NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6833 8.4244 117.7836 52.0073 39.4016 172.5379 3 S 4.2274 8.3526 109.6945 58.7930 62.9693 172.3485 4 L 4.2295 8.5105 128.2497 54.1680 42.9578 176.0504 5 E 4.0533 9.0496 127.8063 59.2517 29.9480 177.4858 6 K 4.7077 7.5888 116.7182 52.9736 35.7633 177.0676 7 V 4.5163 8.0894 113.9598 59.6479 33.6942 176.3173 8 L 4.3265 8.4516 122.9150 56.9047 42.2468 176.7430 9 Y 4.7760 7.5780 117.0203 56.2985 41.6966 173.6878 10 T 4.1531 7.2489 121.9555 61.3152 71.0992 173.5522 11 A 4.1286 8.1761 129.7446 51.6369 19.7130 176.2780 12 I 4.6564 8.1468 121.7630 59.6475 40.7288 174.9519 13 V 4.9280 8.4566 118.9489 59.8977 36.1567 174.8517 14 T 4.6407 9.0664 119.8224 61.8197 71.0368 172.9324 15 A 5.3816 8.6834 128.3876 50.4392 21.3858 175.9101 16 T 4.3931 8.8391 111.2968 61.5564 71.8171 173.3961 17 G 4.1100 8.8678 115.9723 45.8332 0.0000 172.5631 18 G 4.0326 7.8473 105.6477 43.6447 0.0000 176.1050 19 R 3.7495 8.5738 120.0907 58.1489 30.2588 176.1912 20 D 5.0169 6.8888 117.4038 51.1828 41.8525 175.9756 21 G 4.2875 8.1603 119.7492 45.7607 0.0000 170.4910 22 S 5.1362 9.0020 120.2890 57.3709 67.1241 173.3773 23 V 4.9469 8.9031 119.7753 61.3334 35.1194 174.0084 24 V 4.9519 8.6976 126.9317 61.0258 34.6572 175.0406 25 S 4.8736 9.4387 123.2431 57.8124 63.9682 175.4854 26 S 4.0939 9.2003 116.8416 61.0055 62.6402 174.9853 27 D 4.6074 8.0531 117.5128 52.2248 39.5566 175.8202 28 N 4.2274 8.3957 116.6907 54.7007 38.1143 175.3136 29 V 3.7090 8.1771 111.4542 63.1039 32.0218 175.7845 30 L 4.6137 8.2676 122.7986 53.2338 44.0166 175.3632 31 N 5.3525 8.7573 125.2294 52.2613 40.7873 173.3858 32 V 4.6391 8.9161 118.8945 59.3479 36.3585 174.9788 33 K 4.9068 8.5319 121.6359 55.1029 34.5777 175.3327 34 L 5.3882 9.1451 123.2351 53.2174 44.8316 175.7751 35 S 4.8014 8.8204 117.8250 56.6694 67.0606 173.8444 36 V 3.9836 8.2296 123.1989 61.2495 32.4999 173.9564 37 P 4.6678 0.0000 0.0000 62.4872 32.1110 177.4655 38 Q 4.8063 8.2132 119.2117 58.5730 28.8590 179.3951 39 G 3.6926 8.1396 105.7179 47.9090 0.0000 173.8576 40 L 4.4607 7.9508 118.5753 54.4440 41.6304 177.3302 41 G 3.8405 8.5002 106.3958 45.8159 0.0000 174.4550 42 G 3.9608 7.5622 109.5411 43.4492 0.0000 172.8139 43 P 4.4242 0.0000 0.0000 62.6743 32.2160 177.8295 44 G 3.6811 7.4093 107.5584 45.4796 0.0000 172.0946 45 G 3.9677 7.9453 106.2266 44.3308 0.0000 173.3711 46 S 4.5834 8.2969 115.5422 58.0544 63.1657 174.0526 47 G 3.9705 7.6541 108.4221 46.1126 0.0000 174.3271 48 T 4.7045 8.4962 115.7254 61.9043 70.5111 172.6052 49 N 5.0961 8.4398 115.8361 50.6075 40.3960 173.7308 50 P 4.2600 0.0000 0.0000 65.9948 31.2985 178.8331 51 E 4.1329 8.1944 116.7101 59.5508 29.4250 179.2737 52 Q 4.0684 8.8599 118.5408 58.8629 28.7532 178.7964 53 L 4.0152 8.1936 120.1710 57.7380 41.6229 179.3887 54 F 4.3004 8.8139 120.8228 61.2604 39.3079 176.9039 55 A 3.7936 8.6822 120.5931 55.0219 18.1199 179.3935 56 A 3.9581 8.3941 119.6501 55.3311 18.2963 180.1340 57 G 3.2798 7.6341 102.6814 47.8453 0.0000 174.9645 58 Y 3.6731 7.4951 122.1210 60.3259 38.7101 178.2399 59 S 4.1114 8.2303 116.1317 61.4917 62.5624 177.2836 60 A 4.1724 7.7883 119.4600 53.1533 17.8240 178.7153 *62 F 4.6209 8.0229 124.6954 59.6319 41.4904 177.3096 63 I 3.9001 7.9182 121.2861 64.2829 36.7229 178.5935 64 G 3.6090 7.8519 105.0805 47.6959 0.0000 175.6038 65 A 3.9684 7.7677 122.7708 54.6888 18.3477 179.2835 66 L 3.7532 8.0253 119.2092 58.3217 42.2063 179.4117 67 K 3.9492 8.4205 118.8322 59.1979 31.8275 179.1587 68 F 4.0408 8.4565 121.2674 61.5468 39.3863 177.7351 69 V 3.4250 8.2317 111.9844 64.0263 31.2802 178.5248 70 A 3.9066 8.1652 120.8783 55.1820 18.2798 179.1948 71 N 4.1686 8.0821 115.5697 56.5866 38.7716 176.8706 72 K 3.6915 7.6473 120.2870 59.3639 32.3361 177.8059 73 E 4.2512 8.3730 118.1668 56.0810 29.7097 177.1350 74 K 3.8082 7.7399 119.4871 55.5120 29.7120 180.3819 75 V 4.2836 7.9750 120.5834 61.6167 32.4296 175.0460 76 D 4.4776 8.5106 127.6803 54.0618 