6241 0.0000 176.9402 25 D 4.4471 9.0098 125.2505 56.4239 38.7285 178.1198 26 K 4.1127 7.9628 119.0341 58.7052 31.9286 179.1712 27 W 4.5084 8.2786 128.6094 60.7599 30.6436 178.1446 28 T 3.5444 7.9931 115.0105 66.4351 67.8268 176.0658 29 A 3.9218 7.7197 122.1382 55.1653 18.2943 179.6402 30 R 3.7602 7.8469 116.9228 59.5309 30.1737 178.1817 31 L 3.1916 7.6264 120.9957 57.9881 41.8003 178.9114 32 K 3.7993 7.7650 119.1939 59.5142 32.0422 178.6891 33 E 4.0246 7.8896 119.0933 59.0517 29.2428 178.8590 34 E 3.9936 8.2750 119.7291 59.6917 29.7043 178.5960 35 Y 4.4702 8.3531 116.9405 61.1614 38.0396 178.3775 36 A 4.0676 8.3098 121.8222 55.1161 18.4527 179.7331 37 S 4.1099 8.4553 111.8251 61.4285 62.4815 176.2892 38 L 4.1984 8.3283 121.9308 58.0070 41.3752 179.3772 39 I 3.7242 8.0457 119.7526 64.8973 37.0866 178.6190 40 T 3.7908 7.8623 115.9267 66.8085 68.2930 176.1493 41 Y 4.3695 8.2510 121.4811 60.7073 38.7213 178.2772 42 V 3.1766 8.2280 119.5828 65.9122 31.5946 177.7726 43 E 3.8970 8.2743 118.4502 59.7918 29.4022 179.1659 44 H 4.3171 8.2723 116.1045 58.8853 28.7110 177.5406 45 N 4.4366 8.1271 119.5751 55.7528 38.3548 177.5432 46 K 3.8900 8.2666 119.8296 59.5468 31.9570 179.3508 47 A 4.0963 8.1641 119.8243 54.0547 18.2447 178.7459 48 S 4.6066 7.6772 110.5960 57.2770 63.6775 173.6721 49 D 4.5190 8.2447 120.2460 56.2497 38.3408 174.0584 50 S 4.8199 8.7035 110.1086 57.9843 63.8175 172.9462 51 H 4.3390 8.5687 120.7061 57.3831 30.0233 174.7344 52 W 3.8745 7.5911 119.9224 55.5346 30.5642 173.8285 53 F 4.6565 5.8017 113.6979 55.8015 40.7360 173.1085 54 H 5.0100 9.5939 119.4340 54.7230 32.8151 172.0688 55 L 5.5651 8.6910 124.6286 53.0105 45.6461 175.2424 56 E 4.7136 8.9992 119.2901 54.8157 33.6539 174.0067 57 S 4.2020 7.5074 113.4917 56.1497 66.3669 173.1558 58 N 4.5925 8.2852 118.0949 51.7414 37.7034 174.3916 59 P 4.2593 0.0000 0.0000 65.5711 30.7909 177.6800 60 Q 4.2797 8.1987 115.2879 55.7439 29.0911 176.9563 61 G 3.9604 8.0696 106.1684 46.3838 0.0000 174.4744 62 T 4.6522 7.6845 111.5422 61.9115 71.0384 174.4904 63 R 4.9886 8.4284 121.9016 54.0970 33.2966 174.7349 64 W 4.6721 9.0907 124.1186 55.0122 32.7520 174.1660 65 Y 4.9478 7.2703 119.4901 55.6600 40.6650 174.9208 66 G 4.2451 7.7768 106.2166 46.6125 0.0000 171.0796 67 T 5.2577 8.2377 111.9492 60.2131 72.8676 173.1336 68 C 5.5158 9.3128 116.2858 56.7961 33.7161 172.4861 69 W 5.8480 8.7486 116.1834 56.1116 31.3895 173.2596 70 T 4.9472 9.0506 113.6815 61.2580 71.0915 171.5325 71 Y 5.3132 8.8863 122.1542 56.3868 40.4345 174.7796 72 Y 4.8712 9.4703 125.5436 56.9744 41.7389 175.4477 73 K 3.5846 9.3462 127.1255 57.7523 29.6382 174.9483 74 N 4.4105 8.3178 110.0992 53.7585 36.7408 174.1061 75 E 4.6869 8.2767 118.8500 54.2492 32.2826 175.2254 76 K 4.0659 8.2985 125.6633 55.9836 33.5679 175.4801 77 Y 4.4354 8.9467 124.2841 56.2177 41.1413 173.8776 78 E 5.0363 8.4930 125.2252 54.4047 32.0966 174.9387 79 F 5.3517 9.2976 123.8253 55.6355 43.2702 174.6418 80 E 4.9728 10.0529 122.4274 55.7710 31.1353 175.3302 *82 N 4.9169 8.4953 116.9174 53.3841 39.1691 173.4188 83 F 5.2710 8.5238 114.1300 56.0014 41.6338 172.7080 84 D 5.3579 8.8089 120.7666 53.2023 42.7553 175.9633 85 I 4.2472 9.0246 124.7536 59.6898 37.9097 174.5283 86 P 4.5426 0.0000 0.0000 61.8936 32.1787 177.7529 87 V 3.5770 8.3051 119.0415 64.3641 31.5275 176.9349 88 T 4.4248 7.7603 109.5327 61.2795 69.3568 173.7900 89 Y 4.8007 8.1298 123.6979 56.9066 39.2447 174.7693 90 P 3.4336 0.0000 0.0000 63.5846 32.1671 177.0768 91 Q 4.0334 8.2920 120.2202 59.0964 28.8259 176.2123 92 A 4.4920 8.2712 122.6356 50.2706 19.1706 175.2710 93 P 4.2834 0.0000 0.0000 61.5196 32.1902 174.6049 94 P 4.4223 0.0000 0.0000 62.7015 32.0213 175.2842 95 E 4.4424 8.4564 118.9086 54.7523 31.1039 175.5441 96 I 4.4874 8.0384 124.6827 60.1540 38.7041 174.4819 97 A 4.7292 8.8700 130.1012 50.8115 20.4652 177.1649 98 L 4.8361 8.3206 121.8116 50.9643 42.3717 175.5794 99 P 4.2817 0.0000 0.0000 65.2653 31.8226 178.5856 100 E 4.2154 8.2172 115.7641 58.1170 29.7869 177.2350 101 L 4.4039 7.8177 118.2665 54.4891 42.4470 176.1674 102 E 4.1390 7.5919 120.6253 57.5679 29.8769 176.4982 103 G 3.9876 9.1161 114.3594 45.1317 0.0000 173.9511 