NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0411 8.3549 109.7325 46.0164 0.0000 173.3235 2 H 4.7378 8.1641 124.0888 54.7471 27.0660 176.0570 *4 S 4.4096 9.3005 123.2698 59.4062 63.8289 170.6709 5 Y 4.9411 8.5601 120.4503 56.3222 41.3667 175.0279 6 S 5.0628 9.2271 118.2331 56.8248 67.2956 173.1145 7 I 4.8083 8.7042 123.3332 59.9429 40.6432 174.3665 8 T 5.0775 8.9378 124.0514 61.7988 70.9125 173.2925 9 L 5.7414 9.2580 126.5857 52.2631 44.7455 175.6925 10 R 4.9414 8.5868 121.1908 54.3654 33.7524 174.4206 11 V 4.7744 8.4040 122.9876 61.6419 33.2854 174.2132 12 Y 4.6796 9.3809 125.9718 56.2970 40.4515 174.5545 13 Q 5.1993 8.9433 123.2875 54.4624 30.5719 175.3812 14 T 4.6326 9.0093 112.5570 61.0933 71.8954 173.0898 15 N 4.9045 8.1024 120.2897 51.4781 40.7285 174.6097 16 R 4.0925 8.6821 126.0589 59.2659 30.4243 179.0160 17 D 4.4589 8.3680 117.0097 56.9696 40.8062 177.3554 18 R 4.1455 8.0833 116.4082 55.6527 30.2790 177.8132 19 G 3.7994 7.8075 108.7898 44.7252 0.0000 171.6769 20 Y 4.6471 8.2158 119.3897 55.7322 40.9036 175.2064 21 F 4.8063 8.0784 125.3418 56.5162 40.6617 175.1587 22 S 4.8599 8.3926 115.5325 56.4050 66.9568 173.1643 23 I 3.8484 8.2578 122.0506 61.4692 37.3084 176.3804 24 V 4.3461 8.1206 116.9988 60.9962 33.4126 175.2476 25 E 4.6624 7.3791 119.0895 55.2452 32.9752 174.3338 26 K 4.5852 8.4975 124.4110 55.0423 35.1379 175.5780 27 T 4.9307 8.7401 114.7144 59.8365 72.5599 173.0065 28 V 4.9069 8.2618 121.3351 60.9304 34.0443 175.0839 29 W 4.5624 9.3264 135.0000 57.5628 31.1990 176.0487 30 H 4.4151 6.2810 117.2987 55.5578 28.8868 175.3970 31 F 4.4205 6.6026 119.4173 57.8238 39.2143 174.1624 32 A 3.8019 9.2149 121.0403 53.5628 15.7842 177.7125 33 N 4.1519 8.9676 113.4744 55.4830 38.0858 175.9143 34 G 3.6956 7.9132 104.2974 46.2250 0.0000 172.5134 35 G 4.0676 7.8089 108.1178 47.1626 0.0000 171.6638 36 T 4.8825 7.9538 108.5590 60.0155 72.3449 173.1799 37 W 5.3265 8.8217 123.3019 55.9475 30.8545 175.5342 38 S 4.9396 9.4661 117.1206 56.9202 66.7651 172.3423 39 E 5.2213 8.6719 118.6757 54.6927 32.5611 175.5604 40 A 4.4717 9.3127 127.6395 53.0245 22.5046 176.4237 41 N 4.2831 9.8493 117.1661 53.2455 35.0883 174.3117 42 G 3.8800 8.4799 103.8799 46.4840 0.0000 173.7702 43 A 4.9690 8.0832 121.4837 50.1876 22.6707 175.6744 44 H 5.4076 9.2448 116.6099 54.4193 31.8078 173.2703 45 T 5.0293 9.1663 120.6044 61.6579 71.3112 172.9512 46 L 4.0703 8.5945 129.3164 53.7806 43.4614 175.6837 47 T 5.0537 7.9450 123.0227 61.0473 71.5850 175.7152 *49 G 3.8606 8.1209 109.6606 44.6009 0.0000 172.5697 50 G 4.0567 7.4351 107.3772 45.0469 0.0000 172.7823 51 S 3.8462 8.7157 114.3233 59.5024 62.6640 173.7661 52 G 4.2954 8.9231 115.2896 45.7200 0.0000 173.0584 53 T 4.9008 7.5261 114.0713 61.9330 70.4881 171.5585 54 S 4.8792 8.4758 113.7809 58.9144 66.1163 173.9421 55 G 4.2970 8.2149 105.2428 45.2456 0.0000 171.2431 *57 L 4.2323 8.4840 119.2642 54.5239 43.5352 175.8759 58 R 4.9044 8.3227 124.1456 55.0822 32.3890 175.2135 59 F 5.7878 9.4541 125.5160 54.9662 42.8868 174.2596 *61 S 4.0982 8.4255 113.0158 58.5199 63.9444 175.0916 62 T 3.8039 8.2729 110.2180 63.8134 68.3949 175.1386 63 K 4.2214 7.8044 120.1973 55.9769 32.3395 176.8186 64 G 3.8230 8.1499 107.0945 45.7198 0.0000 173.2220 65 E 4.2967 7.7677 120.2966 55.2148 29.9907 175.7608 66 R 5.1371 8.6066 124.4783 54.6448 33.1638 174.9002 67 I 5.1302 9.0673 123.9537 59.8767 42.0477 174.2138 68 T 5.1970 8.9728 115.9812 59.9566 71.7124 173.0935 69 V 4.8760 8.8639 123.7021 61.1082 33.9292 174.4113 70 A 4.9030 8.8583 129.5865 50.2018 21.7701 175.4586 71 V 4.0888 7.9591 114.0289 59.8167 36.5622 175.5326 72 G 4.0529 6.7266 107.7407 45.9774 0.0000 171.5160 73 V 4.9119 8.0813 118.9196 61.2510 34.7952 174.9390 74 H 4.9451 9.3434 127.4418 55.4115 32.0416 173.1142 75 N 3.6668 9.3200 125.3001 54.6064 35.9602 174.5163 76 Y 3.6088 7.3902 111.1758 58.1016 36.7544 169.9626 77 K 4.6802 7.5876 119.6161 