NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 46 N 4.7967 8.2833 118.2234 52.3528 38.5665 174.9612 47 L 3.9672 8.2815 117.6807 56.6905 41.3600 177.9511 48 Y 4.0625 8.4095 119.7372 60.6076 39.3574 176.9644 49 F 4.0742 8.9452 124.1369 62.0078 39.5240 177.7983 50 Q 4.1942 8.4516 120.4054 60.3723 27.8518 180.5563 51 S 4.3250 7.7242 115.9026 61.6736 62.7891 176.7477 52 M 3.8861 8.0467 124.1378 58.6843 31.4949 179.2712 53 R 3.7559 7.6403 120.8041 61.7100 29.5156 180.4379 54 N 4.4588 8.1843 116.9874 56.0200 38.5959 177.1358 55 F 4.0052 8.4044 122.1584 61.4823 39.4686 177.0693 56 S 3.8900 8.5162 117.2826 62.5023 62.7099 177.5186 57 E 3.9268 8.2272 120.7701 60.7404 29.1681 180.5601 58 D 4.3238 7.6681 117.3692 57.3770 41.5500 178.0306 59 V 2.0000 6.7805 118.4710 65.4533 31.3791 178.0934 60 L 4.0283 7.5904 118.6107 57.5214 41.4087 179.4255 61 G 3.8337 7.9164 105.8243 47.9228 0.0000 175.6255 62 W 4.5429 7.7400 120.4157 58.9923 29.1274 177.6687 63 R 4.4025 7.7683 113.0693 56.6294 29.4660 177.7040 64 E 4.2825 8.0834 120.2525 58.2060 30.0701 176.6775 65 S 4.7333 7.1487 110.6720 55.7986 65.8097 175.0607 66 F 3.5464 8.5461 123.9123 61.1579 39.0019 177.2972 67 D 4.0599 7.8575 118.3358 57.2084 40.4196 178.5361 68 L 4.2731 7.8809 120.2102 56.9161 41.8969 179.0838 69 L 3.7777 7.4195 119.8682 58.1890 41.8683 179.2076 70 L 3.5465 7.1928 117.7001 56.9652 41.5422 178.7488 71 S 4.5052 7.9112 112.6453 57.8336 63.2756 173.1182 72 S 4.9036 7.3813 118.7225 56.1571 64.2674 174.3836 73 K 3.8918 8.8488 128.5927 59.8303 31.8170 178.3321 74 N 4.6299 8.3003 116.2836 55.7851 38.7212 177.4202 75 G 2.1444 8.5830 107.5955 47.5671 0.0000 176.1860 76 V 3.5784 7.8244 114.9963 63.5373 31.5533 178.5644 77 A 3.9642 7.9342 120.4536 54.9304 18.1898 179.5533 78 A 4.0422 8.0352 119.4207 55.4674 18.4914 179.5967 79 F 3.8049 8.1636 119.5712 61.4935 39.3050 176.8054 80 H 3.9013 8.5690 117.9034 59.1829 29.4975 176.9454 81 A 4.0407 7.8905 121.2524 55.3281 18.3228 179.1259 82 F 4.3402 8.2525 118.9949 61.4868 39.4659 177.5199 83 L 3.5048 7.9529 118.7719 57.2283 41.2355 179.4467 84 K 4.0551 8.0221 120.3194 59.0106 31.7509 179.2700 85 T 3.5569 7.0670 108.5955 63.5568 68.6974 175.4752 86 E 4.1028 7.0437 118.8297 54.5670 30.5621 175.3542 87 F 3.7997 6.9196 116.5719 59.0080 37.1838 175.6142 88 S 4.6311 8.2057 111.0524 56.8826 64.1789 174.8266 89 E 3.9437 8.0282 118.6401 59.4167 29.3044 178.3661 90 E 4.1538 8.3029 118.6363 59.4621 29.3311 178.8367 91 N 4.4033 8.0730 117.0512 56.2886 38.6412 177.0661 92 L 4.0630 7.8720 121.1509 58.1542 42.2953 178.3995 93 E 4.0414 8.4931 118.7620 59.4726 29.4700 179.2398 94 F 2.9377 8.1645 120.5593 60.5771 39.4727 176.7472 95 W 3.5741 8.1110 127.9958 60.5389 30.4331 177.9278 96 L 3.8992 8.5056 118.9236 57.4734 41.0335 179.2845 97 A 3.8999 7.8074 120.7797 55.3421 18.2314 179.3682 98 C 3.8140 7.3368 115.0436 62.8400 27.8563 176.1591 99 E 3.6088 7.0562 118.6460 59.4126 29.3959 178.9940 100 E 4.0483 7.9488 118.3967 59.3688 29.4920 179.2700 101 F 4.1075 8.2599 120.6055 61.2633 39.2811 177.1195 102 K 3.7732 8.2017 117.1748 59.4143 31.8815 178.6912 103 K 4.1587 7.6316 116.7820 56.9119 32.3257 177.3255 104 I 3.8181 7.0688 121.2691 61.2202 37.3344 176.0634 105 R 4.2229 8.3270 123.7723 57.2975 31.3339 177.4820 106 S 4.2146 7.8155 112.9261 57.6601 63.7557 174.2982 107 A 4.0229 8.6459 131.1979 55.5684 18.1550 179.7850 108 T 3.9147 7.8102 107.7943 64.9136 69.0505 177.0389 109 K 4.0097 8.0785 121.2785 58.8874 31.9324 179.3740 110 L 3.9072 8.3988 119.6833 57.7878 41.5953 179.4375 111 A 4.2037 8.0868 120.7240 55.1143 18.2054 179.6217 112 S 4.1236 8.4427 111.9368 61.7408 62.5463 176.4809 113 R 4.0758 8.6793 121.6089 59.2414 29.7282 178.3286 114 A 4.2664 8.7106 121.0094 55.5935 18.4534 179.1579 115 H 4.2037 8.4232 114.7344 59.2013 28.8777 178.0804 116 Q 4.0664 8.0349 119.4545 59.0866 28.7523 178.8352 117 I 3.8579 8.2854 121.1755 64.3076 37.0568 178.0257 118 F 4.1909 8.7263 121.8223 61.7853 39.0287 177.2081 119 E 3.9251 8.3585 116.1757 58.9704 29.4067 178.5120 120 E 3.8881 7.9283 119.1458 57.9854 29.6228 177.8192 