NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0551 8.0549 120.3913 62.1493 31.8872 175.1144 2 L 3.9310 8.3089 127.9763 52.5669 42.3344 176.6522 3 S 4.3393 9.2397 118.6430 58.2442 65.7960 175.4079 4 K 3.9542 8.5013 121.7689 59.5774 31.9191 179.4390 5 R 3.5205 7.7170 118.3732 59.6259 29.8716 178.2064 6 D 4.3603 7.9387 117.8305 57.0654 40.7880 178.5521 7 A 3.9559 8.6147 121.7849 55.1774 18.3535 179.7876 8 I 3.6602 8.2399 118.7395 64.4756 37.2061 178.6875 9 L 3.7846 7.8195 119.6424 57.3857 41.4404 179.2579 10 K 3.7127 8.1669 119.5359 59.6539 32.1161 178.5050 11 A 4.3565 8.2876 121.9097 54.5172 18.1434 179.4824 12 A 3.6397 7.9077 119.1658 55.0222 18.4661 179.7724 13 V 2.4754 7.4381 116.7106 66.0707 31.3634 177.7375 14 E 3.8821 7.8564 117.8549 59.6972 29.3870 179.6914 15 V 3.5297 8.1213 118.1495 66.0789 31.5499 178.1701 16 F 4.6273 8.5214 118.1227 60.7228 38.6118 177.9553 17 G 3.7909 8.2737 104.4117 47.4982 0.0000 175.3407 18 K 4.2011 7.9402 120.6050 58.5133 32.4894 178.1866 19 K 4.4795 8.3057 116.0939 54.7192 33.7738 177.6072 20 G 4.2157 8.1537 104.9193 45.0754 0.0000 173.9227 21 Y 4.3057 8.6873 119.4394 60.8285 38.9280 177.2791 22 D 4.5369 8.2902 117.9408 57.2481 41.2024 177.8428 23 R 4.0973 7.9493 115.9196 57.8902 30.6285 176.9716 24 A 4.2145 7.7088 121.0832 52.1842 19.0835 177.2894 25 T 4.6955 8.5061 112.5790 59.5796 73.0484 175.7422 26 T 3.8082 8.3347 112.7987 64.5640 68.9057 176.4000 27 D 4.2549 8.0163 120.7889 57.3108 41.2883 177.6531 28 E 3.9232 8.2083 119.0951 59.6231 29.4254 179.5824 29 I 3.5589 7.5571 119.2264 64.3187 37.1743 178.4276 30 A 3.9890 8.4567 121.9603 55.0107 17.8877 179.3642 31 E 3.8778 8.2609 118.0071 59.2676 29.5153 178.9550 32 K 3.9857 8.1628 118.8824 59.2554 32.3214 178.2247 33 A 4.2214 8.3038 120.3897 52.3309 18.7053 177.3733 34 G 3.7539 7.8769 103.6153 46.9000 0.0000 173.6196 35 V 4.5149 7.6449 110.3898 58.5136 35.9070 175.6515 36 A 4.1822 8.2732 123.9878 51.7268 19.0026 178.6137 37 K 3.9736 9.0053 123.0133 59.8620 32.1390 179.4198 38 G 3.8014 8.2144 105.2523 47.6232 0.0000 175.2081 39 L 3.9379 8.3114 123.0397 57.8696 41.9831 179.1222 40 I 3.8357 7.5059 120.0773 64.6358 36.8668 178.4911 41 F 5.2799 7.7132 117.7369 60.0555 38.8990 176.7166 42 H 4.1916 8.2425 117.5671 59.4679 29.6576 176.3260 43 Y 4.2408 7.5538 116.7251 58.2166 38.4966 175.9380 44 F 5.0015 8.2061 118.5999 55.1261 42.7057 175.1868 45 K 3.9530 9.2594 127.3300 59.1656 32.1934 175.4888 46 N 5.2397 7.8672 112.8325 51.0318 39.7110 174.1181 47 K 4.1184 9.1351 117.6893 60.1862 32.0831 178.6563 48 E 4.2186 8.5350 119.1372 59.3762 29.6750 178.2176 49 E 4.1991 9.1170 119.6945 58.9274 29.6705 178.4474 50 L 3.6051 8.6256 121.1563 58.0480 42.0660 178.3235 51 Y 3.9012 8.6236 119.7480 60.8202 38.5687 176.9788 52 Y 4.2462 8.1966 119.0808 61.3589 38.9344 178.2163 53 Q 4.0044 8.2636 116.9295 58.6296 29.1154 178.2652 54 A 3.9822 8.0217 122.0340 55.0791 18.3594 179.7719 55 Y 3.7567 7.9830 115.2165 58.5702 38.7619 177.8507 *57 S 4.3558 8.0412 115.1260 57.8648 65.3935 176.1069 58 V 3.5316 7.7805 120.3329 66.0692 31.2274 178.1991 59 T 3.8880 7.8889 109.5213 64.8967 68.4925 176.2227 60 E 3.9531 8.1468 120.8806 58.7317 29.4917 179.0105 61 K 3.8671 7.8396 119.6262 59.5493 32.3685 178.6609 62 L 3.7367 7.8964 119.4164 57.9533 41.5758 179.6778 63 Q 4.1895 8.4941 119.8013 59.2840 28.6487 179.1931 64 K 3.8832 8.0326 125.9656 59.7175 31.5600 182.0248 65 E 4.1594 7.7208 119.4450 59.5171 29.7736 178.3969 66 F 3.3837 8.1537 120.0525 61.2952 39.0955 177.0565 67 E 3.8585 7.8310 117.0972 