41.2972 175.8433 77 L 4.4127 8.3149 123.6215 52.9857 42.2376 175.9500 78 P 4.1276 0.0000 0.0000 64.4535 31.6183 175.5840 79 A 4.4568 7.0164 119.8094 51.0840 22.3194 175.6869 80 E 4.0977 8.6123 119.8746 55.7223 29.9524 175.8779 81 P 4.7197 0.0000 0.0000 62.7398 32.6070 175.6748 82 R 4.5956 9.0910 122.4177 54.5624 33.4196 174.1371 83 V 4.7167 8.4259 125.4268 61.0355 34.0187 174.4653 84 E 4.1926 9.1956 131.5133 55.5009 30.2843 175.1639 85 G 4.7801 8.4011 114.5530 44.0272 0.0000 172.2787 86 R 4.8109 9.2260 122.9870 54.0519 34.0346 174.8082 87 V 4.7038 8.4813 122.1713 61.2724 33.9674 174.7933 88 G 4.2542 9.2686 116.0295 44.8736 0.0000 171.8325 89 I 5.2305 8.2865 121.3515 59.0905 40.9734 174.4355 90 G 4.4015 8.9975 115.0844 44.7809 0.0000 171.1041 91 E 4.5302 8.6528 119.4728 55.9684 30.2136 176.8436 92 I 4.5317 8.6075 116.0526 58.1283 40.9811 172.5508 93 P 4.3183 0.0000 0.0000 66.9750 30.4571 176.3158 94 G 4.0981 9.0040 111.2050 44.8431 0.0000 172.9202 95 G 4.2153 6.5260 110.0877 45.5833 0.0000 174.9387 96 F 5.3009 8.6775 122.5852 55.3608 42.2285 172.9699 97 G 4.3649 9.3353 107.3722 44.9290 0.0000 171.3070 98 L 5.6157 8.5179 119.4459 52.9235 44.7364 176.5138 99 V 4.6461 8.7000 119.3777 60.1598 35.2570 174.3149 100 V 4.9580 9.0009 122.6705 61.2455 34.9327 174.0389 101 E 4.9307 9.0671 125.7201 54.5719 33.3330 174.3969 102 L 4.6243 9.0063 125.1540 52.9217 44.2980 175.7972 103 R 4.7387 9.0389 124.5423 54.8108 31.8033 175.2292 104 I 4.8776 8.9209 126.0658 59.5269 39.3516 175.0340 105 A 5.1572 9.1329 128.2658 49.2806 22.7177 175.4998 106 V 4.4320 8.1378 119.3635 60.6583 33.8157 174.0896 107 S 4.2773 8.6458 122.5543 60.3509 63.0528 175.5389 108 G 3.9458 9.0388 113.6481 45.2840 0.0000 172.8156 109 M 4.3373 7.5732 119.4932 54.2395 33.2684 176.2211 110 E 4.1032 8.5825 125.0405 56.3493 31.4413 178.3172 111 R 3.9314 8.6913 122.7925 59.4571 30.2269 179.2697 112 S 4.1159 8.0891 113.3887 61.8471 62.7510 176.2301 113 M 3.9876 7.9386 121.4729 58.0911 32.1538 177.6686 114 L 3.9388 8.2109 120.8421 58.0938 42.1207 178.6817 115 Q 3.9636 8.6243 119.8419 59.5607 29.0334 178.3972 116 T 3.8855 7.8922 116.6569 66.7281 68.5004 176.6563 117 L 4.0053 8.1938 120.9935 57.7289 41.6511 179.6843 118 V 3.7956 8.4176 118.5649 66.2549 31.2664 177.8471 119 D 4.5007 8.3081 117.8483 57.3533 40.9476 178.6477 120 K 4.1766 8.2754 118.8977 59.3478 31.9936 179.2976 121 A 3.9323 8.5278 121.5819 55.3771 17.9802 179.1646 122 H 4.5898 8.4017 115.9129 59.6040 29.9880 177.4493 123 R 4.1108 7.8083 118.8950 58.2780 30.0283 177.7128 124 V 4.1039 7.4572 109.1233 61.2249 33.0530 175.5194 125 C 4.2264 8.2784 122.3310 58.6233 31.9371 172.1384 126 P 4.1156 0.0000 0.0000 66.1859 30.7621 178.2084 127 Y 3.6344 7.8084 114.6330 60.5677 37.5622 178.2832 128 S 4.8184 7.8043 117.3597 61.1334 62.9093 176.1851 129 N 4.3602 8.2294 118.2575 56.1653 38.3420 177.1084 130 A 4.1147 8.0353 121.7436 54.3024 18.8089 178.6771 131 T 4.4917 7.6179 105.9398 60.1710 69.3783 174.3648 132 R 3.9804 7.0907 122.7007 58.3671 30.2374 176.9740 133 G 4.0419 8.9070 112.2983 46.0697 0.0000 173.6613 134 N 4.6621 8.0446 116.3482 54.4049 39.4081 175.0214 135 I 4.7709 7.2589 108.4751 58.8686 41.1028 173.7836 136 D 4.6443 8.5191 120.7295 53.9761 42.1533 175.7533 137 V 4.6565 8.4583 123.0645 61.2097 33.5737 174.5728 138 V 4.0470 8.9599 129.8184 61.7338 32.8527 174.5771 139 L 4.7211 8.3991 128.4381 53.5061 42.8440 175.9072 140 I 4.4942 8.9842 125.8232 59.3029 40.2093 174.7537 141 L 4.9738 8.5515 127.0564 53.6526 42.8139 175.9834 142 I 4.5595 8.6155 117.8412 58.6773 40.7296 175.7363 143 D 4.5029 8.6064 122.7898 54.8445 40.6808 176.2873 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 2 N 8.42 4.68 0.00 2.76 2.73 0.00 0.00 6.65 6.76 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 3 S 8.35 4.23 0.00 3.89 3.77 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 4 L 8.51 4.23 0.00 1.65 1.58 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 5 E 9.05 4.05 