NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.5693 8.3149 120.0855 56.4006 33.4963 174.6937 6 I 4.4622 8.9797 126.0243 58.5461 41.1418 169.1596 7 V 4.8358 9.0813 125.6772 61.3553 34.3318 173.8513 8 L 4.9198 8.7263 127.9089 53.0251 44.2380 175.7009 9 K 4.5641 8.7805 124.7186 54.7342 32.8728 176.4160 10 S 4.4882 8.6893 120.9808 57.5512 64.2392 173.7284 11 S 4.4974 8.6157 114.5708 58.2375 63.0052 175.2892 12 D 4.3040 8.4377 117.8731 53.6129 39.6121 175.5581 13 G 3.9232 8.4584 107.6232 47.2701 0.0000 172.2161 14 E 4.5437 7.7349 119.9814 55.2721 32.8366 174.3539 15 S 4.6818 8.6054 120.5748 58.5453 64.2160 173.9905 16 F 4.6039 8.8515 121.0811 55.5506 42.2643 173.8361 17 E 4.4426 8.9368 125.9802 55.9320 30.0444 176.0715 18 V 4.6816 8.6272 119.7924 59.3821 36.4940 175.5392 19 E 4.3296 8.7172 122.4729 55.8197 29.2898 176.3709 20 E 3.8389 8.2644 118.6476 60.4291 29.1168 178.2271 21 A 4.1269 7.6962 123.2405 53.9066 19.0186 179.2812 22 V 3.6856 7.6154 116.8614 65.7923 31.8258 177.6557 23 A 4.1557 7.8000 119.4000 54.1125 18.0051 178.6568 24 L 4.1069 7.3660 115.4068 55.8626 42.0148 177.8225 25 E 3.9342 7.7916 118.5599 58.9526 29.7340 177.5458 26 S 4.3888 7.6435 113.4900 57.3035 62.7830 174.5796 27 Q 4.0624 8.6064 129.4221 58.5387 28.2755 178.6647 28 T 4.0093 7.7004 116.2976 66.3027 68.9883 176.2878 29 I 3.9311 7.6481 121.0240 63.3868 37.1856 178.3356 30 A 4.0913 8.0824 122.2964 55.3446 18.1301 178.8804 31 H 4.4088 7.9618 110.3369 56.9695 28.4418 175.5695 32 M 4.8198 7.5977 118.8782 55.3441 32.4147 176.6868 33 V 4.4127 7.6307 107.9981 60.8827 31.9990 176.8253 34 E 4.1777 7.4972 120.3468 58.8771 29.9080 177.3760 35 D 4.5463 8.3601 118.7668 56.5985 39.5506 178.1608 36 D 4.5116 6.8210 118.8920 57.4514 37.0976 175.3552 37 C 4.3561 8.3260 122.1447 60.6898 28.8646 175.8685 38 V 3.6828 7.8031 120.3327 65.3740 31.2865 177.1756 39 D 4.3957 8.2613 118.5676 57.2870 40.6312 177.2106 40 N 4.8367 8.1610 113.2973 52.4343 39.0938 173.5682 41 G 4.0945 8.1997 108.8677 45.0062 0.0000 174.5227 42 V 3.7885 8.3442 115.4880 60.5356 32.5129 174.1041 43 P 4.8732 0.0000 0.0000 62.1788 31.0869 175.6560 44 L 4.8668 8.8002 127.6019 52.0522 41.1180 174.3634 45 P 5.3856 0.0000 0.0000 63.5836 31.7570 176.9193 46 N 4.6619 8.3373 114.3134 53.3829 40.1553 174.3548 47 V 4.2713 7.3402 119.5199 60.8433 33.0032 175.0289 48 T 4.2616 8.3678 122.5245 61.8530 69.1408 174.4598 49 S 4.2303 8.7289 120.9625 60.7028 62.0728 176.3292 50 K 4.0221 8.1197 122.0828 59.4662 31.8513 178.7745 51 I 3.7654 7.6282 119.5122 64.3042 37.3093 177.6555 52 L 3.8022 8.0662 121.1617 58.1185 41.7162 178.6287 53 A 4.0124 7.8624 120.4320 55.5174 18.3852 179.8183 54 K 4.1646 7.7646 115.8643 59.5752 32.1074 179.8103 55 V 3.7484 8.2571 118.9529 66.2131 31.4836 178.2330 56 I 3.7705 7.9591 119.5868 64.1577 36.9951 177.8793 57 E 3.9581 8.4569 120.3168 59.4994 29.5751 178.2843 58 Y 3.9511 7.9801 119.2347 60.9705 38.8989 177.9311 59 C 4.0474 8.3525 117.5715 62.4993 28.0116 175.5747 60 K 3.6993 8.2729 120.4912 59.9599 31.6929 178.2697 61 R 3.6130 7.5021 117.9104 59.5254 29.6134 178.1775 62 H 4.0328 7.5247 114.7912 58.4178 29.0284 177.5538 63 V 3.7161 7.7208 120.1865 65.5544 31.0894 176.7596 64 E 4.1016 7.5346 115.9646 56.8419 29.0471 176.7190 65 A 4.5978 7.5278 119.0248 52.1224 19.0877 179.6347 66 A 3.8868 7.7650 121.9368 56.3157 18.7601 178.7535 67 A 3.9626 7.7134 121.8904 52.4061 18.4295 177.5749 68 S 4.3954 8.2768 118.7392 59.0714 64.0796 174.3784 *80 D 4.6773 8.5504 122.5289 54.5423 41.5794 177.5218 81 D 4.3391 8.1072 117.9190 57.4787 41.5212 177.5288 82 D 4.3740 8.0064 116.9531 55.9689 41.6532 178.4490 83 L 4.0277 8.0335 120.4126 57.8242 41.8040 179.3087 84 K 4.1761 8.2024 117.3191 58.9443 31.8966 179.1820 85 A 3.9819 7.5739 121.6020 54.9425 18.4203 179.3616 86 W 4.1773 8.2145 126.6705 60.7171 30.7980 177.5738 87 D 4.5213 9.1196 118.9164 57.6328 40.1565 178.4694 88 A 4.0019 7.8193 119.9844 55.6641 18.2523 178.9489 89 D 4.3304 8.2234 116.0054 57.0234 41.0328 178.2077 90 F 4.0202 7.8829 121.0310 60.8678 39.4009 176.2376 91 M 4.0235 7.5126 115.8436 55.3358 33.3568 177.2338 92 K 4.2578 7.2097 120.0499 56.4252 30.0087 174.4720 93 I 4.4904 