NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2755 8.3293 121.7112 56.0702 30.4701 175.3630 3 T 4.0635 8.1169 115.6419 60.6728 71.2311 174.2337 4 L 3.6193 9.0705 123.5925 57.9450 41.9773 180.7460 5 N 4.3432 8.0398 115.8537 56.5312 38.5450 176.9744 6 D 4.3865 7.9075 119.7067 57.4134 40.9215 178.7766 7 I 3.8471 7.8365 120.2985 64.6791 37.0924 177.8627 8 Y 4.1078 8.3950 120.5026 60.8224 38.6332 178.0998 9 L 3.8607 8.2101 119.6797 57.5761 41.6454 179.3740 10 A 3.9286 8.0086 120.9438 55.0559 18.2887 179.0597 11 Y 2.3900 7.5512 117.9613 60.3489 38.7694 178.2633 12 L 3.3170 7.4875 119.9294 57.4790 41.6172 178.9812 13 D 4.2741 8.0028 118.2876 57.3291 41.0696 178.5152 14 S 4.0916 7.7519 114.7284 61.3598 62.8642 176.4167 15 L 3.9695 7.6169 122.5965 57.7071 41.1294 179.3076 16 N 4.5275 8.1408 115.0283 56.1274 38.4816 176.1425 17 H 4.4664 7.6798 114.5526 54.3366 29.3018 174.8720 18 Q 2.0000 7.4324 118.6126 56.4089 26.9933 175.0984 19 A 4.1728 7.2894 120.1649 51.0182 17.4264 178.7924 20 F 4.8676 7.2201 119.2951 58.0221 40.1665 178.1880 21 D 4.4461 8.0830 120.2021 56.9456 40.9201 177.4217 22 E 4.3231 7.9899 117.1025 56.6915 29.6158 177.9362 23 L 4.3457 7.8349 122.2462 58.2232 41.9575 178.8682 24 G 3.6859 8.1299 103.9916 47.3086 0.0000 175.0878 25 T 3.7693 7.7661 117.5083 65.7637 68.5463 174.9144 26 F 4.8862 8.1959 118.0639 57.1200 40.6928 175.3848 27 V 4.4495 7.3778 120.0948 60.2866 34.1335 174.2500 28 D 4.4524 8.7732 127.0942 54.0940 41.9283 176.6341 29 D 4.4321 8.8088 124.1036 57.2296 40.9531 177.5479 30 N 5.3712 8.4415 115.6436 52.5042 39.3745 176.0479 31 V 3.9685 7.7095 118.2938 62.3451 32.9007 174.3096 32 E 5.0004 8.8257 123.7361 54.5994 32.6488 173.8374 33 H 4.7437 7.9270 125.8015 54.4614 32.6643 173.2752 34 N 3.9438 9.1320 125.3866 54.3819 36.5045 175.4780 35 G 4.0981 7.7513 102.7167 45.8826 0.0000 173.7550 36 R 4.1556 7.3213 120.4293 54.1616 30.4109 175.1821 37 P 4.7127 0.0000 0.0000 61.4523 30.0200 176.0899 38 F 4.6057 7.9398 114.2324 56.5411 39.3711 177.7354 39 G 4.2184 8.5383 112.1128 44.9005 0.0000 174.4153 40 L 3.9097 8.4608 119.6388 58.3143 41.7947 179.0040 41 S 4.1108 8.0501 112.5980 61.2990 62.2157 176.1632 42 G 3.0922 7.4244 107.3493 47.6403 0.0000 174.7679 43 Y 3.5726 7.1686 120.8994 60.1413 39.0319 177.5035 44 R 3.9357 8.1698 119.8947 59.2934 30.1681 179.3358 45 D 4.5506 7.7779 117.2058 54.4515 40.7395 178.4556 *47 L 4.2427 7.9162 121.1780 54.8700 43.9493 179.5131 48 V 3.6801 7.6400 117.8602 65.8166 31.2377 178.0810 49 K 3.9648 8.2174 119.3858 59.5181 32.0905 178.2711 50 D 4.3514 8.1984 118.7588 57.8616 40.7968 179.0685 51 F 4.2768 8.4767 117.5411 60.1897 38.6884 177.8008 52 A 4.1992 7.8452 119.8868 55.2521 18.4072 179.1202 53 D 4.5984 8.6298 117.8578 55.9853 42.0920 175.9144 54 I 4.6678 7.6962 119.7987 57.9635 37.7131 173.5874 55 P 4.5223 0.0000 0.0000 64.5405 31.5195 177.0367 56 D 4.7664 7.9321 115.6032 52.8153 39.6159 175.5911 57 L 3.8425 7.4570 121.9671 55.7875 42.3727 176.4639 58 R 4.7992 7.9825 124.0631 55.0049 33.1019 173.5508 59 F 4.5187 9.6749 124.4276 55.8021 40.7683 175.1839 60 E 4.5883 8.2358 124.1616 54.7014 32.7992 173.4624 61 A 4.8207 8.7695 129.5110 51.8163 19.0123 176.6059 62 E 4.3745 9.5049 122.6307 57.6902 31.0506 177.1414 63 I 4.7327 7.6307 119.0267 59.3657 41.5613 174.4332 64 L 5.1699 8.6204 125.4227 52.8999 44.9123 176.0109 65 V 4.5864 8.8261 123.4669 61.1095 34.5390 174.3819 66 S 5.1456 8.6039 120.9018 57.2387 65.9587 173.3300 67 D 4.8435 8.5629 120.9215 52.4928 40.6546 175.9361 68 A 4.1268 8.9090 119.2894 54.9084 18.7683 178.4443 69 T 4.6683 8.1368 103.0406 61.2437 70.8113 173.4600 70 R 5.5268 8.7064 121.2282 54.5373 34.8360 174.0082 71 L 5.2384 9.1164 122.0700 53.4298 46.0321 174.7499 72 A 5.0387 9.2384 127.0451 49.9119 22.1092 174.8010 73 A 5.0348 8.8333 123.3689 50.0337 22.7852 175.0093 74 R 4.8214 8.9844 123.1850 55.0725 31.6779 174.8274 75 L 5.1129 8.9935 127.4196 53.0159 44.2265 175.3067 76 F 4.9872 8.4164 125.7522 56.3165 41.3835 174.5298 77 F 4.2305 7.8735 124.6440 55.2750 41.8601 173.9300 78 D 4.9816 8.0802 122.2620 53.0402 43.3702 173.7162 79 C 4.7363 8.5865 119.9684 58.6736 33.6693 173.4404 80 T 4.5221 8.3352 114.7230 60.3241 68.3543 171.0214 81 P 4.2408 0.0000 0.0000 62.7231 32.2901 177.3752 