NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4642 0.0000 0.0000 62.3627 33.0132 175.7341 6 T 4.0673 8.6367 123.1685 62.9331 69.6318 172.3127 7 K 4.7703 9.8999 127.8792 56.0030 33.9362 176.1485 8 V 3.8243 8.7352 127.3133 60.7309 35.2492 173.5686 *10 V 4.2055 8.1430 118.5437 62.8551 32.7173 174.7580 11 A 4.7329 8.5865 130.6065 51.2998 19.0494 176.8056 12 V 4.5199 8.6216 116.4363 59.6630 35.5557 174.6903 13 N 5.1046 8.4030 119.3950 51.3825 41.2949 173.0484 14 A 4.7628 8.4467 120.6291 51.1690 19.9568 177.2757 15 S 4.4516 8.6740 115.0166 58.1783 63.1065 174.5544 16 T 4.3669 8.2939 115.5972 61.9943 69.7651 175.2398 17 I 4.2369 7.6680 114.3195 62.1302 39.2088 176.4959 18 K 4.1487 8.0292 120.2374 55.1496 32.8378 176.4908 19 D 4.4903 8.6209 122.2552 54.6173 41.6991 175.5355 20 Y 4.6801 8.3889 122.5732 56.2908 38.8920 172.8376 21 P 4.8650 0.0000 0.0000 62.9992 32.0940 175.7329 22 N 4.2346 7.7984 116.8552 53.6372 39.3089 173.2905 23 P 4.8640 0.0000 0.0000 62.3091 32.5553 176.1795 24 S 4.3622 9.0760 116.2326 59.0568 63.5400 175.5702 25 I 3.7460 8.6419 123.3858 64.6631 36.8821 179.1196 26 S 4.1502 8.6074 115.4832 61.5875 62.8823 176.2587 27 C 4.2417 8.4425 118.2997 60.2743 29.5367 175.9008 28 K 4.3199 8.2848 122.4770 59.5275 31.8470 178.5699 29 R 4.0028 8.4253 119.1303 59.5196 29.9690 178.1275 30 A 4.0674 8.1930 120.3458 55.2577 18.4326 179.4468 31 F 4.1436 8.6186 119.1229 61.5835 39.4779 177.1513 32 E 3.9172 9.0315 118.7207 59.1576 29.2912 179.1835 33 W 3.9969 8.7808 128.7657 60.7925 30.7627 178.1559 34 T 3.9286 8.2381 115.7140 66.5334 67.7914 176.6885 35 L 3.6821 7.5989 121.0327 57.5186 41.4088 179.4478 36 E 3.7304 7.8973 116.3895 59.2394 29.7128 178.6691 37 K 3.8361 7.5691 117.8436 56.4982 32.4176 177.2991 38 I 3.9895 6.7442 117.2204 62.8811 38.9775 177.1503 39 V 2.5243 7.4649 119.7352 64.4517 32.3028 176.3740 40 R 3.4868 7.5167 119.6331 57.5922 28.7946 177.5512 41 S 4.3574 8.6113 117.5398 60.4351 64.3089 175.0202 42 N 4.7766 8.1197 122.5117 52.5408 36.7437 175.9028 43 T 4.1734 7.6469 109.0496 63.9250 69.9184 176.8964 44 S 4.4016 8.0197 116.5913 60.0588 63.4444 174.4420 45 D 4.4892 8.1558 119.6919 55.1068 41.1214 175.7899 46 F 5.3384 7.8727 116.5805 55.3942 43.1907 174.0644 47 K 4.8532 9.3737 122.8462 54.8318 35.6035 174.7122 48 I 4.8195 8.7162 127.9629 59.9998 39.1920 174.5560 49 L 5.1891 9.2800 128.1885 53.2083 43.5533 175.9867 50 L 4.4673 9.4086 126.5651 53.0982 43.4255 175.5737 51 L 4.1215 8.2582 126.5531 53.0285 44.7955 174.2832 52 H 5.2274 8.4072 126.0905 53.4896 32.4516 172.6289 53 V 4.5943 8.0453 125.3490 61.3091 33.0807 174.2847 54 Q 4.3704 8.8927 130.0378 54.0611 30.7438 176.0328 55 V 3.7733 7.9546 127.5127 62.8065 31.7144 176.9527 *66 S 3.9755 7.7843 113.5586 57.9910 62.2204 171.4054 67 I 4.4730 7.6134 126.2436 59.1072 39.4095 174.8943 68 Y 4.3885 8.5795 121.5293 56.1453 39.8890 175.3772 69 A 4.7611 8.7084 125.5658 51.9367 21.2252 175.9334 70 S 4.7773 7.7407 110.3680 56.3223 67.2472 173.2370 71 P 4.5870 0.0000 0.0000 66.1445 31.6869 178.4417 72 E 4.0079 8.6134 117.3005 60.0072 29.0794 179.2310 73 D 4.3941 7.8820 116.8314 57.0471 40.8320 178.4780 74 F 4.5002 7.9403 118.0105 60.2641 39.0002 177.7279 75 R 4.2400 8.0868 116.7519 59.1893 30.2737 179.3782 76 D 4.4057 8.0465 116.2869 55.0456 40.8284 178.4422 *78 R 4.4209 7.9401 118.3802 56.0137 31.9501 176.2103 79 Q 4.3664 7.7881 115.9358 55.4596 29.1568 176.2715 80 S 4.3869 7.6592 114.6576 57.5780 65.2939 174.5065 81 N 4.2173 8.5910 119.0030 56.6296 38.1491 177.4181 82 K 3.8698 8.1208 118.6814 59.4893 32.3072 178.6126 83 A 4.0184 7.7852 120.4649 55.6625 18.1694 179.9356 84 K 4.2960 8.6552 117.1041 59.3804 32.0758 