NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4381 8.3344 116.7926 58.0474 64.3096 173.3585 4 K 3.8481 8.8590 126.8419 57.8040 32.3064 175.0833 5 N 4.9361 8.7244 117.1109 51.8732 42.3762 172.4850 6 T 4.7779 8.3133 121.3614 61.6729 72.1151 173.6034 7 I 3.9393 8.5147 127.0356 60.9850 38.3338 174.3065 8 C 5.1457 8.5116 128.1334 57.6537 33.0251 172.5900 9 L 4.8077 9.0310 126.6062 52.5564 44.5150 175.4996 10 W 4.6896 8.8233 133.7685 57.1872 31.6825 174.7885 11 Y 4.8843 9.1203 123.9146 56.4540 40.5539 174.4059 12 D 5.1833 9.1230 122.3700 52.9876 41.3451 176.0518 13 S 3.8578 8.6998 120.9936 58.6431 61.9449 173.5773 14 A 4.5403 7.8242 116.8163 52.5760 20.7894 178.7044 15 A 2.6273 8.5847 123.7518 55.9772 18.1400 180.6291 16 L 3.5863 7.4307 118.1479 57.9117 42.2738 178.3822 17 E 3.7422 7.8633 118.5914 59.2165 29.4582 178.6201 18 A 2.0000 6.9327 120.2537 54.2946 18.1376 179.4197 19 A 2.9669 6.8953 119.3125 55.1762 18.2505 180.0813 20 T 3.6982 7.6195 114.2810 66.5699 68.4888 176.6431 21 F 4.3016 8.0017 122.5369 61.7347 39.4019 176.7843 22 Y 4.2856 7.8449 116.2052 61.1275 37.4404 178.4807 23 A 4.1179 8.0207 120.8552 55.1208 18.5438 179.1625 24 E 4.0340 7.9510 116.0283 58.8182 29.6423 178.7169 25 T 3.7941 6.9883 114.4504 63.5822 69.3295 174.9882 26 F 4.9528 7.0027 117.5409 54.5096 41.6879 173.6340 27 P 4.4122 0.0000 0.0000 63.0808 32.0333 175.0063 28 D 4.3917 8.6073 115.6289 55.5940 39.3474 173.1487 29 S 4.9457 7.4137 111.9137 57.0203 67.3734 173.2734 30 A 4.5446 8.4175 122.4102 51.1497 23.0209 175.4494 31 V 4.2359 8.4786 120.7722 62.6391 31.8491 175.4464 32 L 4.6129 8.9710 127.9665 56.4319 43.1880 176.6804 33 A 4.5211 7.4394 116.8487 51.0000 22.5193 175.3571 34 V 4.6669 8.2055 118.9630 61.3458 34.5795 174.4505 35 H 5.0313 9.2430 124.5247 54.1220 31.9226 173.6609 36 R 4.8596 8.6456 121.3351 54.7194 31.3679 176.2506 37 A 4.0952 7.9324 124.3166 51.7829 18.8197 177.3668 38 P 4.2600 0.0000 0.0000 65.0485 31.2709 177.9799 39 G 3.1978 6.8864 100.5970 49.2766 0.0000 174.4539 *48 D 4.5301 8.1991 117.1719 53.2774 43.5774 175.8428 49 V 3.8016 7.6306 118.0634 63.2048 32.0869 174.9563 50 L 4.4239 9.0763 130.3726 57.2316 43.2220 176.2385 51 T 5.2766 7.7231 106.9515 59.9000 73.0562 172.5783 52 V 4.8514 8.6762 121.7224 61.3323 34.9756 173.9880 53 E 5.1351 9.2662 128.1920 55.5694 31.2050 175.3959 54 F 5.4048 8.8475 117.9790 55.8263 42.2453 172.7798 55 R 5.0086 9.4972 120.0922 54.1941 33.1046 175.7591 56 V 4.3850 7.9732 125.5563 61.8401 32.2790 177.2320 *58 G 3.9778 8.4165 107.6244 46.3684 0.0000 174.1516 59 I 4.2469 7.6629 122.8140 60.0988 38.4131 173.8895 60 P 4.6371 0.0000 0.0000 62.8495 32.6000 175.1374 61 C 5.1843 9.0756 121.2144 57.5238 32.7052 172.6239 62 L 5.0697 8.8762 122.7713 53.3653 44.9927 175.1750 63 G 4.7715 9.7024 114.3220 44.6879 0.0000 171.7988 64 L 5.0113 8.8998 127.5206 53.3592 44.4365 175.1743 65 N 5.0110 9.0557 125.3642 52.0626 38.0267 174.5616 66 G 3.6704 8.2174 109.6154 45.3266 0.0000 172.1024 67 G 4.1606 8.3495 110.8156 43.6806 0.0000 172.6938 68 P 4.6864 0.0000 0.0000 63.0557 31.5207 177.7128 69 A 3.8508 7.5786 122.2214 54.5299 18.2966 178.2914 70 F 4.7194 6.7473 113.1379 55.4606 41.3870 174.9932 71 R 4.6905 8.2299 122.9954 54.3688 32.4228 175.8644 72 H 4.4836 8.6441 119.2536 56.0766 29.7023 174.4631 73 S 4.7692 8.2273 115.0453 56.8377 65.9115 174.6432 74 E 4.3603 8.8134 119.1622 58.2029 29.2589 178.2853 75 A 4.1591 7.8326 121.6637 54.1169 18.6053 177.5555 76 F 4.9156 7.9053 116.5208 56.3674 41.5856 174.4079 77 S 3.7761 6.8949 119.9198 56.6003 66.1084 173.1385 78 F 4.2604 7.3406 120.4888 56.5084 40.1177 174.5219 79 Q 4.7055 8.5298 125.7318 54.6159 30.1438 174.5445 80 V 4.3004 8.9221 127.8829 61.2587 33.3846 174.4095 81 A 4.9585 8.6702 130.7089 51.6555 19.1563 176.3601 82 T 4.8363 8.5445 112.5832 60.4127 71.5344 175.0283 83 D 4.5783 9.2049 122.4680 55.5976 42.1542 176.3648 84 D 4.5462 7.3433 117.4194 51.5271 43.0856 175.7383 85 Q 3.9477 8.5286 119.0486 59.0100 28.9570 177.5981 86 A 3.9717 7.9148 121.5471 55.1757 18.5259 179.1041 87 E 3.9052 8.7534 118.0089 59.5960 