NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.4005 8.3044 120.3541 55.2171 34.0381 175.1250 5 V 4.1376 7.7919 116.9377 61.7169 31.4865 173.9205 6 S 4.6600 8.6359 113.7807 55.7309 65.3984 171.5391 7 P 2.9700 0.0000 0.0000 60.9590 31.4825 174.9048 8 P 4.3241 0.0000 0.0000 61.8244 31.9778 174.6189 9 P 4.3276 0.0000 0.0000 61.9242 32.0580 174.2211 10 P 4.6519 0.0000 0.0000 61.8757 33.0458 176.3640 11 I 3.7694 8.9784 119.2509 65.2110 37.2113 176.4018 12 A 4.3744 7.7312 119.9170 51.1418 19.7372 177.2269 13 D 4.9085 8.2338 118.9234 53.6929 41.2252 177.3133 14 E 4.1840 7.8816 116.6135 55.4254 30.7512 174.8549 15 P 4.5212 0.0000 0.0000 62.3449 32.9077 175.7418 16 L 4.1423 8.6509 124.1663 55.6274 42.7678 175.8908 17 T 4.7024 8.5529 124.1211 63.1732 69.6975 174.5175 18 V 4.7004 9.0479 126.9975 61.2592 33.8131 174.1833 19 N 5.3569 9.4677 127.2794 53.1171 39.9375 174.6532 20 T 5.8304 8.3037 112.3985 59.1820 72.7143 172.9915 21 G 4.7789 8.5538 108.1098 44.7214 0.0000 171.4175 22 I 5.3171 8.6718 121.8537 59.4923 41.3117 173.5639 23 Y 4.8491 9.1935 128.7840 55.6354 40.6905 174.6200 24 L 4.1945 8.3733 128.4810 55.3090 42.2046 177.9514 25 I 4.0687 8.7684 125.8339 63.2230 38.1529 175.9421 26 E 4.7461 7.8190 120.9336 55.1319 32.9588 173.0761 27 C 5.5793 8.3110 123.1596 58.5143 31.2654 172.3383 28 Y 4.3801 8.6672 118.6694 56.5603 41.5382 173.2244 29 S 3.7659 8.7719 110.9382 58.4123 60.4751 171.5954 30 L 4.0903 8.0343 119.9963 55.4961 42.3919 176.2450 31 D 4.7324 8.7332 125.5462 52.4068 40.4989 176.9012 32 D 4.3870 8.6384 118.7288 56.9584 40.7158 177.8832 33 K 4.2586 8.2029 115.1911 55.2501 32.9501 175.6943 34 A 3.7968 7.8978 121.7182 53.5528 16.6788 178.7399 35 E 4.5446 9.0387 121.8367 58.4752 32.1892 177.4348 36 T 5.2608 8.1653 107.2708 60.2394 72.9316 173.0590 37 F 5.3084 8.1636 115.7220 55.8764 41.7728 173.2771 38 K 4.6262 8.5948 119.8822 55.5531 33.9468 176.0118 39 V 4.9035 8.6854 122.9809 61.1362 34.9634 173.5283 40 N 5.3306 9.3609 126.1981 51.9072 41.4125 173.0643 41 A 4.6631 7.8265 125.7020 51.1887 23.5953 174.7229 42 F 5.2371 8.9983 118.1687 56.4056 41.3924 175.0436 43 L 5.4681 9.3577 124.5409 53.6566 44.6958 175.0852 44 S 5.6141 9.2763 122.4471 57.0730 65.5201 173.2357 45 L 5.6447 9.4757 123.1517 53.3184 46.0329 175.5493 46 S 5.6250 9.6940 116.5446 56.0774 66.2510 172.6549 47 W 5.3726 7.9658 121.6607 55.6759 31.2984 172.6486 48 K 4.7174 8.8155 122.2734 55.5618 33.2479 175.7133 49 D 4.8511 9.1442 126.8595 52.1854 42.9184 175.8270 50 R 4.0327 8.7437 123.2635 58.7485 29.6736 179.3459 51 R 4.0903 7.9308 116.7539 58.2220 30.0337 176.9258 52 L 4.7500 7.7667 115.8753 54.3397 42.4717 177.0035 53 A 4.5391 7.8085 121.8986 52.2935 18.9382 177.0134 54 F 4.9607 8.5670 114.8465 55.6535 41.7204 173.5793 55 D 4.5907 8.8377 120.4023 52.5910 41.2323 175.3934 56 P 4.7626 0.0000 0.0000 65.7769 31.5126 177.5221 57 V 3.6894 8.3137 119.6187 65.4072 31.0609 177.5867 58 R 3.9669 7.8913 119.2628 59.7976 30.4416 179.1104 59 S 4.3276 8.1985 113.2187 59.3687 62.7467 175.1436 60 G 3.9354 8.9535 108.8178 45.9102 0.0000 173.4862 61 V 4.5275 7.1893 107.5322 60.2610 35.7905 174.4011 62 R 4.6797 8.5295 119.0025 56.5063 32.0003 176.7512 63 V 4.9323 7.6253 116.3745 61.3290 34.7579 174.1329 64 K 4.5036 9.0631 126.5716 55.0811 34.6746 175.2411 65 T 5.0967 8.0784 119.2542 62.2218 70.6536 173.2670 66 Y 4.7779 8.6491 121.9358 56.2730 42.4766 174.3065 67 E 4.7267 8.7087 120.9228 53.7851 31.9436 175.1055 68 P 4.6519 0.0000 0.0000 65.7418 31.6248 178.4557 69 E 4.1383 8.2182 116.0982 58.5617 29.6018 177.3917 70 A 4.4417 8.4153 120.5247 52.7926 19.1621 176.7257 71 I 4.7615 7.1667 106.7181 58.2672 40.8813 174.7424 72 W 4.2456 8.7715 131.3758 57.2757 