0.00 1.89 1.96 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 2.28 2.35 0.00 6 K 7.59 4.71 0.00 1.75 1.49 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.25 1.02 7.81 7 V 8.09 4.52 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 0.87 0.00 0.00 0.89 0.00 0.00 8 L 8.45 4.33 0.00 1.69 1.77 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.58 4.78 0.00 2.89 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 10 T 7.25 4.15 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 1.07 0.00 0.00 11 A 8.18 4.13 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 12 I 8.15 4.66 1.84 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 1.27 0.76 0.89 0.00 0.00 13 V 8.46 4.93 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 0.76 0.00 0.00 0.95 0.00 0.00 14 T 9.07 4.64 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 15 A 8.68 5.38 1.20 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 0.00 0.00 0.00 16 T 8.84 4.39 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 17 G 8.87 4.11 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 18 G 7.85 4.03 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 0.00 0.00 0.00 19 R 8.57 3.75 0.00 1.77 1.97 0.00 3.04 0.00 0.00 3.04 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 20 D 6.89 5.02 0.00 2.43 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 21 G 8.16 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 0.00 0.00 0.00 0.00 22 S 9.00 5.14 0.00 3.97 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 23 V 8.90 4.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.94 0.00 0.00 24 V 8.70 4.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.00 0.00 0.00 25 S 9.44 4.87 0.00 3.93 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 26 S 9.20 4.09 0.00 3.95 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 27 D 8.05 4.61 0.00 2.81 2.84 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 28 N 8.40 4.23 0.00 2.83 2.93 0.00 0.00 7.14 7.44 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 29 V 8.18 3.71 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 0.81 0.00 0.00 1.13 0.00 0.00 30 L 8.27 4.61 0.00 1.76 1.54 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.76 5.35 0.00 2.71 2.67 0.00 0.00 7.02 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 32 V 8.92 4.64 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.99 0.00 0.00 33 K 8.53 4.91 0.00 1.67 1.70 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.40 7.81 34 L 9.15 5.39 0.00 1.56 1.70 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.82 4.80 0.00 3.68 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 36 V 8.23 3.98 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 0.97 0.00 0.00 0.94 0.00 0.00 37 P 0.00 4.67 0.00 2.21 1.95 0.00 3.62 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 38 Q 8.21 4.81 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.89 0.00 0.00 0.00 0.00 0.00 2.59 2.33 0.00 39 G 8.14 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.95 4.46 0.00 1.73 1.59 0.80 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.50 3.84 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 0.00 42 G 7.56 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 43 P 0.00 4.42 0.00 2.19 2.17 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 44 G 7.41 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 0.00 0.00 0.00 45 G 7.95 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.30 4.58 0.00 3.98 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 47 G 7.65 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.50 4.70 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 1.29 0.00 0.00 49 N 8.44 5.10 0.00 2.83 3.01 0.00 0.00 5.98 7.76 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 50 P 0.00 4.26 0.00 2.16 2.14 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 51 E 8.19 4.13 0.00 2.26 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 0.00 2.43 2.51 0.00 