58.6233 29.2240 178.8501 68 N 4.3413 7.7777 116.8957 55.7987 37.7905 176.5213 69 F 3.9672 8.6174 124.2513 60.7693 39.2743 177.2086 70 L 3.9889 7.4045 116.0427 56.8018 41.5574 178.1119 *72 K 4.1131 8.0527 117.7721 56.3567 34.0296 176.1147 73 N 4.6965 8.1405 115.2749 53.1653 39.4645 176.3847 74 R 3.6542 8.0555 114.3550 60.0308 29.8426 177.1433 75 N 4.7858 8.7775 114.6242 52.2891 37.6799 175.6083 76 R 4.3436 8.3339 117.8103 55.8505 31.8143 177.2234 77 D 4.4813 8.5711 118.0165 54.8878 42.6941 177.1085 78 I 3.6195 8.1908 125.1775 64.1648 38.1129 177.9800 79 F 4.4936 8.1620 117.6271 60.1153 39.0797 176.9643 80 D 4.6429 8.3132 116.5331 57.4054 41.2145 177.8742 81 F 4.1135 8.4706 120.8770 60.1833 40.1024 175.9732 *83 E 4.4085 8.0359 118.6081 56.7304 31.4628 178.0179 84 R 4.0132 8.6095 117.9891 58.9117 30.0627 178.4577 85 W 3.5783 8.5285 128.5799 60.6866 30.5626 178.1300 86 I 2.9902 7.5055 118.7290 63.8179 36.4604 177.9740 87 E 3.8089 7.8267 119.9048 58.9818 29.4070 178.9356 88 K 3.7634 7.7635 118.5118 59.2412 32.1380 178.8558 89 K 3.1034 6.7087 119.8620 59.4107 31.8049 178.5263 90 L 3.7889 7.3875 118.6675 57.9040 41.5578 179.4437 91 E 3.9391 8.1231 118.4381 59.3332 29.3130 178.8396 92 Y 3.9000 8.2827 119.9545 60.8587 38.7283 177.8351 93 S 4.1280 8.0201 112.3644 61.6122 62.4331 175.8087 94 A 4.1027 7.8481 122.7770 54.6972 18.2626 179.0486 95 S 4.3118 7.6828 109.9334 59.0575 65.2218 174.2176 96 H 4.7665 7.6734 120.2339 53.7399 28.4461 172.8568 97 P 4.3334 0.0000 0.0000 65.5518 31.7866 178.5397 98 E 3.9643 8.1312 118.1756 59.3507 29.3553 178.8624 99 E 4.0217 8.1785 117.7514 59.3399 29.6202 178.8125 100 A 4.0647 7.8872 120.5817 55.5522 18.2265 179.1153 101 D 4.3837 8.1334 115.9172 57.7004 41.1630 178.9203 102 F 4.5096 8.4096 120.7643 61.4193 39.5996 176.7692 103 L 3.3880 8.4434 118.9820 58.1213 41.2849 179.7074 104 I 3.8001 7.5251 118.1696 64.4931 37.2725 177.9189 105 T 4.1369 8.1712 110.0201 63.3719 68.3872 176.1051 106 L 3.8762 7.8953 123.8696 58.1105 41.7037 178.7595 107 V 3.5826 7.7952 117.8030 65.9081 31.4219 176.4894 108 S 4.5650 8.0546 111.8108 58.0957 62.9406 173.6246 109 V 3.8902 6.6573 118.5249 60.9168 33.5023 175.1371 110 D 4.1952 7.9112 122.4396 54.3321 42.5368 177.7728 111 E 3.9849 8.8340 126.1952 59.3676 29.5147 179.5762 112 G 3.6173 7.9906 105.1866 47.9057 0.0000 174.9841 113 L 3.8697 7.8382 122.9556 57.8843 41.9840 178.9810 114 R 3.7772 7.9295 118.3308 58.8739 29.8990 178.7729 115 K 3.8646 8.2788 118.8133 59.3097 32.2186 178.8506 116 R 3.8610 8.0679 119.3305 60.0081 30.0182 178.5070 117 I 3.9493 8.0627 119.3296 64.2467 36.9589 178.5085 118 L 3.9983 7.8516 120.0582 57.5271 41.5297 179.2440 119 L 3.9901 8.3189 119.4622 58.2731 41.7782 179.5280 120 D 4.4701 7.8244 117.0228 57.2393 40.4941 178.7749 121 L 4.5044 7.7301 122.1603 57.2481 41.5206 179.5843 122 E 4.1572 8.3852 118.7819 61.1026 29.6377 183.0447 123 K 4.0081 7.8982 119.5451 59.6487 32.2462 179.2814 124 S 4.3150 7.9009 113.8703 60.6677 62.4038 175.0171 125 Q 4.9461 7.7374 119.9767 55.2419 29.1228 177.8087 126 R 4.1223 8.7254 121.5420 60.0796 30.0096 178.6816 127 V 3.7163 7.8883 118.8012 64.8930 31.2366 177.8949 128 F 3.9247 8.0819 121.0638 61.0255 39.1817 176.9711 129 F 4.1327 8.1778 116.8786 59.9341 38.6614 177.7014 130 D 4.3803 8.6222 119.6995 57.0709 40.5563 178.2936 131 F 4.0973 8.3563 121.2141 61.3129 39.4375 177.1387 132 V 3.0175 7.5657 117.9574 65.9984 30.9867 177.8223 133 R 3.8459 7.8567 117.0964 59.4741 30.2360 177.9527 134 E 4.0689 7.6924 117.8628 59.0588 29.5763 179.2424 135 K 3.9239 