121 F 4.7839 7.9498 113.9165 55.4868 41.5432 176.3977 122 I 3.8582 7.5181 120.0496 62.2173 38.9666 176.2586 123 C 3.9569 6.7466 113.8184 56.9960 30.3141 172.6992 124 S 4.0903 8.3326 115.5753 60.1319 62.2045 173.9236 125 E 3.7326 9.0925 125.0285 56.8600 27.3324 174.5069 126 A 4.0208 7.8006 122.1398 51.5733 18.7349 177.2929 127 P 4.3725 0.0000 0.0000 64.7890 31.5618 176.6634 128 K 4.6584 7.8024 119.8065 55.2615 32.8470 175.9917 129 E 4.0985 8.4043 120.5977 57.0986 29.9986 176.8402 130 V 4.0634 8.4094 120.5681 60.2922 33.3760 176.6721 131 N 4.6162 8.5883 122.2138 52.4229 37.0860 173.8338 132 I 4.6967 7.4089 114.8304 57.5787 41.4430 176.1088 133 D 4.7147 8.2483 121.0682 52.7087 41.7971 176.7927 134 H 4.0894 8.6672 118.9814 59.4387 29.7589 176.8077 135 E 3.8951 8.1618 120.4576 59.6535 29.7389 178.4983 136 T 3.8982 8.1596 115.8072 66.7311 68.4490 176.4824 137 R 3.9763 8.0671 120.3161 59.5908 30.2080 178.4589 138 E 3.9930 8.3036 118.4665 59.3586 29.2018 179.3296 139 L 3.9866 8.0810 118.4376 58.0080 42.0144 179.5074 140 T 3.8748 7.8542 115.1861 66.6217 68.5604 176.3423 141 R 3.1109 8.2707 121.0137 59.9177 29.7717 178.1437 142 M 4.1599 7.8549 115.7247 57.1642 31.9043 177.3119 143 N 4.6659 7.6365 115.2176 52.9354 38.8723 176.8215 144 L 3.8169 7.3188 121.0538 57.8701 41.9414 178.6933 145 Q 4.1993 8.0889 116.2894 58.5807 28.7574 177.3636 146 T 4.5282 7.4745 106.3240 60.7517 69.5064 174.5455 147 A 4.1302 8.3688 124.5560 53.2482 19.1050 177.7694 148 T 4.6072 8.1552 111.8755 59.2375 71.6098 174.7265 149 A 4.0071 8.4363 123.3307 54.8254 18.5323 178.2767 150 T 4.5188 7.7095 105.6135 61.6114 69.3130 176.0857 151 C 3.7594 8.0932 123.8778 62.4114 31.5620 174.9210 152 F 4.9096 7.8309 115.3873 57.2730 39.0298 176.9716 153 D 4.3349 8.1210 121.8213 57.3668 40.6077 178.6163 154 A 3.9950 8.0019 120.4135 55.1194 18.5164 179.1306 155 A 4.1062 8.2027 118.8089 55.6007 18.4458 179.3384 156 Q 3.9997 9.1532 119.0652 59.4470 29.2214 178.9008 157 G 3.6831 8.3567 106.6456 47.5955 0.0000 175.6876 158 K 4.0211 8.2582 120.8589 59.8798 32.1774 179.5701 159 T 4.0113 8.3607 115.9350 66.4765 68.2627 176.7233 160 R 3.9591 8.4947 120.9401 59.9617 30.1785 178.7987 161 T 3.8852 7.9666 115.0946 66.3320 67.9607 176.4139 162 L 4.0096 8.1355 121.1925 58.4890 41.6729 179.7354 163 M 4.1729 8.0824 118.1163 58.3381 31.7722 178.5079 164 E 2.9275 8.0055 118.7070 58.7564 29.7985 178.4448 165 K 4.0805 7.9697 118.8943 58.6244 32.3269 176.9086 166 D 4.6919 7.6310 115.2909 55.9896 42.5419 177.8140 167 S 4.6721 7.8327 114.4013 60.7417 63.6475 175.8217 168 Y 4.1841 8.2558 122.6469 60.4964 38.2195 176.6918 169 P 3.9166 0.0000 0.0000 65.3627 31.5580 178.4391 170 R 4.1063 7.9118 116.5129 58.5411 30.1744 178.3900 171 F 2.7033 8.2764 121.0520 61.0164 39.1580 177.3287 172 L 3.4672 7.2696 116.2525 56.7011 41.3869 178.6331 173 K 4.2606 7.1420 116.6319 55.6196 32.9085 177.2330 174 S 4.3482 7.0700 115.5466 57.3313 63.9280 173.7236 175 P 4.1927 0.0000 0.0000 65.6231 31.0591 178.9033 176 A 4.0346 7.9594 119.3178 55.3125 18.3686 178.9416 177 Y 3.8491 7.7087 117.5939 60.7565 38.8287 178.0444 178 R 3.8111 8.1185 119.1871 59.0217 30.0806 178.5439 179 D 4.2244 8.5349 118.0892 57.4604 41.2388 178.3156 180 L 4.0398 7.7979 119.1856 57.7234 41.5707 179.4885 181 A 3.5341 7.8612 120.8546 54.6605 18.2018 179.3583 182 A 3.8367 7.8749 119.3125 55.6785 18.5382 179.9797 183 Q 4.0409 8.0789 116.1397 58.8587 28.4866 179.0257 184 A 4.0670 8.0675 121.3668 55.4341 18.5253 179.6562 185 S 4.1450 8.2987 112.5100 61.4561 62.8847 176.4940 186 A 4.0975 8.3009 123.1776 54.9063 18.2360 177.7423 187 A 4.2195 7.6675 122.0870 52.5684 18.5970 177.1514 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 46 N 8.28 4.80 0.00 3.03 3.08 0.00 0.00 6.15 5.79 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 47 L 8.28 3.97 0.00 1.91 1.82 0.96 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.41 4.06 0.00 3.10 3.20 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 49 F 8.95 4.07 0.00 3.35 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 50 Q 8.45 4.19 