53.9178 35.3217 175.9745 78 R 4.5933 8.1365 118.5761 56.2525 30.9896 175.1491 79 W 5.5448 9.0880 116.9145 54.6517 32.1736 173.1949 80 C 4.9526 8.7383 113.7895 57.8565 32.0485 172.2237 81 D 3.7448 8.3587 117.4706 53.1413 44.8275 174.0576 82 V 4.7962 7.1454 122.2541 60.9931 34.6774 174.5501 83 V 4.5784 8.7736 127.4575 61.3712 33.7841 174.6423 84 T 4.8557 8.5011 117.2131 59.9499 72.5003 174.1594 85 G 3.7973 8.7253 106.5329 46.5519 0.0000 173.7081 86 L 4.4146 7.4789 118.4868 53.7851 42.5208 177.6702 87 K 4.3176 9.2027 122.8048 55.3507 32.8073 176.3531 88 P 4.2605 0.0000 0.0000 65.7511 31.2334 177.3365 89 D 4.6276 7.9644 114.3234 53.9875 40.2247 177.0082 90 E 4.3223 7.7775 122.2444 55.4904 28.0684 175.7733 91 T 4.2752 7.5135 112.9632 60.3582 70.7427 176.5780 92 A 4.0761 9.4307 124.0630 55.1941 17.9222 179.7180 93 L 3.9866 7.8065 118.0542 58.2335 42.1253 179.1608 94 V 3.8065 7.6026 117.6361 65.8818 31.8431 177.7878 95 I 4.1945 7.5320 120.3613 63.4345 36.8180 177.5452 96 N 4.5569 8.6295 118.3604 56.4652 38.8461 175.1512 97 P 3.4915 0.0000 0.0000 64.8137 31.2596 178.1434 98 Q 4.0150 7.9426 116.6761 57.9456 28.4352 177.1268 99 Y 3.8109 7.2871 116.7661 58.0694 37.8964 174.2738 100 Y 4.8690 6.5077 116.4810 56.4806 41.7373 174.0693 101 N 4.2466 9.5753 114.8769 54.9657 36.5178 174.1658 102 N 4.1796 8.5379 109.2001 54.5942 35.9204 175.1891 103 G 3.8001 8.2517 103.9599 45.1153 0.0000 174.0809 104 G 4.0513 8.1982 107.6844 45.5008 0.0000 174.9934 105 R 4.4306 8.0605 116.7420 55.3424 31.4976 176.9253 106 D 4.3917 8.2853 121.8055 56.7794 40.4177 177.9815 107 Y 4.2310 7.9998 117.1095 60.2855 37.9310 178.6879 108 V 3.4061 6.1894 120.7423 63.9766 31.5172 178.2467 109 R 2.5100 7.1211 118.7791 58.8678 29.4541 178.2058 110 E 3.7471 7.5666 116.4560 58.6429 29.4456 179.0244 111 K 4.0497 7.4744 117.6031 56.7961 32.9226 176.6140 112 Q 3.7462 7.7413 116.7681 55.6774 26.3953 174.1896 113 L 4.2009 7.6969 116.9474 54.9250 42.9151 177.9670 114 A 4.5721 8.6599 125.4943 53.1074 20.0591 176.8249 115 E 5.3285 7.9591 111.4006 55.8038 33.8811 179.3870 116 Y 4.7768 9.0851 122.0380 56.4452 42.8327 173.6821 117 S 5.2051 7.7167 119.4989 56.7708 65.8570 173.1520 118 V 4.5437 8.7580 124.6902 60.7373 35.1083 173.1290 119 T 5.1391 8.2930 119.2673 61.6090 70.4573 174.6955 120 S 4.4459 9.4496 120.8321 57.1219 63.8731 175.1696 121 A 3.9561 8.5855 123.9788 54.8439 18.1444 178.4897 122 I 4.1593 7.8153 107.0412 60.8936 37.9058 176.3682 123 G 3.9550 8.4311 109.1664 45.6252 0.0000 173.4650 124 T 4.5137 8.0596 117.7602 62.5155 69.7687 173.8558 125 K 4.7886 8.8858 128.7460 55.5023 34.1957 175.4850 126 V 4.5405 8.9235 126.5907 61.0387 34.8476 173.8755 127 E 5.1952 8.8963 126.6403 54.4568 33.3708 174.7880 128 V 4.7080 8.8140 123.7021 61.0666 34.3627 174.4716 129 V 4.6318 8.5811 127.2362 61.2128 34.5571 173.8761 130 Y 4.6303 9.1182 127.3716 58.4227 37.6215 175.9808 131 T 4.3194 8.9417 114.9677 62.3521 70.7764 174.7993 132 V 4.3813 7.9929 121.5282 61.2247 33.5792 175.4735 133 A 4.5774 9.0011 132.0909 52.3807 19.8425 176.1377 134 E 4.7350 7.8027 111.0225 54.9133 34.0816 182.1145 135 G 3.9206 8.7833 106.0646 45.4237 0.0000 172.4931 136 N 4.5380 8.5473 113.7923 53.2544 40.3124 174.1285 137 N 5.0902 8.0427 117.4629 51.5635 38.6135 173.1895 138 L 4.8534 9.0847 123.3478 53.6073 44.3490 175.3797 139 E 5.2437 9.1678 119.8060 54.9153 34.0685 174.5338 140 A 4.9226 9.0108 124.2611 50.4559 23.3060 174.4400 141 N 5.2842 8.9825 117.7671 51.9049 41.1478 174.3400 142 V 4.5130 8.7769 123.5707 61.2243 33.8354 174.3109 143 I 5.0053 8.5413 129.0245 59.5927 40.4178 174.3950 144 F 5.0322 9.2273 126.9920 55.9391 41.2705 176.3788 145 S 4.5842 9.0130 117.2754 59.1317 63.0279 174.0066 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 G 8.35 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 0.00 0.00 0.00 2 H 8.16 4.74 0.00 3.29 2.60 0.00 5.74 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *4 S 9.30 4.41 0.00 3.91 3.75 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 5 Y 8.56 4.94 0.00 2.84 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 9.23 5.06 0.00 3.71 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 7 I 8.70 4.81 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.88 0.92 0.00 0.00 8 T 8.94 5.08 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 1.26 0.00 0.00 9 L 9.26 5.74 0.00 1.69 1.62 1.