82 K 3.9883 9.1198 124.5520 58.4089 33.0687 175.8575 83 S 5.0440 7.6400 117.6236 56.7762 66.3519 175.1155 84 I 4.4806 8.5620 119.4149 60.9601 37.8421 175.7398 85 F 4.8923 8.6933 127.8050 57.5988 39.3519 174.6858 *87 D 4.6650 7.9053 113.6934 54.1254 42.7560 175.8318 88 L 4.7851 7.7250 118.6494 52.3062 44.6911 175.2410 89 P 5.0971 0.0000 0.0000 62.0730 30.1676 176.1498 90 V 3.5882 7.8543 125.2956 66.4251 33.0019 176.2227 91 N 4.8826 8.8762 115.4561 53.3005 36.2316 175.6439 92 G 3.9881 8.6188 103.6684 45.2062 0.0000 173.4238 93 R 4.2685 7.3881 118.2379 55.5532 31.0005 176.3136 94 R 4.4296 8.4906 123.7532 56.3065 30.9550 175.8662 95 V 4.8827 9.1673 118.8724 59.7730 36.4648 174.2430 96 Q 5.4731 9.3718 122.0062 53.3489 31.1346 175.0361 97 F 5.0493 7.7063 116.8380 56.2208 41.5532 172.6286 98 C 5.4454 8.9741 116.6809 58.1703 31.6925 172.2381 99 E 5.3009 9.2727 121.5503 54.9205 32.5472 174.1936 100 H 5.6022 9.4253 124.3159 54.1246 31.3413 173.6381 101 V 5.1159 8.6915 122.7994 59.9369 34.9403 174.3923 102 F 5.2107 9.4403 122.3783 55.9576 42.0938 174.0219 103 Y 5.2920 9.4548 120.4805 56.4120 41.3668 174.2068 104 D 5.3867 9.3988 124.2667 53.2350 42.7730 175.5084 105 F 5.1798 9.4177 122.8959 55.8251 41.6360 175.3464 106 E 4.4805 9.0738 122.7413 55.5339 32.2094 175.6142 107 Q 3.6243 9.8322 126.8304 57.2334 26.1938 174.2114 108 A 3.9622 8.3199 115.0119 52.4497 16.9370 177.9919 109 K 4.8898 7.8332 115.6845 54.6780 35.7184 175.7021 110 I 3.2663 8.5463 123.6266 61.6196 37.4665 176.3759 111 R 4.3381 9.0471 127.3449 57.1150 32.8414 175.8034 112 R 4.8451 7.6486 115.8749 54.2048 34.7640 174.5194 113 V 4.6211 7.9449 121.7175 60.7404 35.3250 174.1330 114 W 5.1462 9.3431 126.9855 54.9926 32.0663 174.2423 115 S 5.2492 9.8240 120.0679 56.3584 64.8039 173.2432 116 V 4.5254 8.8335 125.9320 61.1889 34.1813 174.1628 117 L 5.0407 8.5745 127.2268 53.5896 43.5144 177.3594 118 D 4.6214 8.9780 122.3092 53.1003 39.5763 176.8569 119 K 3.5985 8.1147 125.7496 58.7941 32.5996 177.9266 120 V 3.7261 7.8034 117.9790 65.9053 31.3178 177.5706 121 A 4.0728 8.0149 120.5775 55.3155 18.2349 179.7620 122 I 3.6998 7.3575 117.8324 64.5486 37.0766 178.2289 123 E 3.9410 8.2207 119.4657 59.9094 29.1258 179.9474 124 R 3.9854 7.8979 116.3877 59.1847 30.1523 178.7951 125 Q 4.1884 7.7131 117.0263 58.3372 28.8492 177.8275 126 L 4.3641 7.8827 118.9516 56.2653 41.9510 177.6037 127 G 3.8798 7.6620 110.1337 44.8688 0.0000 173.3068 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 2 Q 8.33 4.28 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 3 T 8.12 4.06 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 1.20 0.00 0.00 4 L 9.07 3.62 0.00 1.41 1.05 0.75 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.04 4.34 0.00 2.79 2.89 0.00 0.00 7.16 8.08 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 6 D 7.91 4.39 0.00 2.84 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 7 I 7.84 3.85 2.06 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.79 1.30 0.00 0.00 8 Y 8.39 4.11 0.00 3.14 3.14 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 0.00 0.00 0.00 0.00 9 L 8.21 3.86 0.00 1.76 1.70 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.01 3.93 1.54 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 0.00 0.00 11 Y 7.55 2.39 0.00 2.21 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 12 L 7.49 3.32 0.00 1.62 1.54 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.00 4.27 0.00 2.80 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 14 S 7.75 4.09 0.00 4.18 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 0.00 15 L 7.62 3.97 0.00 1.41 1.56 0.71 -0.57 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 16 N 8.14 4.53 0.00 2.81 2.84 0.00 0.00 7.08 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 17 H 7.68 4.47 0.00 3.03 3.22 0.00 5.80 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.43 2.00 0.00 1.62 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.34 0.00 0.00 0.00 0.00 0.00 1.16 1.52 0.00 19 A 7.29 4.17 1.20 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 20 F 7.22 4.87 0.00 3.12 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 21 D 8.08 4.45 0.00 2.67 2.75 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 22 E 7.99 4.32 0.00 2.19 