NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 N 4.7994 8.4093 118.1299 53.6892 40.0453 173.1530 15 S 4.5606 8.4482 110.6711 58.4914 63.2789 170.8527 16 E 4.6522 8.7456 117.3956 56.7559 32.0365 175.3103 17 L 4.6421 7.7423 116.4434 53.0945 43.3797 177.1043 18 L 4.2500 8.8376 122.7300 54.4672 43.5745 178.3662 19 E 4.0060 8.6763 121.0313 59.3810 29.5280 178.7227 20 E 4.0112 8.2018 117.3086 59.6766 29.5080 179.1359 21 Q 3.9950 8.0227 118.4777 58.4121 28.8709 178.3761 22 K 3.9821 7.9867 119.4200 59.8426 32.2334 179.0463 23 Q 4.1546 8.3322 119.5475 59.1772 28.9575 178.0167 24 E 4.0365 8.5768 120.7480 59.3612 29.5953 178.8952 25 I 3.9342 8.1425 120.0416 64.5622 37.2046 177.7632 26 Y 4.6440 8.3213 121.7502 60.3639 38.6815 178.0730 27 E 3.7993 8.5896 119.1995 59.2739 29.3946 178.9304 28 A 4.0649 7.8079 119.4024 55.3357 18.6427 179.1512 29 F 3.8509 8.1829 118.8931 61.6089 39.3756 177.4331 30 S 3.9835 7.9978 114.7099 61.5031 62.2775 176.4955 31 L 3.6817 7.5464 122.1602 56.8964 41.6306 177.5392 32 F 4.8349 7.2233 115.3068 56.9793 39.9661 174.4313 33 D 4.4926 7.3923 120.4450 53.1127 42.2719 176.9392 *35 N 4.6650 8.4080 120.0353 51.9325 40.4023 175.2175 36 N 4.3964 8.1014 113.1970 52.5788 36.8141 173.7619 37 D 4.5053 7.5167 118.9743 52.5428 39.9421 177.1708 38 G 3.2321 7.4777 106.7640 46.8488 0.0000 172.8927 39 F 5.2711 7.2483 112.9014 55.3334 41.2323 173.5860 40 L 4.8854 8.5582 120.4049 52.9123 44.3250 177.0760 41 D 4.8634 8.6383 122.0282 52.1910 43.0128 176.3103 42 Y 4.1098 8.5035 118.6436 61.7325 38.1408 178.3260 43 H 3.7789 7.9021 116.2364 58.7913 28.9298 177.5860 44 E 3.8256 8.2417 120.1094 58.9739 28.9954 179.1314 45 L 3.8791 7.7360 119.8624 57.8710 42.2509 178.3969 46 K 3.8389 7.3275 118.1861 59.9609 32.3538 178.8839 47 V 3.5727 7.0737 110.5578 63.5807 31.3457 178.4414 48 A 4.0333 7.3160 116.9721 53.3523 17.8664 178.6800 *50 K 4.4052 8.2459 122.0860 57.4999 33.9356 177.9488 51 A 4.1139 8.0176 120.7114 54.5736 18.3656 177.9185 52 L 4.2264 7.5711 112.3708 54.7147 41.9626 177.4489 53 G 3.6591 7.9594 107.2311 45.1227 0.0000 173.0770 54 F 5.0682 7.6227 118.1805 55.6334 40.6659 174.8069 55 E 4.8017 8.6123 124.1888 54.4548 30.3206 174.8564 56 L 4.5803 8.0442 122.5292 52.1991 43.7957 175.3086 57 P 4.4497 0.0000 0.0000 62.4626 32.2345 176.9728 58 K 3.9499 8.9836 120.9368 60.3504 31.8335 178.9052 59 R 3.9027 8.1138 117.3498 59.3254 29.8400 178.4831 60 E 3.9321 8.1355 118.4890 59.4660 29.7517 178.9418 61 I 3.7823 7.8164 119.2987 64.4898 37.3295 178.3379 62 L 4.1103 8.2448 119.8717 57.8783 41.5089 179.2613 63 D 4.4119 8.5314 119.3261 57.2969 40.5073 178.6295 64 L 4.1400 8.0294 120.3345 57.9977 42.3818 178.8473 65 I 3.9915 8.0340 119.9055 64.4967 36.3543 177.9628 66 D 4.4039 8.0651 119.4820 57.6711 40.4801 178.6955 67 E 4.1592 7.9930 117.3650 58.9080 29.5495 177.5801 68 Y 4.4684 7.4785 113.7893 57.9356 39.9172 176.0948 69 D 4.6646 7.9383 122.7673 53.1150 39.5499 176.4334 70 S 4.5007 7.9162 111.1707 58.3720 63.3821 175.2082 71 E 4.3160 8.3376 122.5840 55.9423 31.0840 177.0577 72 G 3.8669 8.1653 105.1994 45.2229 0.0000 173.9047 73 R 3.9983 7.9425 119.5777 56.5850 30.4794 176.7998 74 H 4.3953 8.9731 113.1585 56.9950 27.6218 175.2701 75 L 4.7215 6.7768 119.6239 54.7171 41.4550 177.7394 *77 K 4.5459 8.3375 126.1570 57.2103 33.7657 175.3504 78 Y 3.5268 8.2151 125.4375 60.8601 38.3114 178.1475 79 D 4.3575 8.3484 119.2901 57.9500 40.9641 178.9446 80 D 4.3489 8.0963 118.4027 57.0254 40.7209 178.2593 81 F 3.9991 8.1689 120.7134 61.4440 39.4335 176.1792 82 Y 3.9139 7.8718 118.0496 60.6849 38.9745 177.9494 83 I 3.9391 7.4249 120.3024 64.2103 37.2703 179.0231 84 V 3.9725 7.2660 118.1774 62.3265 31.3076 178.2698 *86 G 3.6078 8.0355 108.1611 46.3689 0.0000 175.6414 87 E 3.8815 7.8800 119.5854 58.6061 29.8465 179.5710 88 K 3.9163 7.6406 117.9175 59.3342 32.0105 179.4166 89 I 3.9519 7.6437 119.5316 64.6200 36.9282 178.4153 90 L 4.0930 7.8983 118.1479 57.0781 41.4831 178.7684 91 K 4.3162 7.5223 115.7492 55.4565 32.6923 177.2727 92 R 3.9437 7.3441 119.4418 56.5589 30.5832 176.3304 93 D 4.4976 8.7295 122.1188 