179.7929 85 G 3.6441 8.5109 106.4332 47.9166 0.0000 175.7522 86 L 4.0327 8.1647 121.9818 57.8205 41.6564 179.3719 87 H 4.2781 8.0747 115.5968 58.5542 28.0058 177.7731 88 L 3.9241 7.8211 122.1983 58.1016 41.9343 178.8392 89 L 4.1258 7.8634 118.9076 57.9730 41.6296 179.0558 90 E 3.9164 8.6204 119.5406 59.2196 29.5883 178.4995 91 F 3.8619 8.1787 120.5975 61.5250 39.4123 177.2023 92 F 3.9228 7.8351 116.0734 60.0356 38.6397 178.1384 93 V 3.6957 8.1444 118.3416 65.9814 31.2221 177.8424 94 N 4.2901 8.1939 116.2649 56.2708 38.3354 177.4705 95 K 4.1656 7.5727 120.6703 59.1194 32.1346 179.2621 96 C 4.3973 8.4577 117.0226 63.1269 27.9769 175.5971 97 H 4.1865 8.5837 120.0788 59.2490 29.4427 177.0480 98 E 3.9787 8.6214 121.0193 58.8916 29.1560 178.4827 99 I 4.3835 7.3481 108.4113 60.3422 38.2390 176.3871 100 G 3.8166 7.5746 108.8545 45.8847 0.0000 173.2948 101 V 3.9906 7.7122 119.8260 61.6278 32.3232 176.4018 102 G 4.0403 8.7985 115.3383 46.8622 0.0000 171.8562 103 C 5.5741 8.4728 116.4062 56.9108 33.2162 172.8247 104 E 5.0239 9.5148 118.2200 54.7349 33.3171 174.8028 105 A 5.4294 8.8025 124.1731 50.3888 22.6508 174.8107 106 W 5.0691 8.6432 116.9141 56.0095 32.2303 173.0143 107 I 5.0049 8.5797 120.2398 59.5300 39.4259 175.3219 108 K 4.8737 8.6568 123.7458 55.0155 36.3806 174.9684 109 T 4.8991 9.1816 117.3618 62.5938 71.0244 174.7117 110 G 3.5785 7.6578 110.3918 44.6709 0.0000 172.8402 111 D 4.4048 8.5977 121.3996 53.0784 42.0296 175.6266 112 P 4.1750 0.0000 0.0000 65.8182 31.3337 178.6565 113 K 3.9098 7.7603 116.7618 59.8953 32.3004 178.5256 114 D 4.2916 7.6086 118.7149 57.0959 41.2985 178.2633 115 V 3.6069 8.1415 119.2401 65.8606 31.4440 177.8751 116 I 3.6987 8.0765 120.0208 64.7839 37.1240 178.1197 117 C 4.2219 7.9827 117.4133 63.0435 28.1240 176.1975 118 Q 4.0935 8.4178 119.8634 59.1029 28.2979 178.8787 119 E 4.1242 8.9355 119.9772 59.1955 29.4747 179.2426 120 V 3.6378 8.1435 118.7207 66.2608 31.3514 178.1523 121 K 4.0055 7.8679 117.1026 58.8807 32.0295 178.3149 122 R 4.1523 7.6140 118.0541 58.8496 30.3833 177.9780 123 V 3.7680 8.3988 116.6925 62.8088 33.0156 175.8449 124 R 3.8368 8.0392 116.6010 56.5501 27.6601 173.6922 125 P 4.6064 0.0000 0.0000 62.5188 32.8008 177.0685 126 D 4.8064 8.9330 120.2412 57.2053 41.1854 176.5819 127 F 5.2743 8.0029 110.4404 55.5790 41.5681 173.3737 128 L 4.6510 9.2431 121.9925 53.3414 44.4016 174.9340 129 V 4.6879 8.2610 125.9346 61.5276 33.5942 174.6559 130 V 4.7397 8.2745 120.2646 59.2799 35.6141 175.7854 131 G 4.4008 8.6400 111.5778 47.0163 0.0000 172.2953 132 S 4.7569 8.1391 112.0660 57.4817 65.2822 175.2580 133 R 4.1344 8.9606 124.9008 56.3218 30.4543 176.5427 134 G 3.8223 7.7788 105.5129 46.7498 0.0000 174.4528 135 L 4.3133 7.9991 116.5793 53.0511 40.4724 176.7033 136 G 3.7583 7.1276 116.9451 46.5146 0.0000 174.7678 *145 T 4.2254 6.7254 109.3434 60.7717 71.2477 176.4800 146 V 3.5667 8.1004 119.3968 65.3463 32.4751 177.7483 147 S 4.1372 8.0813 113.2979 61.5488 62.9086 176.0805 148 A 4.0315 7.9994 124.0332 54.6857 18.1323 179.2679 149 F 4.1580 8.2833 118.8366 61.5553 39.4378 177.2904 150 C 4.2222 8.5310 116.5511 62.8398 27.7227 176.1478 151 V 3.5762 7.5902 118.7329 65.9945 31.1471 177.7208 152 K 3.9795 7.6930 117.7166 58.8995 32.1195 177.0656 153 H 4.5641 7.7996 113.5848 55.6726 31.0099 174.5748 154 A 4.1303 7.9363 122.2955 52.7733 18.7121 177.3384 155 E 4.6884 8.4392 121.1667 55.4540 30.0457 175.4750 156 C 4.8300 7.6567 110.7194 56.3118 32.7960 172.3173 157 P 4.3647 0.0000 0.0000 63.7944 32.1704 175.8232 158 V 5.2000 8.1601 121.7367 60.4478 34.9509 173.6376 *160 T 4.3294 8.3922 108.8190 61.9231 70.0118 173.2615 161 I 4.2297 8.3330 126.7237 