6.8248 112.3798 58.3062 41.2889 175.6504 94 D 4.5975 7.9753 119.8463 52.3949 41.8247 176.8017 95 Q 3.3480 8.2881 118.3042 59.1483 28.5362 179.0088 96 A 3.8503 7.7400 120.8482 55.6510 18.2916 179.4684 97 T 3.9287 7.3664 113.1665 65.8481 68.9550 176.6054 98 L 3.8025 7.7791 122.6469 58.4387 42.0381 179.2290 99 F 4.5566 8.0131 117.7291 60.8237 38.9459 177.6096 100 E 4.1041 8.1576 117.9717 59.1280 29.1664 179.4752 101 L 4.0354 7.7961 119.2303 57.5753 41.6250 179.2367 102 I 3.6526 7.7671 119.7541 64.6121 37.1665 178.1941 103 L 3.9391 8.0333 119.3473 58.0996 41.4182 179.7341 104 A 4.1660 8.0042 120.0351 55.0472 18.4650 179.5603 105 A 3.9634 8.5675 119.7631 55.2017 18.1683 179.4465 106 N 4.3114 8.2570 115.1859 56.7402 38.8386 176.2951 107 Y 4.4652 8.1429 120.9536 62.2945 39.2259 175.6725 108 L 4.5870 8.0601 124.9624 54.6535 42.0829 178.5134 109 N 4.9708 8.3238 114.6259 53.7367 39.3764 176.5981 110 I 4.2635 7.7697 121.3754 59.5512 37.4481 176.9743 111 K 3.9451 8.5246 127.1997 59.4302 31.6580 177.8267 112 N 4.3904 8.2309 116.2602 56.4676 38.5630 176.9275 113 L 3.4043 7.9033 120.9090 57.4310 42.2165 178.4583 114 L 4.0965 7.6773 121.7155 57.3038 41.4539 178.2744 115 D 4.4937 8.1221 117.7027 56.1021 40.6385 177.6870 116 L 4.5610 7.2344 120.7690 56.8566 42.9768 178.3833 117 T 3.8428 7.8051 109.7471 65.0144 68.8238 176.4429 118 C 4.2098 8.1289 120.0255 62.5320 28.1039 175.9639 119 Q 3.9775 7.6269 121.3988 59.5008 28.3490 178.4822 120 T 3.8776 7.6523 116.1801 66.5691 68.8690 176.5368 121 V 3.9308 8.1140 120.0664 65.8832 31.5838 178.0250 122 A 4.1061 8.3045 120.8602 55.1677 17.9807 179.3283 123 D 4.4329 8.3168 116.8849 57.5156 40.8678 178.5230 124 M 4.2432 7.7257 118.4924 58.1820 32.2008 178.4257 125 I 4.1099 7.7174 119.6675 62.8905 37.4591 176.6100 126 K 4.1143 7.4557 119.2456 58.0910 32.2061 176.6092 127 G 4.1069 9.0195 112.4529 45.4207 0.0000 173.9775 128 K 4.3824 7.5445 118.1918 56.1804 32.8027 177.3831 129 T 4.3781 8.1317 112.5865 60.4371 71.3578 174.1468 130 P 4.2520 0.0000 0.0000 65.6109 31.1255 178.7096 131 E 3.9058 8.0871 117.6061 59.4989 29.7909 178.2611 132 E 3.9428 8.0108 118.1189 59.6415 29.2566 179.6554 133 I 3.8400 7.9117 119.2735 64.5052 37.5949 178.4283 134 R 4.2708 7.9714 115.6338 58.8806 29.4817 178.3752 135 T 3.9393 8.2343 117.9121 66.8005 68.1893 176.0983 136 T 4.1011 7.8990 109.8026 61.8215 69.6166 175.4461 137 F 4.7827 8.1772 116.0273 57.6716 44.1167 173.7825 138 N 4.1792 8.1188 118.1608 54.4651 36.4637 172.4946 139 I 4.4716 8.3611 118.9988 58.7627 40.1487 176.0050 140 K 4.0382 8.5839 125.1810 55.9095 32.7851 175.7501 141 N 4.2462 8.7892 123.5539 54.2707 37.8305 172.9248 142 D 4.7875 8.0497 124.1248 52.8680 39.9869 176.6390 143 F 4.7540 8.3357 119.4241 57.6307 39.7679 176.5309 144 T 4.1318 8.7955 116.2659 61.2588 70.6795 173.9547 145 P 4.2972 0.0000 0.0000 65.6771 31.2798 178.9858 146 E 3.9528 8.1041 117.2704 59.2654 29.4527 178.9674 147 E 3.8814 7.9321 118.7545 59.4691 29.6332 178.9700 148 E 3.2041 8.0229 119.2325 58.9101 29.5473 178.6050 149 E 3.7216 7.8422 119.1822 58.9848 29.7136 178.1395 150 E 3.7410 8.1082 119.4960 59.4450 29.6453 178.9497 151 V 3.5055 7.6064 118.0450 65.9713 31.5093 177.9644 152 R 3.7029 7.7934 118.3662 59.3035 29.8450 178.7303 153 R 2.9226 8.0010 118.2463 58.8357 29.8584 178.8791 154 E 3.7067 8.2862 118.6964 59.5536 29.2943 179.2133 155 N 4.3409 8.0817 115.1121 55.7145 38.6221 176.4935 156 Q 4.4935 7.5094 116.6988 55.9148 30.3109 176.9643 157 W 4.8594 8.1511 118.2184 56.8796 30.2932 175.5926 158 A 4.3250 7.8075 117.4024 52.6804 20.5248 175.5181 159 F 4.9751 8.0175 114.3145 57.3325 40.5019 175.9583 160 E 4.3020 9.1588 125.5756 56.3429 29.9633 174.4009 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 K 8.31 4.57 0.00 1.66 1.98 0.00 1.66 0.00 0.00 1.91 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 8.98 4.46 1.88 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 1.12 0.81 0.92 0.00 0.00 7 V 9.08 4.84 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 1.13 0.00 0.00 0.95 0.00 0.00 8 L 8.73 4.92 0.00 1.69 1.55 0.89 0.55 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 9 K 8.78 4.56 0.00 1.78 1.83 