NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4660 8.2893 120.3251 55.5096 32.5747 174.9960 2 D 4.4030 8.6843 123.3577 53.2992 40.2417 174.8272 3 K 4.5509 7.8951 119.4886 55.4206 35.4047 176.8251 4 V 4.2008 8.0941 121.4478 61.4981 33.4739 173.8781 5 Y 4.5593 8.5701 125.7684 56.2814 39.1627 174.7671 6 L 4.5593 8.2177 127.8326 53.9999 43.4416 176.3214 7 T 4.4513 9.1104 116.6575 60.4401 70.7699 175.9292 8 W 4.3570 8.9474 122.1085 59.8032 29.0923 178.5916 9 W 4.9944 8.5997 127.8991 60.4438 30.1088 178.0933 10 Q 3.9889 8.1505 118.0138 58.8944 28.2800 178.5319 11 V 3.8344 8.1863 119.3493 66.1184 31.5751 177.8983 12 D 4.5260 8.9097 119.0885 57.6544 40.9465 179.0166 13 R 3.8703 7.9916 118.3284 58.9406 29.8797 179.0569 14 A 3.8864 8.3470 121.0735 55.1990 18.3941 179.7873 15 I 3.6380 7.9083 118.3526 64.5065 36.9890 178.7472 16 F 4.1689 8.4101 118.5125 60.1718 38.1803 177.7274 17 A 4.0179 7.9849 120.2747 54.9796 18.1292 179.6190 18 L 3.8157 8.0124 117.3284 57.9671 41.6823 179.6036 19 A 3.8848 8.0316 120.5991 55.1866 18.0272 179.2916 20 E 3.9690 7.7096 117.0123 58.9115 29.8080 178.6985 21 K 4.1610 7.4886 117.6030 58.9054 32.3781 179.1061 22 L 3.9272 7.9366 119.2185 57.3199 40.4163 179.6814 23 R 3.9727 7.7935 118.2316 59.1805 29.7161 178.7552 24 E 4.1744 7.8915 117.5950 59.1027 29.4839 178.0471 25 Y 4.4906 7.4328 115.2686 57.0811 40.3844 175.1519 26 K 3.6772 7.6382 116.3621 56.6019 29.6723 172.6903 27 P 4.2795 0.0000 0.0000 62.6356 32.4138 176.0517 28 D 4.9969 8.5545 119.6326 54.9647 43.3717 177.1960 29 V 4.6943 7.5514 116.1627 60.2721 35.0705 173.6519 30 I 4.8793 8.5086 123.3692 59.6657 40.4447 174.7385 31 I 4.7612 8.9655 127.2525 59.5864 39.8438 174.6695 32 G 4.1262 8.6550 115.8683 45.0000 0.0000 172.0170 33 V 4.5272 8.4563 125.9268 61.5461 32.2325 175.2019 34 A 4.2329 8.4815 130.5261 53.1384 18.7052 177.5796 35 R 4.4199 8.7185 118.0412 58.0272 31.5490 179.4475 36 G 3.9777 7.6654 106.2327 46.9514 0.0000 175.6617 37 G 3.9586 7.9294 108.7736 47.1430 0.0000 175.5547 38 L 3.9877 7.8574 120.9681 57.5191 41.5609 179.2874 39 I 3.4303 6.9687 119.8057 63.9785 36.8838 176.6542 40 P 4.2372 0.0000 0.0000 65.1450 31.1548 178.6254 41 A 3.8924 7.8898 119.8726 55.1804 18.4497 179.6704 42 V 3.4791 7.9342 116.8009 66.2624 31.5650 178.4055 43 R 3.9058 7.7980 117.3198 59.4140 29.8669 179.1629 44 L 3.9202 8.2775 119.1133 57.4160 41.5266 179.2497 45 S 4.0269 8.2187 113.5505 61.8531 61.8383 176.1207 46 H 4.0917 7.9450 117.8632 59.1034 28.3203 177.8377 47 I 3.7743 7.6399 120.0523 63.7539 37.1888 177.1059 48 L 4.6251 8.0710 119.1338 54.4090 43.2559 176.2578 49 G 3.5951 8.1792 101.7875 49.1447 0.0000 174.2799 50 D 4.6411 7.8339 113.3650 53.7042 39.1106 174.7802 51 I 4.1638 7.2069 112.0361 59.6021 39.3563 175.6761 52 P 4.3400 0.0000 0.0000 63.6070 32.2791 174.5282 53 L 5.0421 8.3263 122.1288 53.4849 44.5976 175.4534 54 K 4.6973 8.9861 125.7715 54.6075 35.2343 175.2634 55 V 4.8260 8.2686 122.7045 61.1543 33.7428 174.5310 56 I 5.4096 8.4763 126.9727 58.1883 41.5917 173.3233 57 D 5.1065 8.5891 127.2338 52.3993 44.3112 173.9800 58 V 4.6223 8.5436 125.5666 61.1968 33.5545 174.6773 59 K 4.7233 8.5226 127.0576 54.6972 35.4457 175.1963 60 F 5.0599 8.4816 119.0063 56.0705 42.4058 174.1795 61 Y 5.4287 8.7432 119.3012 56.1601 42.3842 174.4925 62 K 4.7406 8.6998 119.9423 55.1872 34.9115 175.6552 *69 E 4.1957 8.2840 119.9029 56.2212 30.9870 174.0704 70 K 4.7260 8.8940 120.7962 54.3315 34.6110 173.9591 71 P 4.2268 0.0000 0.0000 62.4541 32.5173 176.0308 72 V 4.2925 7.9297 