59.2269 39.8269 175.5700 162 K 4.9953 8.3019 126.0381 54.4179 33.6607 176.9344 163 R 4.2056 8.3152 120.4647 55.7333 31.1334 176.7585 164 N 4.5142 8.6080 116.9188 53.0363 39.2867 176.4263 165 A 4.0307 8.7135 123.9945 55.4415 18.5427 179.4485 166 D 4.5443 8.0696 113.1858 54.7996 39.9093 176.5445 167 E 4.5737 7.9659 116.3157 56.1297 30.0859 175.5876 168 T 4.2883 7.5553 117.5452 62.0725 69.0431 173.2589 169 P 4.4769 0.0000 0.0000 62.1273 32.1049 176.6091 170 S 4.0900 8.6916 115.4594 60.9558 63.0961 173.9517 171 D 4.6599 7.8967 121.6701 51.6418 40.8215 174.8317 172 P 4.3472 0.0000 0.0000 65.0268 31.6173 177.5938 173 A 4.0993 8.1553 122.0619 54.9509 18.4755 177.9815 174 D 4.5307 7.7793 115.6510 54.6338 41.6999 176.0114 175 D 4.1959 8.4034 121.0408 54.8267 41.4965 174.7284 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 5 P 0.00 4.46 0.00 1.94 2.04 0.00 3.62 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 1.91 2.10 0.00 6 T 8.64 4.07 3.92 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 1.54 0.00 0.00 7 K 9.90 4.77 0.00 1.71 1.79 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.55 7.81 8 V 8.74 3.82 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 0.27 0.00 0.00 1.05 0.00 0.00 *10 V 8.14 4.21 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 0.86 0.00 0.00 0.97 0.00 0.00 11 A 8.59 4.73 1.17 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 0.00 0.00 12 V 8.62 4.52 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 0.03 0.00 0.00 0.82 0.00 0.00 13 N 8.40 5.10 0.00 2.74 2.89 0.00 0.00 6.04 7.46 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 14 A 8.45 4.76 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 15 S 8.67 4.45 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 16 T 8.29 4.37 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 1.20 0.00 0.00 17 I 7.67 4.24 1.87 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 1.41 0.69 0.91 0.00 0.00 18 K 8.03 4.15 0.00 1.72 1.74 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.36 7.81 19 D 8.62 4.49 0.00 2.67 2.52 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 20 Y 8.39 4.68 0.00 3.09 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.86 0.00 2.11 1.95 0.00 3.48 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.51 0.00 22 N 7.80 4.23 0.00 2.86 2.65 0.00 0.00 6.81 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 23 P 0.00 4.86 0.00 2.13 1.99 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.62 0.00 24 S 9.08 4.36 0.00 4.21 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 0.00 25 I 8.64 3.75 2.03 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 1.58 0.79 0.99 0.00 0.00 26 S 8.61 4.15 0.00 4.12 4.20 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 27 C 8.44 4.24 0.00 3.26 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 28 K 8.28 4.32 0.00 2.09 2.09 0.00 1.50 0.00 0.00 1.59 0.00 0.00 3.25 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.67 1.70 7.81 29 R 8.43 4.00 0.00 2.16 2.19 0.00 3.33 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 30 A 8.19 4.07 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.62 4.14 0.00 3.07 3.51 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 32 E 9.03 3.92 0.00 2.34 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 2.45 2.64 0.00 33 W 8.78 4.00 0.00 3.50 3.42 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 34 T 8.24 3.93 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 35 L 7.60 3.68 0.00 1.56 1.48 0.62 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.90 3.73 0.00 1.93 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 2.38 2.00 0.00 37 K 7.57 3.84 0.00 0.79 1.08 