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.42 7.81 10 S 8.69 4.49 0.00 3.94 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 11 S 8.62 4.50 0.00 4.19 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 12 D 8.44 4.30 0.00 2.82 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 13 G 8.46 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 0.00 0.00 0.00 14 E 7.73 4.54 0.00 2.13 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 2.33 2.50 0.00 15 S 8.61 4.68 0.00 3.73 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 16 F 8.85 4.60 0.00 3.16 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 17 E 8.94 4.44 0.00 1.97 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 2.29 2.42 0.00 18 V 8.63 4.68 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 0.75 0.00 0.00 1.00 0.00 0.00 19 E 8.72 4.33 0.00 2.06 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 2.39 2.35 0.00 20 E 8.26 3.84 0.00 2.06 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 0.00 2.37 2.45 0.00 21 A 7.70 4.13 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 22 V 7.62 3.69 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 1.05 0.00 0.00 0.90 0.00 0.00 23 A 7.80 4.16 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 24 L 7.37 4.11 0.00 1.63 1.71 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.79 3.93 0.00 2.03 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 2.34 2.40 0.00 26 S 7.64 4.39 0.00 3.98 3.88 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 0.00 0.00 0.00 27 Q 8.61 4.06 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 28 T 7.70 4.01 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 1.09 0.00 0.00 29 I 7.65 3.93 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.07 0.89 0.00 0.00 30 A 8.08 4.09 1.29 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 0.00 0.00 31 H 7.96 4.41 0.00 3.23 3.33 0.00 5.60 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 32 M 7.60 4.82 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 33 V 7.63 4.41 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 0.79 0.00 0.00 1.03 0.00 0.00 34 E 7.50 4.18 0.00 1.97 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 0.00 2.33 2.27 0.00 35 D 8.36 4.55 0.00 2.77 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 36 D 6.82 4.51 0.00 2.85 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 37 C 8.33 4.36 0.00 3.02 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.80 3.68 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 1.09 0.00 0.00 0.93 0.00 0.00 39 D 8.26 4.40 0.00 2.69 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 40 N 8.16 4.84 0.00 2.71 2.80 0.00 0.00 7.09 6.98 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 41 G 8.20 4.09 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 0.00 0.00 0.00 42 V 8.34 3.79 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 0.87 0.00 0.00 0.91 0.00 0.00 43 P 0.00 4.87 0.00 2.11 2.14 0.00 3.71 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 2.00 1.98 0.00 44 L 8.80 4.87 0.00 1.84 1.78 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 5.39 0.00 2.20 2.21 0.00 3.62 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 2.00 2.15 0.00 46 N 8.34 4.66 0.00 1.51 1.94 0.00 0.00 6.91 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 47 V 7.34 4.27 2.13 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 1.01 0.00 0.00 1.22 0.00 0.00 48 T 8.37 4.26 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 49 S 8.73 4.23 0.00 4.44 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 50 K 8.12 4.02 0.00 1.91 1.83 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.57 7.81 51 I 7.63 3.77 2.01 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 1.53 0.84 0.93 0.00 0.00 52 L 8.07 3.80 0.00 1.65 1.54 0.75 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.86 4.01 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 54 K 7.76 4.16 0.00 2.07 2.09 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.69 1.56 7.81 55 V 8.26 3.75 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.02 0.00 0.00 56 I 7.96 3.77 2.03 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.68 