NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3645 8.1876 119.7059 54.4525 31.1270 174.5976 3 Q 3.5782 7.0594 113.7713 53.4781 31.2257 171.0983 4 S 4.4084 7.7273 115.4207 56.7095 65.1204 174.5774 5 E 3.9730 8.6683 121.2493 56.9201 29.3996 176.8081 6 H 4.3071 8.6599 119.4827 57.4037 29.1990 175.8667 7 F 4.7923 7.7645 116.9209 55.5103 42.1219 174.3604 8 S 4.4148 8.0699 118.9599 56.6175 66.9000 173.4140 9 F 5.0912 8.4607 121.7541 55.4265 41.1282 176.4058 10 G 4.0133 9.2620 115.3899 48.7340 0.0000 173.8060 11 E 4.3603 8.2780 116.4525 57.1084 30.1597 176.7731 12 Q 4.5250 7.9089 116.6222 57.2021 30.9221 176.6654 13 T 3.9507 8.3069 114.7869 63.4574 68.8697 173.6697 14 E 3.9959 8.8188 127.4500 56.3303 30.2645 175.5438 15 I 4.4989 8.1631 126.7946 59.8282 38.8437 174.5007 16 E 4.3584 9.3449 129.8407 54.5716 30.9944 174.5005 17 D 4.7506 8.7976 127.8968 54.0596 41.6583 175.4173 18 I 4.2436 8.3850 120.3746 60.1855 37.8498 175.7375 19 G 3.8858 8.6776 111.4105 46.7298 0.0000 175.1211 20 G 3.8132 8.9764 105.9049 45.7942 0.0000 174.8978 21 G 3.9715 8.1034 106.0651 45.3489 0.0000 172.8776 22 L 5.1174 7.3754 118.8365 52.6324 44.2589 175.8410 23 K 5.1658 8.8488 120.9465 54.6724 36.4920 175.2182 24 R 5.1892 9.2695 123.7490 54.4403 33.2302 173.1695 25 Q 4.6578 9.0427 128.2277 55.8336 32.1772 176.9425 *27 L 4.3184 8.8503 113.7759 52.3894 44.0088 177.5141 28 G 4.7480 6.9823 110.3531 46.3109 0.0000 172.0331 29 F 5.3394 8.0025 117.0166 56.1404 41.3341 173.3375 30 N 5.5116 8.8722 116.2296 50.6562 39.9498 174.2326 31 H 4.3301 9.1018 111.8527 58.3317 28.5668 175.9879 32 E 4.5421 8.2718 115.6969 55.6316 30.7620 174.4236 33 L 5.0518 7.9060 119.8344 53.4212 46.7182 173.9578 *35 A 4.6563 8.3663 121.3854 51.9682 19.9572 176.2054 36 V 4.7755 8.8582 114.9816 59.4000 36.7624 174.3888 37 K 4.7562 8.9141 123.7588 54.7405 34.5141 174.7181 38 I 5.1334 8.7837 128.4831 59.4344 40.1096 174.4994 39 W 5.1284 9.5958 127.9800 55.6476 30.8924 175.3312 40 F 4.9799 9.8215 125.0940 55.9784 39.5656 175.7227 41 D 4.9115 9.1980 124.5459 53.9598 42.2575 176.4562 42 K 4.1460 8.6034 120.2199 58.2348 32.2686 177.8736 43 G 3.8743 9.5318 112.4395 45.4113 0.0000 173.4037 44 A 4.3741 8.1212 122.1860 51.8860 19.7921 176.3765 45 E 5.1001 8.1850 121.3727 54.5389 33.3120 175.7802 46 G 3.8893 10.1888 115.0691 44.4466 0.0000 172.1379 47 Y 4.5501 7.9834 123.7686 56.0209 38.4321 177.0080 48 V 4.6259 8.7036 123.3633 62.7236 32.5948 174.4853 49 H 4.6951 8.1384 120.3341 55.4696 30.8866 172.4677 50 A 5.0722 8.5111 120.0687 50.9486 22.5065 174.5726 51 H 4.8214 8.1932 112.7883 54.7250 31.2322 175.1415 52 R 3.2437 8.7339 116.2026 59.2416 29.6035 177.2788 53 H 4.2741 8.0814 114.4863 56.2878 29.2322 175.9145 54 S 4.5135 8.7950 118.4477 58.9063 64.4167 173.1084 55 Q 4.8144 8.8947 122.4760 54.4989 32.5205 173.8043 56 V 4.8400 8.8418 125.9577 61.1897 34.9802 174.3094 57 S 4.8706 8.7987 122.7491 56.6530 66.8214 172.2854 58 Y 5.0365 8.5317 123.4801 55.7876 42.2908 174.3159 59 V 3.7679 7.8135 127.0876 61.6928 32.1290 176.5320 60 V 3.6197 8.1134 128.9775 65.3338 31.7484 175.7706 61 E 4.6280 8.0434 116.2115 56.1852 32.9049 173.0650 62 G 3.7995 8.5817 106.2178 44.2402 0.0000 171.9531 63 E 4.9745 8.2771 118.6973 54.4458 30.8556 176.1230 64 F 4.6352 9.9782 124.0228 55.8138 42.2019 174.6137 65 H 4.9745 8.7220 121.4447 55.2394 29.4675 174.1975 66 V 4.5583 9.0143 124.7913 60.8343 33.9249 173.7145 67 N 5.2239 8.8322 127.1344 52.1981 40.7754 173.6261 68 V 4.5405 8.1414 125.9844 61.2756 34.6237 174.8557 69 D 4.1139 10.5107 129.7086 55.3485 39.9651 174.7417 70 G 3.9725 8.5584 106.3211 44.9245 0.0000 174.5992 71 V 4.0199 7.4710 120.7117 62.3286 32.9153 174.7596 72 I 5.1277 8.2836 127.5331 59.5386 39.8809 174.9958 73 K 4.6781 8.8909 125.0299 54.5417 36.8649 175.4966 74 V 4.5104 8.4075 123.1783 62.2952 31.8544 175.0189 75 L 4.8747 9.9323 