115.5813 59.5161 35.4427 174.7633 73 I 4.5525 8.2827 126.3992 60.6573 36.9024 175.8012 74 T 4.1289 8.5989 118.7173 63.4904 70.0120 175.3710 75 I 4.5880 7.5094 122.5501 58.8681 39.5948 172.7870 76 P 4.7913 0.0000 0.0000 62.1765 32.6839 175.9148 77 I 4.1964 8.0717 114.4200 59.5675 38.6304 175.3248 78 H 4.6343 8.5830 122.9814 54.9893 30.3445 175.3345 79 G 4.0022 8.6478 106.9770 45.6612 0.0000 172.0571 80 D 5.0310 8.2076 117.2468 51.6460 42.1552 175.8566 81 L 4.6134 8.3729 118.1218 54.1642 42.1320 176.3222 82 K 4.2837 8.0229 119.6003 57.3847 32.2194 176.1294 83 D 4.4236 8.8251 126.4530 55.4925 38.5382 174.0306 84 K 4.7033 7.9152 117.1099 54.4687 36.2729 176.7844 85 R 4.0594 8.9458 125.3205 56.4382 30.8531 176.2143 86 V 4.8200 9.0086 125.4898 61.5475 34.1770 175.0629 87 V 4.9807 8.3624 124.2174 60.2069 34.4990 174.1054 88 I 4.8101 8.8539 126.9812 59.6898 39.1842 174.7825 89 V 5.4284 8.8443 127.0960 60.4735 34.3369 173.8487 90 D 4.9314 8.3683 125.5176 52.9640 44.9593 175.4003 91 D 4.4317 8.8588 120.6017 55.6951 40.0828 176.2958 92 V 4.7377 7.4600 117.9769 59.2394 34.8223 174.0869 93 S 3.9786 8.8825 119.4992 57.7937 62.4744 172.8893 94 D 4.4351 8.7772 128.3339 55.4703 42.1826 178.3003 95 T 4.0965 7.8680 108.0696 63.9533 70.2292 176.9867 96 G 3.9910 8.7629 108.1567 45.5164 0.0000 174.8371 97 K 3.8356 8.2985 121.0686 60.6000 32.1042 178.3008 98 T 4.1700 7.8869 114.9191 66.7190 68.4789 176.6753 99 L 4.0759 7.9658 120.4393 57.6499 41.6490 179.3226 100 E 3.9513 8.3730 118.6644 59.5417 29.3747 179.5820 101 V 3.6536 7.5881 117.2035 65.7455 31.4708 178.1569 102 V 3.6721 7.6210 117.7467 65.6551 31.4209 178.0301 103 I 3.7370 8.0499 119.8916 64.3202 36.8475 178.1575 104 E 3.9729 8.2749 119.3456 59.6551 29.1269 179.3666 105 E 3.9449 7.6900 117.2598 59.3423 29.6574 179.3387 106 V 3.7506 7.9305 118.4079 65.8562 31.5162 178.3404 107 K 4.0342 8.2483 118.4129 59.1290 31.7536 178.7435 108 K 4.2420 8.1778 117.1703 57.6687 32.3203 177.3245 109 L 4.7456 7.9648 117.0414 54.8210 42.5112 177.2445 110 G 3.9262 8.4471 108.0076 45.1553 0.0000 172.9882 111 A 4.0870 8.0153 121.5731 52.4532 18.5712 178.0301 112 K 4.1687 8.2838 124.3172 59.3032 32.5245 176.5815 113 E 4.9107 8.0771 118.9675 54.6631 33.6374 173.3717 114 I 5.2052 8.3792 124.0616 59.5998 40.7026 174.8748 115 K 4.7630 8.9953 124.9178 54.5504 36.6477 175.1298 116 I 5.0498 8.9056 122.6958 59.5126 40.6231 174.3526 117 A 5.4806 9.2317 128.7651 50.4745 21.8730 174.7309 118 C 5.8767 8.9730 118.5406 57.1596 32.9854 175.4058 119 L 4.2225 8.7552 120.1012 57.5508 42.6318 176.6696 120 A 5.4414 8.6483 119.0282 51.0639 23.5223 174.6308 121 M 4.8360 8.6496 114.8925 54.1042 34.9884 174.3738 122 K 4.4353 8.5525 121.3523 53.7932 33.1496 176.2960 123 P 4.0437 0.0000 0.0000 65.3050 31.0979 176.8863 124 W 4.7194 7.0767 113.7342 56.2651 28.3219 176.0957 125 T 4.5362 7.3528 112.8394 61.8659 66.9455 174.7026 126 S 4.3770 9.2915 121.6632 59.5904 63.6765 173.7000 127 V 4.2744 7.0533 121.0421 60.3848 30.9387 172.8582 128 V 3.6237 7.8749 122.1716 61.1790 31.5921 174.2064 129 P 4.4394 0.0000 0.0000 62.9298 31.8261 177.2018 130 D 4.2835 8.4109 121.0896 57.0810 41.5238 176.6535 131 Y 4.9243 7.6531 113.0953 56.6479 42.4716 174.0220 132 Y 5.7939 8.0127 120.1726 57.2319 40.6429 174.0286 133 V 3.9670 8.6129 118.3257 63.4652 33.9880 175.4904 134 F 5.1450 8.8276 119.5543 55.6071 41.3857 174.8976 135 R 4.8890 8.8534 123.8261 54.9785 31.8996 174.4161 136 T 4.7211 8.3185 120.2877 61.0307 71.3252 173.7343 137 E 4.5844 8.8539 121.9992 55.9697 30.9898 