29.7430 178.9457 88 T 3.9341 7.9675 115.8088 67.0114 68.4783 176.3234 89 D 4.4391 8.5584 121.0697 57.1138 40.8071 178.7991 90 R 3.8799 8.1206 119.2847 59.5167 30.1350 178.6878 91 L 3.8757 8.0250 118.7246 57.2431 41.6785 178.9743 92 W 4.2124 8.3839 128.3597 60.8908 30.6046 177.7557 93 N 4.4157 8.7718 116.2266 56.1192 37.7977 177.2530 94 A 4.0193 7.9623 122.1390 55.3090 18.1813 179.8394 95 I 3.7744 7.6084 118.1849 64.5473 37.2130 178.9901 96 V 3.4048 7.5914 119.0583 66.1094 31.1506 177.8526 97 D 4.4034 8.2449 117.5436 56.1139 41.9941 177.3215 98 N 4.5186 7.5987 119.8818 52.3090 35.2008 174.4363 99 G 3.7514 7.5228 106.0351 46.4486 0.0000 171.8908 100 G 4.4701 7.4266 108.3717 43.8255 0.0000 173.3926 101 E 4.8730 8.6314 117.7313 54.6896 34.1766 175.0740 102 E 4.2896 8.7541 122.5090 56.2845 30.6123 176.3765 103 S 4.6793 8.8777 116.8267 57.2555 65.3893 172.5545 104 A 4.5737 8.5660 120.3984 52.3691 20.2107 176.7961 105 C 4.2386 9.7203 115.1314 60.9978 25.7839 174.8106 106 G 4.1484 8.8457 107.5211 45.0688 0.0000 173.8237 107 W 5.2019 8.6627 120.6784 56.6120 30.8770 175.2828 108 C 5.0770 9.4699 117.6323 57.3447 33.4527 172.5166 109 R 5.3586 8.8577 116.9072 54.6481 34.0361 175.9628 110 D 5.1422 9.5023 123.6869 51.8368 41.1240 177.0981 111 K 3.6887 7.8875 118.9053 57.9782 31.7894 177.0102 112 W 4.7083 8.4369 115.8974 56.3015 29.3678 176.8404 113 G 4.1127 8.5577 107.2295 45.2190 0.0000 173.7911 114 I 4.1775 8.4234 121.6111 60.9688 38.7028 175.4864 115 S 5.0497 8.6661 122.6978 58.1212 64.4118 173.1600 116 W 5.1391 9.3853 123.4477 54.9126 33.2972 174.2304 117 Q 4.8779 9.0801 122.5429 54.3419 30.8159 174.8794 118 I 4.6771 8.9889 126.6287 60.2884 37.8936 175.2616 119 T 4.5215 8.9308 124.9791 60.6349 71.0033 171.9881 120 P 4.7612 0.0000 0.0000 62.2661 32.0393 178.0029 121 R 3.9152 9.0292 123.2894 59.6833 30.0306 179.9041 122 V 3.6780 7.7193 111.5678 64.0697 31.5126 178.2966 123 L 3.9247 7.6701 119.7302 58.2570 41.9817 178.8895 124 S 4.1583 7.9300 114.9082 61.7386 62.8674 176.6262 125 E 3.9192 8.4815 121.2517 59.2612 29.2615 179.3293 126 A 3.6804 7.8870 120.7040 55.2478 18.2514 179.8715 127 I 3.8045 7.8239 116.6882 63.6866 37.2423 177.5268 128 A 4.3823 7.4146 119.3115 51.1378 19.4647 177.3439 129 S 4.2537 7.0233 112.5380 57.3921 62.9880 172.7773 130 P 4.2655 0.0000 0.0000 65.0624 31.5409 176.5905 131 D 4.4722 7.9493 118.4327 53.6706 40.6411 176.1973 132 R 3.8620 8.3812 127.4872 59.0435 30.3042 177.8103 133 A 3.9175 7.9739 119.9205 55.1152 18.4959 179.3362 134 A 3.5809 7.8622 118.6123 55.0243 18.2355 179.6105 135 A 4.6943 8.0438 120.7037 54.9980 18.3845 179.9117 136 R 3.9820 8.2932 117.2797 59.5499 30.1521 178.9031 137 R 3.9421 8.1065 117.8246 59.2309 29.8377 178.9238 138 A 4.1257 8.0716 119.5852 55.0055 18.4856 179.0622 139 F 4.5072 8.3775 118.3609 61.7711 39.5717 176.9673 140 E 4.1572 8.4397 116.8160 58.3921 30.2830 178.4108 141 A 4.2582 7.7563 121.7747 52.3416 15.9575 177.0413 *144 T 4.0471 7.8375 113.1545 61.1102 71.5869 176.6517 *146 G 3.9425 8.1903 110.1472 46.1275 0.0000 174.4385 147 R 2.6347 8.2099 117.2662 55.4059 31.3534 175.4494 148 I 3.7465 7.7072 125.7113 60.9777 37.9634 175.4368 149 D 4.7878 8.3611 124.6138 52.6634 42.1563 176.7607 150 I 3.6715 9.0614 129.7377 64.4789 37.1740 178.3627 151 A 4.0921 7.9411 121.0470 55.4119 18.1774 179.7235 152 T 3.8313 8.2425 114.2517 66.7990 68.5296 176.9579 153 I 3.7444 7.7999 121.7150 64.5838 37.1445 178.3704 154 E 4.0301 8.7386 119.7235 59.1558 29.0304 179.3994 155 K 3.9580 8.1313 118.6903 59.4618 32.4071 178.3923 156 A 4.1631 7.9989 119.9288 55.2574 18.3745 179.0999 157 F 4.3385 8.2916 118.2108 61.0789 39.5648 175.5336 158 K 4.2602 8.1434 122.8733 56.6934 32.1872 176.1636 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 S 8.33 4.44 0.00 3.85 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 4 K 8.86 3.85 0.00 1.76 1.83 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.54 7.81 5 N 8.72 4.94 0.00 2.62 2.61 0.00 0.00 6.74 7.70 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 6 T 8.31 4.78 4.19 