31.1307 175.4935 73 I 3.6040 6.6745 125.3580 57.8535 40.0813 173.4559 74 P 3.2308 0.0000 0.0000 62.7422 31.5134 175.5158 75 E 4.2047 8.2519 120.5292 55.4458 30.5992 174.8631 76 I 4.7635 8.1196 125.6711 59.6512 39.4342 175.5682 77 R 4.7331 8.9473 125.1023 54.1845 33.4029 174.9208 78 F 4.5937 9.2211 123.3582 57.9086 39.0763 175.5912 79 V 3.7894 9.0837 125.5672 65.1115 31.8525 176.8630 80 N 4.9664 7.8588 118.9503 52.0364 35.4089 173.9415 81 V 4.7492 7.2793 111.8428 60.0612 35.6009 176.9632 82 E 4.0923 9.2117 125.8884 59.1175 29.3025 176.7521 83 N 5.0348 7.7454 113.7908 50.5050 42.2938 173.8108 84 A 3.8050 8.4490 121.9293 51.6850 18.8887 177.9776 85 R 4.0011 8.1636 118.6988 56.7633 30.3909 175.5985 86 D 4.8035 8.9964 120.4820 52.9562 42.4291 174.8387 87 A 5.3511 8.5887 127.4537 50.1737 22.1725 174.6301 88 D 4.9077 8.7859 120.6664 52.0297 44.0996 175.8130 89 V 3.6745 8.6164 124.2528 63.6215 31.5627 175.3345 90 V 4.1171 8.8520 128.4010 64.6732 32.6984 175.7646 91 D 4.6652 7.5445 118.8916 52.9812 44.9854 173.6669 92 I 5.1708 8.5696 126.1027 59.6413 40.3841 174.4156 93 S 5.2819 9.1383 121.7246 56.4043 66.7647 173.1191 94 V 4.9166 9.1097 121.7882 61.4222 34.3879 175.3430 95 S 4.8539 8.8672 123.6147 56.9887 64.4144 173.5741 96 P 2.9700 0.0000 0.0000 65.2805 30.9995 178.1418 97 D 4.3503 7.7402 114.7789 54.0702 39.7900 176.8678 98 G 3.9586 8.3366 109.6251 45.2989 0.0000 173.0278 99 T 4.2998 8.0193 117.6550 63.3573 69.5319 173.6804 100 V 4.1822 8.4304 127.8152 61.6987 33.3383 174.5169 101 Q 4.9198 8.9635 127.3716 54.4460 30.8781 173.7433 102 Y 5.1801 9.6277 126.8436 55.6638 41.8410 174.1548 103 L 5.2546 8.4588 127.9987 53.2961 45.5070 174.8010 104 E 5.2376 9.2659 123.4441 54.5708 33.6489 174.3485 105 R 4.9523 8.8378 121.6187 54.8998 32.2378 175.0307 106 F 5.5298 8.8441 120.3175 55.2053 42.1093 173.2551 107 S 5.2732 9.1517 113.1960 56.8622 65.7935 172.4338 108 A 4.7703 8.7159 125.6667 50.9360 23.2895 175.3275 109 R 4.4991 8.3958 120.6307 55.0009 31.5718 175.3588 110 V 4.1311 8.3470 128.1443 62.2579 33.0401 175.0566 111 L 4.3105 8.7466 128.8911 53.7356 41.5923 176.0942 112 S 4.7044 8.5314 117.9245 56.0550 63.7677 170.6487 113 P 4.6960 0.0000 0.0000 62.1418 32.0238 175.8959 114 L 4.1146 8.6442 125.1573 54.2900 41.5367 176.0085 115 D 4.1663 8.7975 124.9087 56.4035 41.6948 175.4175 *123 S 4.6827 7.7294 113.2148 58.2894 63.9469 172.7610 124 Q 4.6673 8.9097 123.7812 55.4694 32.7831 173.3812 125 T 4.9218 8.2690 115.2323 61.8939 71.1364 174.0105 126 L 4.6354 8.7517 127.1189 53.8080 44.1389 175.5036 127 H 5.2545 8.9426 117.5636 54.0596 32.5523 173.2938 128 I 4.5381 8.5805 122.2306 59.8444 40.1063 174.0615 129 Y 5.1298 8.9796 125.4318 56.6619 40.0582 174.8130 130 L 5.2107 9.0713 123.5332 52.8485 45.4284 175.6595 131 I 5.5590 9.1170 115.9982 57.9759 41.5268 174.2788 132 V 4.9324 8.1005 120.9350 59.6968 33.9978 175.6512 133 R 4.2180 8.5895 122.1904 56.1240 30.5924 177.0782 134 S 4.9703 8.5455 118.2875 58.0701 63.6764 173.9482 135 V 4.5945 7.9664 115.5079 59.6115 34.8838 175.5281 136 D 4.5792 8.4893 120.4448 55.0940 40.0314 177.7454 137 T 4.1383 7.7158 108.3965 62.9262 69.4465 174.6611 138 R 4.5247 7.2903 119.9040 54.2349 34.2982 173.7509 139 N 4.6198 8.6219 120.3628 53.4316 40.0928 173.4970 140 I 4.7905 8.4380 127.5102 60.0870 38.9213 175.2665 141 V 4.4232 9.0729 127.1292 60.8912 34.1817 174.3924 142 L 4.8612 9.2086 128.7572 54.5914 42.5437 176.0604 143 A 4.8517 9.3184 124.6148 50.1308 23.3506 174.3319 144 V 4.6375 8.2619 118.3143 61.3664 33.6420 174.5867 145 D 4.7497 8.9930 128.5594 52.6224 41.6042 176.8646 146 L 4.0444 8.5657 127.4506 57.4886 41.9779 179.6955 147 E 4.1269 8.2088 116.9650 58.4804 29.5736 177.6078 148 K 4.6499 