0.00 1.39 0.00 0.00 1.37 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.46 0.69 7.81 38 I 6.74 3.99 1.74 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 0.93 0.99 0.70 0.00 0.00 39 V 7.46 2.52 1.91 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 0.89 0.00 0.00 0.46 0.00 0.00 40 R 7.52 3.49 0.00 1.88 1.66 0.00 3.21 0.00 0.00 3.21 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.37 0.00 41 S 8.61 4.36 0.00 3.97 3.95 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 42 N 8.12 4.78 0.00 3.10 3.10 0.00 0.00 6.69 6.57 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 43 T 7.65 4.17 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 1.24 0.00 0.00 44 S 8.02 4.40 0.00 3.90 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 45 D 8.16 4.49 0.00 3.05 2.20 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 46 F 7.87 5.34 0.00 2.89 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 47 K 9.37 4.85 0.00 1.80 1.65 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.45 7.81 48 I 8.72 4.82 2.02 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 1.33 0.94 1.08 0.00 0.00 49 L 9.28 5.19 0.00 1.60 2.05 1.08 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 50 L 9.41 4.47 0.00 1.45 1.39 0.99 0.04 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 51 L 8.26 4.12 0.00 0.80 1.08 0.43 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.41 5.23 0.00 3.21 3.05 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.05 4.59 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 0.85 0.00 0.00 0.84 0.00 0.00 54 Q 8.89 4.37 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 55 V 7.95 3.77 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 0.80 0.00 0.00 0.88 0.00 0.00 *66 S 7.78 3.98 0.00 3.89 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 67 I 7.61 4.47 1.75 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 1.39 0.71 0.89 0.00 0.00 68 Y 8.58 4.39 0.00 2.72 2.27 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 69 A 8.71 4.76 1.23 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 0.00 0.00 70 S 7.74 4.78 0.00 3.96 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 71 P 0.00 4.59 0.00 2.25 2.20 0.00 3.69 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 72 E 8.61 4.01 0.00 2.03 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 2.44 2.46 0.00 73 D 7.88 4.39 0.00 2.63 2.53 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 74 F 7.94 4.50 0.00 3.29 3.09 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 75 R 8.09 4.24 0.00 2.02 2.05 0.00 3.28 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 1.70 1.82 0.00 76 D 8.05 4.41 0.00 2.95 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 *78 R 7.94 4.42 0.00 2.06 2.14 0.00 3.24 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 79 Q 7.79 4.37 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.94 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 80 S 7.66 4.39 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.59 4.22 0.00 2.81 2.92 0.00 0.00 6.80 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 82 K 8.12 3.87 0.00 1.81 1.89 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.75 7.81 83 A 7.79 4.02 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 84 K 8.66 4.30 0.00 1.92 1.88 0.00 1.58 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.80 1.33 7.81 85 G 8.51 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 0.00 0.00 0.00 86 L 8.16 4.03 0.00 1.64 1.70 0.94 1.33 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 87 H 8.07 4.28 0.00 3.30 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.82 3.92 0.00 1.92 1.82 0.96 0.80 