NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2190 8.3349 115.3838 57.5495 64.3378 173.3998 3 F 4.2224 8.4041 120.2275 59.7497 38.7592 174.1595 4 L 4.5349 8.2972 121.8737 52.5988 41.7119 175.9078 5 L 4.1215 8.0647 123.3384 53.4324 42.5322 175.6685 6 P 4.4359 0.0000 0.0000 63.0832 32.4699 175.0840 7 K 5.0724 8.5841 121.3703 55.0756 34.2604 175.6226 8 L 4.9585 8.9445 124.2635 52.9078 44.4425 177.0899 9 T 4.5371 9.1638 113.0061 60.3019 69.7748 173.9582 10 S 5.1987 7.5782 116.8057 56.7818 66.9266 174.5044 11 K 4.0665 8.7190 123.4662 59.9460 31.8750 178.8732 12 K 4.0408 8.0470 119.1771 59.4539 32.1714 178.5072 13 E 3.9008 8.1665 119.0758 59.1759 29.2619 179.4691 14 V 3.2525 7.7175 118.4019 65.7679 31.5439 177.6286 15 D 4.3450 8.4128 119.1441 57.6398 40.6578 178.7996 16 Q 3.8729 8.1900 119.6283 59.0734 28.8872 178.0910 17 A 3.7261 7.8141 121.8092 54.9784 18.0234 179.6149 18 I 3.3492 7.3622 117.6545 64.4593 37.1822 178.5277 19 K 4.1363 7.7773 118.4103 58.6665 32.0276 178.7703 20 S 4.6387 7.9276 112.5498 58.2125 63.5822 174.1924 21 T 4.2167 7.2038 120.0826 62.4759 68.0077 173.7524 22 A 4.6338 8.2805 129.7578 51.3199 21.0183 176.0667 23 E 4.2663 9.3470 121.3251 56.8465 27.6957 174.3308 24 K 5.1243 6.9317 115.7182 54.6033 36.8515 176.3391 25 V 4.3150 9.4512 123.5608 63.1866 32.7351 174.6130 26 L 4.9352 9.3525 131.2694 54.4145 43.5633 175.2139 27 V 4.6936 9.1152 127.2705 61.4558 33.6131 174.3979 28 L 4.7993 8.8162 129.8441 53.0906 43.6468 176.1900 29 R 4.5152 8.6539 126.7874 55.1824 31.1623 175.1837 30 F 4.6930 9.4591 127.6879 57.2788 40.5041 175.5875 31 G 4.3747 8.1396 110.6364 46.7082 0.0000 171.5872 32 R 5.0484 8.0363 118.2055 54.3526 33.6540 176.1539 33 D 4.4462 8.8726 122.3714 56.9461 41.0465 177.1762 34 E 4.2766 7.9860 116.4686 57.1493 30.3875 176.6322 35 D 4.4683 7.9297 119.9118 53.2290 42.7607 174.5052 36 P 4.2284 0.0000 0.0000 66.1072 31.3912 179.0552 37 V 3.6714 7.8414 116.1603 65.9367 31.4896 177.6487 38 C 4.1418 8.7359 117.0259 62.7336 28.0217 175.9854 39 L 4.0061 8.4189 121.0026 57.7806 40.8899 179.6029 40 Q 3.9713 8.0539 117.9288 58.9886 28.6833 178.6914 41 L 4.1055 8.0441 122.7760 57.8197 42.0852 178.7455 42 D 4.4246 8.8256 119.1278 56.9999 40.6224 178.2801 43 D 4.3023 8.0411 118.7416 57.3680 41.2754 178.3132 44 I 3.7155 7.4566 120.0254 64.3734 36.9827 178.4017 45 L 3.7461 8.1655 120.1879 57.6594 41.1995 179.5157 46 S 4.1303 8.1429 112.1719 61.5664 62.5397 176.3049 47 K 4.3174 8.2373 119.4163 58.5415 32.0885 178.3768 48 T 4.5008 7.9076 109.0567 61.9276 69.3769 176.6302 49 S 4.1695 7.7601 117.3226 61.8329 63.1586 176.4596 50 S 4.1489 7.8872 118.1216 61.3807 62.5717 175.9035 51 D 4.5062 7.9611 118.0648 55.8647 41.0611 176.8244 52 L 4.3667 7.7828 119.2678 54.5549 41.9026 178.5455 53 S 4.2584 7.7696 114.5366 60.7122 62.9965 175.7888 54 K 4.1222 7.8993 119.3553 58.3483 32.3537 177.0933 55 M 4.2546 8.0117 117.0697 55.1524 34.5023 175.6017 56 A 5.3005 7.8430 117.8802 50.3780 22.7765 175.2437 57 A 4.6929 9.3157 122.1718 50.1850 21.8938 175.2233 58 I 4.9793 8.3308 123.1862 59.8986 39.5802 174.8684 59 Y 4.9007 9.0447 122.9040 56.2221 42.5488 174.2569 60 L 4.7799 8.9295 122.9109 53.2755 43.9487 175.5001 61 V 4.4372 8.6806 125.0668 61.0408 33.6746 174.2171 62 D 4.8195 8.7308 128.5334 53.5994 41.1912 177.2728 63 V 4.3241 8.4392 119.5238 62.8883 31.7348 177.0632 64 D 4.7912 8.8980 119.0297 54.4726 41.0086 176.7676 65 Q 4.6507 7.9481 116.3270 55.8712 31.1748 175.7236 66 T 4.7424 7.5704 112.9804 62.4218 72.7818 173.9141 67 A 4.6989 8.5385 124.4013 51.1156 21.7626 178.5080 68 V 3.5634 8.2632 116.4403 65.6641 31.0749 178.1966 69 Y 3.9550 8.1499 117.5926 60.2019 37.7298 178.3459 70 T 3.7375 7.9468 110.6200 64.8570 68.9104 176.1972 71 Q 3.8813 8.0186 122.4281 58.9078 28.8716 177.4271 72 Y 4.0079 7.6278 119.5006 60.1756 38.7488 177.1857 73 F 4.6180 7.8693 115.7502 55.9239 39.9451 175.1902 74 D 4.2595 7.7975 116.7160 55.1531 39.8385 174.1020 75 I 4.1499 7.8674 118.9241 60.7479 37.9606 176.5442 76 S 