NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *10 C 4.5662 8.1876 117.6255 57.6081 28.8608 173.5124 11 P 4.3662 0.0000 0.0000 62.6299 33.0090 174.7774 12 L 4.9373 7.5054 122.7616 53.7493 45.1715 176.2078 13 M 4.9221 9.2335 125.5868 53.7136 36.2516 173.7617 14 V 4.8506 8.2840 123.7134 60.9222 34.9439 174.1020 15 K 4.9801 9.0248 127.9564 54.5869 35.6862 174.7943 16 V 4.7692 8.8839 126.6878 61.0980 34.5459 174.1468 17 L 5.0498 8.9447 127.4439 52.9892 45.3942 174.9899 18 D 5.1334 9.1278 121.7678 52.7816 42.1145 176.7484 19 A 4.2502 9.2833 129.1362 54.1385 18.4759 178.5631 20 V 3.9290 8.7532 115.0678 64.6708 31.9333 176.8952 21 R 4.3943 8.4568 115.7286 54.9764 31.8153 175.5244 22 G 3.9365 8.2114 106.2088 45.9927 0.0000 172.4215 23 S 4.8650 7.2952 112.1106 55.6586 67.4951 173.2336 24 P 4.5505 0.0000 0.0000 63.1815 31.8251 175.7282 25 A 4.4056 8.7555 124.6283 51.0724 19.7049 176.1874 26 I 4.3128 8.3584 122.7865 60.8780 39.3201 175.6077 27 N 4.2066 8.5168 121.1862 54.3979 36.5466 174.3543 28 V 4.1120 7.7584 118.3509 61.8086 33.0374 174.9764 29 A 4.5676 8.5583 129.8535 51.8948 20.0652 176.0896 30 V 4.7248 8.7792 121.2373 61.3786 34.9766 173.9079 31 H 5.0734 9.4038 124.9261 53.8403 31.9973 172.8119 32 V 4.8322 8.7778 122.7838 61.1437 34.0328 174.3493 33 F 5.5644 9.3831 125.6726 55.7447 42.8981 173.9457 34 R 4.7522 9.2474 121.8713 54.2316 32.9028 174.5868 35 K 3.8988 8.5009 127.9010 55.8143 32.8389 176.8210 36 A 4.2608 8.4998 130.8439 50.6042 20.0090 177.6738 37 A 3.8742 8.4128 121.7918 55.5321 18.0240 178.5318 38 D 4.3687 8.0032 115.1589 54.4729 39.6867 177.9913 *39 D 4.6843 7.9825 118.5351 53.3383 38.8128 179.2676 40 T 4.3164 6.8573 108.6466 61.4891 71.0463 173.9825 41 W 4.7338 8.6285 125.4392 56.9212 30.0656 176.1361 42 E 4.9472 9.2852 123.4628 53.9712 31.8358 170.4110 43 P 4.4909 0.0000 0.0000 62.8997 31.4669 175.6090 44 F 4.8095 8.7574 124.5276 59.4839 41.9597 174.7332 45 A 4.4764 7.7365 116.4848 51.6249 22.1575 175.1299 46 S 4.6125 7.6945 113.1859 57.5146 66.1887 173.5443 47 G 3.9308 7.4492 104.9103 46.5007 0.0000 171.7973 48 K 5.3199 8.4411 118.2501 54.3103 35.4625 176.8732 49 T 4.2974 8.6680 114.1389 61.6859 70.3879 174.6904 50 S 4.6064 9.0405 121.4578 57.9258 64.4690 175.4323 51 E 4.1245 8.6755 115.7582 58.5033 27.9638 174.4345 52 S 4.5095 8.1484 110.4460 58.3342 63.5083 175.5618 53 G 3.6548 8.6126 109.7873 45.3363 0.0000 172.8240 54 E 5.0921 7.4146 117.2766 54.1305 33.2509 175.0589 55 L 4.8802 8.7392 123.9099 53.9509 44.6625 175.1347 56 H 4.9153 8.8403 122.9180 54.4025 31.7794 174.5889 57 G 3.8974 8.7337 105.9988 46.5911 0.0000 175.1713 58 L 3.9893 7.9158 121.7642 57.4402 41.7383 176.5151 59 T 4.4613 7.2933 110.2213 61.2961 70.4689 171.5195 60 T 4.7035 8.2062 113.9324 59.7907 71.6942 175.3123 61 E 4.0990 8.9902 118.0306 59.2386 29.7596 178.6243 62 E 4.2096 8.2863 119.0211 58.8283 29.8445 177.4776 63 E 4.3644 8.0266 116.6597 57.9628 30.2995 177.0926 64 F 4.8867 8.0549 123.0194 56.9932 37.6510 174.9955 65 V 4.0482 7.4250 117.1843 59.6205 33.1699 175.9594 66 E 4.1408 8.0101 120.3934 55.7826 30.1264 177.4566 67 G 3.7207 7.8172 108.1631 46.6955 0.0000 170.2294 68 I 4.8725 7.1390 120.0305 59.8526 39.0742 175.0076 69 Y 5.2160 8.6798 124.3829 55.9025 41.8768 174.4958 70 K 4.7318 9.0659 122.8142 54.6154 35.3451 174.7774 71 V 4.7853 9.2104 127.9756 61.3891 33.5939 173.9409 72 E 5.0904 9.6728 128.2042 54.6185 32.2819 174.9202 73 I 4.6447 8.6612 125.5917 59.5614 39.6889 175.7180 74 D 4.9346 8.7901 129.6599 53.5131 38.0710 177.1878 75 T 3.9788 7.7822 114.3260 64.2485 69.4382 176.6535 76 K 4.0881 8.1267 122.0227 59.7183 32.3603 178.8644 77 S 4.1904 8.1416 114.7610 61.2320 62.3502 176.3613 78 F 4.0468 7.7704 122.2247 61.2213 39.1013 177.3375 79 W 4.2287 8.2667 118.6009 59.5306 28.5695 178.7420 80 K 4.0047 8.1949 117.7364 59.4608 31.5869 178.8591 81 A 4.0826 7.8610 119.9006 55.0321 18.2640 179.2037 82 L 4.1703 7.0936 115.4785 56.1525 41.9012 178.0282 83 G 4.1772 7.9287 106.0305 45.1790 0.0000 172.9213 84 I 4.3796 7.5501 120.0663 58.7782 38.9694 175.3533 85 S 4.1957 8.7665 121.0414 