176.5137 138 K 4.5075 7.7131 118.7259 54.5308 33.8616 175.9710 139 W 4.3137 8.4647 130.1377 57.5729 31.9502 174.5110 140 I 4.2812 6.9374 126.3808 59.2743 38.8337 175.0246 141 V 4.0539 8.2860 127.7332 61.0471 32.9618 175.0499 142 F 4.0867 8.7787 127.6797 55.9068 39.5597 175.2600 143 P 3.9288 0.0000 0.0000 65.1136 30.9547 177.3112 144 W 4.9166 7.1377 112.2920 56.2780 28.5562 175.5177 145 E 4.6790 7.8071 119.1586 55.0716 30.6842 175.6901 146 E 4.1919 8.5160 121.3765 55.6333 30.9488 175.7163 147 F 5.3240 8.0269 118.4179 55.5141 41.4309 174.0297 148 P 4.6723 0.0000 0.0000 61.7899 32.3184 175.7697 149 V 4.2114 8.1350 121.0313 61.1578 32.8297 175.4357 150 I 4.0558 8.2951 128.5322 60.6701 36.6471 175.0320 151 E 4.5820 8.3352 126.8730 54.8221 31.8886 176.8651 152 K 4.1899 8.3832 118.3246 57.2346 32.7646 176.1615 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 M 8.29 4.47 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 2 D 8.68 4.40 0.00 2.85 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 3 K 7.90 4.55 0.00 1.42 1.45 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.69 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.39 7.81 4 V 8.09 4.20 1.76 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 0.67 0.00 0.00 0.79 0.00 0.00 5 Y 8.57 4.56 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 6 L 8.22 4.56 0.00 1.33 1.30 0.13 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 7 T 9.11 4.45 4.42 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 1.32 0.00 0.00 8 W 8.95 4.36 0.00 3.62 3.47 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 9 W 8.60 4.99 0.00 3.44 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.15 3.99 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 11 V 8.19 3.83 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 1.11 0.00 0.00 12 D 8.91 4.53 0.00 3.42 3.26 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 13 R 7.99 3.87 0.00 1.54 1.66 0.00 2.60 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.50 0.00 14 A 8.35 3.89 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 15 I 7.91 3.64 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 1.52 1.01 0.71 0.00 0.00 16 F 8.41 4.17 0.00 3.22 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 17 A 7.98 4.02 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 18 L 8.01 3.82 0.00 1.79 1.61 0.96 0.80 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 19 A 8.03 3.88 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 20 E 7.71 3.97 0.00 2.08 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 2.33 2.39 0.00 21 K 7.49 4.16 0.00 1.70 1.72 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.66 7.81 22 L 7.94 3.93 0.00 1.68 1.67 0.81 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.79 3.97 0.00 1.83 1.98 0.00 3.32 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 24 E 7.89 4.17 0.00 2.05 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 0.00 2.37 2.43 0.00 25 Y 7.43 4.49 0.00 2.95 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.64 3.68 0.00 1.77 1.69 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.38 7.81 27 P 0.00 4.28 0.00 2.02 2.04 0.00 3.59 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 2.10 2.38 0.00 28 D 8.55 5.00 0.00 2.47 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.55 4.69 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 0.73 0.00 0.00 0.93 0.00 0.00 30 I 8.51 4.88 1.85 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 1.23 0.66 0.94 0.00 0.00 31 I 8.97 