NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9320 8.2085 109.7431 45.6829 0.0000 175.0968 2 A 4.1977 7.4578 121.4821 50.9613 19.1835 177.9921 *4 K 4.3174 8.9547 122.2248 58.1984 35.1412 175.6804 5 N 4.3160 7.9479 116.1173 56.4947 38.2187 177.3767 6 S 4.0534 8.2152 114.3158 61.4917 62.6172 175.8056 7 F 4.0996 8.3924 122.8072 61.4436 38.9069 176.7049 8 D 4.1706 8.5523 118.6367 57.5209 40.6300 178.7079 9 R 3.7845 7.9307 118.4286 59.8306 30.0630 178.0246 10 L 3.7169 7.8355 119.4671 58.0808 41.7423 178.7115 11 I 3.2088 7.2901 118.7962 64.5619 37.4180 177.4982 12 D 4.4355 8.6217 118.8657 57.6706 40.4618 179.1331 13 G 3.5621 8.1973 106.0044 47.9255 0.0000 175.6781 14 L 3.8378 7.6993 121.2330 56.9037 41.2980 179.5151 15 A 4.6143 8.2204 122.6917 54.8644 18.2045 179.9008 16 K 3.9648 7.8745 114.9747 58.7499 32.1616 178.1895 17 D 4.8970 7.6193 115.3867 54.2614 41.7788 176.4642 18 Y 4.7904 7.3365 114.2224 56.1743 41.0229 175.9806 19 G 3.7367 8.6367 111.4453 46.0906 0.0000 173.3035 *21 P 3.5491 0.0000 0.0000 61.6851 33.6960 176.6306 22 G 3.8053 8.6659 108.6974 44.9795 0.0000 172.9911 23 F 5.1034 8.3374 119.8429 54.0618 38.9586 173.2947 24 P 4.3974 0.0000 0.0000 62.2354 32.1465 175.8122 25 E 4.2859 8.2581 118.4847 55.2189 30.2853 176.7870 26 K 4.3089 8.4008 120.2471 56.5388 30.9051 177.0375 27 K 4.0667 8.2283 124.7444 58.8425 32.7411 177.3673 28 H 4.4670 7.7127 115.9173 55.1182 29.3939 174.8248 29 E 4.1039 8.3200 121.4537 57.2473 29.9239 177.2881 30 H 4.2126 8.6569 119.2132 55.7474 27.0906 174.8590 31 E 4.1123 7.4702 120.0740 56.3490 30.0390 177.2891 32 V 4.2590 8.1215 114.9147 61.5550 35.0528 175.5497 33 Y 5.2467 7.7559 116.1168 56.6477 42.6069 174.2522 34 C 5.0289 8.3460 122.1611 58.3768 34.7202 172.8232 35 F 4.5528 9.2844 124.9378 55.4088 42.1333 173.6467 36 E 4.7821 8.7884 124.6883 54.6499 31.8538 174.8268 37 F 4.6380 9.1257 127.2597 55.3837 38.6895 176.5134 38 K 3.9945 8.5103 123.5754 59.2552 32.7556 179.2903 39 E 4.0467 8.6327 118.1278 59.2091 29.3550 178.7758 40 V 4.4190 7.9994 109.6989 60.3306 32.1061 176.0518 41 S 4.0128 7.8524 114.5143 59.7559 61.1784 171.5503 42 I 5.2506 7.3854 119.2193 59.6496 40.3927 175.1749 43 R 5.1850 9.7935 125.6573 54.4845 33.7384 174.7421 44 I 4.9773 8.8430 123.8161 60.0469 39.7239 174.4962 45 Y 5.3927 9.2324 124.6478 56.3266 41.6864 174.8401 46 Q 5.0769 8.8027 121.4544 54.2666 31.9138 174.3310 47 D 4.8546 9.7147 127.1320 54.6971 41.7647 176.0334 48 K 3.8926 7.7482 120.6561 56.8816 32.6631 177.1982 49 F 4.9719 7.4122 117.2841 57.3927 39.7765 175.6431 50 K 3.8795 8.1596 116.3850 57.9103 28.8980 175.2516 51 W 5.1335 8.0221 117.7226 54.7870 33.2585 176.4128 52 V 4.9878 8.5293 123.1613 60.4949 33.7097 174.3718 53 Y 5.4496 9.4988 119.9501 56.4015 42.4323 174.5614 54 F 5.4991 9.5109 120.5191 55.9166 42.4630 173.6940 55 L 5.2858 9.8648 126.9194 53.2474 44.6297 174.9358 56 S 5.2591 9.0558 120.5739 56.6149 65.7230 172.2634 57 D 5.1797 8.6855 126.7502 52.7859 41.2561 176.4180 58 I 3.6947 8.1566 126.5171 63.8784 37.6115 176.0372 59 G 3.9619 7.9691 107.9587 44.5337 0.0000 173.0462 60 V 4.7442 8.2787 124.3514 60.9361 34.2565 175.5030 61 I 4.6151 7.8911 116.3407 59.4898 39.0089 174.5838 62 D 4.4630 8.8375 126.0311 54.5163 39.9953 175.9691 63 N 4.9306 7.8564 117.9532 51.5598 40.6264 173.1143 64 L 4.5711 7.9945 123.3496 54.4403 45.7996 173.6481 65 D 4.7811 8.0764 118.1697 52.8770 44.4540 175.9035 66 S 4.5302 8.6664 113.1959 60.2789 63.4749 175.2175 67 N 4.6752 7.9217 120.5122 55.2207 38.1302 176.5604 68 A 3.9981 8.0370 122.9289 55.5017 18.4265 178.3769 69 C 3.6967 7.8152 114.6416 63.4508 31.5421 175.6297 70 Q 3.9351 8.0319 