53.2783 42.2829 175.1605 94 P 4.2400 0.0000 0.0000 65.9531 31.1829 178.2282 95 L 3.9786 7.8331 119.7128 58.0128 42.1296 178.3860 96 D 4.4049 8.0183 118.1932 57.2240 40.6530 178.5644 97 E 3.9590 7.9737 119.2298 59.5078 29.4364 179.2629 98 I 3.7679 7.6330 119.5155 64.5281 37.0839 178.6645 99 K 4.0923 8.2494 119.0138 59.6084 31.5931 179.5478 100 R 3.9901 8.6677 118.4539 59.4307 30.0010 179.0435 101 A 4.1913 8.4701 120.5972 54.9518 18.2971 179.3114 102 F 3.3382 8.6951 119.6575 61.5763 39.1956 177.4341 103 Q 3.9989 7.8882 116.1394 58.9341 28.5291 178.5358 104 L 4.1223 7.4370 119.0537 57.6474 41.7058 179.3146 105 F 3.9041 7.9960 116.9008 60.0331 40.2163 177.0307 106 D 4.6025 7.9545 118.5002 54.0682 37.5731 176.4276 107 D 4.2194 7.3270 123.3670 57.4386 41.8939 176.9723 108 D 4.4193 7.8751 114.2533 52.5918 40.3812 175.7007 109 H 4.2319 7.7019 116.6281 57.4970 26.1507 174.5055 110 T 4.3008 8.9299 106.8778 61.0997 70.1814 176.8909 111 G 4.1661 9.3987 111.1286 45.0965 0.0000 173.3908 112 K 4.9703 7.3598 117.3420 54.4667 36.0795 176.3531 113 I 4.1785 9.1124 125.9333 60.6599 37.9322 176.0344 114 S 4.7196 9.1818 123.0541 57.4914 64.4072 175.2895 115 I 3.7112 8.5288 120.3063 64.2218 37.5538 178.0372 116 K 4.0433 7.9836 119.2231 59.6476 32.5618 178.5986 117 N 4.1994 7.7962 117.9039 56.2927 38.6390 177.2045 118 L 4.1151 7.8446 119.8069 58.0238 41.8143 179.7292 119 R 3.9586 8.0516 118.4219 58.9760 29.9006 178.6296 120 R 3.7645 7.9366 118.8959 59.2767 30.1808 178.4209 121 V 3.2865 7.3641 117.3957 65.9178 31.2138 177.3844 122 A 3.9920 7.4643 118.6615 55.3942 18.4235 179.2290 123 K 3.9641 7.7525 116.0434 59.9701 31.9822 179.1803 124 E 3.9532 7.7841 116.9253 59.1954 29.6557 178.6665 125 L 4.3917 8.0597 116.5842 54.4490 41.7706 178.0533 126 G 4.0956 8.0283 108.9944 45.5771 0.0000 174.4666 127 E 4.0977 7.3654 117.6406 57.0105 30.0721 176.4022 128 T 4.6352 8.1880 114.3283 60.1501 70.3382 173.0459 129 L 4.8811 8.3849 128.1429 53.4318 43.1443 177.0801 130 T 4.2428 8.4480 113.4750 60.9178 71.1071 175.2058 131 D 4.3738 8.6212 121.4078 57.6021 40.7575 178.8403 132 E 3.9683 8.2404 117.3729 59.7994 29.1520 178.8981 133 E 3.9721 7.5829 117.1503 59.0889 29.6034 179.1219 134 L 4.2348 7.7060 118.1538 57.1961 41.8743 179.4437 135 R 4.1583 8.2895 116.3385 59.0063 29.3466 179.7941 136 A 4.1400 8.0701 121.1602 52.0898 18.6418 179.2851 *138 I 4.1939 7.7768 123.4830 63.0622 39.3616 177.8775 139 E 3.9025 9.0508 120.6514 59.2757 29.5626 177.6999 140 E 3.8875 7.7906 116.7276 58.2339 29.7406 177.2461 141 F 4.7287 7.9027 114.7100 57.7100 41.4266 174.9085 142 D 4.7169 8.4493 120.9866 54.2207 40.8093 175.5504 143 L 4.6323 8.8595 126.4231 55.0536 43.2892 177.8761 144 D 4.3755 8.4993 118.4967 56.9048 40.9126 177.5204 145 G 4.0777 8.2785 104.4915 45.2111 0.0000 173.7275 146 D 4.4327 7.9470 117.7280 53.5014 39.6903 177.0767 147 G 3.9162 8.4623 107.8546 46.1664 0.0000 172.7383 148 E 4.7601 8.4224 117.7800 54.2640 33.3573 175.0665 149 I 4.6856 8.1442 119.9884 59.6847 38.7309 176.1387 150 N 5.1507 8.9375 124.7233 51.6630 40.3140 175.3367 151 E 2.9797 8.2656 119.4162 59.2784 29.4052 178.4030 152 N 4.3054 8.0437 115.9593 56.3689 38.8503 177.0707 153 E 4.0739 8.6830 120.0478 59.3905 29.5238 179.2608 154 F 4.2148 8.6187 121.1748 61.1950 39.3787 177.3001 155 I 3.5125 7.9772 119.3142 64.3387 36.7120 178.1605 156 A 3.9810 7.7011 120.2168 55.1879 18.1957 179.5772 157 I 3.0296 6.9519 116.8783 64.5432 37.2564 178.1918 158 C 3.9949 7.4395 115.1221 60.7187 28.4200 174.0599 159 T 4.3790 7.2639 117.5990 61.9401 69.3627 174.3903 160 D 4.5652 8.4255 125.6137 54.3544 41.6338 176.6801 161 S 4.1880 8.3624 116.9969 58.6762 63.0549 173.7015 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 14 N 8.41 4.80 0.00 2.72 2.90 0.00 0.00 6.91 6.68 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 15 S 8.45 4.56 0.00 4.07 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 16 E 8.75 4.65 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 17 L 7.74 4.64 0.00 1.68 1.56 0.75 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.84 4.25 0.00 1.76 1.71 