52 Q 8.86 4.07 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 53 L 8.19 4.02 0.00 1.91 1.78 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.81 4.30 0.00 3.14 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 55 A 8.68 3.79 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 56 A 8.39 3.96 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 57 G 7.63 3.28 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 0.00 58 Y 7.50 3.67 0.00 2.33 2.44 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 59 S 8.23 4.11 0.00 3.86 3.84 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 60 A 7.79 4.17 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 *62 F 8.02 4.62 0.00 3.36 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 63 I 7.92 3.90 2.09 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 1.52 0.77 0.93 0.00 0.00 64 G 7.85 3.61 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 0.00 65 A 7.77 3.97 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 66 L 8.03 3.75 0.00 1.70 1.83 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.42 3.95 0.00 1.99 1.86 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.63 7.81 68 F 8.46 4.04 0.00 3.18 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.23 3.43 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 0.95 0.00 0.00 1.08 0.00 0.00 70 A 8.17 3.91 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 71 N 8.08 4.17 0.00 2.69 2.84 0.00 0.00 6.91 6.24 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 72 K 7.65 3.69 0.00 1.13 1.68 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.31 7.81 73 E 8.37 4.25 0.00 1.89 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 2.50 2.43 0.00 74 K 7.74 3.81 0.00 1.94 1.74 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 1.23 7.81 75 V 7.98 4.28 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 0.93 0.00 0.00 0.94 0.00 0.00 76 D 8.51 4.48 0.00 2.70 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 77 L 8.31 4.41 0.00 1.70 1.77 0.92 1.00 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 78 P 0.00 4.13 0.00 2.26 2.17 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 79 A 7.02 4.46 1.22 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 80 E 8.61 4.10 0.00 1.97 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 2.31 2.28 0.00 81 P 0.00 4.72 0.00 1.96 2.02 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 82 R 9.09 4.60 0.00 1.82 1.72 0.00 3.02 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 83 V 8.43 4.72 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 0.72 0.00 0.00 1.06 0.00 0.00 84 E 9.20 4.19 0.00 2.05 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 85 G 8.40 4.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 9.23 4.81 0.00 1.63 1.76 0.00 3.19 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 87 V 8.48 4.70 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 0.99 0.00 0.00 1.16 0.00 0.00 88 G 9.27 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 89 I 8.29 5.23 1.90 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 1.40 1.27 0.92 0.00 0.00 90 G 9.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.65 4.53 0.00 1.74 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 1.72 2.17 0.00 92 I 8.61 4.53 1.85 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 1.22 0.64 0.94 0.00 0.00 93 P 0.00 4.32 0.00 2.04 2.06 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 94 G 9.00 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 0.00 0.00 0.00 95 G 6.53 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 96 F 8.68 5.30 0.00 2.85 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 97 G 9.34 4.36 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 0.00 98 L 8.52 5.62 0.00 1.56 1.65 0.74 0.84 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 99 V 8.70 4.65 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 0.96 0.00 0.00 0.95 0.00 0.00 100 V 9.00 4.96 