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 2.42 2.48 0.00 23 L 7.83 4.35 0.00 2.05 1.79 1.28 1.36 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 24 G 8.13 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 0.00 0.00 0.00 25 T 7.77 3.77 3.15 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 0.00 0.00 0.00 0.52 0.00 0.00 26 F 8.20 4.89 0.00 3.19 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 27 V 7.38 4.45 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 0.44 0.00 0.00 0.58 0.00 0.00 28 D 8.77 4.45 0.00 2.69 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.81 4.43 0.00 2.82 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 30 N 8.44 5.37 0.00 2.69 2.81 0.00 0.00 7.05 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.71 3.97 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 0.87 0.00 0.00 1.01 0.00 0.00 32 E 8.83 5.00 0.00 1.96 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.05 0.00 33 H 7.93 4.74 0.00 3.24 2.45 0.00 5.79 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.13 3.94 0.00 2.77 2.76 0.00 0.00 7.10 7.25 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 35 G 7.75 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 0.00 0.00 0.00 0.00 36 R 7.32 4.16 0.00 1.35 1.54 0.00 3.06 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.39 0.00 37 P 0.00 4.71 0.00 2.18 2.06 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 38 F 7.94 4.61 0.00 3.13 3.24 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 39 G 8.54 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 40 L 8.46 3.91 0.00 1.90 1.68 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.05 4.11 0.00 3.90 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 42 G 7.42 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 0.00 0.00 0.00 43 Y 7.17 3.57 0.00 3.08 2.98 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 44 R 8.17 3.94 0.00 1.97 1.97 0.00 3.16 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 45 D 7.78 4.55 0.00 2.73 2.57 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 0.00 0.00 0.00 0.00 *47 L 7.92 4.24 0.00 1.27 1.40 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.64 3.68 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 1.04 0.00 0.00 0.83 0.00 0.00 49 K 8.22 3.96 0.00 1.96 1.77 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.48 7.81 50 D 8.20 4.35 0.00 2.91 2.56 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 51 F 8.48 4.28 0.00 3.26 3.21 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 52 A 7.85 4.20 1.41 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 0.00 0.00 0.00 53 D 8.63 4.60 0.00 2.76 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 54 I 7.70 4.67 1.62 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.87 0.72 0.00 0.00 55 P 0.00 4.52 0.00 2.05 2.18 0.00 3.68 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 56 D 7.93 4.77 0.00 2.81 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.46 3.84 0.00 1.36 0.86 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.98 4.80 0.00 1.75 1.66 0.00 3.28 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.88 0.00 59 F 9.67 4.52 0.00 2.99 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 60 E 8.24 4.59 0.00 2.00 1.65 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 2.30 2.38 0.00 61 A 8.77 4.82 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.50 4.37 0.00 1.84 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 2.25 2.30 0.00 63 I 7.63 4.73 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.84 0.89 0.00 0.00 64 L 8.62 5.17 0.00 1.49 1.52 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.83 4.59 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 0.98 0.00 0.00 0.91 0.00 0.00 66 S 8.60 5.15 0.00 3.85 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 67 D 8.56 4.84 0.00 2.74 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 68 A 8.91 4.13 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.14 4.67 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 70 R 8.71 5.53 0.00 1.97 2.00 0.00 3.14 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.68 0.00 71 L 9.12 5.24 0.00 1.63 1.61 0.76 0.31 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 72 A 9.24 5.04 