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.68 4.01 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 20 E 8.20 4.01 0.00 2.23 2.23 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 2.38 2.37 0.00 21 Q 8.02 4.00 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 22 K 7.99 3.98 0.00 2.11 2.07 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.63 1.78 7.81 23 Q 8.33 4.15 0.00 2.35 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.70 0.00 24 E 8.58 4.04 0.00 2.31 2.16 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 2.37 2.40 0.00 25 I 8.14 3.93 2.10 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.06 1.07 0.00 0.00 26 Y 8.32 4.64 0.00 3.33 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.59 3.80 0.00 2.21 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 2.40 2.63 0.00 28 A 7.81 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.18 3.85 0.00 3.08 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 30 S 8.00 3.98 0.00 3.75 3.63 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 31 L 7.55 3.68 0.00 1.55 0.55 0.49 0.27 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 32 F 7.22 4.83 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 33 D 7.39 4.49 0.00 2.54 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 *35 N 8.41 4.66 0.00 3.10 2.90 0.00 0.00 6.99 6.92 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 36 N 8.10 4.40 0.00 2.78 2.85 0.00 0.00 6.98 7.95 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 37 D 7.52 4.51 0.00 2.63 2.81 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 38 G 7.48 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 0.00 0.00 0.00 39 F 7.25 5.27 0.00 3.18 3.16 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 40 L 8.56 4.89 0.00 1.57 1.46 0.39 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.64 4.86 0.00 2.94 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 42 Y 8.50 4.11 0.00 3.04 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 43 H 7.90 3.78 0.00 3.17 3.23 0.00 5.67 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 44 E 8.24 3.83 0.00 1.95 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 2.38 2.32 0.00 45 L 7.74 3.88 0.00 1.85 1.72 1.03 1.15 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 46 K 7.33 3.84 0.00 1.22 1.62 0.00 1.71 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.39 7.81 47 V 7.07 3.57 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 0.00 0.00 0.44 0.00 0.00 -0.07 0.00 0.00 48 A 7.32 4.03 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 *50 K 8.25 4.41 0.00 1.94 1.91 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.46 7.81 51 A 8.02 4.11 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 52 L 7.57 4.23 0.00 1.64 1.53 1.13 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.96 3.66 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 0.00 0.00 0.00 54 F 7.62 5.07 0.00 3.11 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 55 E 8.61 4.80 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 56 L 8.04 4.58 0.00 1.65 1.63 0.94 1.10 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 57 P 0.00 4.45 0.00 2.24 2.21 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 58 K 8.98 3.95 0.00 1.90 1.88 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.60 7.81 59 R 8.11 3.90 0.00 1.90 1.99 0.00 3.18 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 60 E 8.14 3.93 0.00 2.20 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 2.32 2.42 0.00 61 I 7.82 3.78 2.26 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 1.71 0.96 1.07 0.00 0.00 62 L 8.24 4.11 0.00 1.82 1.69 0.67 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.53 4.41 0.00 2.96 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 64 L 8.03 4.14 0.00 1.92 1.90 0.90 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.03 3.99 2.12 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.03 1.01 0.00 0.00 66 D 8.07 4.40 0.00 3.00 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 67 E 7.99 4.16 0.00 2.24 1.73 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 