NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.5697 8.4201 119.2039 53.5993 40.9860 174.7746 0 A 4.5784 7.4851 118.5599 52.5341 20.1613 173.9657 2 I 4.2749 7.7389 110.4643 60.8603 43.0385 171.8123 3 L 4.7766 8.6747 130.1300 53.6444 44.1213 175.3030 4 V 4.8124 8.6925 126.6181 60.1515 33.2958 172.0360 5 P 5.0581 0.0000 0.0000 62.5168 31.9955 175.7905 6 I 4.6513 9.4080 124.2136 59.5197 40.6575 174.1670 7 D 4.8824 8.7359 126.6410 53.0014 41.1960 176.5541 8 I 3.9567 8.2924 119.8628 62.1757 38.2872 177.4514 9 S 4.2955 8.2669 117.9295 61.3318 62.8849 174.0446 10 D 4.6803 7.4365 119.6247 53.4872 45.0197 176.0102 *15 E 4.3285 8.6265 116.7107 55.9256 32.0557 178.9922 16 R 4.0399 8.0386 116.8069 59.3897 30.3306 178.0219 17 I 4.0266 7.7487 111.8229 62.8792 37.7705 178.0343 18 I 3.2883 7.5481 122.5675 64.5596 36.8827 178.3056 19 S 4.1084 7.9614 115.3618 61.8621 62.6200 176.4280 20 H 4.1350 8.1444 118.3944 58.7532 28.4965 177.7982 21 V 3.6488 8.1849 120.1908 66.1661 31.5672 177.8064 22 E 4.0603 8.4869 118.3023 59.6655 28.7902 179.7206 23 S 4.1454 8.2821 115.0486 61.6573 62.7235 176.5636 24 E 3.9988 8.4009 120.2527 59.4166 29.4873 179.0036 25 A 4.1175 8.3771 121.0741 55.2168 18.0223 179.9370 26 R 3.9478 7.9332 116.2458 59.0843 29.8297 178.9093 27 I 3.6203 7.1485 118.3042 63.9848 37.2857 176.3292 28 D 4.6807 7.4472 113.6122 52.6130 43.2105 174.3847 29 D 4.3258 7.7324 116.9641 55.0099 39.6367 173.4024 30 A 4.3468 7.7755 120.2227 51.9914 19.9196 178.8907 31 E 4.1960 9.0645 120.4752 56.3643 30.9372 176.3058 32 V 4.0733 8.8958 124.7875 61.4987 33.4570 174.7276 33 H 4.6865 8.9976 127.1418 54.3476 30.1391 174.3217 34 F 4.9835 8.7723 124.0343 56.5004 40.5073 174.9326 35 L 5.3733 9.0139 124.9519 53.5140 45.2881 174.8760 36 T 5.1564 8.8966 119.8150 59.2404 70.7843 172.3990 37 V 4.8779 8.4337 127.4121 61.0385 33.8589 174.4418 38 I 4.3218 8.9309 122.6050 59.1914 38.9447 173.9632 39 P 5.5929 0.0000 0.0000 61.7251 32.1965 176.5540 40 S 4.5048 8.6371 119.8378 58.8687 65.2478 177.1732 41 L 4.3304 8.4126 130.0747 55.1998 38.9963 177.9200 *56 P 4.6147 0.0000 0.0000 62.9588 33.8596 179.4324 57 G 4.2488 7.7111 106.8954 44.8458 0.0000 174.3690 *59 D 4.5271 8.8088 117.8704 54.4376 43.0095 177.4653 60 E 3.9714 8.0348 118.6907 59.0564 29.5200 178.6225 61 L 3.9835 8.0401 119.1483 57.7425 41.6553 179.5211 62 R 3.9263 7.9640 117.4216 59.4667 30.1012 178.8373 63 E 4.0382 8.3362 118.2709 59.3629 29.5136 179.5897 64 G 3.6676 8.4860 106.1845 48.0122 0.0000 175.9180 65 S 4.1469 8.4156 117.7796 61.3055 62.7824 176.3789 66 E 3.9098 8.4044 122.1723 59.3994 29.3391 179.0185 67 T 3.7232 7.9621 115.7759 66.8205 68.6559 176.6806 68 Q 3.9686 7.9486 119.7992 58.6766 28.6714 178.5764 69 L 3.9333 8.1055 121.5707 58.2489 41.9401 179.2976 70 K 3.4448 7.7191 117.1549 59.1761 31.9675 178.9125 71 E 4.0574 8.0422 118.9784 59.3723 29.3152 179.4177 72 I 3.7466 7.6967 119.4511 64.3705 37.2336 178.3747 73 A 3.7091 7.9389 121.2806 54.5986 17.8571 179.4828 74 K 4.1484 7.5184 116.1354 58.6966 32.1503 178.6769 75 K 4.2072 8.1913 117.6827 56.5059 32.4585 176.4987 76 F 4.8340 7.9631 118.8593 55.8490 40.4310 176.4688 77 S 4.6027 10.0026 122.4354 56.9601 60.7214 172.5083 78 I 4.7828 7.6509 123.8583 58.1210 41.3830 173.7589 79 P 4.4842 0.0000 0.0000 62.3303 32.0396 177.2626 80 E 3.9912 9.0106 121.9304 59.8773 29.4056 178.2941 81 D 4.5904 8.1068 113.4124 54.1685 40.0238 176.5758 82 R 4.6548 7.8199 118.7345 55.6317 30.2657 174.6553 *84 H 4.6704 7.5499 115.1273 55.6012 31.1264 174.1926 85 F 5.3244 8.5941 118.6902 56.1342 42.3209 174.3037 86 H 5.0563 9.4456 118.8995 54.0959 33.2166 172.4959 87 V 5.0280 8.6114 121.0614 61.1605 34.0867 174.2511 88 A 4.9537 9.1524 128.6379 50.1017 23.0274 174.2556 89 E 4.8944 9.6933 117.9453 54.0398 31.9698 175.5737 90 G 3.7725 8.5187 114.4497 44.9838 0.0000 172.4510 91 S 4.4136 8.4739 118.3257 57.6191 63.6154 173.3697 92 P 4.2439 0.0000 0.0000 65.5339 31.2639 178.8561 93 K 3.9980 8.0255 117.1692 60.1111 32.4876 178.6441 94 D 4.3297 8.0438 119.6861 57.1147 40.8060 178.8694 95 K 4.0035 8.0704 118.8325 59.1253 32.0358 179.4042 96 I 3.6867 8.1522 120.6248 64.5594 37.0847 178.4515 97 L 3.9512 8.0903 119.3954 57.6233 41.4238 179.3831 98 A 3.9521 8.1737 120.8895 55.1957 18.2488 179.5230 99 L 3.9293 8.3265 119.9119 57.5751 42.1762 178.8772 100 A 3.9052 8.1628 120.9442 54.9731 18.0140 179.6159 101 K 