NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.4002 8.0433 120.5732 54.2169 44.3969 175.4647 4 S 5.1310 7.9999 113.7199 56.5751 67.0605 171.7077 5 A 4.8248 9.2112 123.1340 50.6505 23.1680 174.5779 6 E 5.2949 8.7803 120.3521 54.7861 33.4084 174.5784 7 Q 4.9628 9.3322 125.4897 54.9668 33.0436 173.3789 8 S 5.3919 8.6520 119.6401 57.0676 66.4642 172.6952 9 F 4.9955 8.5429 115.8023 56.7987 41.3510 172.4642 10 T 5.1365 8.8588 109.1096 60.2618 71.3915 173.3696 11 L 4.7562 8.5205 121.3881 53.5727 45.9031 175.1139 12 R 4.5735 8.4164 122.2361 54.9724 31.4144 175.0980 13 H 4.3491 9.0731 125.9946 54.6882 30.2864 174.2953 14 P 4.3197 0.0000 0.0000 65.3049 31.2942 176.6598 15 H 4.7119 8.4702 113.1988 55.3363 29.3727 175.1588 16 G 3.8314 7.8131 107.3825 44.4865 0.0000 173.9399 17 Q 3.8391 8.7080 117.5325 59.2536 29.0802 178.2672 18 A 4.0127 8.0630 121.0457 55.3632 18.2917 179.3280 19 A 3.9343 7.9279 118.3421 55.1334 18.5294 179.5513 20 A 3.9148 7.8508 119.3240 55.1909 18.3196 179.7732 21 L 3.9414 8.3290 117.6888 58.0145 41.5142 179.6829 22 A 4.0390 7.8715 119.3129 54.9919 18.1024 179.1564 23 F 4.3231 8.6048 119.3866 61.7681 39.3849 177.8490 24 V 3.8701 8.0316 109.9814 63.6697 31.4588 177.9494 25 R 4.4982 7.6652 116.3113 55.6686 30.5655 175.6440 26 E 4.5120 7.5073 119.9795 53.1922 30.7524 174.2146 27 P 4.1946 0.0000 0.0000 66.0993 30.8999 178.0795 28 A 4.1234 7.9313 118.6550 54.3881 18.3640 178.9555 29 A 4.0898 7.6315 118.9102 54.9906 18.8618 179.3248 30 A 2.7760 7.3791 117.8538 54.2160 18.8434 178.3584 31 L 4.3917 8.0345 115.1088 54.3712 42.1990 178.0423 32 A 3.9181 7.6974 124.3078 55.0116 18.1772 179.4583 33 G 3.9758 7.8366 100.5469 45.0846 0.0000 173.4681 34 V 3.6447 7.4597 120.0195 62.4487 31.7232 175.9116 35 R 4.1771 8.1264 125.1396 55.6663 32.0058 176.7255 36 F 4.3090 8.1389 115.5327 58.1028 36.1001 175.9319 37 L 4.8435 7.0942 121.7878 52.7430 41.5671 175.8993 38 R 4.0639 8.8663 123.8315 56.7984 30.8401 176.7777 39 G 3.8621 8.7795 110.4229 46.2038 0.0000 173.3308 40 L 4.1645 7.8602 121.3378 55.2962 42.5396 175.4618 41 D 4.3487 8.3372 124.2862 53.6503 45.2800 173.3206 42 S 4.3393 7.8215 113.9287 57.6895 65.0794 173.6882 43 D 4.8703 9.1996 123.5113 53.0249 39.6001 176.6445 44 G 4.0911 8.6106 110.0718 45.5017 0.0000 174.6588 45 E 4.5284 8.4968 117.8157 57.7173 31.4208 176.1234 46 Q 5.2292 9.1956 116.9058 54.0666 33.7270 174.5721 47 V 4.7237 9.1817 120.8219 61.1046 34.8529 174.3700 48 W 4.9533 8.2447 123.0548 54.9887 32.1416 174.4714 49 G 4.1004 6.9276 106.0384 46.2539 0.0000 171.4542 50 E 5.4262 8.2517 117.2467 55.3894 33.4793 174.6310 51 L 5.1394 9.1549 121.4826 53.3139 44.8340 175.2773 52 L 5.0946 8.4759 121.5042 53.2668 43.6202 175.9172 53 V 4.4991 8.8485 125.0351 60.8785 33.3024 174.4962 54 T 4.9857 8.4580 125.2076 62.5630 69.5625 174.5977 55 V 4.5539 8.3749 119.0573 58.3812 36.1777 173.7532 56 P 4.5198 0.0000 0.0000 63.9718 31.9255 176.2607 57 L 4.2692 8.7796 126.3146 55.5955 40.0460 176.2927 58 L 4.1479 7.8223 116.0028 55.5530 43.0178 179.0963 59 G 3.8350 8.0490 107.2063 46.0620 0.0000 174.1841 60 E 4.3524 8.8097 126.2330 56.1787 30.1492 176.1335 61 V 4.4420 8.9220 126.4805 61.0261 33.6153 174.1693 62 D 5.2282 8.7913 128.0654 52.6822 40.8975 175.5620 63 L 4.9305 9.1613 123.6396 52.2430 44.0134 174.5685 64 P 5.2933 0.0000 0.0000 62.7131 33.3673 175.0130 65 F 5.6298 8.8476 114.4632 54.9409 42.1117 173.4390 66 R 5.2449 8.7390 119.1723 55.5128 33.5803 173.7209 67 S 5.3004 9.8770 121.8515 56.6995 67.5602 172.7533 68 E 4.5981 9.5270 124.7085 55.9500 30.9138 175.2574 69 I 4.6553 8.5314 128.2139 60.4158 38.5074 175.3255 70 V 4.3416 8.8855 127.6883 60.9224 34.0013 174.2411 71 R 4.6001 8.7139 129.2746 55.9158 30.8159 175.4271 72 T 4.7174 8.3693 115.5020 58.7500 71.7996 173.2292 73 P 4.2204 0.0000 0.0000 65.1544 31.5382 177.6251 74 Q 4.5686 8.0951 114.6501 54.9086 31.0850 176.7998 75 G 4.2440 6.9472 111.5781 45.7894 0.0000 175.4892 76 A 4.8640 6.6491 124.0326 51.1672 23.1845 175.1512 77 E 5.0836 9.2658 118.1847 54.5971 34.5211 174.8155 78 L 5.2274 8.7230 121.5908 53.2031 44.4626 175.7674 79 R 4.9815 8.9020 123.3630 53.4302 32.7930 173.7180 80 P 4.9423 0.0000 0.0000 62.9640 