57.7100 62.5850 171.6640 86 P 4.6415 0.0000 0.0000 61.4406 33.1606 175.5086 87 F 3.9490 8.1239 121.5563 60.8767 39.5253 176.1215 88 H 4.3314 7.7821 116.0721 55.1121 29.4760 175.5639 89 E 4.0422 8.5983 122.4196 59.6816 29.5195 176.2711 90 H 4.9352 7.6618 110.4268 55.9150 31.3409 172.7784 91 A 4.4028 8.5526 120.4599 50.1936 21.1029 175.8779 92 E 5.0720 8.7019 119.7492 54.4755 33.2584 175.4324 93 V 4.4457 9.0049 124.3112 61.2147 34.2500 174.1121 94 V 5.0782 8.5576 128.2070 61.1488 33.5058 174.4523 95 F 5.1163 8.9732 121.4376 56.3258 41.7025 172.8436 96 T 4.9745 8.7074 116.6034 62.2371 69.4525 174.2723 97 A 4.5639 9.3374 131.7260 52.1339 19.8981 176.5625 98 N 5.2979 8.9728 121.0980 51.3648 40.8720 172.1098 99 D 4.4282 9.8987 123.8743 56.2623 41.6713 177.7872 *100 S 4.2446 7.8904 117.6188 57.6595 63.9635 179.5439 101 G 3.8676 8.0157 109.7011 44.4967 0.0000 171.3631 102 P 4.5405 0.0000 0.0000 63.0306 31.8151 176.7928 103 R 4.8948 8.5701 123.0518 55.7968 34.4668 175.0480 104 R 4.8546 9.5016 123.7335 55.2492 33.2208 172.8424 105 Y 4.8843 9.0132 121.2953 55.8385 40.6856 174.8025 106 T 4.8642 8.9034 121.8938 61.8368 71.4246 173.4590 107 I 4.6591 8.7540 128.6687 60.0411 38.5371 174.7730 108 A 5.2304 9.0411 129.7279 50.1591 21.9471 175.2037 109 A 5.0868 8.9083 121.4889 50.0720 22.8925 174.7594 110 L 5.0350 9.2135 124.8831 53.2773 44.6065 174.8991 111 L 5.3068 8.9798 126.6628 53.3559 44.0881 175.8664 112 S 5.2229 9.4273 118.9365 56.0239 66.9270 173.4762 113 P 3.1615 0.0000 0.0000 65.1505 31.1088 177.8336 114 Y 4.7519 7.8530 111.9829 57.1612 38.8619 174.9567 115 S 4.7434 7.8866 114.2388 57.2497 65.7194 172.4819 116 Y 5.6113 7.9403 123.5390 55.5409 41.2834 174.0280 117 S 4.9414 9.2721 114.3557 56.9500 66.7447 172.7159 118 T 5.2531 8.4732 114.5215 60.9378 70.5816 172.9842 119 T 4.7973 8.9716 123.2046 61.7595 73.0305 172.4433 120 A 4.9777 8.6121 126.7958 50.3297 21.0425 176.1923 121 V 4.1410 8.9300 123.3948 61.1264 33.7317 174.5704 122 V 4.6405 8.3098 128.6415 61.3391 33.1879 174.3490 123 T 4.5791 8.5654 119.7994 60.4625 73.1329 174.7144 *124 N 4.5163 8.5430 117.1981 52.6027 38.3815 172.2436 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 C 8.19 4.57 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 11 P 0.00 4.37 0.00 2.32 2.44 0.00 3.54 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 1.85 2.10 0.00 12 L 7.51 4.94 0.00 0.51 1.11 0.82 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.23 4.92 0.00 1.96 1.75 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.58 0.00 14 V 8.28 4.85 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 0.91 0.00 0.00 0.89 0.00 0.00 15 K 9.02 4.98 0.00 1.75 1.52 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.30 7.81 16 V 8.88 4.77 1.86 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 0.68 0.00 0.00 0.78 0.00 0.00 17 L 8.94 5.05 0.00 1.58 1.53 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.13 5.13 0.00 2.71 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 19 A 9.28 4.25 1.48 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 0.00 0.00 20 V 8.75 3.93 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 0.93 0.00 0.00 1.00 0.00 0.00 21 R 8.46 4.39 0.00 1.91 2.00 0.00 3.45 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.98 0.00 22 G 8.21 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 23 S 7.30 4.86 0.00 3.88 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 24 P 0.00 4.55 0.00 2.12 2.18 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 25 A 8.76 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.36 4.31 1.90 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 1.57 0.83 0.93 0.00 0.00 27 N 8.52 4.21 0.00 3.17 2.93 0.00 0.00 6.88 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 28 V 7.76 4.11 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 0.81 0.00 0.00 0.59 0.00 0.00 29 A 8.56 4.57 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 30 V 8.78 4.72 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.90 0.00 0.00 31 H 9.40 5.07 0.00 3.01 2.64 