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.59 4.94 0.00 1.84 1.72 0.00 3.17 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 11 V 8.40 4.77 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 0.91 0.00 0.00 1.14 0.00 0.00 12 Y 9.38 4.68 0.00 2.91 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 13 Q 8.94 5.20 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 14 T 9.01 4.63 4.30 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 1.31 0.00 0.00 15 N 8.10 4.90 0.00 2.75 2.78 0.00 0.00 7.23 7.65 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 16 R 8.68 4.09 0.00 1.90 2.00 0.00 3.38 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 17 D 8.37 4.46 0.00 2.82 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 18 R 8.08 4.15 0.00 1.99 2.20 0.00 3.54 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 19 G 7.81 3.80 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 0.00 0.00 0.00 20 Y 8.22 4.65 0.00 2.96 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 21 F 8.08 4.81 0.00 2.04 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.39 4.86 0.00 3.85 3.95 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 23 I 8.26 3.85 1.59 0.00 0.00 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 0.23 0.07 0.48 0.00 0.00 24 V 8.12 4.35 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 0.63 0.00 0.00 0.92 0.00 0.00 25 E 7.38 4.66 0.00 1.92 1.63 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 2.19 2.25 0.00 26 K 8.50 4.59 0.00 1.39 0.80 0.00 0.88 0.00 0.00 1.30 0.00 0.00 2.66 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.73 1.10 7.81 27 T 8.74 4.93 4.40 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 1.28 0.00 0.00 28 V 8.26 4.91 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 0.82 0.00 0.00 1.00 0.00 0.00 29 W 9.33 4.56 0.00 3.34 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 30 H 6.28 4.42 0.00 3.02 2.98 0.00 5.58 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 31 F 6.60 4.42 0.00 3.05 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 32 A 9.21 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.97 4.15 0.00 2.85 2.91 0.00 0.00 7.21 7.98 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 34 G 7.91 3.70 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 0.00 0.00 0.00 35 G 7.81 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 36 T 7.95 4.88 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 1.22 0.00 0.00 37 W 8.82 5.33 0.00 3.20 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 38 S 9.47 4.94 0.00 3.86 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 39 E 8.67 5.22 0.00 1.83 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 2.34 0.00 40 A 9.31 4.47 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 41 N 9.85 4.28 0.00 2.87 2.73 0.00 0.00 6.77 7.51 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 42 G 8.48 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 0.00 0.00 0.00 43 A 8.08 4.97 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 44 H 9.24 5.41 0.00 3.19 3.37 0.00 5.57 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 9.17 5.03 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 1.20 0.00 0.00 46 L 8.59 4.07 0.00 0.27 0.88 0.05 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.94 5.05 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 1.18 0.00 0.00 *49 G 8.12 3.86 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 0.00 0.00 0.00 