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 0.65 0.00 0.00 1.25 0.00 0.00 101 E 9.07 4.93 0.00 1.82 1.69 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 2.16 2.21 0.00 102 L 9.01 4.62 0.00 0.96 0.97 -0.37 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.04 4.74 0.00 1.76 1.81 0.00 3.05 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 104 I 8.92 4.88 1.91 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.57 1.02 0.00 0.00 105 A 9.13 5.16 1.22 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 0.00 106 V 8.14 4.43 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.96 0.00 0.00 107 S 8.65 4.28 0.00 3.90 3.83 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 0.00 108 G 9.04 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 7.57 4.34 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 110 E 8.58 4.10 0.00 2.02 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 2.40 2.35 0.00 111 R 8.69 3.93 0.00 1.82 1.99 0.00 3.30 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 112 S 8.09 4.12 0.00 4.05 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 0.00 113 M 7.94 3.99 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.65 0.00 114 L 8.21 3.94 0.00 1.79 1.81 0.96 0.97 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 0.00 115 Q 8.62 3.96 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 116 T 7.89 3.89 4.41 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 1.22 0.00 0.00 117 L 8.19 4.01 0.00 1.83 1.72 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.42 3.80 2.36 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 1.20 0.00 0.00 1.13 0.00 0.00 119 D 8.31 4.50 0.00 2.87 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 0.00 120 K 8.28 4.18 0.00 1.99 1.89 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.61 7.81 121 A 8.53 3.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 8.40 4.59 0.00 3.59 3.68 0.00 5.78 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 7.81 4.11 0.00 2.06 2.00 0.00 3.23 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 124 V 7.46 4.10 1.96 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 0.73 0.00 0.00 1.03 0.00 0.00 125 C 8.28 4.23 0.00 3.18 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 0.00 126 P 0.00 4.12 0.00 1.93 1.88 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 127 Y 7.81 3.63 0.00 2.24 1.75 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 0.00 128 S 7.80 4.82 0.00 4.24 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 0.00 129 N 8.23 4.36 0.00 2.76 2.84 0.00 0.00 7.03 6.97 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 0.00 130 A 8.04 4.11 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 0.00 131 T 7.62 4.49 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 1.51 0.00 0.00 132 R 7.09 3.98 0.00 1.97 1.93 0.00 3.40 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 133 G 8.91 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 0.00 134 N 8.04 4.66 0.00 2.92 2.90 0.00 0.00 6.69 7.37 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 0.00 135 I 7.26 4.77 2.09 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.78 1.00 0.00 0.00 136 D 8.52 4.64 0.00 2.65 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 0.00 137 V 8.46 4.66 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 0.65 0.00 0.00 1.17 0.00 0.00 138 V 8.96 4.05 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 0.85 0.00 0.00 0.91 0.00 0.00 139 L 8.40 4.72 0.00 1.50 1.50 0.90 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.98 4.49 1.80 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 1.18 0.70 0.88 0.00 0.00 141 L 8.55 4.97 0.00 1.52 1.60 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.62 4.56 1.85 0.00 0.00 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 1.28 0.94 0.88 0.00 0.00 143 D 8.61 4.50 0.00 2.68 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 * Residues marked with a * may have inaccurate shift predictions.