117.5872 59.8245 28.3464 179.8393 71 S 4.2594 8.2973 116.1544 62.1693 63.1745 176.4653 72 L 3.9233 8.0529 123.0608 57.5299 41.7020 177.9605 73 L 4.2409 8.3424 118.2330 56.3312 41.7894 177.8963 74 R 4.3993 8.0253 117.4041 57.4557 30.2626 177.3452 75 L 4.2129 8.4259 117.7318 57.1118 41.9040 177.1432 76 N 5.1338 8.1008 115.2684 52.8571 38.6942 174.9157 77 E 4.1411 7.6642 116.3713 56.4373 29.9520 176.9765 78 F 4.2027 8.7546 123.0665 58.3096 40.2023 173.8043 79 N 3.9010 5.9735 120.3625 52.6339 38.9869 173.8822 80 L 4.2862 8.0558 117.7730 54.5993 41.9629 177.2989 81 R 4.4432 7.4721 117.4345 54.7573 31.5921 177.5222 82 T 3.8683 8.4041 111.8423 62.0134 69.2996 172.8880 83 P 3.7242 0.0000 0.0000 63.9160 27.9521 172.7316 84 F 4.1958 8.0051 123.6621 57.1050 40.3762 174.7712 85 F 4.6659 7.6862 126.7333 56.3581 39.8598 175.4619 86 T 4.3616 8.6029 122.0305 62.9965 69.8188 174.0794 87 V 4.6659 8.6859 126.6387 61.4835 32.8521 175.0144 88 G 4.2053 9.0511 114.6543 45.1168 0.0000 170.0304 89 L 5.0840 8.3543 120.8570 52.6592 44.2707 176.4352 90 N 4.3627 9.0127 124.8147 53.9635 39.1191 174.4127 91 E 4.5313 8.5781 116.2281 56.5928 29.3820 178.1264 92 K 4.5564 7.7406 118.9583 56.1836 33.4252 175.7893 93 K 3.8544 8.0459 111.9044 57.8634 30.2632 174.9445 94 D 5.0771 7.7737 116.4683 51.9610 44.0322 176.9424 95 G 4.1972 8.6239 110.2438 47.3058 0.0000 172.6871 96 V 4.8699 8.2135 121.6752 60.3582 35.5155 173.5147 97 V 5.0250 9.1133 124.1557 61.6981 34.8211 173.6567 98 H 6.1480 9.2021 122.3982 54.0056 33.0130 171.7263 99 T 4.9917 8.5078 113.5836 62.9269 73.1296 172.8566 100 R 5.2939 8.3759 117.7313 55.5008 32.7382 174.6423 101 I 4.3654 8.5615 120.7353 59.2953 42.0430 172.9640 102 P 3.3977 0.0000 0.0000 62.2071 31.9724 176.1999 103 L 4.0312 8.1448 121.6172 56.7408 42.4354 176.5512 104 L 4.0230 7.7372 120.3459 56.2416 41.9975 175.6729 105 N 4.1154 8.8522 124.8726 54.6479 37.2509 173.2576 106 L 4.5705 7.6964 117.6174 52.6356 44.1030 175.4613 107 D 4.8708 8.6863 125.1200 52.6601 42.1743 176.5568 108 N 4.4516 8.6068 120.1401 55.7718 37.9074 176.6343 109 V 3.6970 8.0975 118.5236 65.8751 31.8428 178.2636 110 E 4.0844 7.6694 119.4268 56.2953 29.1254 178.8907 *112 R 4.2256 8.2222 116.7769 56.0849 32.3194 178.0577 113 R 3.8878 7.8838 116.5846 59.4810 29.9568 178.9713 114 V 3.6518 8.0420 118.0635 66.3550 31.3347 177.3054 115 F 3.6375 7.8698 119.4096 61.2060 39.1556 176.3181 116 E 3.8727 9.1141 117.7926 59.6767 29.4846 179.2801 117 A 3.8656 8.7303 121.5138 55.3403 18.3581 179.4292 118 L 2.8871 7.8110 118.7202 57.8905 42.0294 178.5603 119 L 3.6655 7.5433 120.2785 58.0553 41.8985 178.3301 120 N 4.1364 8.0891 116.0202 56.5405 38.5695 177.0565 121 L 3.9130 7.6381 121.1632 58.3607 41.9866 179.2023 122 S 4.1206 8.0612 115.1367 61.7471 62.6793 176.3182 123 G 3.6002 8.1859 108.7338 47.4338 0.0000 175.1090 124 E 3.9564 8.3679 122.1300 59.0774 30.0831 179.8947 125 V 3.8447 8.0977 118.1145 65.6027 31.5359 178.0649 126 K 3.9686 8.2717 119.7810 59.0477 32.8438 177.9230 127 K 4.3701 7.8870 118.0076 55.2945 30.2192 176.1213 128 T 4.6774 7.4485 116.0484 64.7177 76.4400 175.4645 129 F 4.4477 8.2980 115.9535 56.0158 39.9007 176.1065 130 G 4.3209 8.0561 115.5686 46.0806 0.0000 173.6431 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 8.21 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 2 A 7.46 4.20 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 *4 K 8.95 4.32 0.00 1.94 2.05 0.00 1.84 0.00 0.00 2.02 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.51 1.64 7.81 5 N 7.95 4.32 0.00 2.75 2.90 0.00 0.00 6.78 7.83 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 6 S 8.22 