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 1.15 0.00 0.00 7 I 8.51 3.94 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.92 0.71 0.00 0.00 8 C 8.51 5.15 0.00 2.92 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 9 L 9.03 4.81 0.00 1.89 1.49 1.30 0.03 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 10 W 8.82 4.69 0.00 3.41 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 11 Y 9.12 4.88 0.00 3.06 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 12 D 9.12 5.18 0.00 3.01 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 13 S 8.70 3.86 0.00 4.21 4.07 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 14 A 7.82 4.54 1.50 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 15 A 8.58 2.63 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.43 3.59 0.00 1.63 1.52 0.80 0.79 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 17 E 7.86 3.74 0.00 2.04 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 2.59 2.47 0.00 18 A 6.93 2.00 -0.45 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 19 A 6.90 2.97 0.60 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 0.00 0.00 20 T 7.62 3.70 4.30 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 1.18 0.00 0.00 21 F 8.00 4.30 0.00 3.15 3.11 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 22 Y 7.84 4.29 0.00 3.21 3.11 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 23 A 8.02 4.12 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 24 E 7.95 4.03 0.00 1.98 1.94 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 2.31 2.41 0.00 25 T 6.99 3.79 3.13 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 -0.20 0.00 0.00 26 F 7.00 4.95 0.00 2.97 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 27 P 0.00 4.41 0.00 2.20 2.07 0.00 4.10 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 28 D 8.61 4.39 0.00 2.88 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 29 S 7.41 4.95 0.00 4.07 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 30 A 8.42 4.54 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 31 V 8.48 4.24 2.07 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 0.80 0.00 0.00 0.87 0.00 0.00 32 L 8.97 4.61 0.00 1.68 1.71 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.44 4.52 1.12 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 34 V 8.21 4.67 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 0.81 0.00 0.00 0.88 0.00 0.00 35 H 9.24 5.03 0.00 3.04 3.11 0.00 5.66 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 36 R 8.65 4.86 0.00 1.68 1.85 0.00 3.26 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 37 A 7.93 4.10 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 38 P 0.00 4.26 0.00 2.05 2.14 0.00 3.72 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 2.03 2.09 0.00 39 G 6.89 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 0.00 0.00 0.00 *48 D 8.20 4.53 0.00 2.74 2.69 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 49 V 7.63 3.80 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 0.77 0.00 0.00 0.89 0.00 0.00 50 L 9.08 4.42 0.00 1.79 1.74 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.72 5.28 4.28 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 1.18 0.00 0.00 52 V 8.68 4.85 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.87 0.00 0.00 53 E 9.27 5.14 0.00 1.99 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 2.32 2.35 0.00 54 F 8.85 5.40 0.00 3.31 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 55 R 9.50 5.01 0.00 1.85 1.83 0.00 3.16 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 56 V 7.97 4.39 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 0.57 0.00 0.00 1.20 0.00 0.00 *58 G 8.42 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 59 I 7.66 4.25 1.92 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 1.36 0.86 0.98 0.00 0.00 60 P 0.00 4.64 0.00 2.05 2.14 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 61 C 9.08 5.18 0.00 1.23 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 0.00 0.00 0.00 62 L 8.88 5.07 0.00 1.62 1.43 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 