32.2506 175.6695 81 L 4.7558 8.8263 122.5610 53.4440 43.5871 176.6313 82 T 3.6135 8.3747 119.3911 63.2798 68.9844 174.3718 83 L 4.1159 5.6200 125.5614 52.2777 44.2108 175.9250 84 T 4.0135 7.6481 109.8917 61.5915 68.3987 174.7726 85 G 4.0764 8.4551 109.8147 45.8117 0.0000 175.5828 86 E 4.2167 7.7902 118.6553 58.7824 29.7586 177.1630 87 R 4.8881 7.3770 110.6021 54.0388 32.7502 175.1587 88 A 4.6490 8.7741 122.3569 52.6688 19.2931 176.5439 89 W 5.4164 8.8821 116.9516 55.3472 32.8480 173.5614 90 V 4.8705 9.4886 119.4704 61.0595 34.5932 173.8998 91 A 4.8146 9.0862 129.5880 50.6469 20.7191 175.8696 92 V 4.3188 8.5874 123.1405 61.6533 32.9285 175.0714 93 S 5.0350 8.6072 124.4051 57.0764 66.5319 173.4801 94 G 3.9880 8.3446 107.1859 45.4427 0.0000 172.2679 95 Q 4.9262 8.6655 120.5797 53.7381 33.3052 174.2303 96 A 4.9169 8.7175 123.9501 50.3090 22.7052 175.0603 97 T 4.9463 8.3551 110.9617 59.6719 72.0551 173.1303 98 A 4.8658 9.0425 124.9266 50.3366 21.7063 175.4090 99 A 4.7425 8.7838 127.6875 50.2282 22.1753 175.4746 100 E 4.3700 8.0186 112.6855 57.3158 29.7910 173.6783 101 G 3.8977 8.7486 111.7126 44.4363 0.0000 174.1110 102 G 3.8685 8.2415 108.1133 45.3073 0.0000 173.5984 103 E 4.2537 7.7406 119.3321 55.6715 30.5446 175.1698 *105 A 4.3756 8.1486 120.1259 52.0365 20.1299 175.7702 106 F 5.0278 8.9335 119.8508 55.4653 43.3629 174.1528 107 A 5.0458 8.4859 122.9157 50.4250 22.4604 175.0614 108 F 5.1418 9.9029 121.0737 55.6763 43.0861 174.3762 109 Q 5.0701 8.9075 120.6414 54.2077 32.9657 174.2996 110 F 5.3641 9.5721 121.3430 55.7532 43.2481 173.8388 111 Q 4.9373 9.0045 123.0338 54.3341 32.1941 173.4537 112 A 4.7301 8.7913 129.0387 51.2078 20.4325 176.0525 113 H 4.4343 8.8234 120.2732 53.8483 30.5400 174.2197 114 L 4.5736 8.3919 123.3603 53.9478 42.9271 177.0253 115 A 4.2085 8.5810 124.9559 54.3943 19.7608 177.7018 *120 E 3.9824 7.7755 112.6308 57.0995 30.8632 176.2854 121 G 4.0567 8.4537 107.6230 44.9161 0.0000 174.3420 122 W 4.4859 8.9702 127.1119 60.6658 30.5226 177.5833 123 G 3.8942 8.4411 105.1454 48.2113 0.0000 175.5898 124 G 3.7035 7.8898 106.9351 47.0988 0.0000 175.8141 125 A 4.0647 8.4125 122.9432 55.0506 18.2512 179.5689 126 A 4.0578 8.2499 118.4095 55.2379 18.5137 179.3875 127 F 3.8508 8.0861 118.1721 61.1931 39.7998 176.7229 128 E 4.1930 8.3238 118.9779 59.1614 29.5258 178.7436 129 K 3.8793 7.8012 116.0388 57.9627 32.1574 177.8716 *131 V 3.9082 7.6451 118.6296 62.9675 33.4215 177.4822 132 Q 3.9482 8.2721 118.4332 58.8888 28.4622 178.6672 133 A 3.9334 7.8256 121.0326 55.0534 18.4472 179.5890 134 A 3.8360 7.8630 118.5362 55.2984 18.6053 179.5817 135 A 4.0316 8.2431 119.6012 55.1455 18.4013 180.0885 136 G 3.5317 8.2030 104.3518 48.0214 0.0000 176.2175 137 R 3.8764 7.9649 120.4811 59.1076 30.1042 179.2537 138 T 3.7000 7.8643 115.5216 66.5816 68.4743 176.6557 139 L 3.6887 7.7770 120.7215 57.7946 41.6494 179.5379 140 E 3.8705 7.9780 118.4935 59.1182 29.3525 179.3206 141 R 3.5842 7.8201 119.0201 59.2824 29.8723 179.0133 142 V 3.5614 7.0094 116.9888 64.5864 31.7460 177.9193 143 A 4.1377 7.5739 121.4393 54.9280 18.0973 179.8908 144 K 3.9479 8.3406 115.5442 58.9252 32.3690 178.6103 145 A 4.3406 7.7506 119.1275 52.6432 18.9809 179.0155 146 L 3.7714 7.5543 117.9960 57.2989 41.7163 177.6233 147 P 2.9835 0.0000 0.0000 65.0107 31.1460 178.1207 148 E 3.9153 7.9482 117.6372 59.1840 29.3494 178.9813 149 G 3.5037 7.7799 104.2344 47.8445 0.0000 175.3236 150 L 4.1670 8.2548 122.1490 57.3649 41.6302 179.4863 151 A 4.0001 8.1635 120.5206 55.1094 18.0890 179.4916 152 A 4.1278 8.0622 118.3382 54.7177 18.4830 179.2656 153 G 3.8996 7.8918 102.4277 45.1349 0.0000 173.9834 154 L 4.1505 7.1714 121.2026 53.0003 42.7105 175.3833 155 P 4.5132 0.0000 0.0000 60.9737 30.4933 173.9400 156 P 4.3955 0.0000 0.0000 62.1241 32.4059 176.5555 157 A 4.2720 8.4308 121.9578 52.6908 18.3472 177.4694 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 3 L 8.04 4.40 0.00 1.56 1.81 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.00 5.13 0.00 3.77 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 5 A 9.21 4.82 1.21 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 0.00 0.00 0.00 6 E 8.78 5.29 0.00 