NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 Q 4.2489 8.2033 120.9630 55.3580 30.5927 174.1826 13 F 5.0727 7.9403 118.1111 56.3305 41.1640 174.2423 14 L 4.4776 8.5026 122.3420 54.7073 43.0709 176.1345 15 R 5.2789 8.7372 119.3555 54.0319 33.3781 174.9393 16 T 4.0472 8.6236 110.9059 63.5455 68.9981 174.5562 17 D 4.7763 9.3762 123.0251 54.4101 40.1583 174.6711 18 D 4.5078 7.6099 120.4509 54.4575 42.0398 175.3783 19 E 4.7135 8.8092 123.0438 56.0619 30.9770 176.0710 20 V 5.0791 9.4433 117.4279 59.6151 36.6585 174.7974 21 V 5.0005 8.6240 114.7676 59.7105 35.1248 174.8042 22 L 5.1785 8.4888 124.2322 53.4410 43.7229 175.2889 23 Q 5.3610 9.5849 123.5382 54.1548 32.0141 174.5328 24 C 4.6565 8.8723 117.4820 56.5068 33.2727 172.6586 25 T 4.7036 7.9439 116.1947 62.0064 69.5615 173.8806 26 A 4.2063 8.8839 128.9021 50.0473 21.6869 175.2950 27 T 4.7780 8.2322 117.6321 62.2340 70.8066 173.4916 28 I 4.1266 8.9653 129.7815 62.7856 39.7743 176.9069 *31 E 4.1904 7.8561 117.3762 56.3417 31.3921 176.8795 32 Q 5.1869 8.7284 125.7645 53.4821 31.6787 174.3678 33 Q 4.6062 8.8915 122.2335 54.7551 32.8919 173.3489 34 K 4.8594 8.4549 119.3321 55.0807 34.4699 175.4974 35 L 5.3608 8.7477 123.8426 53.0262 45.7620 173.1036 36 C 5.3655 9.0887 117.3936 53.5186 39.8844 172.7511 37 L 4.4661 8.8219 123.7768 55.3867 42.7992 175.6767 38 A 5.0285 8.6909 126.8654 50.4845 23.0124 174.0640 39 A 4.6540 7.8168 118.1889 51.4271 22.5420 175.9062 40 E 4.8082 8.8408 118.1371 54.2754 32.9021 177.1577 41 G 3.6183 8.7851 112.5967 48.8267 0.0000 175.0003 *42 F 4.3784 7.8762 117.3017 56.6419 39.6114 180.4093 43 G 3.9144 8.4073 106.1821 46.8763 0.0000 173.9206 44 N 4.4983 8.7739 118.3263 52.9991 38.0394 175.9644 45 R 4.1396 8.1278 117.0117 56.8190 27.9102 175.6460 46 L 4.6264 7.9820 118.5655 54.6419 42.1910 176.8583 47 C 4.7066 8.8437 121.5996 60.2123 29.0662 173.0849 48 F 5.1166 8.2912 115.6915 55.8281 41.4368 172.6076 49 L 5.2929 8.9598 116.9909 53.2787 45.1213 175.7782 50 E 4.8407 8.9751 124.1479 54.1422 32.0149 175.3979 51 S 4.6653 9.0006 123.1908 59.2217 63.6082 173.6288 52 T 4.9026 8.2086 113.6041 59.4147 71.7046 174.2999 53 S 4.3435 8.5940 116.9916 58.2275 63.7143 175.3982 54 N 4.2861 8.8103 122.4399 57.2182 38.1549 177.3445 55 S 4.2193 7.7784 116.4429 60.3607 62.8643 177.9366 56 K 4.3308 7.7683 122.6381 53.9223 32.5096 178.6922 57 N 4.4142 7.8326 112.6780 54.9336 36.4981 174.1828 58 V 3.9983 7.4657 117.9486 61.1572 32.4297 173.4590 59 P 4.6821 0.0000 0.0000 61.7550 32.1002 174.4451 60 P 4.2147 0.0000 0.0000 64.8987 31.3596 175.4775 61 D 4.7677 8.5255 117.8077 52.1534 41.9673 175.0363 62 L 4.1624 8.4503 129.9867 57.7329 42.9592 178.9438 63 S 4.0773 8.3363 113.2983 61.2782 63.1221 176.4852 64 I 3.8267 7.3847 114.8828 63.1559 37.4318 176.4214 65 C 5.0414 7.9001 116.3606 56.3216 34.5242 172.8458 66 T 4.7499 7.5402 118.5471 62.1545 69.6606 173.8810 67 F 5.1554 9.0422 124.7571 55.5408 43.4411 174.1171 68 V 4.7646 9.1195 122.0778 61.1195 34.3051 175.0246 69 L 4.5970 8.3698 127.4943 54.6913 41.3675 177.4009 70 E 4.1181 9.2427 125.9670 58.8030 30.1157 176.5896 71 Q 4.8367 7.9517 116.8786 54.2230 33.0933 174.7847 72 S 4.7648 8.6708 115.2159 57.2661 64.0705 172.6810 73 L 5.0006 9.0764 127.1192 52.2751 45.1450 176.7695 74 S 3.9871 8.1905 115.4737 57.7581 64.1621 175.3342 75 V 3.4455 8.4519 121.4906 66.2973 31.1572 178.0526 76 R 3.7983 8.0208 117.4953 59.7195 29.8502 178.0897 77 A 3.9255 7.7887 119.9273 54.8324 18.2906 179.4788 78 L 3.5686 7.6581 118.9571 58.4170 42.1666 179.2938 79 Q 3.9564 8.1959 118.1949 58.5514 28.5339 178.3397 80 E 3.8978 8.2759 120.7524 59.3879 