8.3929 117.3459 55.9376 33.6710 175.4399 149 V 4.6419 7.4264 121.1779 61.7418 33.0852 175.2708 150 G 4.3994 8.9233 114.3123 46.2625 0.0000 171.5565 151 K 4.5114 8.1397 117.5363 55.0647 34.8338 175.8139 152 N 4.6957 8.6278 122.7775 57.0082 39.4229 173.8207 153 D 4.5817 7.5351 114.6440 53.1479 41.4368 174.0040 154 D 4.6790 8.7472 117.4963 54.6841 41.5773 175.6573 155 V 4.7024 7.3089 119.3267 60.8409 32.2387 174.8437 156 F 4.4749 8.8507 132.2991 59.6162 39.9445 176.0355 157 L 4.2467 7.1616 117.8598 54.8762 42.7070 173.7020 158 T 3.9434 8.3594 115.6336 66.1026 68.4345 174.4794 159 G 3.9652 9.2732 114.2048 44.5873 0.0000 172.7178 160 W 5.4222 8.5754 119.4874 55.1127 33.3871 174.3033 161 D 5.2910 9.5925 124.2146 53.2636 42.8525 175.5779 162 I 4.4860 9.0851 124.0203 60.9102 37.3999 175.8169 163 E 4.3719 9.6025 128.5730 58.9651 30.0045 177.0798 164 S 4.7282 7.6902 111.5012 57.3328 66.7245 173.0573 165 F 5.5094 8.6861 122.4787 57.2765 41.9075 173.2310 166 T 4.5350 8.4700 116.0706 60.5565 72.4179 172.2071 167 A 4.6927 7.9712 120.6474 50.6703 22.4599 176.1007 168 V 4.2898 8.1655 118.8429 60.9101 35.2817 174.7239 169 V 4.0452 8.4818 128.0510 63.0991 31.4262 175.4520 170 K 4.3506 8.9830 126.3181 56.9739 34.2589 177.4108 *180 L 4.4243 7.9873 119.4986 53.8011 43.4812 176.0538 181 E 5.2394 7.4416 113.0579 54.7671 33.2590 175.1866 182 S 4.5882 7.8664 110.6785 57.5780 65.8107 174.4664 183 K 5.1512 8.3561 127.0754 54.6514 35.2682 174.3117 184 L 5.0860 9.1825 126.7828 53.0497 44.9296 175.0941 185 D 5.0187 9.0018 122.9390 52.7113 43.3509 174.3053 186 Y 4.4871 8.8547 125.4469 57.4413 39.5188 174.7381 187 Q 4.8412 9.2520 124.1860 53.9607 31.7610 174.3865 188 L 4.7845 9.0993 127.4850 53.4818 43.8481 174.9326 189 R 4.9120 8.9095 129.0096 55.3285 31.4458 175.2509 190 I 5.3020 8.9412 119.8546 59.3481 41.5061 174.3357 191 S 5.2671 9.1093 116.1274 56.6993 66.6855 173.6429 192 R 3.3866 8.4352 120.3689 56.2468 30.5026 176.7411 193 Q 4.1407 8.2530 121.3948 56.2035 28.2958 176.1741 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 4 M 8.30 4.40 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 5 V 7.79 4.14 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 0.96 0.00 0.00 1.04 0.00 0.00 6 S 8.64 4.66 0.00 3.92 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 7 P 0.00 2.97 0.00 1.51 0.78 0.00 3.42 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.47 0.00 8 P 0.00 4.32 0.00 2.18 2.45 0.00 2.57 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.16 0.00 9 P 0.00 4.33 0.00 2.17 2.04 0.00 3.73 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 1.92 0.00 10 P 0.00 4.65 0.00 2.18 2.19 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 11 I 8.98 3.77 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.55 0.91 0.00 0.00 12 A 7.73 4.37 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 13 D 8.23 4.91 0.00 2.66 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.88 4.18 0.00 2.08 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 2.28 2.25 0.00 15 P 0.00 4.52 0.00 2.11 2.26 0.00 3.77 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 1.99 1.96 0.00 16 L 8.65 4.14 0.00 1.76 1.61 1.11 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.55 4.70 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 18 V 9.05 4.70 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 1.07 0.00 0.00 0.97 0.00 0.00 19 N 9.47 5.36 0.00 2.78 2.80 0.00 0.00 6.11 6.59 0.00 0.00 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 T 8.30 5.83 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 1.37 0.00 0.00 21 G 8.55 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 22 I 8.67 5.32 1.84 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.26 