3.8818 7.8483 117.6399 59.5621 32.3070 178.8539 102 S 4.3334 8.0036 114.1867 60.4603 63.0324 176.1232 103 L 3.8772 7.8331 122.8362 56.2841 41.8706 175.9417 104 P 4.5762 0.0000 0.0000 61.6604 32.5099 175.6125 105 A 4.1556 8.5462 124.2965 52.3417 19.2170 177.6284 106 D 4.6077 8.5064 120.3696 55.6443 42.0305 176.1776 107 L 4.9715 7.4420 119.9453 53.6084 45.9205 174.1540 108 V 4.8277 8.5561 125.4582 61.1769 34.0997 174.1441 109 I 5.0257 8.4329 128.2825 59.5548 39.3628 174.9549 110 I 4.7424 8.6584 126.3494 58.9475 41.6264 174.2138 111 A 4.5932 8.7344 130.6074 51.9191 18.6769 177.6078 112 S 4.3740 8.8553 116.0048 61.7438 64.1153 173.8214 113 H 4.7705 7.7975 115.1129 54.6581 31.0650 173.7335 114 R 4.0854 8.5420 118.0681 55.7699 29.5468 174.1078 115 P 4.3522 0.0000 0.0000 64.9813 31.1770 176.7899 116 D 4.6808 8.0402 115.1435 52.9865 39.8664 175.6685 117 I 4.4809 7.7152 121.3053 60.1252 38.3673 175.3013 118 T 4.3258 8.2733 114.9538 62.0047 70.0338 176.7315 119 T 3.7115 7.7346 111.7823 63.4939 69.2981 173.5065 120 Y 4.6564 7.0245 117.2842 55.7795 38.8606 176.3438 121 L 4.1402 8.6613 126.0234 56.8773 41.9855 177.5821 122 L 4.7328 7.6269 118.5834 52.8918 44.5279 176.0598 123 G 3.9325 9.3528 116.3686 45.2837 0.0000 174.0687 124 S 4.1698 8.4045 113.9228 61.0657 63.1706 176.3542 125 N 4.2710 8.0717 119.4193 55.9985 38.3425 176.8461 126 A 3.9873 8.0520 121.4284 55.2938 18.2691 179.3331 127 A 3.9132 8.0937 118.8990 55.3237 18.3457 179.7804 128 A 4.0130 8.0710 119.3384 55.0386 18.4487 180.1281 129 V 3.5305 7.9333 117.0671 66.2103 31.4963 178.7407 130 V 3.6262 7.8077 117.5402 64.4270 31.1006 177.6508 131 R 4.1181 7.5337 118.1601 58.5315 30.3962 177.2180 132 H 4.5828 8.2760 113.4456 55.3598 29.7277 175.6540 133 A 4.1644 7.4690 124.0409 52.2573 18.6588 177.4145 134 E 4.2365 8.6647 119.6573 57.1621 30.1254 175.6026 135 C 4.9156 7.4496 113.0732 55.7854 32.9460 173.6057 136 S 4.3615 8.4927 114.0280 58.9382 63.6739 173.9386 137 V 4.7902 8.1360 121.6152 61.1166 34.5562 174.1406 138 L 4.5188 9.1137 130.5345 53.6129 43.6090 175.0013 139 V 4.6530 8.3454 127.1026 61.6674 32.8015 174.8744 140 V 4.1787 8.6762 128.8424 61.3492 33.3625 176.1589 141 R 4.1958 8.3552 125.3944 56.4128 30.6739 175.3209 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 -1 N 8.42 4.57 0.00 2.67 2.90 0.00 0.00 6.97 7.08 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 A 7.49 4.58 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 2 I 7.74 4.27 1.75 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.20 0.82 0.00 0.00 3 L 8.67 4.78 0.00 1.64 1.46 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.69 4.81 1.66 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 1.03 0.00 0.00 0.58 0.00 0.00 5 P 0.00 5.06 0.00 2.15 2.06 0.00 4.02 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 6 I 9.41 4.65 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 1.00 0.00 0.00 7 D 8.74 4.88 0.00 2.71 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 8 I 8.29 3.96 1.88 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 1.44 0.73 0.94 0.00 0.00 9 S 8.27 4.30 0.00 3.94 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 10 D 7.44 4.68 0.00 2.47 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 *15 E 8.63 4.33 0.00 1.92 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 2.21 1.88 0.00 16 R 8.04 4.04 0.00 1.78 2.00 0.00 3.28 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 17 I 7.75 4.03 2.01 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.70 0.98 0.00 0.00 18 I 7.55 3.29 1.72 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.05 0.64 0.00 0.00 19 S 7.96 4.11 0.00 3.81 3.84 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 20 H 8.14 4.13 0.00 3.43 3.40 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.18 3.65 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 1.15 0.00 0.00 1.19 0.00 0.00 22 E 8.49 4.06 0.00 2.25 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 0.00 2.63 2.65 0.00 23 S 8.28 4.15 0.00 4.03 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 24 E 8.40 4.00 0.00 1.92 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 2.62 2.50 0.00 25 A 8.38 4.12 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.93 3.95 0.00 2.09 2.00 0.00 3.17 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 27 I 7.15 3.62 2.03 0.00 0.00 nan 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 