29.4684 178.6941 81 M 4.0853 7.8048 117.5634 58.4355 32.3599 178.5205 82 L 4.0787 8.0500 118.7591 57.7716 41.6588 179.2130 83 A 3.9661 8.0656 120.7196 55.5315 18.0340 179.4900 84 N 4.3209 8.0426 113.9499 56.2434 38.6502 177.1181 85 T 4.1617 7.5775 109.7748 63.2484 69.2814 174.8969 86 V 3.6866 7.2615 126.1830 63.0716 32.6647 176.3507 *98 W 4.4691 8.2289 123.6512 57.1009 30.2972 176.1330 *110 H 4.7105 8.2937 119.8374 55.9448 28.2284 172.3723 111 R 4.2687 8.7685 125.0103 56.0634 30.8820 175.8417 112 T 4.4137 8.3977 120.2642 62.9063 69.4159 174.2233 113 L 4.2267 9.2699 126.6590 54.7248 43.0644 176.0776 114 L 5.1409 8.1028 121.8818 52.6129 45.8341 175.7038 115 Y 4.3366 8.7029 120.8996 59.6527 38.2911 177.2813 116 G 4.1249 9.3541 113.6769 45.6009 0.0000 173.6914 117 H 4.6814 8.1893 116.3107 55.6930 30.3194 174.2564 118 A 5.4751 9.6138 123.9096 50.7229 20.9978 176.3362 119 I 5.5087 9.0463 114.4201 58.0203 41.6045 173.8719 120 L 4.3220 8.2450 124.7113 53.2322 44.7219 174.9720 121 L 5.0906 8.4647 125.5042 52.9614 43.9527 175.1746 122 R 4.1810 8.9191 125.8047 55.8216 31.7797 174.8600 123 H 4.2404 9.2276 127.2776 55.1455 30.0388 175.9901 124 S 3.9699 8.2334 124.2685 62.1065 63.1172 176.1195 *125 Y 4.0015 7.5055 118.5814 58.6533 36.6611 178.8074 126 S 4.4747 7.7926 112.3139 57.4942 64.4206 175.3510 127 G 3.7101 8.3679 108.6162 45.6890 0.0000 172.8817 128 M 4.4501 7.1482 118.5770 54.0600 35.1197 174.1880 129 Y 5.2285 8.3561 116.2266 55.8714 41.7743 175.5383 130 L 4.3872 8.9140 125.8293 55.8237 43.3786 175.3460 131 C 5.1369 9.2136 126.2840 57.8150 35.3455 172.1923 132 C 4.8125 8.8294 127.2584 59.1857 31.4235 172.9271 133 L 4.5720 8.5728 126.9420 53.3477 42.8956 176.8873 134 S 3.6081 8.3371 115.1421 58.1838 63.3084 173.6400 135 T 4.5758 7.3357 111.6139 60.0699 70.5333 174.7300 136 S 5.8948 8.5399 123.3929 58.3487 64.5135 174.0271 *143 L 4.2753 8.4213 119.1866 54.1491 42.8432 172.5625 144 A 4.6802 7.3785 120.4637 49.7997 22.0956 175.3127 145 F 5.6015 8.3959 118.4524 55.8382 42.3849 175.2809 146 D 4.9778 9.0950 120.8483 54.3446 42.4184 175.5231 147 V 5.0047 8.4138 120.8373 61.4166 34.4777 174.7302 148 G 4.4191 8.9133 113.5277 45.5503 0.0000 171.3972 149 L 5.7743 8.4466 119.7211 53.4079 43.2058 176.8006 150 Q 4.5197 8.5240 121.4984 54.7474 32.4000 174.8670 151 E 4.0041 9.3920 126.3765 59.3141 29.7725 177.1043 152 D 4.9532 7.8737 116.5753 52.2748 41.2798 176.1571 153 T 4.3600 8.3339 109.1095 61.6653 69.5108 175.3385 154 T 3.6129 7.5866 113.6611 60.8079 67.2390 174.0568 155 G 4.3126 7.7677 116.3383 44.1200 0.0000 170.4600 156 E 4.3611 8.2682 118.0839 57.3359 30.3682 178.8683 157 A 4.3612 8.0006 121.5901 54.8054 18.4075 178.5192 158 C 4.8293 7.9384 109.1470 59.4900 28.6470 173.0486 159 W 5.0066 8.1381 121.5282 54.7342 31.3679 175.1682 160 W 5.4070 8.8601 123.5125 55.1640 32.4397 174.5036 161 T 4.9388 9.4834 115.9999 60.9257 70.6398 173.5227 162 I 4.8557 8.6732 125.2341 60.4714 39.5814 174.0433 163 H 5.5828 9.7022 126.7722 53.1473 32.3245 171.7798 164 P 4.5994 0.0000 0.0000 62.6540 31.6263 176.1485 165 A 4.3139 8.2817 122.9742 54.6292 18.6807 177.5414 166 S 4.6945 7.8665 110.0736 56.4885 66.1531 175.3143 167 K 4.0769 8.6448 123.1153 57.2605 31.4030 175.9771 168 Q 4.5927 7.7081 114.9799 55.5551 27.9751 181.1443 169 R 4.8870 7.4166 116.3193 55.3748 33.7110 175.0625 170 S 4.7603 8.6898 115.7134 55.9352 66.3748 173.4682 171 E 4.2317 8.6970 122.5568 58.4067 29.4361 177.6318 172 G 4.0276 9.2724 114.9023 45.2790 0.0000 173.5389 173 E 4.2566 7.9897 119.9632 55.8807 30.6943 176.7666 174 K 4.2634 8.6038 122.7391 56.8887 33.1334 176.4337 175 V 