1.21 0.00 0.00 23 Y 9.19 4.85 0.00 3.23 3.17 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 0.00 24 L 8.37 4.19 0.00 1.35 1.40 0.11 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.77 4.07 2.01 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.59 0.87 0.00 0.00 26 E 7.82 4.75 0.00 1.97 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.42 0.00 27 C 8.31 5.58 0.00 2.90 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 28 Y 8.67 4.38 0.00 2.93 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 29 S 8.77 3.77 0.00 4.10 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 30 L 8.03 4.09 0.00 1.51 1.58 0.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.73 4.73 0.00 2.96 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 32 D 8.64 4.39 0.00 2.70 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 33 K 8.20 4.26 0.00 1.86 1.86 0.00 1.91 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.43 7.81 34 A 7.90 3.80 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 35 E 9.04 4.54 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 36 T 8.17 5.26 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 1.24 0.00 0.00 37 F 8.16 5.31 0.00 2.91 2.99 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 38 K 8.59 4.63 0.00 0.79 1.00 0.00 1.49 0.00 0.00 1.36 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.18 1.06 7.81 39 V 8.69 4.90 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 0.99 0.00 0.00 1.15 0.00 0.00 40 N 9.36 5.33 0.00 2.82 2.69 0.00 0.00 6.58 8.34 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 41 A 7.83 4.66 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 9.00 5.24 0.00 3.16 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 43 L 9.36 5.47 0.00 2.20 1.88 1.16 1.44 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 44 S 9.28 5.61 0.00 3.98 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 45 L 9.48 5.64 0.00 2.00 1.85 0.63 0.76 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 46 S 9.69 5.62 0.00 3.92 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 47 W 7.97 5.37 0.00 3.62 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 48 K 8.82 4.72 0.00 1.81 1.82 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.51 7.81 49 D 9.14 4.85 0.00 3.00 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 50 R 8.74 4.03 0.00 2.04 2.20 0.00 3.03 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 51 R 7.93 4.09 0.00 1.88 2.07 0.00 3.15 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 52 L 7.77 4.75 0.00 1.69 1.76 0.71 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.81 4.54 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 54 F 8.57 4.96 0.00 3.03 3.02 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 0.00 0.00 0.00 55 D 8.84 4.59 0.00 2.72 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.76 0.00 2.33 2.28 0.00 3.68 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 2.03 1.88 0.00 57 V 8.31 3.69 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 1.04 0.00 0.00 0.98 0.00 0.00 58 R 7.89 3.97 0.00 1.87 2.03 0.00 3.45 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.71 4.73 0.00 2.08 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 2.43 2.59 0.00 68 P 0.00 4.65 0.00 2.21 2.25 0.00 3.98 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 69 E 8.22 4.14 0.00 1.99 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 2.34 2.40 0.00 70 A 8.42 4.44 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 71 I 7.17 4.76 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.86 0.49 0.00 0.00 72 W 8.77 4.25 0.00 3.39 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 73 I 6.67 3.60 1.45 