2.00 1.84 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 2.38 2.26 0.00 7 Q 9.33 4.96 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.53 0.00 0.00 0.00 0.00 0.00 2.60 2.84 0.00 8 S 8.65 5.39 0.00 3.89 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 9 F 8.54 5.00 0.00 3.15 3.22 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 10 T 8.86 5.14 4.31 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 1.23 0.00 0.00 11 L 8.52 4.76 0.00 1.93 1.70 1.12 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.42 4.57 0.00 1.91 1.83 0.00 3.52 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 13 H 9.07 4.35 0.00 3.07 3.09 0.00 5.65 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.32 0.00 1.96 2.07 0.00 3.29 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.02 0.00 15 H 8.47 4.71 0.00 3.16 3.32 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.81 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 17 Q 8.71 3.84 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 18 A 8.06 4.01 1.33 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 0.00 0.00 19 A 7.93 3.93 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 20 A 7.85 3.91 1.40 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 21 L 8.33 3.94 0.00 1.87 1.75 0.92 0.54 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 22 A 7.87 4.04 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 23 F 8.60 4.32 0.00 3.29 3.36 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 24 V 8.03 3.87 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 1.02 0.00 0.00 1.05 0.00 0.00 25 R 7.67 4.50 0.00 1.81 1.99 0.00 3.25 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 26 E 7.51 4.51 0.00 1.98 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 2.15 2.18 0.00 27 P 0.00 4.19 0.00 2.25 2.31 0.00 3.73 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 2.03 2.04 0.00 28 A 7.93 4.12 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 29 A 7.63 4.09 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 30 A 7.38 2.78 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 31 L 8.03 4.39 0.00 1.72 1.64 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.70 3.92 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 33 G 7.84 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 34 V 7.46 3.64 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 0.73 0.00 0.00 0.84 0.00 0.00 35 R 8.13 4.18 0.00 1.25 0.66 0.00 3.08 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.37 0.00 36 F 8.14 4.31 0.00 3.19 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 37 L 7.09 4.84 0.00 1.59 1.81 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.87 4.06 0.00 1.92 1.85 0.00 3.24 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 39 G 8.78 3.86 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 0.00 0.00 0.00 40 L 7.86 4.16 0.00 1.83 1.53 1.15 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.34 4.35 0.00 2.46 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.82 4.34 0.00 3.60 3.45 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 43 D 9.20 4.87 0.00 2.91 3.01 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 44 G 8.61 4.09 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 0.00 45 E 8.50 4.53 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 2.37 2.30 0.00 46 Q 9.20 5.23 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 47 V 9.18 4.72 2.25 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 0.93 0.00 0.00 0.96 0.00 0.00 48 W 8.24 4.95 0.00 3.23 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 49 G 6.93 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 50 E 8.25 5.43 0.00 2.21 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 2.52 2.38 0.00 51 L 9.15 5.14 0.00 1.74 1.63 1.15 0.63 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 52 L 8.48 5.09 0.00 1.56 1.62 1.01 0.92 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 53 V 8.85 4.50 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 1.19 0.00 0.00 0.93 0.00 0.00 54 T 8.46 4.99 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 1.19 0.00 0.00 55 V 8.37 4.55 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 