3.7960 8.6918 125.0880 62.0659 32.7812 175.0689 176 R 5.0852 8.6919 127.0514 54.3873 32.4173 176.3897 177 V 3.7127 8.5664 122.9521 64.6242 31.8576 176.4387 178 G 3.9302 8.9657 114.3153 45.9368 0.0000 172.7662 179 D 4.6692 7.8054 118.9491 53.5641 41.9720 175.6757 180 D 4.9752 8.6229 122.7287 53.5996 42.3917 175.4241 181 L 5.2256 9.3141 124.2393 53.3430 44.8204 175.4661 182 I 4.9209 9.0744 123.1732 59.9421 39.4275 174.5441 183 L 5.3877 8.9228 126.6142 53.0735 44.2945 175.3473 184 V 4.9231 8.8870 124.0638 60.8580 34.6351 174.4918 185 S 3.6632 9.1236 123.5072 57.9989 62.5901 174.8261 186 V 3.6127 8.3404 128.7741 66.1739 31.4840 177.5846 187 S 4.2583 8.0851 115.1297 60.1935 63.2875 175.4424 188 S 4.5512 7.5997 112.5999 56.9217 64.4127 174.6640 189 E 3.7736 8.2465 118.6737 56.9299 27.5239 174.2440 190 R 4.3571 7.2808 118.3092 55.3833 32.4235 175.0665 191 Y 5.1472 8.7833 118.6651 57.0240 39.8831 175.1350 192 L 4.6233 9.1443 126.0034 55.7795 42.5610 175.6539 193 H 5.2585 10.0360 126.9685 54.2404 33.5644 171.8605 194 L 4.7847 8.8423 128.2322 54.7634 42.5903 175.7635 195 S 5.0521 9.6925 121.0222 56.6456 66.1693 171.5777 196 Y 4.8623 8.8103 124.9206 55.1221 40.3812 175.1116 197 G 3.9947 7.9999 118.0893 45.6398 0.0000 174.1626 198 N 4.1855 8.5431 118.4097 55.1208 37.5401 173.6906 199 S 4.4311 7.3296 109.5521 57.1397 65.3373 173.7390 200 S 4.4761 7.1134 116.8339 56.2712 65.4981 172.5729 201 W 5.1240 8.2023 121.3993 56.6484 30.2010 175.5717 202 H 5.3587 9.9032 119.9786 54.1576 33.3352 172.4369 203 V 5.2274 8.4976 118.8124 60.4126 34.0135 174.4146 204 D 4.7882 9.3589 122.0918 52.8497 43.6088 173.4611 205 A 5.3360 9.4084 120.7900 50.6882 20.6551 175.3628 206 A 4.9802 8.9565 122.9681 50.8571 23.0810 176.1689 207 F 5.0588 8.7696 114.8289 58.2238 39.3104 175.9634 208 Q 4.6909 7.7061 119.8530 53.5889 30.9048 175.5935 209 Q 3.8127 7.9243 120.5031 56.4173 29.3856 176.1360 210 T 4.5470 8.0715 115.6468 61.7876 72.4749 173.4355 211 L 4.5755 8.1000 125.1321 53.8141 42.9262 175.9671 212 W 4.8185 9.3561 124.4064 54.9869 32.0056 175.0712 213 S 4.8816 9.3104 121.7860 57.5223 63.9021 173.2825 214 V 4.8470 8.5406 125.3065 61.2533 32.7370 174.5609 215 A 4.8493 8.6271 129.8300 49.3337 21.9532 173.4367 216 P 4.8073 0.0000 0.0000 62.2485 32.4537 177.4428 217 I 3.6001 8.0920 120.7986 60.1408 37.7909 172.3215 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 12 Q 8.20 4.25 0.00 1.76 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.26 1.97 0.00 13 F 7.94 5.07 0.00 3.02 3.02 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 14 L 8.50 4.48 0.00 1.63 1.59 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.74 5.28 0.00 1.84 2.03 0.00 2.87 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 16 T 8.62 4.05 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 17 D 9.38 4.78 0.00 2.85 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 18 D 7.61 4.51 0.00 2.81 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 19 E 8.81 4.71 0.00 1.92 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 2.36 2.32 0.00 20 V 9.44 5.08 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 0.86 0.00 0.00 1.01 0.00 0.00 21 V 8.62 5.00 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 0.89 0.00 0.00 0.96 0.00 0.00 22 L 8.49 5.18 0.00 1.47 1.63 0.67 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 9.58 5.36 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 24 C 8.87 4.66 0.00 2.04 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 25 T 7.94 4.70 4.03 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 0.00 0.00 1.06 0.00 0.00 26 A 8.88 4.21 -0.37 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 27 T 8.23 4.78 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 1.18 0.00 0.00 28 I 8.97 4.13 1.98 0.00 0.00 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 1.40 0.90 0.90 0.00 0.00 *31 E 7.86 4.19 0.00 1.68 1.89 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 2.21 1.89 0.00 32 Q 8.73 5.19 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 33 Q 8.89 4.61 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 34 K 8.45 4.86 0.00 1.64 1.80 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.53 7.81 35 L 8.75 5.36 0.00 1.46 1.60 0.38 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 36 C 9.09 5.37 0.00 3.01 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.82 4.47 0.00 1.63 1.43 0.68 -0.13 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 38 A 8.69 5.03 0.49 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 0.00 0.00 39 A 7.82 4.65 1.01 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 0.00 0.00 0.00 0.00 0.00 40 E 8.84 4.81 0.00 2.01 1.89 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 2.45 2.47 0.00 41 G 8.79 3.62 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 0.00 *42 F 7.88 4.38 0.00 2.31 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 0.00 0.00 0.00 0.00 43 G 8.41 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 0.00 0.00 0.00 44 N 8.77 4.50 0.00 2.85 2.96 0.00 0.00 5.92 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.13 4.14 0.00 2.08 2.12 0.00 3.31 0.00 0.00 3.48 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.61 0.00 46 L 7.98 4.63 0.00 1.77 1.70 0.97 0.97 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 47 C 8.84 4.71 0.00 2.97 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 48 F 8.29 5.12 0.00 3.19 3.18 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 49 L 8.96 5.29 0.00 1.69 1.69 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.98 4.84 0.00 2.16 1.83 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 2.26 2.36 0.00 51 S 9.00 4.67 0.00 3.85 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 52 T 8.21 4.90 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 53 S 8.59 4.34 0.00 4.02 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 54 N 8.81 4.29 0.00 2.73 2.91 0.00 0.00 6.86 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.78 4.22 0.00 3.63 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 56 K 7.77 4.33 0.00 1.76 1.74 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.01 7.81 57 N 7.83 4.41 0.00 2.91 3.07 0.00 0.00 6.89 7.06 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 58 V 7.47 4.00 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.98 0.00 0.00 76 R 8.02 3.80 0.00 1.88 1.88 0.00 3.21 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 1.67 1.69 0.00 77 A 7.79 3.93 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 L 7.66 3.57 0.00 1.27 1.56 -0.52 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.20 3.96 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 80 E 8.28 3.90 0.00 2.12 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 2.32 0.00 81 M 7.80 4.09 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 82 L 8.05 4.08 0.00 1.64 1.62 0.79 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.07 3.97 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 84 N 8.04 4.32 0.00 2.98 2.93 0.00 0.00 7.09 7.68 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 85 T 7.58 4.16 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 1.35 0.00 0.00 86 V 7.26 3.69 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 0.69 0.00 0.00 0.94 0.00 0.00 *98 W 8.23 4.47 0.00 2.30 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 0.00 0.00 0.00 *110 H 8.29 4.71 0.00 2.72 2.97 0.00 7.17 0.00 0.00 0.00 0.00 6.