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 89 L 7.86 4.13 0.00 2.05 1.77 0.94 0.89 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 90 E 8.62 3.92 0.00 2.15 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 2.31 2.34 0.00 91 F 8.18 3.86 0.00 3.02 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 92 F 7.84 3.92 0.00 3.13 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.14 3.70 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 1.15 0.00 0.00 1.06 0.00 0.00 94 N 8.19 4.29 0.00 2.83 2.70 0.00 0.00 7.02 7.63 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 95 K 7.57 4.17 0.00 2.10 2.15 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.88 1.16 7.81 96 C 8.46 4.40 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 97 H 8.58 4.19 0.00 3.35 3.50 0.00 5.79 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 98 E 8.62 3.98 0.00 2.29 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 99 I 7.35 4.38 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 1.66 0.67 0.90 0.00 0.00 100 G 7.57 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 0.00 0.00 0.00 101 V 7.71 3.99 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 0.91 0.00 0.00 0.94 0.00 0.00 102 G 8.80 4.04 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 0.00 0.00 0.00 103 C 8.47 5.57 0.00 3.17 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 0.00 104 E 9.51 5.02 0.00 2.07 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 2.28 2.31 0.00 105 A 8.80 5.43 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 0.00 106 W 8.64 5.07 0.00 3.42 3.26 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 0.00 107 I 8.58 5.00 1.95 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 1.42 0.71 0.94 0.00 0.00 108 K 8.66 4.87 0.00 1.71 1.72 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 3.49 0.00 0.00 0.00 0.00 1.68 1.82 7.81 109 T 9.18 4.90 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 1.25 0.00 0.00 110 G 7.66 3.58 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 0.00 111 D 8.60 4.40 0.00 2.73 2.47 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 0.00 112 P 0.00 4.18 0.00 2.11 2.03 0.00 3.56 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 113 K 7.76 3.91 0.00 1.65 1.84 0.00 0.97 0.00 0.00 1.45 0.00 0.00 2.36 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.10 0.21 7.81 114 D 7.61 4.29 0.00 2.65 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 0.00 115 V 8.14 3.61 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 0.81 0.00 0.00 1.04 0.00 0.00 116 I 8.08 3.70 1.92 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 1.48 0.57 0.95 0.00 0.00 117 C 7.98 4.22 0.00 3.29 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 0.00 118 Q 8.42 4.09 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 119 E 8.94 4.12 0.00 2.23 2.26 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 2.63 2.66 0.00 120 V 8.14 3.64 2.32 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 1.05 0.00 0.00 1.08 0.00 0.00 121 K 7.87 4.01 0.00 1.87 2.15 0.00 1.97 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.47 7.81 122 R 7.61 4.15 0.00 1.92 1.97 0.00 3.28 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 123 V 8.40 3.77 2.32 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 0.99 0.00 0.00 0.98 0.00 0.00 124 R 8.04 3.84 0.00 1.97 1.95 0.00 3.24 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 125 P 0.00 4.61 0.00 2.38 2.12 0.00 4.00 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 126 D 8.93 4.81 0.00 2.90 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 0.00 127 F 8.00 5.27 0.00 3.21 2.91 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 