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.78 4.83 2.32 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 1.29 0.00 0.00 0.94 0.00 0.00 33 F 9.38 5.56 0.00 3.03 3.29 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 34 R 9.25 4.75 0.00 1.41 1.70 0.00 2.74 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 35 K 8.50 3.90 0.00 1.21 1.19 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.45 1.27 7.81 36 A 8.50 4.26 1.18 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 37 A 8.41 3.87 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.00 4.37 0.00 2.90 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 *39 D 7.98 4.68 0.00 2.91 2.80 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 40 T 6.86 4.32 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 1.15 0.00 0.00 41 W 8.63 4.73 0.00 3.00 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 42 E 9.29 4.95 0.00 1.63 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 2.15 2.13 0.00 43 P 0.00 4.49 0.00 2.00 2.06 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.41 0.00 44 F 8.76 4.81 0.00 3.07 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 45 A 7.74 4.48 1.14 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 0.00 0.00 46 S 7.69 4.61 0.00 3.69 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 47 G 7.45 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 0.00 0.00 0.00 48 K 8.44 5.32 0.00 1.83 1.65 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.32 0.96 7.81 49 T 8.67 4.30 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 1.14 0.00 0.00 50 S 9.04 4.61 0.00 3.99 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 0.00 51 E 8.68 4.12 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.88 0.00 52 S 8.15 4.51 0.00 4.03 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.61 3.65 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 0.00 0.00 0.00 54 E 7.41 5.09 0.00 1.92 1.64 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 2.16 2.38 0.00 55 L 8.74 4.88 0.00 1.61 1.40 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.84 4.92 0.00 2.99 3.17 0.00 6.05 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 57 G 8.73 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 58 L 7.92 3.99 0.00 1.56 1.70 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.29 4.46 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 1.01 0.00 0.00 60 T 8.21 4.70 4.27 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 1.21 0.00 0.00 61 E 8.99 4.10 0.00 2.01 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 0.00 2.24 1.89 0.00 62 E 8.29 4.21 0.00 1.96 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 2.34 2.37 0.00 63 E 8.03 4.36 0.00 2.39 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 2.32 2.11 0.00 64 F 8.05 4.89 0.00 3.09 3.04 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 65 V 7.42 4.05 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 0.82 0.00 0.00 0.95 0.00 0.00 66 E 8.01 4.14 0.00 1.81 1.86 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 2.41 2.16 0.00 67 G 7.82 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 68 I 7.14 4.87 1.67 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.60 1.09 0.00 0.00 69 Y 8.68 5.22 0.00 1.86 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.07 4.73 0.00 0.79 0.80 0.00 0.61 0.00 0.00 1.11 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 0.93 7.81 71 V 9.21 4.79 2.20 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 1.02 0.00 0.00 1.16 0.00 0.00 72 E 9.67 5.09 0.00 2.00 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 2.08 2.29 0.00 73 I 8.66 4.64 1.72 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.67 0.75 0.00 0.00 74 D 8.79 4.93 0.00 2.78 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 75 T 7.78 3.98 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 1.14 0.00 0.00 76 K 8.13 4.09 0.00 2.09 1.90 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.61 7.81 77 S 8.14 4.19 0.00 3.95 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 78 F 7.77 4.05 0.00 2.87 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 