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.77 4.27 0.00 1.51 1.83 0.00 3.24 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 112 T 8.40 4.41 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 1.06 0.00 0.00 113 L 9.27 4.23 0.00 1.72 1.47 0.93 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 114 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0.00 2.87 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.83 0.00 123 H 9.23 4.24 0.00 2.91 3.03 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.23 3.97 0.00 3.93 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 *125 Y 7.51 4.00 0.00 2.35 2.26 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 0.00 126 S 7.79 4.47 0.00 3.94 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 0.00 127 G 8.37 3.71 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 0.00 0.00 0.00 128 M 7.15 4.45 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 129 Y 8.36 5.23 0.00 2.91 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 0.00 130 L 8.91 4.39 0.00 1.67 1.52 0.68 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 131 C 9.21 5.14 0.00 3.30 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 0.00 132 C 8.83 4.81 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.57 4.57 0.00 1.67 1.54 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.34 3.61 0.00 3.69 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 0.00 135 T 7.34 4.58 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 1.19 0.00 0.00 136 S 8.54 5.89 0.00 3.97 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 *143 L 8.42 4.28 0.00 1.69 1.62 0.92 0.64 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 0.00 144 A 7.38 4.68 1.16 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 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0.00 0.00 0.00 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 0.00 162 I 8.67 4.86 1.96 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.25 1.04 0.00 0.00 163 H 9.70 5.58 0.00 3.37 3.29 0.00 5.86 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 P 0.00 4.60 0.00 1.98 1.13 0.00 3.81 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.67 0.00 165 A 8.28 4.31 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 S 7.87 4.69 0.00 3.94 3.94 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 0.00 167 K 8.64 4.08 0.00 1.80 1.76 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.00 7.81 168 Q 7.71 4.59 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.63 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 169 R 7.42 4.89 0.00 1.23 1.15 0.00 3.34 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.40 0.00 170 S 8.69 4.76 0.00 3.84 3.71 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 0.00 171 E 8.70 4.23 0.00 1.93 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 2.33 2.45 0.00 172 G 9.27 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 173 E 7.99 4.26 0.00 2.45 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 174 K 8.60 4.26 0.00 1.44 1.44 0.00 1.37 0.00 0.00 1.44 0.00 0.00 2.78 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.44 1.14 7.81 175 V 8.69 3.80 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 0.74 0.00 0.00 0.08 0.00 0.00 176 R 8.69 5.09 0.00 2.15 1.81 0.00 3.32 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.91 0.00 177 V 8.57 3.71 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 