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 51 S 7.72 4.33 0.00 3.92 3.85 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 52 M 8.05 3.89 0.00 1.64 1.60 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.24 0.00 53 R 7.64 3.76 0.00 1.82 1.96 0.00 3.28 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 54 N 8.18 4.46 0.00 2.91 2.92 0.00 0.00 6.75 7.73 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 55 F 8.40 4.01 0.00 3.02 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 56 S 8.52 3.89 0.00 3.94 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 57 E 8.23 3.93 0.00 1.97 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 2.24 2.18 0.00 58 D 7.67 4.32 0.00 2.70 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 59 V 6.78 2.00 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 0.34 0.00 0.00 -0.46 0.00 0.00 60 L 7.59 4.03 0.00 1.66 1.62 0.82 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.92 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 0.00 0.00 0.00 62 W 7.74 4.54 0.00 3.43 3.20 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 63 R 7.77 4.40 0.00 1.96 2.09 0.00 3.13 0.00 0.00 3.43 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.71 0.00 64 E 8.08 4.28 0.00 2.16 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 0.00 2.35 2.51 0.00 65 S 7.15 4.73 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 66 F 8.55 3.55 0.00 2.10 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 67 D 7.86 4.06 0.00 2.66 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 68 L 7.88 4.27 0.00 1.90 1.84 0.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.42 3.78 0.00 1.62 1.41 -0.07 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.19 3.55 0.00 1.02 0.89 -0.66 -0.46 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 71 S 7.91 4.51 0.00 4.07 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 72 S 7.38 4.90 0.00 4.15 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 73 K 8.85 3.89 0.00 1.98 1.85 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.11 7.81 74 N 8.30 4.63 0.00 3.39 3.21 0.00 0.00 7.02 7.58 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 75 G 8.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.82 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 0.74 0.00 0.00 0.97 0.00 0.00 77 A 7.93 3.96 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 78 A 8.04 4.04 1.46 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 0.00 0.00 0.00 79 F 8.16 3.80 0.00 2.38 2.76 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 80 H 8.57 3.90 0.00 3.32 3.43 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.89 4.04 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 82 F 8.25 4.34 0.00 3.49 3.39 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 83 L 7.95 3.50 0.00 1.48 1.45 0.39 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.02 4.06 0.00 1.88 1.72 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.36 7.81 85 T 7.07 3.56 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 1.12 0.00 0.00 86 E 7.04 4.10 0.00 1.68 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 1.89 1.49 0.00 87 F 6.92 3.80 0.00 3.21 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 88 S 8.21 4.63 0.00 3.80 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 89 E 8.03 3.94 0.00 1.84 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 0.00 2.42 2.22 0.00 90 E 8.30 4.15 0.00 2.43 2.37 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 2.45 2.57 0.00 91 N 8.07 4.40 0.00 2.96 3.00 0.00 0.00 6.52 6.10 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 92 L 7.87 4.06 0.00 1.74 1.80 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.49 4.04 0.00 2.31 2.29 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 2.49 2.65 0.00 94 F 8.16 2.94 0.00 2.17 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 95 W 8.11 3.57 0.00 3.46 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 96 L 8.51 3.90 0.00 1.85 1.71 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.81 3.90 1.24 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 