104 K 4.0151 7.5244 116.4069 56.4286 33.0731 176.0191 105 T 4.6942 7.3626 111.8341 60.6025 70.3343 173.5918 106 V 4.0335 8.2318 118.1786 62.2240 32.7137 177.4844 107 K 4.1639 7.8747 121.9497 54.9488 30.6225 175.1129 *109 Y 4.6566 7.4703 118.8034 56.9583 39.4786 174.9286 110 R 4.1535 8.6865 122.7158 57.5024 30.5592 175.1898 111 G 3.9798 9.5410 117.1942 47.0225 0.0000 173.6910 112 G 3.4424 7.8414 108.3710 44.6564 0.0000 173.0001 113 K 4.9085 7.7959 121.2178 55.0155 33.0415 176.9357 114 I 3.4748 8.1185 119.3768 61.1014 38.0790 175.4526 115 C 4.4271 8.3161 125.4056 58.5322 33.2759 172.6875 *117 T 4.2443 8.1281 110.2721 61.3552 69.2603 175.0063 118 T 4.1726 8.5888 118.0798 65.6087 67.7413 175.8086 119 H 4.4159 8.4074 118.1768 58.2396 28.6575 177.2518 120 F 4.1279 8.2368 123.0963 61.2385 39.1015 177.1961 121 F 4.1386 7.7723 117.5836 59.9889 38.8966 175.8486 122 P 4.2597 0.0000 0.0000 65.4798 31.0013 178.0612 123 L 3.8681 7.3291 117.7402 58.0106 42.2469 178.4648 124 W 3.9697 8.3085 127.9345 60.4921 30.7256 177.4703 125 A 4.0079 8.2831 120.9583 55.1930 17.6113 179.2112 126 R 4.1426 7.5678 111.2799 57.4783 30.2490 177.3898 127 N 4.4615 7.1835 116.7319 51.7036 38.8462 174.3776 128 V 3.2395 6.2494 120.6043 62.2016 30.5739 173.7805 129 P 4.3208 0.0000 0.0000 62.6951 31.5214 176.8806 130 Y 4.9103 7.0572 118.5790 59.8468 38.0914 175.5628 131 F 5.0143 6.8324 117.3571 55.9541 41.1703 175.9640 132 G 4.8275 8.3197 112.0526 45.0816 0.0000 173.2791 133 I 3.6409 9.7260 119.9911 64.3098 36.8901 178.3607 134 S 4.0784 8.0437 114.7199 61.9681 62.8226 176.2850 135 H 3.9032 8.0945 119.5921 58.1439 28.4399 177.7543 136 V 3.7749 7.9833 120.1444 65.9162 31.2262 178.1015 137 L 3.9196 7.7660 118.3737 57.9524 41.3328 179.4554 138 A 4.2678 8.1713 119.4111 54.4132 18.3298 178.6035 139 L 4.7272 8.1349 115.2923 55.1772 43.7382 177.3473 140 G 3.4989 8.0552 104.3041 46.1664 0.0000 175.5788 141 L 4.0220 7.5093 121.8839 57.1506 42.4611 179.2697 142 G 3.1136 8.2793 105.8129 47.3778 0.0000 173.7495 143 P 4.1879 0.0000 0.0000 64.6259 31.4002 178.2534 144 W 3.9964 8.0005 126.6492 60.5471 30.6188 177.6166 145 L 4.1754 8.7895 118.9714 58.3523 41.0077 179.5761 146 S 4.0489 8.0853 111.5205 60.8776 61.1283 175.3357 147 I 3.9499 7.2694 120.1620 63.0546 38.2025 177.3334 148 E 3.8195 7.7949 117.9627 58.3308 29.2029 179.1035 149 V 3.5210 7.2326 117.9117 65.3087 31.9475 175.6676 150 P 3.0503 0.0000 0.0000 64.9890 30.8773 179.2390 151 A 3.6916 6.7836 117.2018 52.8911 18.1046 179.2374 *153 V 3.9612 7.8779 120.7967 64.4147 33.1022 177.6014 154 E 4.0754 7.9996 117.9473 58.9266 29.3262 177.5428 155 E 3.8558 7.6272 116.5584 56.1418 29.6404 177.4556 156 G 3.8788 7.7999 107.1925 46.0400 0.0000 174.2692 157 Y 4.6893 7.5814 116.0123 58.9249 38.3990 175.4859 158 L 4.9222 7.8432 121.6782 53.3840 45.2832 176.6580 159 K 4.7001 8.6091 124.0253 52.3982 33.4777 172.6113 160 P 3.8864 0.0000 0.0000 62.9746 31.1408 176.6012 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 4 S 8.19 4.46 0.00 3.88 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 5 V 7.74 3.51 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.94 0.00 0.00 6 K 8.89 3.86 0.00 1.83 1.83 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.57 7.81 7 E 8.04 3.95 0.00 2.14 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 2.33 2.38 0.00 8 S 8.06 4.30 0.00 4.02 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 9 V 8.38 3.49 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 0.86 0.00 0.00 0.94 0.00 0.00 10 S 8.06 4.23 0.00 4.11 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 11 R 7.42 4.52 0.00 1.96 1.91 0.00 3.02 0.00 0.00 3.18 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 12 I 7.04 4.08 1.68 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.54 0.56 0.00 0.00 13 P 0.00 4.36 0.00 2.09 2.04 0.00 3.72 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 14 L 8.35 4.62 0.00 1.70 1.73 0.89 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.68 4.95 0.00 1.90 1.71 1.16 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 16 K 9.27 4.49 0.00 1.72 1.87 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.41 7.81 17 T 7.97 4.34 