4.05 0.00 4.17 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 7 F 8.39 4.10 0.00 3.19 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 8 D 8.55 4.17 0.00 2.91 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 9 R 7.93 3.78 0.00 1.91 1.95 0.00 3.31 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 10 L 7.84 3.72 0.00 1.60 1.38 0.73 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.29 3.21 1.53 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 -0.36 0.56 0.00 0.00 12 D 8.62 4.44 0.00 2.71 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 13 G 8.20 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 3.84 0.00 1.15 0.47 0.31 -1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.22 4.61 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.87 3.96 0.00 1.93 1.90 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.70 7.81 17 D 7.62 4.90 0.00 2.87 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.34 4.79 0.00 3.13 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 19 G 8.64 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *21 P 0.00 3.55 0.00 1.21 0.49 0.00 3.51 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.45 0.00 22 G 8.67 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 0.00 0.00 0.00 23 F 8.34 5.10 0.00 2.76 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 24 P 0.00 4.40 0.00 1.97 2.00 0.00 3.49 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 25 E 8.26 4.29 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 2.28 2.32 0.00 26 K 8.40 4.31 0.00 1.71 1.81 0.00 1.69 0.00 0.00 0.61 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 27 K 8.23 4.07 0.00 1.67 1.67 0.00 1.42 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.33 7.81 28 H 7.71 4.47 0.00 3.05 3.07 0.00 5.75 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.32 4.10 0.00 1.91 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 1.84 2.14 0.00 30 H 8.66 4.21 0.00 3.31 3.12 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.47 4.11 0.00 2.10 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 2.38 2.48 0.00 32 V 8.12 4.26 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 0.61 0.00 0.00 0.04 0.00 0.00 33 Y 7.76 5.25 0.00 2.96 3.01 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 34 C 8.35 5.03 0.00 2.89 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 35 F 9.28 4.55 0.00 3.07 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 36 E 8.79 4.78 0.00 1.83 1.68 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 2.15 2.25 0.00 37 F 9.13 4.64 0.00 3.17 3.07 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 38 K 8.51 3.99 0.00 1.84 1.90 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.45 7.81 39 E 8.63 4.05 0.00 2.29 2.17 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 2.49 2.48 0.00 40 V 8.00 4.42 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 1.16 0.00 0.00 1.18 0.00 0.00 41 S 7.85 4.01 0.00 4.06 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 42 I 7.39 5.25 2.02 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.88 1.28 0.00 0.00 43 R 9.79 5.18 0.00 1.84 1.55 0.00 3.10 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 44 I 8.84 4.98 2.11 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.30 0.94 0.00 0.00 45 Y 9.23 5.39 0.00 2.86 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 46 Q 8.80 5.08 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.09 2.31 0.00 47 D 9.71 4.85 0.00 3.41 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.75 3.89 0.00 1.63 0.78 0.00 1.67 0.00 0.00 1.46 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.08 