0.67 0.91 0.00 0.00 28 D 7.45 4.68 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 29 D 7.73 4.33 0.00 2.78 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 30 A 7.78 4.35 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 31 E 9.06 4.20 0.00 1.93 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 0.00 2.44 2.41 0.00 32 V 8.90 4.07 1.72 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 -0.24 0.00 0.00 0.78 0.00 0.00 33 H 9.00 4.69 0.00 3.04 3.16 0.00 5.66 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.77 4.98 0.00 2.71 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 35 L 9.01 5.37 0.00 1.76 1.49 0.97 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.90 5.16 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 1.26 0.00 0.00 37 V 8.43 4.88 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 0.95 0.00 0.00 0.95 0.00 0.00 38 I 8.93 4.32 1.88 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 1.46 1.04 0.93 0.00 0.00 39 P 0.00 5.59 0.00 1.96 2.02 0.00 3.73 0.00 0.00 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 40 S 8.64 4.50 0.00 3.88 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 41 L 8.41 4.33 0.00 1.67 0.83 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *56 P 0.00 4.61 0.00 2.11 2.03 0.00 3.74 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 1.84 1.60 0.00 57 G 7.71 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 0.00 0.00 0.00 *59 D 8.81 4.53 0.00 2.75 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 60 E 8.03 3.97 0.00 2.03 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 2.37 2.39 0.00 61 L 8.04 3.98 0.00 1.75 1.70 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.96 3.93 0.00 2.01 1.99 0.00 3.31 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 1.84 1.74 0.00 63 E 8.34 4.04 0.00 2.01 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 2.46 0.00 64 G 8.49 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 65 S 8.42 4.15 0.00 4.00 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 66 E 8.40 3.91 0.00 2.15 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 2.20 2.38 0.00 67 T 7.96 3.72 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 1.15 0.00 0.00 68 Q 7.95 3.97 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 69 L 8.11 3.93 0.00 1.91 1.85 1.00 0.90 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 70 K 7.72 3.44 0.00 1.55 1.42 0.00 1.41 0.00 0.00 1.25 0.00 0.00 2.41 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 0.74 7.81 71 E 8.04 4.06 0.00 2.07 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 2.50 2.45 0.00 72 I 7.70 3.75 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.67 1.08 0.00 0.00 73 A 7.94 3.71 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 74 K 7.52 4.15 0.00 1.89 1.91 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.64 7.81 75 K 8.19 4.21 0.00 1.70 1.71 0.00 1.88 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.54 7.81 76 F 7.96 4.83 0.00 3.24 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 0.00 77 S 10.00 4.60 0.00 3.73 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 0.00 78 I 7.65 4.78 2.01 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 1.51 0.98 0.93 0.00 0.00 79 P 0.00 4.48 0.00 2.33 1.98 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 80 E 9.01 3.99 0.00 1.98 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 0.00 2.35 2.29 0.00 81 D 8.11 4.59 0.00 2.79 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 82 R 7.82 4.65 0.00 1.93 1.99 0.00 3.31 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.87 0.00 *84 H 7.55 4.67 0.00 2.78 3.14 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.59 5.32 0.00 2.94 2.98 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 86 H 9.45 5.06 0.00 3.08 3.17 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.61 5.03 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 0.88 0.00 0.00 0.98 0.00 0.00 88 A 9.15 4.95 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 89 E 9.69 4.89 0.00 1.80 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 2.20 2.34 0.00 90 G 8.52 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 0.00 0.00 0.00 91 S 8.47 4.41 0.00 3.89 3.84 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 92 P 0.00 4.24 0.00 2.38 2.09 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 