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 1.30 0.00 0.00 18 K 8.49 4.18 0.00 1.60 1.72 0.00 1.60 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.46 7.81 19 A 8.16 4.77 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 20 G 9.64 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 0.00 0.00 0.00 0.00 21 P 0.00 2.97 0.00 1.66 1.53 0.00 3.34 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.12 0.00 22 R 7.64 4.11 0.00 1.81 1.92 0.00 3.08 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 23 D 8.54 5.06 0.00 2.92 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.49 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 0.00 0.00 0.00 0.00 25 D 9.01 4.45 0.00 2.91 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 26 K 7.96 4.11 0.00 2.03 1.98 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.63 7.81 27 W 8.28 4.51 0.00 3.63 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 28 T 7.99 3.54 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 29 A 7.72 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 30 R 7.85 3.76 0.00 2.02 2.06 0.00 3.20 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.61 0.00 31 L 7.63 3.19 0.00 0.76 1.12 0.65 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.76 3.80 0.00 1.87 1.84 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.49 7.81 33 E 7.89 4.02 0.00 2.16 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 2.34 2.42 0.00 34 E 8.27 3.99 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 2.41 2.52 0.00 35 Y 8.35 4.47 0.00 3.12 2.93 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 36 A 8.31 4.07 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 0.00 0.00 0.00 0.00 0.00 37 S 8.46 4.11 0.00 4.05 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 38 L 8.33 4.20 0.00 2.15 1.88 1.02 1.23 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 39 I 8.05 3.72 2.15 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 1.53 0.75 0.92 0.00 0.00 40 T 7.86 3.79 4.42 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 1.18 0.00 0.00 41 Y 8.25 4.37 0.00 3.04 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.23 3.18 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 0.82 0.00 0.00 0.71 0.00 0.00 43 E 8.27 3.90 0.00 2.12 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 2.29 2.48 0.00 44 H 8.27 4.32 0.00 3.45 3.40 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.13 4.44 0.00 2.70 2.96 0.00 0.00 6.58 7.27 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 46 K 8.27 3.89 0.00 1.85 1.81 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.65 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.30 1.35 7.81 47 A 8.16 4.10 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 48 S 7.68 4.61 0.00 4.09 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 49 D 8.24 4.52 0.00 2.84 2.79 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 50 S 8.70 4.82 0.00 3.99 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 0.00 51 H 8.57 4.34 0.00 3.08 3.45 0.00 5.88 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 W 7.59 3.87 0.00 3.26 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 53 F 5.80 4.66 0.00 2.70 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 9.59 5.01 0.00 3.52 3.42 0.00 5.72 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.69 5.57 0.00 1.75 1.79 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.00 4.71 0.00 1.75 1.88 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 1.93 2.09 0.00 57 S 7.51 4.20 0.00 2.72 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 58 N 8.29 4.59 0.00 3.00 3.03 0.00 0.00 7.40 7.78 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 59 P 0.00 4.26 0.00 2.10 2.17 0.00 3.92 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 2.04 2.00 0.00 60 Q 8.20 4.28 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.11 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 61 G 8.07 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 62 T 7.68 4.65 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 1.24 0.00 0.00 63 R 8.43 4.99 0.00 1.84 1.95 0.00 3.14 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.93 0.00 64 W 9.09 4.67 