0.72 0.00 0.00 0.96 0.00 0.00 178 G 8.97 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 0.00 179 D 7.81 4.67 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 D 8.62 4.98 0.00 2.62 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 0.00 181 L 9.31 5.23 0.00 1.72 1.75 0.96 0.96 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 0.00 182 I 9.07 4.92 2.08 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 1.30 0.70 1.20 0.00 0.00 183 L 8.92 5.39 0.00 1.55 1.61 0.96 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 184 V 8.89 4.92 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 0.64 0.00 0.00 0.90 0.00 0.00 185 S 9.12 3.66 0.00 3.40 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 0.00 186 V 8.34 3.61 2.30 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 0.76 0.00 0.00 1.02 0.00 0.00 187 S 8.09 4.26 0.00 3.96 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 0.00 188 S 7.60 4.55 0.00 4.25 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 E 8.25 3.77 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 190 R 7.28 4.36 0.00 1.67 1.78 0.00 2.40 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 191 Y 8.78 5.15 0.00 3.20 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 0.00 192 L 9.14 4.62 0.00 1.31 1.48 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 193 H 10.04 5.26 0.00 3.62 3.55 0.00 5.82 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 L 8.84 4.78 0.00 1.45 1.41 1.04 0.40 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 0.00 195 S 9.69 5.05 0.00 4.02 3.81 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 0.00 196 Y 8.81 4.86 0.00 2.79 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 0.00 197 G 8.00 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 0.00 198 N 8.54 4.19 0.00 2.75 2.72 0.00 0.00 6.25 7.64 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 0.00 199 S 7.33 4.43 0.00 3.82 3.83 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 0.00 200 S 7.11 4.48 0.00 3.64 3.64 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 0.00 201 W 8.20 5.12 0.00 3.24 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 0.00 202 H 9.90 5.36 0.00 3.06 3.23 0.00 5.55 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 V 8.50 5.23 2.26 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 0.87 0.00 0.00 1.03 0.00 0.00 204 D 9.36 4.79 0.00 3.10 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 0.00 205 A 9.41 5.34 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 206 A 8.96 4.98 1.26 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 0.00 0.00 207 F 8.77 5.06 0.00 3.11 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 0.00 208 Q 7.71 4.69 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 209 Q 7.92 3.81 0.00 1.80 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 1.86 1.44 0.00 210 T 8.07 4.55 4.58 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 0.43 0.00 0.00 211 L 8.10 4.58 0.00 1.35 1.52 0.87 0.88 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 0.00 212 W 9.36 4.82 0.00 3.25 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 0.00 213 S 9.31 4.88 0.00 3.74 3.81 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 0.00 214 V 8.54 4.85 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 0.77 0.00 0.00 0.94 0.00 0.00 215 A 8.63 4.85 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 P 0.00 4.81 0.00 1.95 2.00 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 217 I 8.09 3.60 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 1.16 0.41 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.