1.19 7.81 49 F 7.41 4.97 0.00 3.33 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.16 3.88 0.00 2.04 1.91 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.45 7.81 51 W 8.02 5.13 0.00 3.27 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.53 4.99 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 0.98 0.00 0.00 1.08 0.00 0.00 53 Y 9.50 5.45 0.00 3.05 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 54 F 9.51 5.50 0.00 3.19 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 55 L 9.86 5.29 0.00 1.98 1.87 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 56 S 9.06 5.26 0.00 3.91 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 57 D 8.69 5.18 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.16 3.69 1.87 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 1.14 0.40 0.91 0.00 0.00 59 G 7.97 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 60 V 8.28 4.74 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 0.94 0.00 0.00 1.06 0.00 0.00 61 I 7.89 4.62 1.94 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 1.50 0.78 1.08 0.00 0.00 62 D 8.84 4.46 0.00 2.80 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 63 N 7.86 4.93 0.00 2.68 2.74 0.00 0.00 6.79 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 64 L 7.99 4.57 0.00 1.67 1.57 0.97 1.16 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 65 D 8.08 4.78 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.67 4.53 0.00 4.06 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.92 4.68 0.00 2.95 3.11 0.00 0.00 6.12 7.15 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 68 A 8.04 4.00 1.40 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 0.00 0.00 69 C 7.82 3.70 0.00 3.09 3.07 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 70 Q 8.03 3.94 0.00 2.49 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.45 0.00 0.00 0.00 0.00 0.00 2.43 2.83 0.00 71 S 8.30 4.26 0.00 4.19 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 72 L 8.05 3.92 0.00 1.92 1.80 -0.50 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.34 4.24 0.00 1.65 1.82 0.95 0.94 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 74 R 8.03 4.40 0.00 2.16 2.09 0.00 3.24 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 75 L 8.43 4.21 0.00 1.69 1.67 0.78 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.10 5.13 0.00 2.82 3.02 0.00 0.00 6.95 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 77 E 7.66 4.14 0.00 2.20 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 2.52 2.38 0.00 78 F 8.75 4.20 0.00 2.96 3.01 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 79 N 5.97 3.90 0.00 2.68 2.65 0.00 0.00 6.06 7.79 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 80 L 8.06 4.29 0.00 1.59 1.66 0.96 0.98 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 81 R 7.47 4.44 0.00 1.93 1.87 0.00 3.34 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 82 T 8.40 3.87 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 83 P 0.00 3.72 0.00 1.98 1.91 0.00 3.62 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 84 F 8.01 4.20 0.00 2.88 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 85 F 7.69 4.67 0.00 2.70 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 86 T 8.60 4.36 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 1.31 0.00 0.00 87 V 8.69 4.67 2.17 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 0.63 0.00 0.00 0.85 0.00 0.00 88 G 9.05 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 0.00 0.00 0.00 0.00 89 L 8.35 5.08 0.00 1.55 1.53 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.01 4.36 0.00 2.92 2.86 0.00 0.00 6.83 