0.00 1.78 2.33 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 65 Y 7.27 4.95 0.00 3.08 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.78 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 0.00 0.00 0.00 0.00 67 T 8.24 5.26 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 68 C 9.31 5.52 0.00 3.33 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 69 W 8.75 5.85 0.00 3.23 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 70 T 9.05 4.95 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 1.47 0.00 0.00 71 Y 8.89 5.31 0.00 3.00 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 72 Y 9.47 4.87 0.00 3.01 3.07 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 0.00 73 K 9.35 3.58 0.00 1.48 1.64 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.06 0.53 7.81 74 N 8.32 4.41 0.00 2.90 2.97 0.00 0.00 7.03 7.66 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 75 E 8.28 4.69 0.00 2.03 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 2.43 2.40 0.00 76 K 8.30 4.07 0.00 1.12 1.32 0.00 1.34 0.00 0.00 1.12 0.00 0.00 2.46 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.03 0.77 7.81 77 Y 8.95 4.44 0.00 2.84 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 78 E 8.49 5.04 0.00 1.79 1.68 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 2.29 2.61 0.00 79 F 9.30 5.35 0.00 3.18 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 80 E 10.05 4.97 0.00 1.95 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 2.79 2.32 0.00 *82 N 8.50 4.92 0.00 3.11 3.10 0.00 0.00 5.46 8.12 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 83 F 8.52 5.27 0.00 3.06 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 84 D 8.81 5.36 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 85 I 9.02 4.25 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.20 0.45 0.00 0.00 86 P 0.00 4.54 0.00 2.26 2.19 0.00 3.73 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.01 0.00 87 V 8.31 3.58 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 0.75 0.00 0.00 0.88 0.00 0.00 88 T 7.76 4.42 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 89 Y 8.13 4.80 0.00 3.11 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 90 P 0.00 3.43 0.00 1.86 1.51 0.00 3.80 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 1.80 1.77 0.00 91 Q 8.29 4.03 0.00 2.04 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 92 A 8.27 4.49 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 93 P 0.00 4.28 0.00 1.72 0.49 0.00 3.82 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 2.06 1.68 0.00 94 P 0.00 4.42 0.00 2.01 2.11 0.00 3.39 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 95 E 8.46 4.44 0.00 1.96 1.90 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 2.24 2.29 0.00 96 I 8.04 4.49 1.62 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.27 0.85 0.00 0.00 97 A 8.87 4.73 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 98 L 8.32 4.84 0.00 1.34 1.45 0.62 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.28 0.00 2.21 2.11 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 100 E 8.22 4.22 0.00 2.12 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 0.00 2.40 2.42 0.00 101 L 7.82 4.40 0.00 1.79 1.71 0.48 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 102 E 7.59 4.14 0.00 1.93 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 2.31 2.26 0.00 103 G 9.12 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 0.00 104 K 7.52 4.02 0.00 1.84 1.77 0.00 1.37 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 0.92 7.81 105 T 7.36 4.69 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 1.45 0.00 0.00 106 V 8.23 4.03 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 0.77 0.00 0.00 0.90 0.00 0.00 107 K 7.87 4.16 0.00 1.79 1.86 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.66 7.81 *109 Y 7.47 4.66 0.00 3.13 2.86 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 0.00 110 R 8.69 4.15 0.00 1.81 1.91 0.00 3.23 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 111 G 9.54 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 0.00 112 G 7.84 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.80 4.91 0.00 1.86 1.80 