50 G 7.44 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 51 S 8.72 3.85 0.00 3.53 3.43 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 52 G 8.92 4.30 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 0.00 53 T 7.53 4.90 4.41 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 1.27 0.00 0.00 54 S 8.48 4.88 0.00 3.87 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 0.00 55 G 8.21 4.30 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 0.00 *57 L 8.48 4.23 0.00 1.40 0.82 0.61 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.32 4.90 0.00 1.87 1.69 0.00 3.08 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 59 F 9.45 5.79 0.00 3.07 3.12 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 *61 S 8.43 4.10 0.00 2.99 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 62 T 8.27 3.80 4.19 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 1.26 0.00 0.00 63 K 7.80 4.22 0.00 1.65 1.81 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.32 1.33 7.81 64 G 8.15 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 0.00 0.00 0.00 65 E 7.77 4.30 0.00 2.01 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 2.53 2.39 0.00 66 R 8.61 5.14 0.00 1.99 1.87 0.00 3.30 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 67 I 9.07 5.13 2.03 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 1.40 0.84 0.98 0.00 0.00 68 T 8.97 5.20 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 1.28 0.00 0.00 69 V 8.86 4.88 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 0.73 0.00 0.00 0.89 0.00 0.00 70 A 8.86 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.96 4.09 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 0.53 0.00 0.00 0.87 0.00 0.00 72 G 6.73 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 73 V 8.08 4.91 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 0.35 0.00 0.00 0.69 0.00 0.00 74 H 9.34 4.95 0.00 3.06 3.09 0.00 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0.00 0.00 0.00 0.82 0.00 0.00 0.87 0.00 0.00 83 V 8.77 4.58 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 1.01 0.00 0.00 84 T 8.50 4.86 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 1.26 0.00 0.00 85 G 8.73 3.80 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 0.00 0.00 0.00 86 L 7.48 4.41 0.00 1.86 1.65 1.01 0.86 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 87 K 9.20 4.32 0.00 1.89 1.74 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.43 7.81 88 P 0.00 4.26 0.00 2.04 2.14 0.00 3.68 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 2.04 2.10 0.00 89 D 7.96 4.63 0.00 2.79 2.79 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 90 E 7.78 4.32 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 91 T 7.51 4.28 4.61 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 1.23 0.00 0.00 92 A 9.43 4.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 3.99 0.00 1.78 1.76 0.96 1.50 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 94 V 7.60 3.81 2.25 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 0.90 0.00 0.00 1.00 0.00 0.00 95 I 7.53 4.19 1.95 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 1.77 1.30 0.95 0.00 0.00 96 N 8.63 4.56 0.00 3.03 3.01 0.00 0.00 7.23 7.45 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 97 P 0.00 3.49 0.00 2.23 2.27 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 98 Q 7.94 4.02 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 99 Y 7.29 3.81 0.00 2.39 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 0.00 0.00 0.00 100 Y 6.51 4.87 0.00 2.44 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 0.00 101 N 9.58 4.25 0.00 3.00 3.03 0.00 0.00 7.00 8.00 0.00 0.00 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 N 8.54 4.18 0.00 2.87 2.86 0.00 0.00 7.06 7.65 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 0.00 103 G 8.25 3.80 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 0.00 0.00 