63 G 9.70 4.77 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 0.00 0.00 0.00 64 L 8.90 5.01 0.00 1.62 1.21 0.72 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 65 N 9.06 5.01 0.00 2.79 2.75 0.00 0.00 6.79 7.47 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 66 G 8.22 3.67 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 0.00 0.00 0.00 67 G 8.35 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 0.00 0.00 0.00 0.00 68 P 0.00 4.69 0.00 2.25 2.35 0.00 3.79 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 69 A 7.58 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 6.75 4.72 0.00 1.99 2.42 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 0.00 71 R 8.23 4.69 0.00 1.78 1.85 0.00 3.20 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 72 H 8.64 4.48 0.00 3.37 3.38 0.00 5.68 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 73 S 8.23 4.77 0.00 3.98 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.81 4.36 0.00 1.94 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 2.15 2.59 0.00 75 A 7.83 4.16 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 76 F 7.91 4.92 0.00 2.86 2.86 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 77 S 6.89 3.78 0.00 3.21 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 78 F 7.34 4.26 0.00 1.87 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.53 4.71 0.00 1.85 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 80 V 8.92 4.30 2.28 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 1.03 0.00 0.00 1.02 0.00 0.00 81 A 8.67 4.96 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 82 T 8.54 4.84 4.27 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 1.28 0.00 0.00 83 D 9.20 4.58 0.00 2.67 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 84 D 7.34 4.55 0.00 2.89 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 85 Q 8.53 3.95 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 86 A 7.91 3.97 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 87 E 8.75 3.91 0.00 2.10 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 2.34 2.37 0.00 88 T 7.97 3.93 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 1.23 0.00 0.00 89 D 8.56 4.44 0.00 2.80 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 90 R 8.12 3.88 0.00 1.98 2.08 0.00 3.04 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 91 L 8.02 3.88 0.00 1.87 1.80 1.11 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 92 W 8.38 4.21 0.00 3.55 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 93 N 8.77 4.42 0.00 2.91 3.05 0.00 0.00 6.99 8.77 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 94 A 7.96 4.02 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 95 I 7.61 3.77 1.71 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.72 0.87 0.00 0.00 96 V 7.59 3.40 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 0.94 0.00 0.00 0.12 0.00 0.00 97 D 8.24 4.40 0.00 2.74 2.69 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 98 N 7.60 4.52 0.00 2.46 2.33 0.00 0.00 7.14 8.77 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 99 G 7.52 3.75 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 0.00 100 G 7.43 4.47 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 0.00 101 E 8.63 4.87 0.00 1.83 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 2.20 2.43 0.00 102 E 8.75 4.29 0.00 1.99 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 0.00 2.40 2.38 0.00 103 S 8.88 4.68 0.00 3.95 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 0.00 104 A 8.57 4.57 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 0.00 105 C 9.72 4.24 0.00 3.34 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 0.00 106 G 8.85 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 0.00 0.00 0.00 0.00 107 W 8.66 5.20 0.00 3.52 3.31 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 0.00 108 C 9.47 5.08 0.00 2.61 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 0.00 0.00 0.00 109 R 8.86 5.36 0.00 1.79 1.91 0.00 3.22 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 110 D 9.50 5.14 0.00 