0.96 0.00 0.00 57 E 8.46 3.96 0.00 2.20 2.33 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 2.69 2.55 0.00 58 Y 7.98 3.95 0.00 2.91 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 59 C 8.35 4.05 0.00 3.17 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 60 K 8.27 3.70 0.00 1.80 1.94 0.00 1.76 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.42 7.81 61 R 7.50 3.61 0.00 1.06 1.42 0.00 2.42 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 62 H 7.52 4.03 0.00 2.78 3.18 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.72 3.72 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 0.98 0.00 0.00 0.98 0.00 0.00 64 E 7.53 4.10 0.00 2.02 1.82 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 2.24 2.25 0.00 65 A 7.53 4.60 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 66 A 7.77 3.89 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 67 A 7.71 3.96 1.22 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 0.00 0.00 68 S 8.28 4.40 0.00 3.86 3.78 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 *80 D 8.55 4.68 0.00 2.74 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 81 D 8.11 4.34 0.00 2.76 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 82 D 8.01 4.37 0.00 2.75 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 83 L 8.03 4.03 0.00 1.93 1.74 0.79 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.20 4.18 0.00 1.85 1.93 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.57 7.81 85 A 7.57 3.98 1.47 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 86 W 8.21 4.18 0.00 3.51 3.06 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 87 D 9.12 4.52 0.00 2.99 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 88 A 7.82 4.00 1.41 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 89 D 8.22 4.33 0.00 2.93 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 90 F 7.88 4.02 0.00 2.11 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 91 M 7.51 4.02 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.78 0.00 92 K 7.21 4.26 0.00 1.82 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.47 7.81 93 I 6.82 4.49 1.70 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.47 0.66 0.00 0.00 94 D 7.98 4.60 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.29 3.35 0.00 1.86 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 96 A 7.74 3.85 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 7.37 3.93 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 98 L 7.78 3.80 0.00 1.62 1.46 0.84 1.15 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 99 F 8.01 4.56 0.00 3.07 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 0.00 100 E 8.16 4.10 0.00 2.08 2.01 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 2.55 2.51 0.00 101 L 7.80 4.04 0.00 1.90 1.66 0.66 0.80 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 0.00 102 I 7.77 3.65 2.08 0.00 0.00 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 1.55 0.86 0.91 0.00 0.00 103 L 8.03 3.94 0.00 1.87 1.74 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.00 4.17 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.57 3.96 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 0.00 106 N 8.26 4.31 0.00 2.88 2.90 0.00 0.00 7.17 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 0.00 107 Y 8.14 4.47 0.00 3.11 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 0.00 108 L 8.06 4.59 0.00 1.64 1.40 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.32 4.97 0.00 2.62 2.76 0.00 0.00 6.74 7.94 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 0.00 110 I 7.77 4.26 1.91 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 1.22 1.28 1.04 0.00 0.00 111 K 8.52 3.95 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.56 7.81 112 N 8.23 4.39 0.00 3.02 2.95 0.00 0.00 6.78 6.74 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 0.00 113 L 7.90 3.40 0.00 1.51 1.72 0.17 0.49 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 0.00 114 L 7.68 4.10 0.00 1.77 1.64 0.