128.5354 53.3256 45.0574 175.5789 76 T 5.6273 8.8856 115.9847 58.5274 71.7400 172.3626 77 A 4.1281 8.5763 124.8101 54.2901 18.2985 177.9787 78 G 4.0563 8.9268 112.1668 44.5039 0.0000 172.9473 79 D 5.0664 7.6199 119.8340 53.1763 43.4869 175.2784 80 S 5.1810 8.3430 113.5326 57.2096 66.5118 172.8190 81 F 5.1803 8.6212 114.5097 55.1503 41.7268 173.2005 82 F 5.3795 8.9290 121.2980 56.5598 42.0940 174.1114 83 V 3.8964 8.3990 126.6925 60.2936 32.9283 173.2936 84 P 4.4816 0.0000 0.0000 61.6537 32.5896 174.4590 85 P 4.4701 0.0000 0.0000 64.7997 31.6308 176.4295 86 H 4.1261 9.4115 118.5810 56.3406 27.1103 175.0268 87 V 4.0865 7.3035 119.1751 62.0452 32.4377 175.6187 88 D 4.8714 8.6155 126.7535 54.9297 42.0644 174.8702 89 H 5.0662 8.6884 116.1445 55.3088 32.3538 172.6380 90 G 4.3798 8.9935 106.2982 46.1731 0.0000 171.8366 91 A 5.1852 8.8940 120.8050 50.5167 23.0961 175.4852 92 V 4.5047 8.7563 122.0676 61.3830 34.6068 174.1898 93 C 4.4771 8.8205 127.7147 56.4407 31.5488 171.9995 94 P 4.1757 0.0000 0.0000 64.9288 31.3106 177.2195 95 T 4.0669 7.8660 106.7416 61.0518 69.6222 175.5750 96 G 4.1155 7.4442 107.1569 45.2390 0.0000 174.1785 97 G 3.9344 7.0880 105.6199 45.5459 0.0000 170.9831 98 I 5.1457 8.4934 119.8220 59.8588 41.7803 174.6194 99 L 4.9282 8.8834 125.8596 52.8505 45.6627 175.3105 100 I 4.7763 8.3222 122.3342 59.7821 39.6440 174.2341 101 D 4.9476 8.9109 127.6990 52.5375 43.1835 175.4578 102 T 4.7189 8.4462 114.1017 59.6887 71.3258 173.0185 103 F 5.8657 8.6172 122.2226 54.7210 43.2085 173.5292 104 S 5.3960 8.9073 117.5489 54.7939 64.4966 171.6047 105 P 4.7283 0.0000 0.0000 62.4273 31.6294 175.4413 106 A 4.1840 8.7938 121.8891 52.1113 19.3583 178.6045 107 R 3.5802 8.1963 119.0208 54.7761 28.8679 177.2608 108 E 3.9080 8.3349 125.4524 58.5531 29.9406 178.4344 109 D 4.4228 7.7136 116.7398 55.1647 39.6170 176.6127 110 F 4.9035 7.9650 117.8636 57.3448 39.5325 175.9505 111 V 3.8816 7.3059 126.2682 62.8366 31.2697 175.0720 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 Q 8.19 4.36 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 3 Q 7.06 3.58 0.00 1.84 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.94 0.00 0.00 0.00 0.00 0.00 2.06 2.25 0.00 4 S 7.73 4.41 0.00 3.85 3.81 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 5 E 8.67 3.97 0.00 1.96 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 0.00 2.36 2.44 0.00 6 H 8.66 4.31 0.00 2.96 2.82 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.76 4.79 0.00 2.87 2.45 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 0.00 8 S 8.07 4.41 0.00 3.83 3.66 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 9 F 8.46 5.09 0.00 3.14 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 10 G 9.26 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 11 E 8.28 4.36 0.00 2.02 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 0.00 2.36 2.30 0.00 12 Q 7.91 4.53 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 13 T 8.31 3.95 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 1.30 0.00 0.00 14 E 8.82 4.00 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 15 I 8.16 4.50 1.62 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.84 0.49 0.00 0.00 16 E 9.34 4.36 0.00 2.16 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 2.21 2.22 0.00 17 D 8.80 4.75 0.00 2.67 2.56 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 18 I 8.39 4.24 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.81 0.90 0.00 0.00 19 G 8.68 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 0.00 0.00 0.00 20 G 8.98 3.81 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 0.00 0.00 0.00 21 G 8.10 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 22 L 7.38 5.12 0.00 1.65 1.40 0.54 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.85 5.17 0.00 1.81 1.64 0.00 1.56 0.00 0.00 1.44 0.00 0.00 2.74 