0.00 0.00 98 C 7.34 3.81 0.00 2.44 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.06 3.61 0.00 1.73 1.71 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 1.47 1.47 0.00 100 E 7.95 4.05 0.00 2.11 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 0.00 2.46 2.44 0.00 101 F 8.26 4.11 0.00 3.20 3.20 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 0.00 102 K 8.20 3.77 0.00 2.00 1.82 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.64 7.81 103 K 7.63 4.16 0.00 1.82 1.80 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.58 7.81 104 I 7.07 3.82 1.56 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.39 0.79 0.00 0.00 105 R 8.33 4.22 0.00 1.74 1.93 0.00 3.30 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.49 0.00 106 S 7.82 4.21 0.00 3.86 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 0.00 107 A 8.65 4.02 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 0.00 108 T 7.81 3.91 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 1.22 0.00 0.00 109 K 8.08 4.01 0.00 1.80 1.91 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.61 7.81 110 L 8.40 3.91 0.00 1.79 1.82 0.83 -0.14 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 0.00 111 A 8.09 4.20 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.44 4.12 0.00 3.95 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 0.00 113 R 8.68 4.08 0.00 2.11 2.36 0.00 3.49 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 114 A 8.71 4.27 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 0.00 115 H 8.42 4.20 0.00 3.42 3.43 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.03 4.07 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 117 I 8.29 3.86 1.58 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.31 0.38 0.00 0.00 118 F 8.73 4.19 0.00 3.39 3.35 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 0.00 119 E 8.36 3.93 0.00 2.16 2.02 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 2.47 2.61 0.00 120 E 7.93 3.89 0.00 1.93 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 1.47 1.47 0.00 121 F 7.95 4.78 0.00 2.81 2.40 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 0.00 122 I 7.52 3.86 1.35 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.04 0.86 0.00 0.00 123 C 6.75 3.96 0.00 2.99 2.30 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 0.00 124 S 8.33 4.09 0.00 3.84 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 0.00 125 E 9.09 3.73 0.00 2.15 2.02 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 2.20 2.36 0.00 126 A 7.80 4.02 1.24 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 0.00 0.00 127 P 0.00 4.37 0.00 2.08 2.12 0.00 3.81 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 128 K 7.80 4.66 0.00 1.35 1.83 0.00 1.60 0.00 0.00 1.80 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.19 7.81 129 E 8.40 4.10 0.00 2.11 1.82 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 2.20 2.41 0.00 130 V 8.41 4.06 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 0.67 0.00 0.00 0.60 0.00 0.00 131 N 8.59 4.62 0.00 2.67 2.76 0.00 0.00 6.78 7.94 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 0.00 132 I 7.41 4.70 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.82 0.94 0.00 0.00 133 D 8.25 4.71 0.00 2.96 2.87 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 0.00 134 H 8.67 4.09 0.00 3.23 3.37 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.16 3.90 0.00 2.11 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 2.39 2.42 0.00 136 T 8.16 3.90 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 1.28 0.00 0.00 137 R 8.07 3.98 0.00 1.90 2.07 0.00 3.08 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 138 E 8.30 3.99 0.00 2.07 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 2.21 2.35 0.00 139 L 8.08 3.99 0.00 1.74 1.72 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 140 T 7.85 3.87 4.60 0.00 0.00 0.00 0.00 0.00 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 0.00 141 R 8.27 3.11 0.00 1.86 1.98 0.00 3.05 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.03 0.00 142 M 7.85 4.16 0.00 1.99 