0.00 0.00 0.00 0.00 128 L 9.24 4.65 0.00 1.80 1.63 0.92 0.90 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 0.00 129 V 8.26 4.69 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 1.02 0.00 0.00 1.04 0.00 0.00 130 V 8.27 4.74 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 0.81 0.00 0.00 0.95 0.00 0.00 131 G 8.64 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 0.00 132 S 8.14 4.76 0.00 3.86 3.62 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 0.00 133 R 8.96 4.13 0.00 1.84 2.11 0.00 3.59 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 134 G 7.78 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 0.00 0.00 0.00 135 L 8.00 4.31 0.00 1.63 1.68 0.92 0.91 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 0.00 136 G 7.13 3.76 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 0.00 0.00 0.00 *145 T 6.73 4.23 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 1.20 0.00 0.00 146 V 8.10 3.57 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 1.08 0.00 0.00 0.88 0.00 0.00 147 S 8.08 4.14 0.00 4.10 4.29 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 0.00 148 A 8.00 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 0.00 149 F 8.28 4.16 0.00 3.30 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 0.00 150 C 8.53 4.22 0.00 3.22 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 0.00 151 V 7.59 3.58 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 0.77 0.00 0.00 1.02 0.00 0.00 152 K 7.69 3.98 0.00 1.76 1.78 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.83 1.23 7.81 153 H 7.80 4.56 0.00 2.56 2.98 0.00 5.73 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 0.00 154 A 7.94 4.13 1.30 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 0.00 0.00 155 E 8.44 4.69 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 156 C 7.66 4.83 0.00 3.02 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 0.00 157 P 0.00 4.36 0.00 2.18 2.04 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 158 V 8.16 5.20 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 1.18 0.00 0.00 1.06 0.00 0.00 *160 T 8.39 4.33 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 1.21 0.00 0.00 161 I 8.33 4.23 1.75 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 0.34 0.83 0.63 0.00 0.00 162 K 8.30 5.00 0.00 1.57 1.69 0.00 1.75 0.00 0.00 0.61 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.24 7.81 163 R 8.32 4.21 0.00 1.80 1.87 0.00 3.22 0.00 0.00 3.45 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 164 N 8.61 4.51 0.00 2.95 2.77 0.00 0.00 7.17 8.48 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 0.00 165 A 8.71 4.03 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 0.00 166 D 8.07 4.54 0.00 2.81 2.82 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 0.00 167 E 7.97 4.57 0.00 2.11 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 2.40 2.25 0.00 168 T 7.56 4.29 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 169 P 0.00 4.48 0.00 2.25 1.98 0.00 3.69 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.07 0.00 170 S 8.69 4.09 0.00 3.97 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 0.00 171 D 7.90 4.66 0.00 2.69 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 0.00 172 P 0.00 4.35 0.00 2.21 2.17 0.00 3.82 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 1.98 1.96 0.00 173 A 8.16 4.10 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 0.00 174 D 7.78 4.53 0.00 2.85 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 D 8.40 4.20 0.00 2.79 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 * Residues marked with a * may have inaccurate shift predictions.