NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2618 8.1593 117.3737 63.5084 69.7283 174.2751 2 S 4.3680 8.3917 122.0140 56.2531 66.3749 173.2701 3 K 4.0708 9.1511 122.8213 59.5784 32.4718 179.8136 4 K 3.9533 8.0015 118.3462 59.4317 31.8260 179.0145 5 K 4.0818 7.7084 118.5340 58.5913 32.1886 178.0241 6 R 4.3711 7.3798 115.7639 56.6497 30.5439 177.7856 7 Q 4.1879 7.9036 118.9441 57.1792 28.4334 175.8355 8 R 3.9657 7.5592 118.8633 59.0559 29.9563 176.3537 9 G 4.1032 8.9929 111.4198 45.5076 0.0000 174.0274 10 S 4.1509 8.0838 113.4674 58.5650 63.0746 173.4151 11 R 4.0731 7.6518 123.3627 57.5060 29.3831 176.4470 12 T 4.1708 7.5554 105.9112 62.0259 69.6637 174.5819 13 H 4.3846 8.4546 117.6533 55.6320 26.8926 175.7963 14 G 3.9732 8.6038 106.6122 45.3766 0.0000 175.2491 15 G 3.7919 7.9899 107.9289 46.3468 0.0000 174.6067 16 G 4.0219 7.6667 106.7515 44.5779 0.0000 176.2805 17 S 4.3042 8.5647 119.0388 57.9207 62.6370 174.0430 18 H 4.4898 8.7380 120.1773 57.0360 28.5375 175.9728 19 K 4.1051 7.5937 118.7802 57.0345 31.9254 177.6236 20 N 4.3216 7.4960 117.4213 56.0017 39.2626 176.9227 21 R 4.4554 7.4572 119.0819 56.1709 29.1139 177.0564 22 R 4.6363 7.1926 122.6214 56.1917 30.6632 179.7457 23 G 4.0453 8.4697 122.5228 46.2954 0.0000 174.2065 24 A 4.2275 8.6429 121.2136 54.3066 18.3544 179.7365 25 G 3.7387 8.0353 104.1929 47.6770 0.0000 175.1523 26 H 4.4510 7.9618 119.5451 58.2299 29.9811 176.4155 27 R 4.4297 7.8918 117.3164 55.2422 30.7535 176.5091 28 G 3.7887 7.3917 106.6513 46.4813 0.0000 172.7682 29 G 4.0646 7.8082 105.0049 43.3484 0.0000 174.3750 30 R 4.3403 8.6270 118.8341 55.9582 32.0719 176.4185 31 G 3.9199 8.2360 111.7414 47.4644 0.0000 173.7091 32 D 4.6960 8.7156 124.9067 53.8471 40.5233 175.4682 33 A 3.9405 7.4170 123.4965 53.8342 18.8564 178.6165 34 G 3.8393 8.9891 109.9951 46.1149 0.0000 175.3976 35 R 3.8877 7.5998 115.7790 57.2856 29.4683 177.6385 36 D 4.8365 7.9047 116.8382 53.7997 42.8622 177.0727 37 K 3.9534 8.3947 118.0161 58.1427 30.3823 177.2469 38 H 4.6409 9.5704 124.9002 58.0843 29.0403 176.4688 39 E 4.7299 7.9950 121.0766 55.6137 30.0398 178.1240 40 F 4.8721 8.3985 115.2630 59.1841 38.3163 175.4463 41 H 3.7578 6.4255 119.0540 57.2159 28.8041 174.7363 42 N 4.2343 8.7576 120.1056 54.9166 36.0587 173.8417 43 H 4.9127 8.0131 112.5788 53.6000 32.2335 173.8443 44 E 4.1398 8.7657 123.6825 55.2620 29.9510 175.2420 45 P 4.4068 0.0000 0.0000 62.8094 31.7147 176.0718 46 L 4.0775 8.1156 119.4257 55.5788 42.2040 176.1157 47 G 4.1174 8.3794 107.2571 43.9569 0.0000 173.3883 48 K 4.5048 8.2598 118.9701 54.9104 33.6160 176.5771 49 S 4.4925 8.0021 115.7468 57.3721 65.4443 175.2974 50 G 4.0664 8.9375 117.1508 45.5206 0.0000 171.9504 51 F 5.0558 8.5403 113.0093 55.1995 41.1216 173.6045 52 K 4.3067 8.3781 119.9104 54.4582 34.7547 176.5156 53 R 4.3786 8.0874 122.1989 54.3906 31.2878 174.7179 54 P 4.3309 0.0000 0.0000 63.0020 31.6562 177.1899 55 Q 3.9177 8.8664 120.9694 58.8292 28.6758 178.0699 56 K 4.2870 7.9595 113.7370 57.0875 33.1856 176.9594 57 V 4.2138 7.8693 118.5109 62.7669 31.9680 174.8299 58 Q 4.5063 7.8146 117.7684 55.1917 29.9275 174.6078 59 E 4.5596 8.6138 122.0051 54.7063 31.3992 174.8901 60 E 4.5668 8.5664 123.3417 54.3268 31.9811 174.4609 61 A 4.0343 8.3824 128.7749 50.9523 20.3474 176.3301 62 A 4.4306 8.5919 124.0960 50.8940 20.0772 176.4661 63 T 5.1857 8.1324 112.0082 60.5088 71.2725 174.2151 64 I 4.4998 7.7959 121.7151 60.2048 41.7421 173.5353 65 D 5.2273 8.6458 128.3316 53.3398 42.2919 178.0130 66 V 3.7222 8.1918 115.0743 64.4808 31.4066 179.0681 67 R 3.8803 7.5887 118.4190 59.4014 29.6614 178.2069 68 E 3.9737 7.8627 117.8219 59.0096 29.8062 178.7099 69 I 3.8442 7.5978 119.5175 64.4620 37.2035 177.6917 70 D 4.3068 8.1496 117.7409 57.3717 41.1265 177.8012 71 E 4.1862 8.1985 117.7908 58.0252 29.6917 177.3148 72 N 4.8875 7.5282 115.1483 52.8833 39.2228 176.8904 73 V 3.3109 7.6710 114.4464 64.4758 31.6517 177.7979 74 T 3.9439 7.4933 108.6562 64.1343 69.0212 175.7124 75 L 4.0814 7.7325 120.6874 56.5194 42.8873 177.3421 76 L 4.4133 7.4244 121.3787 53.6553 40.4591 177.5458 77 A 4.2371 7.5768 