4.76 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 1.16 0.72 0.90 0.00 0.00 32 G 8.66 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 0.00 0.00 0.00 33 V 8.46 4.53 2.20 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 0.93 0.00 0.00 0.98 0.00 0.00 34 A 8.48 4.23 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 35 R 8.72 4.42 0.00 1.95 2.01 0.00 3.21 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 36 G 7.67 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 0.00 0.00 0.00 37 G 7.93 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 0.00 0.00 0.00 38 L 7.86 3.99 0.00 1.66 1.62 0.87 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 I 6.97 3.43 0.89 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 -0.36 0.87 0.00 0.00 40 P 0.00 4.24 0.00 2.10 2.07 0.00 3.66 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 41 A 7.89 3.89 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 42 V 7.93 3.48 2.20 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 1.05 0.00 0.00 0.92 0.00 0.00 43 R 7.80 3.91 0.00 1.98 1.85 0.00 3.35 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 44 L 8.28 3.92 0.00 1.67 1.66 0.87 0.58 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 45 S 8.22 4.03 0.00 3.96 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 46 H 7.95 4.09 0.00 3.41 3.33 0.00 5.88 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 47 I 7.64 3.77 1.80 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.60 0.95 0.00 0.00 48 L 8.07 4.63 0.00 1.63 1.65 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.18 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.83 4.64 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.21 4.16 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.49 0.93 0.00 0.00 52 P 0.00 4.34 0.00 2.11 2.23 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.98 0.00 53 L 8.33 5.04 0.00 1.55 1.51 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.99 4.70 0.00 1.71 1.65 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.33 7.81 55 V 8.27 4.83 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 0.74 0.00 0.00 0.90 0.00 0.00 56 I 8.48 5.41 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.84 0.90 0.00 0.00 57 D 8.59 5.11 0.00 2.73 2.50 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 0.00 58 V 8.54 4.62 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 0.50 0.00 0.00 0.87 0.00 0.00 59 K 8.52 4.72 0.00 1.26 1.41 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.17 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.49 7.81 60 F 8.48 5.06 0.00 2.81 2.93 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 61 Y 8.74 5.43 0.00 2.94 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 62 K 8.70 4.74 0.00 1.89 1.85 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.46 7.81 *69 E 8.28 4.20 0.00 2.19 2.41 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 2.31 2.36 0.00 70 K 8.89 4.73 0.00 1.81 1.69 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.36 7.81 71 P 0.00 4.23 0.00 1.74 1.60 0.00 3.75 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 1.88 1.97 0.00 72 V 7.93 4.29 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 0.64 0.00 0.00 0.44 0.00 0.00 73 I 8.28 4.55 1.80 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 1.30 0.39 0.88 0.00 0.00 74 T 8.60 4.13 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 75 I 7.51 4.59 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.92 0.92 0.00 0.00 76 P 0.00 4.79 0.00 1.88 1.98 