4.3901 8.5003 120.5790 58.4006 64.9109 173.9924 77 Y 4.8042 7.5135 116.3168 55.8115 41.2906 174.4326 78 I 4.7578 8.1818 116.3914 57.9962 40.5716 173.5010 79 P 4.8384 0.0000 0.0000 63.1751 32.9600 175.0282 80 S 5.1488 9.0694 116.9732 57.1789 66.5376 173.0148 81 T 5.1444 9.1110 121.3765 61.7301 71.2125 173.3539 82 V 4.5486 8.6297 125.7787 60.9588 34.7936 174.0644 83 F 5.6687 8.6800 124.3543 55.9436 42.1812 174.2915 84 F 5.5185 9.6857 120.4676 55.9967 43.9381 173.8396 85 F 4.8609 9.5884 123.0204 57.3238 42.6841 174.3310 86 N 4.0732 9.5562 124.8803 54.4022 35.9587 175.2837 87 G 4.1407 8.7459 104.5295 45.3683 0.0000 173.6012 88 Q 4.9203 8.0782 118.9766 53.7330 31.5573 174.6587 89 H 3.5000 8.7854 121.7509 56.4134 30.4582 173.9428 90 M 4.7334 8.2706 126.2369 53.7551 33.6957 175.7536 91 K 4.7828 8.8385 122.7632 55.0900 35.4010 175.6729 92 V 4.5259 8.5309 121.9150 61.2038 35.1020 173.8927 93 D 4.3470 8.6763 128.4974 53.4949 41.1674 176.2233 94 Y 4.3416 8.4285 123.5730 58.6004 38.4521 176.8957 95 G 4.0597 8.9700 109.0393 44.8995 0.0000 173.3707 96 S 4.8707 7.7617 113.6862 55.5314 65.6095 173.3833 97 P 4.1171 0.0000 0.0000 64.8388 31.2083 176.3224 98 D 4.6240 7.3729 115.2173 53.4152 40.9548 175.5737 99 H 5.4869 8.8436 123.2518 55.9189 29.4546 177.3380 100 T 4.2719 8.5288 110.4009 63.5608 69.2093 174.7809 101 K 4.9609 7.8370 119.0570 55.4480 35.8604 175.1276 102 F 4.2398 9.3784 125.0059 57.0076 40.9177 174.3802 103 V 4.2147 7.4195 126.1730 62.7189 32.6955 175.4179 104 G 3.6135 8.6907 115.9134 44.2212 0.0000 171.9623 105 S 4.7949 8.1262 112.3394 56.1125 64.5775 174.6195 106 F 4.4174 8.3227 124.0339 57.2254 39.4299 175.8161 107 K 4.2245 8.9571 125.8786 59.1204 32.5424 176.9843 108 T 4.8357 7.6071 106.5039 58.5852 72.2394 174.3358 109 K 3.9873 8.9849 122.2204 60.2344 31.9599 179.2477 110 Q 3.9797 8.0745 118.8219 59.0400 29.0170 177.6816 111 D 4.3610 8.2001 120.2180 57.2899 40.7961 178.5736 112 F 3.4077 7.6388 119.5930 60.8998 39.2785 177.0603 113 I 3.3436 7.6683 119.4197 64.6212 37.0201 178.0731 114 D 4.4089 8.2546 119.8239 57.1483 40.4932 178.7662 115 L 3.7594 7.6833 120.6931 58.2508 42.1453 179.0587 116 I 3.3683 7.3482 119.9703 64.1712 36.9180 178.1272 117 E 3.8783 8.0529 119.4339 59.5395 29.3215 179.7249 118 V 3.5308 7.5527 117.8658 65.9226 31.5086 178.1183 119 I 3.5259 7.8017 119.8378 64.3580 36.8404 177.7518 120 Y 3.8259 8.3310 120.6692 60.6735 38.6128 178.0529 121 R 3.7827 8.1346 119.6957 59.3452 30.1480 178.7206 122 G 3.4119 8.0757 105.2841 47.6672 0.0000 175.5748 123 A 3.9431 7.7740 124.9850 54.4585 17.9689 179.6740 124 M 3.7648 7.2678 116.2741 57.7501 31.9320 178.1145 125 R 4.3372 7.1592 115.8860 55.7193 30.4989 177.3005 126 G 3.9145 7.8474 107.5834 45.0401 0.0000 174.4448 127 K 4.2180 7.9067 119.4912 56.3070 32.7638 177.2611 128 L 4.6771 8.3304 118.8160 54.4065 44.6244 175.9099 129 I 5.0259 7.6803 118.0577 59.1540 40.9006 174.5949 130 V 4.5060 8.3526 120.6867 59.4518 36.3712 174.0422 131 Q 4.4274 8.3396 123.3987 54.8334 29.6938 175.3469 132 S 4.2766 8.4677 122.4195 58.1444 62.7830 172.2961 133 P 4.5904 0.0000 0.0000 63.0715 31.9858 176.0380 134 I 4.0103 7.5814 121.4036 60.7414 37.8942 175.3753 135 D 4.4733 8.6898 124.5176 53.6803 41.8185 175.1972 136 P 4.5803 0.0000 0.0000 65.4473 31.5349 178.4619 137 K 4.0763 8.6306 116.8007 59.0932 32.3939 177.2688 138 N 4.7794 8.4005 115.5959 52.9599 39.0582 174.5088 139 I 4.3390 7.4901 120.8620 59.1134 37.8508 174.0842 140 P 4.2250 0.0000 0.0000 62.8172 31.6705 175.7341 141 K 4.4687 8.1495 123.9357 55.1788 34.5170 176.4787 *142 Y 4.0747 8.1312 120.5248 57.6892 37.6354 170.6555 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 2 S 8.33 4.22 0.00 3.91 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 3 F 8.40 4.22 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.30 4.53 0.00 1.69 1.65 0.95 0.80 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 5 L 8.06 4.12 0.00 1.60 1.51 0.91 1.08 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 6 P 0.00 