120.2709 53.9909 19.3618 178.8105 78 A 4.2211 7.9402 117.1657 53.5058 18.9097 176.7487 79 D 5.1067 7.0649 114.3496 52.2955 43.2686 175.8133 80 D 4.2454 7.9816 120.0431 52.4554 42.0109 176.1284 81 V 4.4180 8.5615 123.8433 61.6384 32.1079 174.5551 82 A 4.5891 7.9695 133.8130 50.7408 20.9729 176.4939 83 E 3.8681 8.6253 112.5729 58.9514 29.8073 176.8598 *89 F 4.5168 7.7646 118.4191 57.4242 40.8842 173.5927 90 R 5.1368 8.4237 123.3774 54.6051 31.6120 175.6127 91 V 4.4597 8.5809 125.8260 60.0660 35.1182 174.2569 92 D 4.8690 8.7983 125.0274 52.8325 40.9552 176.6216 93 V 3.6771 8.3000 128.0595 65.8565 31.6483 178.3960 94 R 4.0055 8.0106 117.3292 58.4589 29.9647 176.7439 95 D 4.7413 7.9122 115.6822 54.1482 41.6101 176.9946 96 V 4.0182 7.6045 119.0105 64.2913 32.5309 176.5932 97 V 3.7250 7.4746 118.3366 62.5309 32.1685 175.3985 98 E 4.2306 8.5382 126.1547 56.2619 29.5465 176.4844 99 E 3.6457 8.7287 115.2105 57.4160 26.9943 176.2174 100 A 4.2347 7.4282 120.2575 53.6187 18.8935 179.5348 101 D 4.4442 8.1025 115.9366 57.1564 41.1182 177.1205 102 D 4.6313 8.0011 114.4397 53.0969 39.8223 175.6677 103 A 4.5549 6.9689 120.0154 51.0222 20.4502 177.3607 104 D 4.7064 8.7702 121.9852 57.4900 41.9985 175.6036 105 Y 4.8316 7.4229 113.9870 56.2562 41.8968 173.3108 106 V 4.6490 9.0941 120.2232 61.0172 33.9456 174.0117 107 K 4.9226 8.9640 129.8260 54.5550 34.6614 174.5663 108 V 4.5791 8.1471 127.5190 61.5287 33.2342 174.8799 109 L 4.4960 9.2977 128.6869 53.5051 44.1563 176.1954 110 G 4.3719 8.5088 108.7374 44.3612 0.0000 170.9958 111 A 4.6739 8.1431 124.2402 51.8018 22.2764 176.1046 112 G 3.7783 9.0185 108.5858 44.5828 0.0000 172.3299 113 Q 4.5006 8.1874 116.5589 54.3326 30.4741 176.0878 114 V 4.2602 7.9769 119.5816 61.3696 32.1509 175.5040 115 R 4.2290 8.8349 124.8915 56.9875 30.5206 176.0367 116 H 4.9727 7.8461 114.3384 53.3351 32.0312 173.0520 117 E 4.4159 8.7657 119.1248 55.9933 29.9592 175.7542 118 L 5.0499 8.5869 124.6049 53.1779 45.3634 175.9516 119 T 4.8224 9.0187 120.6125 61.9195 69.9750 172.1060 120 L 5.1095 8.4857 126.5008 53.3534 44.1474 175.5730 121 I 5.4088 8.5989 124.2324 59.0458 39.5617 174.6700 122 A 4.8237 8.6100 127.1112 50.7951 22.2463 176.4386 123 D 4.5382 8.7089 119.0647 57.3184 41.5723 176.7727 124 D 4.9043 8.0873 115.8799 52.8779 45.0951 174.3359 125 F 5.4068 8.7538 121.4974 55.8235 43.2096 174.4629 126 S 4.6942 8.4034 115.1665 57.1506 65.0107 174.9133 127 E 4.1057 8.8789 120.2903 59.2282 29.1801 178.8282 128 G 3.6822 8.1264 105.1557 47.1981 0.0000 175.5694 129 A 4.1308 7.8342 123.0131 55.0161 18.3210 179.9936 130 R 3.8274 7.8810 116.4328 59.5132 30.4006 178.8364 131 E 3.9466 7.9100 118.0591 59.7571 29.3036 179.8445 132 K 4.0985 7.6992 117.0404 58.8627 32.4584 179.2810 133 V 3.8468 7.3340 117.4404 65.7754 31.4653 177.9759 134 E 4.4940 8.0331 120.0946 58.3583 29.1005 178.6088 135 G 3.8538 7.8546 104.9320 46.2095 0.0000 173.7289 136 A 4.5423 7.7713 121.0734 51.3855 19.8879 176.0963 137 G 3.6883 8.1566 103.8250 46.8726 0.0000 173.0958 138 G 4.6694 8.3037 104.6922 43.1402 0.0000 172.1875 139 S 4.8851 8.4820 112.7687 56.2507 66.8616 173.0116 140 V 4.2798 8.1703 120.5106 61.1297 33.4841 174.3448 141 E 4.6199 8.9759 128.1077 54.5313 31.6844 174.7702 142 L 5.0553 8.4763 127.2728 54.3568 43.5557 176.5883 143 T 4.3701 8.1601 121.6712 63.1198 69.8496 175.1077 144 D 4.7111 8.6453 120.5659 56.3567 41.3778 177.8755 145 L 4.1262 7.9567 121.0751 57.3559 42.3808 177.9318 146 G 4.0221 7.6649 104.7597 46.2313 0.0000 173.0187 147 E 4.4238 7.8035 118.2823 57.0448 29.6149 177.5244 148 E 4.5744 8.0815 116.2916 56.4617 30.6620 177.4249 149 R 4.3005 7.4025 120.4257 53.1563 28.8437 176.1660 150 Q 4.2288 7.5002 121.8267 56.8143 29.0126 173.1713 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 T 8.16 4.26 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 2 S 8.39 4.37 0.00 4.10 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 9.15 4.07 0.00 1.84 1.83 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.52 7.81 4 K 8.00 3.95 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.50 7.81 5 K 7.71 4.08 0.00 