7.7228 118.6239 59.1389 31.8638 179.3430 136 L 3.9697 7.7447 119.2646 57.4355 41.1970 179.5478 137 K 4.0553 7.6524 117.4606 59.1504 31.9858 178.2015 138 D 4.4297 7.5522 118.1942 56.7850 41.0006 176.8378 139 L 4.3188 7.2373 117.8633 54.5180 42.9696 177.3832 140 D 4.7217 8.5650 121.6919 53.1577 41.1457 175.5631 141 L 4.6380 8.2718 122.9721 53.5914 42.9811 177.1421 142 A 4.1009 8.6891 127.2557 52.3223 19.1319 177.5876 143 E 4.2181 8.4039 115.8896 57.8008 30.0337 178.5229 144 D 4.7632 8.8996 122.5319 53.4757 39.2854 174.9909 145 V 3.7712 7.3717 118.4669 62.0411 30.4816 176.1922 146 T 4.3084 7.9661 118.4080 60.9055 71.3074 175.1225 147 E 4.0080 8.5109 120.3662 59.0421 29.4349 179.2663 148 E 3.8390 8.0204 119.1659 59.4140 29.8729 178.6417 149 I 3.5137 7.5271 119.1067 64.1710 37.0942 178.2287 150 A 4.0117 8.0052 121.4909 55.1688 18.0435 179.5336 151 L 3.9018 7.6168 117.3238 58.2764 42.2906 178.8199 152 K 3.7012 7.6894 117.2431 59.1626 32.0241 178.8777 153 F 4.3228 7.8523 120.7586 61.1295 39.2791 178.4102 154 L 3.6717 7.5608 115.9108 55.0237 41.3392 179.0955 *156 W 5.0538 7.9745 121.0673 57.0044 31.2829 177.6052 157 F 4.3125 8.6607 120.1797 61.5123 38.6666 177.2831 158 F 4.3607 8.2733 117.5244 60.6295 38.6845 177.8758 159 S 4.5830 7.8239 116.0046 60.9563 62.7075 176.8789 160 G 3.6117 8.1915 108.4087 47.7814 0.0000 175.1177 161 F 4.2539 8.2559 123.7914 61.3811 38.8001 176.7404 162 E 3.8070 8.4901 118.0781 59.7461 29.3727 179.3745 163 E 4.0003 8.2706 118.8996 59.3005 29.6309 179.0359 164 V 3.6743 8.1348 118.3943 65.7587 31.6078 177.1096 165 Y 4.2281 8.7114 119.9188 60.9162 38.5481 178.2333 166 L 4.0331 8.3162 119.5377 57.9397 41.6077 179.3470 167 R 3.8376 7.7122 116.9506 59.9402 30.0157 178.3685 168 T 3.6858 7.7549 114.0959 66.2616 68.7254 175.6169 169 Y 4.7172 7.4802 116.6262 56.8275 38.7689 174.6212 170 Q 4.0400 7.6702 121.1473 57.6139 28.8796 176.5571 171 G 3.9491 9.3636 113.1684 46.1536 0.0000 173.7228 172 K 5.2407 8.7692 116.6982 52.4030 33.0449 175.6814 173 P 4.2855 0.0000 0.0000 65.5458 31.5615 178.5011 174 E 3.9390 8.1184 117.5060 59.1848 29.6191 178.7284 175 L 4.0220 7.7716 120.8559 57.5330 42.1036 178.1878 176 L 3.2133 7.8671 119.3823 58.2007 42.0878 178.9519 177 K 4.1182 8.0828 119.3828 60.0722 32.0150 179.9745 178 R 4.0952 7.7536 119.7487 60.4984 30.8652 180.4406 179 D 4.8122 7.7359 121.0495 53.1020 37.5367 176.5093 *181 N 4.6513 7.6166 121.1955 53.6917 41.4267 177.5070 182 T 3.8991 7.9569 114.0694 66.8322 68.4948 176.2092 183 L 4.0250 8.0649 121.9926 57.9614 42.3100 179.0835 184 V 3.5835 7.7268 117.7383 66.1012 31.6929 177.3271 185 E 3.9855 8.3102 118.9941 59.4744 29.1697 178.6805 186 E 4.0182 8.0293 117.7911 59.2672 29.5651 179.2164 187 V 3.8675 7.6188 117.3133 65.8393 31.9572 177.8050 188 K 4.1935 7.9498 117.8826 59.5398 31.9822 181.0026 189 V 3.5117 7.4844 115.7478 63.4022 31.3807 177.4653 *191 L 4.4387 7.9804 118.7178 54.2646 43.8857 179.5056 192 R 3.9194 8.0120 118.0337 59.0843 29.7708 178.9324 193 I 3.6371 7.8065 119.6515 64.2769 36.8698 178.4984 194 L 3.8849 7.5949 117.9807 57.6091 41.6572 178.8034 195 K 2.6390 6.9859 118.0354 59.0331 32.0452 178.3702 196 K 4.1748 7.6204 118.6657 59.1876 32.1544 178.9463 197 G 3.7327 7.8842 102.9416 44.7177 0.0000 173.1629 *199 T 4.3295 7.1853 109.8244 60.8626 69.9314 173.8632 200 K 4.1371 8.6910 120.9172 57.1840 32.8363 176.6385 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 V 8.05 4.06 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 0.99 0.00 0.00 0.92 0.00 0.00 2 L 8.31 3.93 0.00 1.74 