0.00 3.66 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 1.78 1.91 0.00 77 I 8.07 4.20 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.91 0.00 0.00 78 H 8.58 4.63 0.00 3.17 3.24 0.00 5.76 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 79 G 8.65 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 5.03 0.00 2.93 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.37 4.61 0.00 1.79 1.67 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.02 4.28 0.00 1.77 1.81 0.00 1.75 0.00 0.00 0.61 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.44 7.81 83 D 8.83 4.42 0.00 2.86 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 84 K 7.92 4.70 0.00 1.87 1.65 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.56 7.81 85 R 8.95 4.06 0.00 1.44 1.34 0.00 2.51 0.00 0.00 2.86 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.43 0.00 86 V 9.01 4.82 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 1.01 0.00 0.00 0.99 0.00 0.00 87 V 8.36 4.98 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 0.96 0.00 0.00 0.99 0.00 0.00 88 I 8.85 4.81 1.89 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 1.13 0.78 0.92 0.00 0.00 89 V 8.84 5.43 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 1.06 0.00 0.00 0.93 0.00 0.00 90 D 8.37 4.93 0.00 2.71 2.43 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 0.00 0.00 0.00 0.00 91 D 8.86 4.43 0.00 2.01 2.61 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 92 V 7.46 4.74 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 0.69 0.00 0.00 0.81 0.00 0.00 93 S 8.88 3.98 0.00 3.84 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 94 D 8.78 4.44 0.00 2.69 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.87 4.10 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 96 G 8.76 3.99 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 0.00 0.00 0.00 97 K 8.30 3.84 0.00 1.72 1.73 0.00 0.61 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.97 1.31 7.81 98 T 7.89 4.17 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 1.30 0.00 0.00 99 L 7.97 4.08 0.00 1.83 1.73 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.37 3.95 0.00 2.26 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 2.35 2.44 0.00 101 V 7.59 3.65 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 0.92 0.00 0.00 1.02 0.00 0.00 102 V 7.62 3.67 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 0.98 0.00 0.00 1.00 0.00 0.00 103 I 8.05 3.74 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 0.79 0.92 0.00 0.00 104 E 8.27 3.97 0.00 2.15 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 2.46 2.51 0.00 105 E 7.69 3.94 0.00 2.11 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 2.32 2.43 0.00 106 V 7.93 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 1.05 0.00 0.00 1.01 0.00 0.00 107 K 8.25 4.03 0.00 2.03 1.85 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.55 7.81 108 K 8.18 4.24 0.00 1.87 1.97 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 109 L 7.96 4.75 0.00 1.80 1.63 1.01 1.42 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 0.00 110 G 8.45 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 0.00 111 A 8.02 4.09 1.31 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 0.00 0.00 112 K 8.28 4.17 0.00 2.00 1.97 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.41 7.81 113 E 8.08 4.91 0.00 2.13 1.93 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 2.40 2.42 0.00 114 I 8.38 5.21 1.89 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 1.39 