2.05 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 2.78 2.53 0.00 143 N 7.64 4.67 0.00 2.73 2.69 0.00 0.00 6.84 7.07 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 0.00 144 L 7.32 3.82 0.00 1.34 1.26 0.20 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 145 Q 8.09 4.20 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.56 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 146 T 7.47 4.53 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 1.19 0.00 0.00 147 A 8.37 4.13 1.45 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 0.00 0.00 148 T 8.16 4.61 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 1.25 0.00 0.00 149 A 8.44 4.01 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 0.00 150 T 7.71 4.52 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 1.25 0.00 0.00 151 C 8.09 3.76 0.00 3.06 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 0.00 152 F 7.83 4.91 0.00 2.96 2.94 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 0.00 153 D 8.12 4.33 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 0.00 154 A 8.00 4.00 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 0.00 155 A 8.20 4.11 1.71 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 0.00 0.00 156 Q 9.15 4.00 0.00 1.98 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.05 0.00 157 G 8.36 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 0.00 158 K 8.26 4.02 0.00 2.10 1.96 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.78 1.71 7.81 159 T 8.36 4.01 4.65 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 1.53 0.00 0.00 160 R 8.49 3.96 0.00 2.21 2.19 0.00 3.25 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.56 0.00 161 T 7.97 3.89 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 162 L 8.14 4.01 0.00 1.99 1.79 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 163 M 8.08 4.17 0.00 2.46 2.43 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.65 0.00 164 E 8.01 2.93 0.00 1.54 1.82 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 2.21 2.01 0.00 165 K 7.97 4.08 0.00 2.14 1.86 0.00 1.94 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.45 1.31 7.81 166 D 7.63 4.69 0.00 2.80 2.70 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 0.00 167 S 7.83 4.67 0.00 4.21 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 0.00 168 Y 8.26 4.18 0.00 2.22 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 0.00 169 P 0.00 3.92 0.00 1.99 1.97 0.00 3.77 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 2.14 2.07 0.00 170 R 7.91 4.11 0.00 2.24 2.25 0.00 3.44 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 171 F 8.28 2.70 0.00 2.86 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 0.00 172 L 7.27 3.47 0.00 1.49 1.43 0.31 0.17 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 0.00 173 K 7.14 4.26 0.00 2.01 1.81 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.43 1.30 7.81 174 S 7.07 4.35 0.00 4.05 3.78 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 0.00 175 P 0.00 4.19 0.00 2.19 2.14 0.00 3.64 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 2.14 2.16 0.00 176 A 7.96 4.03 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 0.00 177 Y 7.71 3.85 0.00 2.43 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 0.00 178 R 8.12 3.81 0.00 1.96 1.90 0.00 3.18 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 179 D 8.53 4.22 0.00 2.78 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 0.00 180 L 7.80 4.04 0.00 1.60 1.48 1.18 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 0.00 181 A 7.86 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 A 7.87 3.84 1.35 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 0.00 0.00 183 Q 8.08 4.04 0.00 2.45 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 184 A 8.07 4.07 1.06 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 0.00 185 S 8.30 4.14 0.00 3.87 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 0.00 186 A 8.30 4.10 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 0.00 187 A 7.67 4.22 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