2.31 2.59 0.00 68 Y 7.48 4.47 0.00 3.15 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.94 4.66 0.00 2.88 2.58 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 70 S 7.92 4.50 0.00 4.01 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 71 E 8.34 4.32 0.00 1.91 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 2.19 2.32 0.00 72 G 8.17 3.87 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 0.00 0.00 0.00 73 R 7.94 4.00 0.00 2.01 1.75 0.00 3.22 0.00 0.00 3.01 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 74 H 8.97 4.40 0.00 3.31 3.39 0.00 5.67 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 75 L 6.78 4.72 0.00 1.50 1.24 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 *77 K 8.34 4.55 0.00 2.07 1.90 0.00 1.89 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.61 1.86 7.81 78 Y 8.22 3.53 0.00 2.43 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 79 D 8.35 4.36 0.00 2.79 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 80 D 8.10 4.35 0.00 2.88 2.46 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 81 F 8.17 4.00 0.00 3.18 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 82 Y 7.87 3.91 0.00 2.48 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 83 I 7.42 3.94 1.86 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 1.67 1.16 0.95 0.00 0.00 84 V 7.27 3.97 1.68 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 0.50 0.00 0.00 0.74 0.00 0.00 *86 G 8.04 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 87 E 7.88 3.88 0.00 1.88 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 2.31 2.30 0.00 88 K 7.64 3.92 0.00 1.19 0.74 0.00 0.87 0.00 0.00 0.61 0.00 0.00 2.68 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.04 1.24 7.81 89 I 7.64 3.95 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 1.86 0.82 0.94 0.00 0.00 90 L 7.90 4.09 0.00 1.59 1.72 0.89 0.83 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 91 K 7.52 4.32 0.00 1.94 1.84 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.49 7.81 92 R 7.34 3.94 0.00 2.01 1.94 0.00 3.33 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 93 D 8.73 4.50 0.00 2.80 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 94 P 0.00 4.24 0.00 2.28 2.29 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 95 L 7.83 3.98 0.00 1.77 1.91 0.90 1.27 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 96 D 8.02 4.40 0.00 2.93 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 97 E 7.97 3.96 0.00 2.14 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 2.52 2.51 0.00 98 I 7.63 3.77 2.00 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 1.69 0.90 0.85 0.00 0.00 99 K 8.25 4.09 0.00 1.99 1.90 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.63 7.81 100 R 8.67 3.99 0.00 2.05 2.04 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 101 A 8.47 4.19 1.65 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 0.00 0.00 102 F 8.70 3.34 0.00 3.21 3.25 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 0.00 103 Q 7.89 4.00 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 104 L 7.44 4.12 0.00 1.93 1.69 0.97 0.76 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 0.00 105 F 8.00 3.90 0.00 2.64 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 0.00 106 D 7.95 4.60 0.00 2.06 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 0.00 107 D 7.33 4.22 0.00 2.54 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 0.00 108 D 7.88 4.42 0.00 2.74 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 0.00 109 H 7.70 4.23 0.00 3.25 3.35 0.00 5.82 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.93 4.30 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 1.28 0.00 0.00 111 G 9.40 4.17 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 0.00 112 K 7.36 4.97 0.00 1.67 1.75 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.51 7.81 113 I 9.11 4.18 1.79 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.35 0.91 0.00 0.00 114 S 9.18 4.72 0.00 3.89 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.53 3.71 1.89 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 