0.73 0.00 0.00 0.89 0.00 0.00 56 P 0.00 4.52 0.00 1.99 1.95 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 57 L 8.78 4.27 0.00 1.84 1.89 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.82 4.15 0.00 1.67 1.77 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.05 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 60 E 8.81 4.35 0.00 1.89 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 2.33 2.32 0.00 61 V 8.92 4.44 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 0.98 0.00 0.00 0.97 0.00 0.00 62 D 8.79 5.23 0.00 2.90 2.71 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 63 L 9.16 4.93 0.00 1.71 1.77 1.00 0.91 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 64 P 0.00 5.29 0.00 2.18 2.23 0.00 4.04 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 2.21 2.03 0.00 65 F 8.85 5.63 0.00 3.39 3.37 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 66 R 8.74 5.24 0.00 1.88 1.80 0.00 2.89 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 67 S 9.88 5.30 0.00 3.94 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 68 E 9.53 4.60 0.00 2.06 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 2.33 2.33 0.00 69 I 8.53 4.66 1.99 0.00 0.00 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 1.17 0.76 0.94 0.00 0.00 70 V 8.89 4.34 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 0.94 0.00 0.00 0.95 0.00 0.00 71 R 8.71 4.60 0.00 1.87 1.82 0.00 3.23 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 72 T 8.37 4.72 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 1.19 0.00 0.00 73 P 0.00 4.22 0.00 2.04 2.14 0.00 3.63 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 2.01 2.09 0.00 74 Q 8.10 4.57 0.00 2.04 2.05 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 2.33 2.29 0.00 75 G 6.95 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 0.00 0.00 0.00 0.00 76 A 6.65 4.86 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 77 E 9.27 5.08 0.00 1.81 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 2.13 2.20 0.00 78 L 8.72 5.23 0.00 1.66 1.63 1.08 0.90 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 79 R 8.90 4.98 0.00 1.74 1.84 0.00 3.14 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 80 P 0.00 4.94 0.00 2.28 2.38 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 81 L 8.83 4.76 0.00 1.62 1.58 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.37 3.61 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 1.06 0.00 0.00 83 L 5.62 4.12 0.00 0.29 1.10 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.65 4.01 4.17 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 1.08 0.00 0.00 85 G 8.46 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 0.00 0.00 0.00 86 E 7.79 4.22 0.00 2.11 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 0.00 2.32 2.27 0.00 87 R 7.38 4.89 0.00 1.85 1.95 0.00 3.15 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 88 A 8.77 4.65 1.32 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 0.00 0.00 0.00 89 W 8.88 5.42 0.00 3.68 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 90 V 9.49 4.87 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 1.12 0.00 0.00 1.03 0.00 0.00 91 A 9.09 4.81 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 92 V 8.59 4.32 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 0.51 0.00 0.00 0.39 0.00 0.00 93 S 8.61 5.04 0.00 3.82 3.64 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 94 G 8.34 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 95 Q 8.67 4.93 0.00 1.79 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 96 A 8.72 4.92 0.98 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 97 T 8.36 4.95 4.13 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 0.00 0.00 0.00 1.09 0.00 0.00 98 A 9.04 4.87 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 99 A 8.78 4.74 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 0.00 100 E 8.02 4.37 0.00 2.00 1.78 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 2.23 1.86 0.00 101 G 8.75 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 0.00 102 G 8.24 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 0.00 103 E 7.74 