93 K 8.03 4.00 0.00 1.97 2.24 0.00 1.49 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.51 7.81 94 D 8.04 4.33 0.00 2.83 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 95 K 8.07 4.00 0.00 1.79 1.85 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.62 7.81 96 I 8.15 3.69 1.87 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 1.53 0.72 0.90 0.00 0.00 97 L 8.09 3.95 0.00 1.68 1.71 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.17 3.95 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 99 L 8.33 3.93 0.00 1.81 1.61 0.79 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.16 3.91 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 0.00 101 K 7.85 3.88 0.00 1.91 1.96 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.42 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.61 7.81 102 S 8.00 4.33 0.00 4.08 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 0.00 103 L 7.83 3.88 0.00 1.59 1.64 0.68 0.94 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 0.00 104 P 0.00 4.58 0.00 2.14 2.13 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 105 A 8.55 4.16 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 0.00 106 D 8.51 4.61 0.00 2.69 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 0.00 107 L 7.44 4.97 0.00 1.70 1.40 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.56 4.83 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 0.84 0.00 0.00 0.90 0.00 0.00 109 I 8.43 5.03 1.87 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 1.11 0.77 0.95 0.00 0.00 110 I 8.66 4.74 1.88 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 1.18 1.71 0.92 0.00 0.00 111 A 8.73 4.59 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 0.00 112 S 8.86 4.37 0.00 4.12 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 7.80 4.77 0.00 3.26 3.45 0.00 5.74 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 8.54 4.09 0.00 1.76 1.87 0.00 3.26 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.20 0.00 115 P 0.00 4.35 0.00 2.19 2.25 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 116 D 8.04 4.68 0.00 2.82 2.83 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 0.00 117 I 7.72 4.48 1.94 0.00 0.00 0.93 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 0.73 0.97 0.00 0.00 118 T 8.27 4.33 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 1.22 0.00 0.00 119 T 7.73 3.71 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 120 Y 7.02 4.66 0.00 2.96 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 0.00 121 L 8.66 4.14 0.00 1.68 1.79 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.63 4.73 0.00 1.63 1.54 0.95 1.06 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 0.00 123 G 9.35 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.40 4.17 0.00 3.98 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 0.00 125 N 8.07 4.27 0.00 2.76 2.91 0.00 0.00 7.03 7.23 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 0.00 126 A 8.05 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.09 3.91 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.07 4.01 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 V 7.93 3.53 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 1.04 0.00 0.00 0.97 0.00 0.00 130 V 7.81 3.63 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 0.86 0.00 0.00 0.93 0.00 0.00 131 R 7.53 4.12 0.00 1.77 2.01 0.00 3.19 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 1.24 1.53 0.00 132 H 8.28 4.58 0.00 3.31 3.32 0.00 5.71 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 7.47 4.16 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 0.00 134 E 8.66 4.24 0.00 1.96 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 2.28 2.29 0.00 135 C 7.45 4.92 0.00 3.06 2.97 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 0.00 136 S 8.49 4.36 0.00 3.79 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 0.00 137 V 8.14 4.79 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 0.77 0.00 0.00 0.97 0.00 0.00 138 L 9.11 4.52 0.00 1.75 1.52 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.35 4.65 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 0.81 0.00 0.00 0.93 0.00 0.00 140 V 8.68 4.18 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 0.83 0.00 0.00 0.82 0.00 0.00 141 R 8.36 4.20 0.00 1.78 1.75 0.00 3.30 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.