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.93 0.25 0.00 0.00 74 P 0.00 3.23 0.00 1.74 1.58 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.10 0.00 75 E 8.25 4.20 0.00 1.84 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 2.10 0.00 76 I 8.12 4.76 1.89 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 1.19 0.78 1.03 0.00 0.00 77 R 8.95 4.73 0.00 1.68 1.83 0.00 3.28 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 78 F 9.22 4.59 0.00 2.68 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 79 V 9.08 3.79 2.21 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 0.74 0.00 0.00 1.00 0.00 0.00 80 N 7.86 4.97 0.00 3.03 3.14 0.00 0.00 5.92 7.68 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 81 V 7.28 4.75 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 0.83 0.00 0.00 1.03 0.00 0.00 82 E 9.21 4.09 0.00 1.91 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 2.30 2.29 0.00 83 N 7.75 5.03 0.00 2.66 2.63 0.00 0.00 6.80 7.35 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 84 A 8.45 3.80 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 85 R 8.16 4.00 0.00 1.61 1.22 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.39 0.00 86 D 9.00 4.80 0.00 2.79 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.59 5.35 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 88 D 8.79 4.91 0.00 2.59 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 89 V 8.62 3.67 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 0.63 0.00 0.00 1.05 0.00 0.00 90 V 8.85 4.12 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 0.77 0.00 0.00 1.07 0.00 0.00 91 D 7.54 4.67 0.00 2.74 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 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4.18 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 0.00 0.00 0.49 0.00 0.00 0.62 0.00 0.00 101 Q 8.96 4.92 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 102 Y 9.63 5.18 0.00 3.19 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 0.00 103 L 8.46 5.25 0.00 1.66 1.32 0.91 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 104 E 9.27 5.24 0.00 2.25 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 2.63 2.48 0.00 105 R 8.84 4.95 0.00 1.86 1.76 0.00 3.04 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.22 0.00 106 F 8.84 5.53 0.00 2.85 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 0.00 107 S 9.15 5.27 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 0.00 108 A 8.72 4.77 1.20 0.00 0.00 0.00 0.00 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2.47 0.91 0.00 0.00 132 V 8.10 4.93 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 0.78 0.00 0.00 0.96 0.00 0.00 133 R 8.59 4.22 0.00 1.70 1.90 0.00 3.14 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 134 S 8.55 4.97 0.00 3.86 3.79 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 0.00 135 V 7.97 4.59 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 0.91 0.00 0.00 0.88 0.00 0.00 136 D 8.49 4.58 0.00 2.73 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 0.00 137 T 7.72 4.14 4.15 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 1.15 0.00 0.00 138 R 7.29 4.52 0.00 1.59 1.70 0.00 3.27 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.27 0.00 139 N 8.62 4.62 0.00 2.79 2.68 0.00 0.00 7.07 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 0.00 140 I 8.44 4.79 1.90 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.70 0.97 0.00 0.00 141 V 9.07 4.42 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 0.96 0.00 0.00 0.94 0.00 0.00 142 L 9.21 4.86 0.00 1.54 1.62 0.97 0.76 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 0.00 143 A 9.32 4.85 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 