4.44 0.00 2.16 2.09 0.00 3.53 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.43 0.00 7 K 8.58 5.07 0.00 1.67 1.77 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.45 7.81 8 L 8.94 4.96 0.00 1.39 1.41 0.41 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 9 T 9.16 4.54 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 1.27 0.00 0.00 10 S 7.58 5.20 0.00 4.04 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 11 K 8.72 4.07 0.00 1.88 1.90 0.00 1.74 0.00 0.00 2.04 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.40 7.81 12 K 8.05 4.04 0.00 1.87 1.79 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.52 7.81 13 E 8.17 3.90 0.00 2.18 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 2.30 2.29 0.00 14 V 7.72 3.25 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 0.05 0.00 0.00 0.76 0.00 0.00 15 D 8.41 4.35 0.00 2.86 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 16 Q 8.19 3.87 0.00 2.18 2.17 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 2.31 2.35 0.00 17 A 7.81 3.73 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 18 I 7.36 3.35 1.77 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.13 0.66 0.00 0.00 19 K 7.78 4.14 0.00 1.83 1.84 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.55 7.81 20 S 7.93 4.64 0.00 4.00 4.03 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 0.00 0.00 0.00 21 T 7.20 4.22 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 1.27 0.00 0.00 22 A 8.28 4.63 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 23 E 9.35 4.27 0.00 2.12 2.17 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 2.22 2.44 0.00 24 K 6.93 5.12 0.00 1.50 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.60 7.81 25 V 9.45 4.32 2.31 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 1.30 0.00 0.00 1.23 0.00 0.00 26 L 9.35 4.94 0.00 1.91 1.75 1.01 0.68 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 27 V 9.12 4.69 2.31 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 1.19 0.00 0.00 1.39 0.00 0.00 28 L 8.82 4.80 0.00 1.67 1.24 0.85 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.65 4.52 0.00 1.85 1.79 0.00 3.26 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 30 F 9.46 4.69 0.00 3.27 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 31 G 8.14 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 0.00 0.00 0.00 0.00 32 R 8.04 5.05 0.00 1.85 1.80 0.00 3.16 0.00 0.00 3.60 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 33 D 8.87 4.45 0.00 2.67 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 34 E 7.99 4.28 0.00 1.96 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 2.28 2.29 0.00 35 D 7.93 4.47 0.00 2.76 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 36 P 0.00 4.23 0.00 2.19 2.10 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 37 V 7.84 3.67 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 1.12 0.00 0.00 0.91 0.00 0.00 38 C 8.74 4.14 0.00 3.23 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 39 L 8.42 4.01 0.00 1.84 1.72 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.05 3.97 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 41 L 8.04 4.11 0.00 1.77 1.82 1.01 1.33 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 42 D 8.83 4.42 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.04 4.30 0.00 2.88 2.78 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 44 I 7.46 3.72 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.66 0.87 0.00 0.00 45 L 8.17 3.75 0.00 1.73 1.64 0.93 -0.12 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 46 S 8.14 4.13 0.00 3.92 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 47 K 8.24 4.32 0.00 1.88 1.92 0.00 1.99 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.52 7.81 48 T 7.91 4.50 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 1.33 0.00 0.00 49 S 7.76 4.17 0.00 3.98 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 0.00 50 S 7.89 4.15 0.00 3.81 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.96 