1.68 1.98 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 6 R 7.38 4.37 0.00 1.96 1.92 0.00 3.20 0.00 0.00 3.21 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 7 Q 7.90 4.19 0.00 1.97 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.97 0.00 0.00 0.00 0.00 0.00 2.61 2.44 0.00 8 R 7.56 3.97 0.00 1.79 1.91 0.00 3.36 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 9 G 8.99 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 10 S 8.08 4.15 0.00 3.98 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 11 R 7.65 4.07 0.00 1.98 2.03 0.00 3.21 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 12 T 7.56 4.17 4.31 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 1.31 0.00 0.00 13 H 8.45 4.38 0.00 3.25 3.40 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.60 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 0.00 0.00 0.00 15 G 7.99 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.67 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 0.00 0.00 0.00 0.00 17 S 8.56 4.30 0.00 3.87 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.74 4.49 0.00 3.31 3.38 0.00 5.57 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.59 4.11 0.00 1.74 1.81 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.28 1.29 7.81 20 N 7.50 4.32 0.00 2.75 2.60 0.00 0.00 6.96 7.72 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 21 R 7.46 4.46 0.00 1.79 1.92 0.00 3.20 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 22 R 7.19 4.64 0.00 1.76 1.06 0.00 3.20 0.00 0.00 3.20 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 23 G 8.47 4.05 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 0.00 0.00 0.00 24 A 8.64 4.23 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 25 G 8.04 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 7.96 4.45 0.00 3.05 3.47 0.00 5.94 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.89 4.43 0.00 2.09 1.94 0.00 3.31 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 28 G 7.39 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.81 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 30 R 8.63 4.34 0.00 1.89 1.87 0.00 3.25 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 31 G 8.24 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 32 D 8.72 4.70 0.00 2.74 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 33 A 7.42 3.94 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 34 G 8.99 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 0.00 0.00 0.00 35 R 7.60 3.89 0.00 1.83 2.13 0.00 2.76 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 36 D 7.90 4.84 0.00 2.76 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 37 K 8.39 3.95 0.00 1.85 1.74 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.40 7.81 38 H 9.57 4.64 0.00 3.33 3.47 0.00 5.47 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.99 4.73 0.00 2.05 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 2.17 2.03 0.00 40 F 8.40 4.87 0.00 3.10 3.32 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 0.00 41 H 6.43 3.76 0.00 3.11 3.07 0.00 5.81 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.76 4.23 0.00 2.78 2.85 0.00 0.00 6.82 8.16 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 43 H 8.01 4.91 0.00 3.35 3.20 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 44 E 8.77 4.14 0.00 1.98 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 2.30 0.00 45 P 0.00 4.41 0.00 2.19 2.10 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 46 L 8.12 4.08 0.00 1.66 1.64 0.91 0.96 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 47 G 8.38 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 0.00 0.00 0.00 48 K 8.26 4.50 0.00 1.77 1.76 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.42 7.81 49 S 8.00 4.49 0.00 3.78 3.69 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 50 G 8.94 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 0.00 0.00 0.00 51 F 8.54 5.06 0.00 3.12 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 52 K 8.38 4.31 0.00 1.69 1.65 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.23 1.36 7.81 53 R 8.09 4.38 