1.57 0.89 0.64 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 3 S 9.24 4.34 0.00 4.01 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 4 K 8.50 3.95 0.00 1.92 2.01 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.54 7.81 5 R 7.72 3.52 0.00 1.01 1.64 0.00 3.23 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.09 0.00 6 D 7.94 4.36 0.00 2.71 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 7 A 8.61 3.96 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 8 I 8.24 3.66 2.23 0.00 0.00 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 1.59 1.04 1.02 0.00 0.00 9 L 7.82 3.78 0.00 1.78 1.57 0.95 0.31 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 10 K 8.17 3.71 0.00 1.85 1.92 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.41 7.81 11 A 8.29 4.36 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 12 A 7.91 3.64 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 13 V 7.44 2.48 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 0.85 0.00 0.00 0.43 0.00 0.00 14 E 7.86 3.88 0.00 2.18 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 2.43 2.36 0.00 15 V 8.12 3.53 1.80 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 0.83 0.00 0.00 0.82 0.00 0.00 16 F 8.52 4.63 0.00 3.52 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.27 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 18 K 7.94 4.20 0.00 2.23 1.98 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.34 7.81 19 K 8.31 4.48 0.00 1.80 1.85 0.00 2.09 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.55 7.81 20 G 8.15 4.22 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 0.00 21 Y 8.69 4.31 0.00 2.72 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.29 4.54 0.00 2.76 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 23 R 7.95 4.10 0.00 2.29 2.00 0.00 3.33 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.19 0.00 24 A 7.71 4.21 1.12 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 25 T 8.51 4.70 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 1.26 0.00 0.00 26 T 8.33 3.81 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 1.07 0.00 0.00 27 D 8.02 4.25 0.00 2.83 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 28 E 8.21 3.92 0.00 2.15 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 2.29 2.32 0.00 29 I 7.56 3.56 1.83 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.58 0.77 0.00 0.00 30 A 8.46 3.99 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 31 E 8.26 3.88 0.00 2.16 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 2.29 2.30 0.00 32 K 8.16 3.99 0.00 1.82 1.91 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.47 7.81 33 A 8.30 4.22 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 7.88 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 0.00 0.00 0.00 35 V 7.64 4.51 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 0.76 0.00 0.00 0.97 0.00 0.00 36 A 8.27 4.18 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 37 K 9.01 3.97 0.00 1.88 1.94 0.00 1.86 0.00 0.00 2.03 0.00 0.00 3.06 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.77 1.59 7.81 38 G 8.21 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.63 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 117 I 8.06 3.95 1.67 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 1.51 1.13 0.25 0.00 0.00 118 L 7.85 4.00 0.00 1.85 1.70 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.32 3.99 0.00 1.82 1.75 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 120 D 7.82 4.47 0.00 2.93 