0.00 104 G 8.20 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 0.00 105 R 8.06 4.43 0.00 0.82 1.14 0.00 2.21 0.00 0.00 2.64 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.16 0.00 106 D 8.29 4.39 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.00 4.23 0.00 3.04 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 0.00 108 V 6.19 3.41 1.25 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 0.64 0.00 0.00 0.88 0.00 0.00 109 R 7.12 2.51 0.00 0.67 1.19 0.00 2.75 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.50 0.00 110 E 7.57 3.75 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 111 K 7.47 4.05 0.00 1.86 1.90 0.00 1.91 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.72 7.81 112 Q 7.74 3.75 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 113 L 7.70 4.20 0.00 1.88 1.91 1.18 0.89 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 0.00 114 A 8.66 4.57 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 0.00 115 E 7.96 5.33 0.00 1.72 1.67 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 2.14 1.87 0.00 116 Y 9.09 4.78 0.00 3.07 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 0.00 117 S 7.72 5.21 0.00 3.75 3.49 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 0.00 118 V 8.76 4.54 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 0.90 0.00 0.00 0.99 0.00 0.00 119 T 8.29 5.14 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 1.23 0.00 0.00 120 S 9.45 4.45 0.00 4.01 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 0.00 121 A 8.59 3.96 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 0.00 122 I 7.82 4.16 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.75 0.94 0.00 0.00 123 G 8.43 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 0.00 124 T 8.06 4.51 4.49 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 1.49 0.00 0.00 125 K 8.89 4.79 0.00 1.84 1.65 0.00 1.55 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.45 7.81 126 V 8.92 4.54 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 0.27 0.00 0.00 0.71 0.00 0.00 127 E 8.90 5.20 0.00 1.78 1.69 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 2.13 2.12 0.00 128 V 8.81 4.71 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 0.84 0.00 0.00 0.81 0.00 0.00 129 V 8.58 4.63 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 1.02 0.00 0.00 0.89 0.00 0.00 130 Y 9.12 4.63 0.00 2.97 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 0.00 131 T 8.94 4.32 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 1.21 0.00 0.00 132 V 7.99 4.38 2.25 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 1.15 0.00 0.00 1.04 0.00 0.00 133 A 9.00 4.58 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 0.00 134 E 7.80 4.73 0.00 1.94 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.84 0.00 135 G 8.78 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 0.00 136 N 8.55 4.54 0.00 2.47 2.62 0.00 0.00 6.27 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 0.00 137 N 8.04 5.09 0.00 2.66 2.70 0.00 0.00 7.03 7.78 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 0.00 138 L 9.08 4.85 0.00 1.92 1.85 1.02 1.18 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 0.00 139 E 9.17 5.24 0.00 1.93 1.81 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 2.26 2.30 0.00 140 A 9.01 4.92 0.42 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 0.00 141 N 8.98 5.28 0.00 2.55 2.70 0.00 0.00 6.66 7.93 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 0.00 142 V 8.78 4.51 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 0.35 0.00 0.00 0.88 0.00 0.00 143 I 8.54 5.01 1.74 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.54 0.87 0.00 0.00 144 F 9.23 5.03 0.00 2.89 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 0.00 145 S 9.01 4.58 0.00 3.86 3.91 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 * Residues marked with a * may have inaccurate shift predictions.