0.00 1.74 1.87 0.00 3.29 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.43 0.00 54 P 0.00 4.33 0.00 2.23 2.21 0.00 3.79 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 2.10 2.03 0.00 55 Q 8.87 3.92 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 56 K 7.96 4.29 0.00 1.86 1.92 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.42 7.81 57 V 7.87 4.21 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 0.84 0.00 0.00 0.95 0.00 0.00 58 Q 7.81 4.51 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.50 0.00 0.00 0.00 0.00 0.00 2.28 2.57 0.00 59 E 8.61 4.56 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 60 E 8.57 4.57 0.00 1.97 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 0.00 2.17 2.21 0.00 61 A 8.38 4.03 0.53 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 0.00 0.00 62 A 8.59 4.43 1.18 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 0.00 0.00 63 T 8.13 5.19 4.18 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 1.12 0.00 0.00 64 I 7.80 4.50 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.13 0.90 0.00 0.00 65 D 8.65 5.23 0.00 2.74 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 66 V 8.19 3.72 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 0.92 0.00 0.00 1.01 0.00 0.00 67 R 7.59 3.88 0.00 2.08 1.99 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 68 E 7.86 3.97 0.00 1.99 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 0.00 2.30 2.33 0.00 69 I 7.60 3.84 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.17 0.91 0.00 0.00 70 D 8.15 4.31 0.00 2.77 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 71 E 8.20 4.19 0.00 2.03 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 2.34 2.48 0.00 72 N 7.53 4.89 0.00 2.63 2.72 0.00 0.00 6.83 9.00 0.00 0.00 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 V 7.67 3.31 0.95 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 0.48 0.00 0.00 0.43 0.00 0.00 74 T 7.49 3.94 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 1.16 0.00 0.00 75 L 7.73 4.08 0.00 1.74 1.73 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.42 4.41 0.00 1.79 1.56 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.58 4.24 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 78 A 7.94 4.22 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 79 D 7.06 5.11 0.00 2.63 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 80 D 7.98 4.25 0.00 2.93 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 81 V 8.56 4.42 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 0.70 0.00 0.00 1.06 0.00 0.00 82 A 7.97 4.59 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 83 E 8.63 3.87 0.00 2.04 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 2.24 2.30 0.00 *89 F 7.76 4.52 0.00 3.11 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 90 R 8.42 5.14 0.00 1.83 1.86 0.00 3.22 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 91 V 8.58 4.46 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 0.73 0.00 0.00 0.94 0.00 0.00 92 D 8.80 4.87 0.00 2.81 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 93 V 8.30 3.68 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 0.86 0.00 0.00 0.99 0.00 0.00 94 R 8.01 4.01 0.00 1.85 1.98 0.00 3.25 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 95 D 7.91 4.74 0.00 2.78 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 96 V 7.60 4.02 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 0.72 0.00 0.00 0.92 0.00 0.00 97 V 7.47 3.72 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 0.81 0.00 0.00 0.98 0.00 0.00 98 E 8.54 4.23 0.00 2.05 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 2.30 0.00 99 E 8.73 3.65 0.00 2.15 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 2.27 2.26 0.00 100 A 7.43 4.23 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 0.00 101 D 8.10 4.44 0.00 2.67 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 0.00 102 D 8.00 4.63 0.00 2.76 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 0.00 103 A 6.97 4.55 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 0.00 104 D 8.77 4.71 0.00 2.81 