0.83 0.93 0.00 0.00 115 K 9.00 4.76 0.00 1.18 1.52 0.00 1.22 0.00 0.00 1.01 0.00 0.00 2.62 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.73 1.15 7.81 116 I 8.91 5.05 1.87 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 1.17 0.88 0.93 0.00 0.00 117 A 9.23 5.48 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 0.00 118 C 8.97 5.88 0.00 2.90 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 0.00 119 L 8.76 4.22 0.00 2.04 2.04 1.07 0.81 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 0.00 120 A 8.65 5.44 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 0.00 121 M 8.65 4.84 0.00 1.50 1.63 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.81 0.00 122 K 8.55 4.44 0.00 0.79 0.74 0.00 1.35 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.14 1.29 7.81 123 P 0.00 4.04 0.00 2.20 2.14 0.00 3.02 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 124 W 7.08 4.72 0.00 3.38 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 T 7.35 4.54 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 1.12 0.00 0.00 126 S 9.29 4.38 0.00 4.02 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 0.00 127 V 7.05 4.27 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 0.78 0.00 0.00 0.99 0.00 0.00 128 V 7.87 3.62 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 0.90 0.00 0.00 0.89 0.00 0.00 129 P 0.00 4.44 0.00 2.43 2.04 0.00 3.50 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 130 D 8.41 4.28 0.00 2.23 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 0.00 0.00 0.00 131 Y 7.65 4.92 0.00 2.89 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 0.00 132 Y 8.01 5.79 0.00 2.93 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 0.00 133 V 8.61 3.97 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.72 0.00 0.00 134 F 8.83 5.15 0.00 3.09 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 0.00 135 R 8.85 4.89 0.00 2.00 1.89 0.00 3.36 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 136 T 8.32 4.72 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 1.04 0.00 0.00 137 E 8.85 4.58 0.00 2.07 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 2.30 2.33 0.00 138 K 7.71 4.51 0.00 1.71 1.85 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.37 7.81 139 W 8.46 4.31 0.00 3.42 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 6.94 4.28 0.96 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 0.78 0.33 -0.56 0.00 0.00 141 V 8.29 4.05 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 1.16 0.00 0.00 0.52 0.00 0.00 142 F 8.78 4.09 0.00 1.51 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 0.00 143 P 0.00 3.93 0.00 0.49 0.95 0.00 2.81 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.81 0.00 144 W 7.14 4.92 0.00 3.56 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 0.00 145 E 7.81 4.68 0.00 2.01 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 2.36 2.08 0.00 146 E 8.52 4.19 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 2.29 2.33 0.00 147 F 8.03 5.32 0.00 3.08 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 P 0.00 4.67 0.00 2.05 1.98 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 149 V 8.13 4.21 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 0.85 0.00 0.00 0.98 0.00 0.00 150 I 8.30 4.06 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.93 0.90 0.00 0.00 151 E 8.34 4.58 0.00 1.95 1.92 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 2.26 2.32 0.00 152 K 8.38 4.19 0.00 1.69 1.65 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.