4.51 0.00 2.65 2.68 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 52 L 7.78 4.37 0.00 1.78 1.61 0.78 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.77 4.26 0.00 3.93 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 54 K 7.90 4.12 0.00 1.63 1.81 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.39 7.81 55 M 8.01 4.25 0.00 1.54 1.77 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.81 0.00 56 A 7.84 5.30 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 57 A 9.32 4.69 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 58 I 8.33 4.98 1.86 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 1.57 0.79 0.95 0.00 0.00 59 Y 9.04 4.90 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.93 4.78 0.00 1.56 1.56 0.91 0.75 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 61 V 8.68 4.44 1.07 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 0.63 0.00 0.00 0.31 0.00 0.00 62 D 8.73 4.82 0.00 2.82 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 63 V 8.44 4.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 1.06 0.00 0.00 64 D 8.90 4.79 0.00 2.78 2.72 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 65 Q 7.95 4.65 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 66 T 7.57 4.74 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 67 A 8.54 4.70 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 68 V 8.26 3.56 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 0.94 0.00 0.00 0.61 0.00 0.00 69 Y 8.15 3.96 0.00 3.40 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 70 T 7.95 3.74 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 1.40 0.00 0.00 71 Q 8.02 3.88 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 72 Y 7.63 4.01 0.00 2.65 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 7.87 4.62 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 74 D 7.80 4.26 0.00 2.73 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 75 I 7.87 4.15 1.91 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.80 0.90 0.00 0.00 76 S 8.50 4.39 0.00 3.24 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 77 Y 7.51 4.80 0.00 2.94 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 78 I 8.18 4.76 1.94 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 1.52 0.72 1.03 0.00 0.00 79 P 0.00 4.84 0.00 2.18 2.25 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 80 S 9.07 5.15 0.00 3.82 3.77 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 81 T 9.11 5.14 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 1.07 0.00 0.00 82 V 8.63 4.55 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 0.60 0.00 0.00 0.48 0.00 0.00 83 F 8.68 5.67 0.00 3.17 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 84 F 9.69 5.52 0.00 3.06 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 85 F 9.59 4.86 0.00 3.06 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 86 N 9.56 4.07 0.00 2.96 2.86 0.00 0.00 7.30 7.65 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 87 G 8.75 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.08 4.92 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 89 H 8.79 3.50 0.00 2.55 3.11 0.00 5.90 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 M 8.27 4.73 0.00 1.88 2.04 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.76 0.00 91 K 8.84 4.78 0.00 1.67 1.71 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.43 7.81 92 V 8.53 4.53 1.57 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 0.26 0.00 0.00 0.79 0.00 0.00 93 D 8.68 4.35 0.00 2.51 2.38 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 94 Y 8.43 4.34 0.00 3.17 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.97 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 96 S 7.76 4.87 0.00 4.03 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 97 P 0.00 4.12 0.00 2.06 2.14 0.00 3.68 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 2.08 0.00 98 D 7.37 4.62 0.00 2.73 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 99 H 8.84 5.49 