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.40 7.81 114 I 8.12 3.47 0.56 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.15 -0.44 0.00 0.00 115 C 8.32 4.43 0.00 2.77 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 *117 T 8.13 4.24 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 1.26 0.00 0.00 118 T 8.59 4.17 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 119 H 8.41 4.42 0.00 3.29 3.41 0.00 5.68 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.24 4.13 0.00 3.03 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 7.77 4.14 0.00 3.32 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 0.00 122 P 0.00 4.26 0.00 2.19 2.13 0.00 3.88 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 123 L 7.33 3.87 0.00 1.66 1.91 0.96 1.19 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 0.00 124 W 8.31 3.97 0.00 2.61 2.86 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 0.00 125 A 8.28 4.01 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 0.00 0.00 0.00 0.00 0.00 126 R 7.57 4.14 0.00 1.92 1.98 0.00 2.99 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.51 0.00 127 N 7.18 4.46 0.00 1.53 1.42 0.00 0.00 6.50 6.99 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 0.00 128 V 6.25 3.24 1.76 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 0.49 0.00 0.00 0.60 0.00 0.00 129 P 0.00 4.32 0.00 2.00 1.94 0.00 2.20 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 130 Y 7.06 4.91 0.00 2.92 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 0.00 131 F 6.83 5.01 0.00 1.89 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 0.00 132 G 8.32 4.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 9.73 3.64 1.77 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.53 0.43 0.00 0.00 134 S 8.04 4.08 0.00 3.83 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 H 8.09 3.90 0.00 3.46 3.08 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.98 3.77 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 0.61 0.00 0.00 0.85 0.00 0.00 137 L 7.77 3.92 0.00 1.89 1.59 0.09 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.17 4.27 1.09 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 0.00 0.00 139 L 8.13 4.73 0.00 2.02 1.98 0.97 0.73 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 0.00 140 G 8.06 3.50 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 0.00 0.00 0.00 141 L 7.51 4.02 0.00 1.70 1.99 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.28 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 0.00 0.00 0.00 143 P 0.00 4.19 0.00 2.18 2.10 0.00 3.65 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 2.23 2.12 0.00 144 W 8.00 4.00 0.00 3.47 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 0.00 145 L 8.79 4.18 0.00 1.88 1.85 1.27 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.09 4.05 0.00 3.74 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 0.00 147 I 7.27 3.95 1.73 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 1.37 1.39 0.76 0.00 0.00 148 E 7.79 3.82 0.00 1.16 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 1.47 1.47 0.00 149 V 7.23 3.52 2.14 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 0.74 0.00 0.00 1.09 0.00 0.00 150 P 0.00 3.05 0.00 1.80 1.24 0.00 3.40 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.70 0.00 151 A 6.78 3.69 1.17 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 0.00 0.00 *153 V 7.88 3.96 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 1.19 0.00 0.00 0.27 0.00 0.00 154 E 8.00 4.08 0.00 2.09 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 2.58 2.44 0.00 155 E 7.63 3.86 0.00 1.36 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 2.12 2.21 0.00 156 G 7.80 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 0.00 157 Y 7.58 4.69 0.00 2.99 2.91 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 0.00 158 L 7.84 4.92 0.00 1.65 1.78 1.10 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.61 4.70 0.00 1.77 1.58 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.30 1.01 7.81 160 P 0.00 3.89 0.00 1.87 1.72 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 * Residues marked with a * may have inaccurate shift predictions.