1.71 1.22 0.92 0.00 0.00 116 K 7.98 4.04 0.00 2.00 2.04 0.00 1.55 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.50 7.81 117 N 7.80 4.20 0.00 3.02 3.00 0.00 0.00 6.96 6.66 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 0.00 118 L 7.84 4.12 0.00 1.97 1.80 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.05 3.96 0.00 2.09 1.92 0.00 3.15 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 120 R 7.94 3.76 0.00 2.05 1.96 0.00 3.08 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 121 V 7.36 3.29 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 0.57 0.00 0.00 0.01 0.00 0.00 122 A 7.46 3.99 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 K 7.75 3.96 0.00 2.00 1.86 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 124 E 7.78 3.95 0.00 2.08 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 2.29 2.30 0.00 125 L 8.06 4.39 0.00 1.69 1.68 0.94 0.68 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 0.00 126 G 8.03 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 0.00 0.00 0.00 127 E 7.37 4.10 0.00 1.96 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 2.44 0.00 128 T 8.19 4.64 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 0.00 129 L 8.38 4.88 0.00 1.75 1.76 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 130 T 8.45 4.24 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 1.22 0.00 0.00 131 D 8.62 4.37 0.00 2.75 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 0.00 132 E 8.24 3.97 0.00 2.17 2.23 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 2.38 2.37 0.00 133 E 7.58 3.97 0.00 2.26 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 2.37 2.38 0.00 134 L 7.71 4.23 0.00 1.82 1.76 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.29 4.16 0.00 2.06 2.20 0.00 2.80 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.72 0.00 136 A 8.07 4.14 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 *138 I 7.78 4.19 2.08 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 1.51 0.65 0.95 0.00 0.00 139 E 9.05 3.90 0.00 1.89 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 2.31 2.27 0.00 140 E 7.79 3.89 0.00 1.94 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 1.68 1.47 0.00 141 F 7.90 4.73 0.00 3.07 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 0.00 142 D 8.45 4.72 0.00 2.76 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 0.00 143 L 8.86 4.63 0.00 1.68 1.69 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.50 4.38 0.00 2.99 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 0.00 145 G 8.28 4.08 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 0.00 0.00 0.00 146 D 7.95 4.43 0.00 2.82 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 0.00 147 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 0.00 148 E 8.42 4.76 0.00 2.16 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 2.25 2.46 0.00 149 I 8.14 4.69 1.96 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 1.46 1.12 1.10 0.00 0.00 150 N 8.94 5.15 0.00 3.04 3.04 0.00 0.00 6.19 7.07 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 0.00 151 E 8.27 2.98 0.00 1.16 1.59 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 2.05 1.56 0.00 152 N 8.04 4.31 0.00 2.97 2.84 0.00 0.00 7.14 7.66 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 0.00 153 E 8.68 4.07 0.00 2.35 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 2.55 2.47 0.00 154 F 8.62 4.21 0.00 3.33 3.25 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 0.00 155 I 7.98 3.51 1.99 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 1.42 0.62 0.86 0.00 0.00 156 A 7.70 3.98 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 6.95 3.03 1.47 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 -0.36 0.46 0.00 0.00 158 C 7.44 3.99 0.00 2.55 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 0.00 159 T 7.26 4.38 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 1.18 0.00 0.00 160 D 8.43 4.57 0.00 2.63 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 0.00 161 S 8.36 4.19 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.