79 W 8.27 4.23 0.00 3.51 3.38 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 80 K 8.19 4.00 0.00 2.21 1.90 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.33 7.81 81 A 7.86 4.08 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 82 L 7.09 4.17 0.00 1.82 1.74 0.44 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.93 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 84 I 7.55 4.38 2.00 0.00 0.00 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 1.36 0.82 0.74 0.00 0.00 85 S 8.77 4.20 0.00 3.88 3.89 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 86 P 0.00 4.64 0.00 2.30 2.18 0.00 3.83 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 87 F 8.12 3.95 0.00 1.51 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 7.78 4.33 0.00 3.29 3.45 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.60 4.04 0.00 1.75 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 90 H 7.66 4.94 0.00 3.25 3.24 0.00 5.11 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 91 A 8.55 4.40 0.26 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 92 E 8.70 5.07 0.00 2.13 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 2.19 1.83 0.00 93 V 9.00 4.45 2.22 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 1.10 0.00 0.00 0.99 0.00 0.00 94 V 8.56 5.08 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 1.09 0.00 0.00 0.87 0.00 0.00 95 F 8.97 5.12 0.00 3.19 3.16 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 96 T 8.71 4.97 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 1.31 0.00 0.00 97 A 9.34 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.97 5.30 0.00 2.49 2.54 0.00 0.00 7.07 8.16 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 99 D 9.90 4.43 0.00 2.80 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 *100 S 7.89 4.24 0.00 3.60 3.68 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 0.00 101 G 8.02 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 0.00 102 P 0.00 4.54 0.00 1.96 2.02 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 2.04 2.14 0.00 103 R 8.57 4.89 0.00 2.03 1.64 0.00 3.27 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.20 0.00 104 R 9.50 4.85 0.00 1.42 1.75 0.00 3.22 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.00 105 Y 9.01 4.88 0.00 2.94 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 0.00 106 T 8.90 4.86 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 1.17 0.00 0.00 107 I 8.75 4.66 1.83 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.98 0.90 0.00 0.00 108 A 9.04 5.23 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 0.00 109 A 8.91 5.09 1.14 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 0.00 0.00 110 L 9.21 5.04 0.00 1.77 1.59 0.98 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.98 5.31 0.00 1.79 2.02 0.43 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.43 5.22 0.00 3.93 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 0.00 113 P 0.00 3.16 0.00 2.06 1.79 0.00 3.30 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.44 0.00 114 Y 7.85 4.75 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.89 4.74 0.00 3.80 3.70 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 0.00 116 Y 7.94 5.61 0.00 3.12 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 S 9.27 4.94 0.00 3.90 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 0.00 118 T 8.47 5.25 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 1.35 0.00 0.00 119 T 8.97 4.80 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 1.20 0.00 0.00 120 A 8.61 4.98 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 0.00 121 V 8.93 4.14 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 0.96 0.00 0.00 0.89 0.00 0.00 122 V 8.31 4.64 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 0.39 0.00 0.00 0.60 0.00 0.00 123 T 8.57 4.58 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 *124 N 8.54 4.52 0.00 2.50 2.67 0.00 0.00 6.47 7.56 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 * Residues marked with a * may have inaccurate shift predictions.