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 0.00 121 L 7.73 4.50 0.00 1.81 1.76 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.39 4.16 0.00 1.97 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 2.25 2.23 0.00 123 K 7.90 4.01 0.00 2.05 1.96 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.72 7.81 124 S 7.90 4.31 0.00 4.10 4.36 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 0.00 125 Q 7.74 4.95 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 126 R 8.73 4.12 0.00 1.94 2.10 0.00 3.35 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.84 0.00 127 V 7.89 3.72 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 1.02 0.00 0.00 1.14 0.00 0.00 128 F 8.08 3.92 0.00 2.22 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 0.00 129 F 8.18 4.13 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 0.00 130 D 8.62 4.38 0.00 2.88 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 0.00 131 F 8.36 4.10 0.00 3.11 3.13 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 0.00 132 V 7.57 3.02 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 0.83 0.00 0.00 0.23 0.00 0.00 133 R 7.86 3.85 0.00 1.95 2.10 0.00 3.30 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 134 E 7.69 4.07 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 135 K 7.72 3.92 0.00 1.14 1.43 0.00 1.57 0.00 0.00 1.28 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.35 0.21 7.81 136 L 7.74 3.97 0.00 1.75 1.66 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.65 4.06 0.00 1.86 1.83 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.42 7.81 138 D 7.55 4.43 0.00 2.75 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 0.00 139 L 7.24 4.32 0.00 1.64 1.64 1.03 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.56 4.72 0.00 2.68 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 0.00 141 L 8.27 4.64 0.00 1.53 1.67 0.97 0.92 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 0.00 142 A 8.69 4.10 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 0.00 143 E 8.40 4.22 0.00 2.00 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 0.00 2.23 1.92 0.00 144 D 8.90 4.76 0.00 2.79 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 0.00 145 V 7.37 3.77 2.19 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 0.77 0.00 0.00 0.89 0.00 0.00 146 T 7.97 4.31 4.21 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 1.19 0.00 0.00 147 E 8.51 4.01 0.00 2.01 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 2.37 2.34 0.00 148 E 8.02 3.84 0.00 2.00 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 2.33 2.35 0.00 149 I 7.53 3.51 1.93 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 1.35 0.32 0.75 0.00 0.00 150 A 8.01 4.01 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 0.00 151 L 7.62 3.90 0.00 1.76 1.80 1.10 0.75 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 0.00 152 K 7.69 3.70 0.00 1.37 0.74 0.00 1.63 0.00 0.00 1.57 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.42 7.81 153 F 7.85 4.32 0.00 2.93 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 0.00 154 L 7.56 3.67 0.00 1.91 1.46 0.93 0.89 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 *156 W 7.97 5.05 0.00 3.55 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 0.00 157 F 8.66 4.31 0.00 2.84 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 0.00 158 F 8.27 4.36 0.00 3.27 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 0.00 159 S 7.82 4.58 0.00 4.13 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 0.00 160 G 8.19 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 