4.25 0.00 2.00 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 2.51 2.25 0.00 *105 A 8.15 4.38 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 0.00 106 F 8.93 5.03 0.00 1.51 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 5.05 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 0.00 108 F 9.90 5.14 0.00 3.06 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 0.00 109 Q 8.91 5.07 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 110 F 9.57 5.36 0.00 2.92 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 Q 9.00 4.94 0.00 2.10 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 112 A 8.79 4.73 1.15 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 0.00 0.00 113 H 8.82 4.43 0.00 1.40 2.62 0.00 5.61 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.39 4.57 0.00 1.64 1.62 0.92 0.85 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 0.00 115 A 8.58 4.21 1.40 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 *120 E 7.78 3.98 0.00 2.21 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 2.27 2.34 0.00 121 G 8.45 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 0.00 122 W 8.97 4.49 0.00 3.38 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 0.00 123 G 8.44 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 0.00 124 G 7.89 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 0.00 0.00 0.00 125 A 8.41 4.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.25 4.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.09 3.85 0.00 3.31 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 0.00 128 E 8.32 4.19 0.00 2.28 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 0.00 2.34 2.36 0.00 129 K 7.80 3.88 0.00 1.98 1.94 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 *131 V 7.65 3.91 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 1.04 0.00 0.00 0.81 0.00 0.00 132 Q 8.27 3.95 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 133 A 7.83 3.93 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 0.00 134 A 7.86 3.84 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 0.00 135 A 8.24 4.03 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 0.00 136 G 8.20 3.53 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 0.00 0.00 0.00 137 R 7.96 3.88 0.00 1.99 1.89 0.00 3.07 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 138 T 7.86 3.70 4.34 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 1.19 0.00 0.00 139 L 7.78 3.69 0.00 1.75 1.60 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 140 E 7.98 3.87 0.00 1.89 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 2.42 2.40 0.00 141 R 7.82 3.58 0.00 1.72 1.57 0.00 2.82 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.50 0.00 142 V 7.01 3.56 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 0.08 0.00 0.00 0.80 0.00 0.00 143 A 7.57 4.14 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 0.00 144 K 8.34 3.95 0.00 1.67 1.83 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.51 7.81 145 A 7.75 4.34 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.55 3.77 0.00 1.86 1.66 0.60 0.53 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 0.00 147 P 0.00 2.98 0.00 1.77 1.37 0.00 3.50 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.84 0.00 148 E 7.95 3.92 0.00 1.95 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 2.32 2.33 0.00 149 G 7.78 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 0.00 150 L 8.25 4.17 0.00 1.76 1.69 0.85 -0.08 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 0.00 151 A 8.16 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 0.00 152 A 8.06 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 0.00 153 G 7.89 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 0.00 154 L 7.17 4.15 0.00 1.67 1.36 0.86 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.51 0.00 2.18 2.12 0.00 3.40 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.94 0.00 156 P 0.00 4.40 0.00 2.21 2.08 0.00 3.77 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 2.00 1.96 0.00 157 A 8.43 4.27 1.28 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 * Residues marked with a * may have inaccurate shift predictions.