0.00 144 V 8.26 4.64 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.71 0.00 0.00 145 D 8.99 4.75 0.00 2.82 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 0.00 146 L 8.57 4.04 0.00 1.76 1.72 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.21 4.13 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 148 K 8.39 4.65 0.00 1.90 1.92 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.57 7.81 149 V 7.43 4.64 2.24 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 0.63 0.00 0.00 1.09 0.00 0.00 150 G 8.92 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 0.00 151 K 8.14 4.51 0.00 1.54 1.49 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.29 1.39 7.81 152 N 8.63 4.70 0.00 3.00 2.92 0.00 0.00 6.96 8.35 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 0.00 153 D 7.54 4.58 0.00 2.79 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 0.00 154 D 8.75 4.68 0.00 2.74 2.75 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 0.00 155 V 7.31 4.70 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 0.83 0.00 0.00 0.95 0.00 0.00 156 F 8.85 4.47 0.00 2.83 3.23 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 0.00 157 L 7.16 4.25 0.00 1.66 1.61 0.63 -0.24 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 0.00 158 T 8.36 3.94 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 0.00 159 G 9.27 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 0.00 160 W 8.58 5.42 0.00 3.48 3.27 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 0.00 161 D 9.59 5.29 0.00 2.60 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 0.00 162 I 9.09 4.49 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.69 0.96 0.00 0.00 163 E 9.60 4.37 0.00 1.93 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 2.37 2.42 0.00 164 S 7.69 4.73 0.00 3.89 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 0.00 165 F 8.69 5.51 0.00 2.82 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 0.00 166 T 8.47 4.53 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 1.15 0.00 0.00 167 A 7.97 4.69 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 0.00 168 V 8.17 4.29 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.86 0.00 0.00 169 V 8.48 4.05 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 0.82 0.00 0.00 0.90 0.00 0.00 170 K 8.98 4.35 0.00 1.66 1.81 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.62 7.81 *180 L 7.99 4.42 0.00 1.77 1.75 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 181 E 7.44 5.24 0.00 1.90 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 2.15 2.26 0.00 182 S 7.87 4.59 0.00 4.01 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 0.00 183 K 8.36 5.15 0.00 1.84 1.58 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.41 1.53 7.81 184 L 9.18 5.09 0.00 1.66 1.46 1.02 0.82 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 0.00 185 D 9.00 5.02 0.00 2.93 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 Y 8.85 4.49 0.00 3.11 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 Q 9.25 4.84 0.00 1.85 1.91 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 2.31 2.36 0.00 188 L 9.10 4.78 0.00 1.77 1.39 0.74 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 189 R 8.91 4.91 0.00 1.90 1.78 0.00 3.09 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 190 I 8.94 5.30 1.98 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.65 0.26 0.00 0.00 191 S 9.11 5.27 0.00 3.91 4.02 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 0.00 0.00 0.00 192 R 8.44 3.39 0.00 1.30 1.55 0.00 2.92 0.00 0.00 2.87 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.50 0.00 193 Q 8.25 4.14 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.