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.12 4.49 0.00 3.01 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.23 4.56 0.00 1.64 1.71 1.00 0.82 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 0.00 117 T 7.81 3.84 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 1.17 0.00 0.00 118 C 8.13 4.21 0.00 3.21 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 0.00 119 Q 7.63 3.98 0.00 2.51 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 120 T 7.65 3.88 4.45 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 1.19 0.00 0.00 121 V 8.11 3.93 2.30 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 1.25 0.00 0.00 1.28 0.00 0.00 122 A 8.30 4.11 1.42 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 0.00 0.00 123 D 8.32 4.43 0.00 2.84 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 0.00 124 M 7.73 4.24 0.00 1.99 2.48 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.53 0.00 125 I 7.72 4.11 2.03 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 1.96 0.88 0.97 0.00 0.00 126 K 7.46 4.11 0.00 1.79 1.80 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.58 7.81 127 G 9.02 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 0.00 128 K 7.54 4.38 0.00 1.91 1.78 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.53 7.81 129 T 8.13 4.38 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 1.22 0.00 0.00 130 P 0.00 4.25 0.00 2.21 2.20 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 131 E 8.09 3.91 0.00 2.09 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 2.39 2.47 0.00 132 E 8.01 3.94 0.00 2.22 2.01 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 2.34 2.39 0.00 133 I 7.91 3.84 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.77 1.09 0.00 0.00 134 R 7.97 4.27 0.00 2.24 2.23 0.00 2.94 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.78 0.00 135 T 8.23 3.94 4.50 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 1.20 0.00 0.00 136 T 7.90 4.10 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 137 F 8.18 4.78 0.00 3.25 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 0.00 138 N 8.12 4.18 0.00 2.83 2.86 0.00 0.00 6.84 7.94 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 0.00 139 I 8.36 4.47 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.91 0.86 0.00 0.00 140 K 8.58 4.04 0.00 1.84 1.83 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.38 7.81 141 N 8.79 4.25 0.00 2.74 2.87 0.00 0.00 7.19 8.47 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 0.00 142 D 8.05 4.79 0.00 2.73 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 0.00 143 F 8.34 4.75 0.00 3.22 2.88 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 0.00 0.00 0.00 144 T 8.80 4.13 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 1.25 0.00 0.00 145 P 0.00 4.30 0.00 2.17 2.14 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 146 E 8.10 3.95 0.00 2.05 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 2.40 2.45 0.00 147 E 7.93 3.88 0.00 2.22 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 2.39 2.37 0.00 148 E 8.02 3.20 0.00 1.86 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 2.14 2.01 0.00 149 E 7.84 3.72 0.00 2.13 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 2.14 2.17 0.00 150 E 8.11 3.74 0.00 2.15 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 151 V 7.61 3.51 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 0.90 0.00 0.00 0.82 0.00 0.00 152 R 7.79 3.70 0.00 1.87 1.83 0.00 3.01 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 153 R 8.00 2.92 0.00 1.70 1.44 0.00 3.03 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.64 0.00 154 E 8.29 3.71 0.00 2.17 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 0.00 2.31 2.40 0.00 155 N 8.08 4.34 0.00 2.81 2.86 0.00 0.00 6.99 7.30 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 0.00 156 Q 7.51 4.49 0.00 1.91 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 157 W 8.15 4.86 0.00 3.34 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 0.00 158 A 7.81 4.32 0.33 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 0.00 159 F 8.02 4.98 0.00 3.08 2.90 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 0.00 160 E 9.16 4.30 0.00 2.05 2.34 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 2.17 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.