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.25 1.32 7.81 24 R 9.27 5.19 0.00 1.73 1.65 0.00 2.77 0.00 0.00 2.78 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 25 Q 9.04 4.66 0.00 2.60 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.15 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 *27 L 8.85 4.32 0.00 1.80 1.78 0.91 0.84 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 28 G 6.98 4.75 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 0.00 0.00 0.00 29 F 8.00 5.34 0.00 3.25 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 30 N 8.87 5.51 0.00 2.85 2.86 0.00 0.00 6.63 7.91 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 31 H 9.10 4.33 0.00 3.37 3.65 0.00 5.40 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.27 4.54 0.00 2.04 1.61 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 2.16 2.12 0.00 33 L 7.91 5.05 0.00 1.77 1.65 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 8.37 4.66 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 36 V 8.86 4.78 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 0.85 0.00 0.00 1.11 0.00 0.00 37 K 8.91 4.76 0.00 1.69 1.38 0.00 1.28 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.55 1.06 7.81 38 I 8.78 5.13 2.18 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 1.28 1.12 0.95 0.00 0.00 39 W 9.60 5.13 0.00 3.35 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 40 F 9.82 4.98 0.00 2.96 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 41 D 9.20 4.91 0.00 2.68 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 42 K 8.60 4.15 0.00 1.75 1.93 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.46 7.81 43 G 9.53 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 44 A 8.12 4.37 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 45 E 8.18 5.10 0.00 2.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 46 G 10.19 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 0.00 0.00 0.00 47 Y 7.98 4.55 0.00 3.10 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.70 4.63 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.96 0.00 0.00 49 H 8.14 4.70 0.00 3.28 3.46 0.00 5.45 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 50 A 8.51 5.07 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 51 H 8.19 4.82 0.00 3.29 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.73 3.24 0.00 1.84 2.06 0.00 2.99 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.39 0.00 53 H 8.08 4.27 0.00 2.97 3.39 0.00 5.90 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 54 S 8.79 4.51 0.00 3.91 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 55 Q 8.89 4.81 0.00 2.20 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 1.94 1.77 0.00 56 V 8.84 4.84 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 0.92 0.00 0.00 0.90 0.00 0.00 57 S 8.80 4.87 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 Y 8.53 5.04 0.00 2.86 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 59 V 7.81 3.77 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 0.83 0.00 0.00 0.76 0.00 0.00 60 V 8.11 3.62 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 0.96 0.00 0.00 61 E 8.04 4.63 0.00 2.05 1.98 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 2.28 2.33 0.00 62 G 8.58 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 63 E 8.28 4.97 0.00 1.66 1.74 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 2.16 2.32 0.00 64 F 9.98 4.64 0.00 2.98 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 65 H 8.72 4.97 0.00 3.10 3.21 0.00 5.57 0.00 0.00 0.00 0.00 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 9.01 4.56 1.74 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 -0.17 0.00 0.00 0.58 0.00 0.00 67 N 8.83 5.22 0.00 2.77 2.75 0.00 0.00 6.20 7.87 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 68 V 8.14 4.54 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 