3.28 3.33 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 0.00 111 K 7.89 3.69 0.00 1.20 0.74 0.00 1.05 0.00 0.00 0.61 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.89 7.81 112 W 8.44 4.71 0.00 4.07 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.56 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.42 4.18 2.70 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.63 0.82 0.00 0.00 115 S 8.67 5.05 0.00 3.99 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 0.00 116 W 9.39 5.14 0.00 3.26 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 0.00 117 Q 9.08 4.88 0.00 1.61 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 118 I 8.99 4.68 2.25 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.13 1.08 0.00 0.00 119 T 8.93 4.52 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 120 P 0.00 4.76 0.00 2.06 1.98 0.00 3.90 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 121 R 9.03 3.92 0.00 1.83 1.97 0.00 3.12 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 122 V 7.72 3.68 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 0.84 0.00 0.00 0.89 0.00 0.00 123 L 7.67 3.92 0.00 1.76 1.87 0.99 1.04 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 0.00 124 S 7.93 4.16 0.00 4.06 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 0.00 125 E 8.48 3.92 0.00 2.02 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 0.00 2.29 2.45 0.00 126 A 7.89 3.68 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 0.00 127 I 7.82 3.80 1.92 0.00 0.00 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 1.68 0.79 0.84 0.00 0.00 128 A 7.41 4.38 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 0.00 129 S 7.02 4.25 0.00 4.28 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 0.00 130 P 0.00 4.27 0.00 2.23 2.18 0.00 3.88 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 2.03 1.98 0.00 131 D 7.95 4.47 0.00 2.74 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 0.00 132 R 8.38 3.86 0.00 1.95 1.89 0.00 3.26 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 133 A 7.97 3.92 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 0.00 134 A 7.86 3.58 0.28 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 0.00 135 A 8.04 4.69 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 0.00 136 R 8.29 3.98 0.00 2.03 2.09 0.00 3.15 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 137 R 8.11 3.94 0.00 2.12 2.06 0.00 3.21 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 138 A 8.07 4.13 1.58 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 0.00 0.00 139 F 8.38 4.51 0.00 3.09 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 0.00 140 E 8.44 4.16 0.00 2.14 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 2.36 2.55 0.00 141 A 7.76 4.26 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 *144 T 7.84 4.05 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 1.22 0.00 0.00 *146 G 8.19 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 0.00 0.00 0.00 147 R 8.21 2.63 0.00 0.67 1.24 0.00 3.01 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.73 0.00 148 I 7.71 3.75 1.80 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 1.26 0.93 0.88 0.00 0.00 149 D 8.36 4.79 0.00 2.70 2.51 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 0.00 150 I 9.06 3.67 1.93 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 1.43 0.39 0.89 0.00 0.00 151 A 7.94 4.09 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 0.00 152 T 8.24 3.83 4.37 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 1.21 0.00 0.00 153 I 7.80 3.74 2.02 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 1.73 0.90 0.93 0.00 0.00 154 E 8.74 4.03 0.00 2.18 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 2.31 2.41 0.00 155 K 8.13 3.96 0.00 1.87 2.02 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 156 A 8.00 4.16 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 0.00 157 F 8.29 4.34 0.00 3.14 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 0.00 158 K 8.14 4.26 0.00 1.97 1.87 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.