7.96 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 91 E 8.58 4.53 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 92 K 7.74 4.56 0.00 1.84 1.74 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.42 7.81 93 K 8.05 3.85 0.00 1.84 1.86 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.51 7.81 94 D 7.77 5.08 0.00 2.58 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.62 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.21 4.87 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 0.76 0.00 0.00 1.01 0.00 0.00 97 V 9.11 5.02 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 1.00 0.00 0.00 0.89 0.00 0.00 98 H 9.20 6.15 0.00 3.48 3.48 0.00 5.60 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.51 4.99 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 1.06 0.00 0.00 100 R 8.38 5.29 0.00 1.84 1.73 0.00 3.05 0.00 0.00 2.98 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.91 0.00 101 I 8.56 4.37 1.84 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 1.26 0.67 0.76 0.00 0.00 102 P 0.00 3.40 0.00 1.64 0.74 0.00 3.08 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.36 0.00 103 L 8.14 4.03 0.00 1.93 1.66 1.02 0.30 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 0.00 104 L 7.74 4.02 0.00 1.58 1.51 0.91 0.92 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 0.00 105 N 8.85 4.12 0.00 2.86 2.81 0.00 0.00 6.93 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 0.00 106 L 7.70 4.57 0.00 1.56 1.64 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.69 4.87 0.00 2.79 2.51 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 0.00 108 N 8.61 4.45 0.00 2.84 3.11 0.00 0.00 5.99 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 0.00 109 V 8.10 3.70 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 0.94 0.00 0.00 0.92 0.00 0.00 110 E 7.67 4.08 0.00 2.08 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 2.29 2.27 0.00 *112 R 8.22 4.23 0.00 2.15 1.99 0.00 3.37 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 113 R 7.88 3.89 0.00 2.05 1.99 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 114 V 8.04 3.65 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 0.57 0.00 0.00 0.84 0.00 0.00 115 F 7.87 3.64 0.00 3.04 3.11 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 0.00 0.00 0.00 0.00 116 E 9.11 3.87 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 117 A 8.73 3.87 1.40 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 0.00 0.00 118 L 7.81 2.89 0.00 1.92 1.63 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.54 3.67 0.00 1.61 1.49 1.02 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 120 N 8.09 4.14 0.00 2.79 2.78 0.00 0.00 6.78 6.10 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 0.00 121 L 7.64 3.91 0.00 1.28 1.27 0.75 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.06 4.12 0.00 3.98 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 0.00 123 G 8.19 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 0.00 124 E 8.37 3.96 0.00 1.90 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 2.33 2.52 0.00 125 V 8.10 3.84 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 0.86 0.00 0.00 0.88 0.00 0.00 126 K 8.27 3.97 0.00 2.08 1.90 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.50 7.81 127 K 7.89 4.37 0.00 1.79 1.78 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.48 7.81 128 T 7.45 4.68 4.63 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 0.80 0.00 0.00 129 F 8.30 4.45 0.00 2.95 3.11 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 0.00 0.00 0.00 0.00 130 G 8.06 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.