0.00 161 F 8.26 4.25 0.00 2.56 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 0.00 162 E 8.49 3.81 0.00 2.23 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 2.06 2.10 0.00 163 E 8.27 4.00 0.00 2.17 2.18 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 2.34 2.34 0.00 164 V 8.13 3.67 2.22 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 1.05 0.00 0.00 1.02 0.00 0.00 165 Y 8.71 4.23 0.00 3.34 3.27 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 0.00 166 L 8.32 4.03 0.00 1.93 1.76 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 167 R 7.71 3.84 0.00 1.80 2.08 0.00 3.23 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 168 T 7.75 3.69 3.10 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 0.26 0.00 0.00 169 Y 7.48 4.72 0.00 2.59 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 0.00 170 Q 7.67 4.04 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.31 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 171 G 9.36 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 0.00 0.00 0.00 172 K 8.77 5.24 0.00 1.88 1.81 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 173 P 0.00 4.29 0.00 2.24 2.30 0.00 3.71 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 0.00 174 E 8.12 3.94 0.00 2.19 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 0.00 2.38 2.31 0.00 175 L 7.77 4.02 0.00 1.85 2.01 0.98 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 176 L 7.87 3.21 0.00 1.51 1.76 0.32 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 177 K 8.08 4.12 0.00 1.84 1.83 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.40 7.81 178 R 7.75 4.10 0.00 1.94 1.85 0.00 3.25 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 179 D 7.74 4.81 0.00 3.01 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *181 N 7.62 4.65 0.00 2.78 2.91 0.00 0.00 6.97 7.05 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 0.00 182 T 7.96 3.90 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 183 L 8.06 4.02 0.00 2.04 1.70 1.17 0.70 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 0.00 184 V 7.73 3.58 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 1.03 0.00 0.00 0.93 0.00 0.00 185 E 8.31 3.99 0.00 2.15 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 0.00 2.33 2.43 0.00 186 E 8.03 4.02 0.00 2.26 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 2.36 2.43 0.00 187 V 7.62 3.87 2.32 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 0.98 0.00 0.00 1.24 0.00 0.00 188 K 7.95 4.19 0.00 2.07 1.90 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.60 1.57 7.81 189 V 7.48 3.51 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 1.04 0.00 0.00 1.04 0.00 0.00 *191 L 7.98 4.44 0.00 2.13 1.98 1.35 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 192 R 8.01 3.92 0.00 2.06 1.96 0.00 3.16 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 193 I 7.81 3.64 1.79 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 1.49 0.83 0.86 0.00 0.00 194 L 7.59 3.88 0.00 1.72 1.75 0.76 0.62 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 0.00 195 K 6.99 2.64 0.00 1.11 1.66 0.00 2.00 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.23 7.81 196 K 7.62 4.17 0.00 1.74 1.81 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.41 7.81 197 G 7.88 3.73 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 0.00 0.00 0.00 *199 T 7.19 4.33 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 1.34 0.00 0.00 200 K 8.69 4.14 0.00 1.86 1.82 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.