0.88 0.00 0.00 0.87 0.00 0.00 69 D 10.51 4.11 0.00 2.67 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 70 G 8.56 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 71 V 7.47 4.02 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 0.92 0.00 0.00 0.92 0.00 0.00 72 I 8.28 5.13 1.84 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 1.32 0.77 0.87 0.00 0.00 73 K 8.89 4.68 0.00 1.61 1.62 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.34 7.81 74 V 8.41 4.51 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 0.81 0.00 0.00 0.98 0.00 0.00 75 L 9.93 4.87 0.00 1.67 1.53 1.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.89 5.63 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 1.25 0.00 0.00 77 A 8.58 4.13 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.93 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 0.00 0.00 0.00 79 D 7.62 5.07 0.00 2.67 2.61 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 80 S 8.34 5.18 0.00 3.95 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 81 F 8.62 5.18 0.00 3.04 3.05 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 82 F 8.93 5.38 0.00 2.86 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 83 V 8.40 3.90 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 0.71 0.00 0.00 0.92 0.00 0.00 84 P 0.00 4.48 0.00 1.97 1.89 0.00 3.28 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.48 0.00 85 P 0.00 4.47 0.00 2.03 2.08 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.22 0.00 86 H 9.41 4.13 0.00 3.21 3.42 0.00 5.84 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 87 V 7.30 4.09 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 0.69 0.00 0.00 0.88 0.00 0.00 88 D 8.62 4.87 0.00 2.64 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 89 H 8.69 5.07 0.00 3.26 3.32 0.00 5.30 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 90 G 8.99 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 0.00 0.00 0.00 0.00 91 A 8.89 5.19 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 92 V 8.76 4.50 2.16 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 0.97 0.00 0.00 1.00 0.00 0.00 93 C 8.82 4.48 0.00 2.45 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 94 P 0.00 4.18 0.00 1.86 2.05 0.00 3.61 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.97 0.00 95 T 7.87 4.07 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 1.11 0.00 0.00 96 G 7.44 4.12 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 0.00 0.00 0.00 97 G 7.09 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 98 I 8.49 5.15 1.77 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 0.73 1.16 0.49 0.00 0.00 99 L 8.88 4.93 0.00 1.48 1.34 0.71 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.32 4.78 1.89 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 1.15 0.63 0.90 0.00 0.00 101 D 8.91 4.95 0.00 2.63 2.23 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 0.00 102 T 8.45 4.72 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 1.11 0.00 0.00 103 F 8.62 5.87 0.00 2.91 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.91 5.40 0.00 3.90 3.74 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 0.00 105 P 0.00 4.73 0.00 2.12 2.11 0.00 3.84 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 1.91 1.95 0.00 106 A 8.79 4.18 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 0.00 107 R 8.20 3.58 0.00 0.90 0.66 0.00 2.21 0.00 0.00 2.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 108 E 8.33 3.91 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 109 D 7.71 4.42 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 7.97 4.90 0.00 2.87 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 0.00 111 V 7.31 3.88 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 0.79 0.00 0.00 0.34 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.