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 7.42 4.83 0.00 3.08 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 9.09 4.65 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 0.84 0.00 0.00 0.89 0.00 0.00 107 K 8.96 4.92 0.00 1.84 1.51 0.00 1.92 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.48 7.81 108 V 8.15 4.58 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 1.00 0.00 0.00 0.57 0.00 0.00 109 L 9.30 4.50 0.00 1.77 1.56 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.51 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 0.00 111 A 8.14 4.67 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 G 9.02 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 0.00 0.00 0.00 113 Q 8.19 4.50 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 114 V 7.98 4.26 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 0.96 0.00 0.00 0.96 0.00 0.00 115 R 8.83 4.23 0.00 1.82 1.89 0.00 3.21 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 116 H 7.85 4.97 0.00 3.20 3.44 0.00 5.65 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.77 4.42 0.00 2.15 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 2.27 2.33 0.00 118 L 8.59 5.05 0.00 1.65 1.65 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 119 T 9.02 4.82 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 120 L 8.49 5.11 0.00 1.83 1.89 1.14 1.16 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 0.00 121 I 8.60 5.41 2.14 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 1.17 2.32 1.04 0.00 0.00 122 A 8.61 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.71 4.54 0.00 2.88 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 0.00 124 D 8.09 4.90 0.00 2.83 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 0.00 125 F 8.75 5.41 0.00 2.91 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.40 4.69 0.00 3.99 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 0.00 127 E 8.88 4.11 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 2.50 2.39 0.00 128 G 8.13 3.68 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 0.00 0.00 0.00 129 A 7.83 4.13 1.62 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 0.00 0.00 130 R 7.88 3.83 0.00 1.82 1.93 0.00 3.13 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 131 E 7.91 3.95 0.00 1.98 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 2.34 2.48 0.00 132 K 7.70 4.10 0.00 1.79 1.89 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.55 7.81 133 V 7.33 3.85 2.21 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 1.04 0.00 0.00 1.07 0.00 0.00 134 E 8.03 4.49 0.00 2.01 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 2.39 2.22 0.00 135 G 7.85 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 0.00 0.00 0.00 136 A 7.77 4.54 1.39 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 0.00 0.00 0.00 137 G 8.16 3.69 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 0.00 0.00 0.00 138 G 8.30 4.67 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 0.00 139 S 8.48 4.89 0.00 3.81 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.17 4.28 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 -0.19 0.00 0.00 0.27 0.00 0.00 141 E 8.98 4.62 0.00 1.98 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 2.20 0.00 142 L 8.48 5.06 0.00 1.69 1.61 1.28 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.16 4.37 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 1.24 0.00 0.00 144 D 8.65 4.71 0.00 2.68 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 L 7.96 4.13 0.00 1.69 1.77 1.02 1.20 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 0.00 146 G 7.66 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 0.00 0.00 0.00 0.00 147 E 7.80 4.42 0.00 2.26 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 2.31 2.46 0.00 148 E 8.08 4.57 0.00 1.84 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 2.40 0.00 149 R 7.40 4.30 0.00 1.80 1.90 0.00 3.28 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 150 Q 7.50 4.23 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.65 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.