0.00 3.30 3.34 0.00 5.96 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.53 4.27 4.35 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 1.30 0.00 0.00 101 K 7.84 4.96 0.00 1.84 1.75 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.47 7.81 102 F 9.38 4.24 0.00 3.11 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 0.00 103 V 7.42 4.21 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 0.74 0.00 0.00 0.87 0.00 0.00 104 G 8.69 3.61 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 0.00 0.00 0.00 105 S 8.13 4.79 0.00 3.86 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 0.00 106 F 8.32 4.42 0.00 3.12 3.03 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 0.00 0.00 0.00 107 K 8.96 4.22 0.00 1.78 2.14 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.55 7.81 108 T 7.61 4.84 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 1.26 0.00 0.00 109 K 8.98 3.99 0.00 1.85 1.97 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.57 7.81 110 Q 8.07 3.98 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.77 0.00 111 D 8.20 4.36 0.00 3.08 2.84 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 0.00 0.00 0.00 112 F 7.64 3.41 0.00 2.25 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.67 3.34 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.54 0.83 0.00 0.00 114 D 8.25 4.41 0.00 2.78 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 0.00 115 L 7.68 3.76 0.00 1.73 1.49 0.83 1.01 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 0.00 116 I 7.35 3.37 1.40 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 -0.36 0.74 0.00 0.00 117 E 8.05 3.88 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 2.24 2.30 0.00 118 V 7.55 3.53 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 1.00 0.00 0.00 0.91 0.00 0.00 119 I 7.80 3.53 1.68 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.40 0.83 0.00 0.00 120 Y 8.33 3.83 0.00 3.06 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 0.00 121 R 8.13 3.78 0.00 2.02 1.85 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 122 G 8.08 3.41 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 0.00 123 A 7.77 3.94 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 M 7.27 3.76 0.00 1.73 1.87 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 125 R 7.16 4.34 0.00 1.78 1.87 0.00 3.11 0.00 0.00 3.15 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 126 G 7.85 3.91 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 0.00 0.00 0.00 127 K 7.91 4.22 0.00 1.75 1.65 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.47 7.81 128 L 8.33 4.68 0.00 1.55 1.64 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 129 I 7.68 5.03 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.84 0.87 0.00 0.00 130 V 8.35 4.51 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 0.52 0.00 0.00 0.81 0.00 0.00 131 Q 8.34 4.43 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 132 S 8.47 4.28 0.00 3.74 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 0.00 133 P 0.00 4.59 0.00 2.19 2.10 0.00 3.80 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 1.92 2.01 0.00 134 I 7.58 4.01 2.08 0.00 0.00 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 1.27 0.63 1.08 0.00 0.00 135 D 8.69 4.47 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.58 0.00 2.25 2.16 0.00 3.70 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 137 K 8.63 4.08 0.00 1.87 2.09 0.00 1.61 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.45 7.81 138 N 8.40 4.78 0.00 2.92 3.10 0.00 0.00 6.96 7.43 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 0.00 139 I 7.49 4.34 2.06 0.00 0.00 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 1.61 0.98 0.91 0.00 0.00 140 P 0.00 4.22 0.00 1.78 1.87 0.00 3.37 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.16 0.00 141 K 8.15 4.47 0.00 1.66 1.65 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.37 7.81 *142 Y 8.13 4.07 0.00 2.29 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.