0.64 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 0.00 0.00 73 A 8.83 5.03 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 74 R 8.98 4.82 0.00 1.80 1.83 0.00 3.15 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 75 L 8.99 5.11 0.00 1.73 1.20 1.50 1.17 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 76 F 8.42 4.99 0.00 2.91 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 77 F 7.87 4.23 0.00 1.51 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 78 D 8.08 4.98 0.00 2.46 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 C 8.59 4.74 0.00 3.04 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.34 4.52 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 1.20 0.00 0.00 81 P 0.00 4.24 0.00 1.96 1.65 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.43 0.00 82 K 9.12 3.99 0.00 1.69 1.85 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.37 7.81 83 S 7.64 5.04 0.00 3.84 3.24 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 84 I 8.56 4.48 1.88 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 1.30 0.92 0.92 0.00 0.00 85 F 8.69 4.89 0.00 2.92 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 *87 D 7.91 4.67 0.00 2.64 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 88 L 7.72 4.79 0.00 1.73 1.50 0.82 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 5.10 0.00 2.18 2.09 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 90 V 7.85 3.59 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 1.01 0.00 0.00 1.02 0.00 0.00 91 N 8.88 4.88 0.00 2.90 2.82 0.00 0.00 6.64 7.94 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 92 G 8.62 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 93 R 7.39 4.27 0.00 1.81 1.88 0.00 3.27 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 94 R 8.49 4.43 0.00 1.82 1.84 0.00 3.17 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 95 V 9.17 4.88 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.07 0.00 0.00 96 Q 9.37 5.47 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.65 0.00 0.00 0.00 0.00 0.00 2.51 2.21 0.00 97 F 7.71 5.05 0.00 3.14 3.17 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 0.00 98 C 8.97 5.45 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 99 E 9.27 5.30 0.00 2.49 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 100 H 9.43 5.60 0.00 3.19 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.69 5.12 2.36 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 1.12 0.00 0.00 0.54 0.00 0.00 102 F 9.44 5.21 0.00 3.24 3.17 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 0.00 103 Y 9.45 5.29 0.00 3.10 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 0.00 104 D 9.40 5.39 0.00 2.73 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 0.00 105 F 9.42 5.18 0.00 3.03 3.03 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 0.00 106 E 9.07 4.48 0.00 1.94 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 2.31 0.00 107 Q 9.83 3.62 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.03 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 108 A 8.32 3.96 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 0.00 109 K 7.83 4.89 0.00 1.91 1.68 0.00 1.65 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.55 7.81 110 I 8.55 3.27 1.47 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 -0.17 0.86 0.00 0.00 111 R 9.05 4.34 0.00 1.85 2.00 0.00 3.05 0.00 0.00 3.35 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 112 R 7.65 4.85 0.00 1.51 0.66 0.00 3.23 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.50 0.00 113 V 7.94 4.62 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.15 0.00 0.00 114 W 9.34 5.15 0.00 3.35 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 9.82 5.25 0.00 3.81 3.72 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 0.00 116 V 8.83 4.53 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 1.05 0.00 0.00 1.01 0.00 0.00 117 L 8.57 5.04 0.00 1.51 1.60 0.88 1.28 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 0.00 118 D 8.98 4.62 0.00 2.95 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 0.00 119 K 8.11 3.60 0.00 1.73 1.72 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.36 7.81 120 V 7.80 3.73 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 1.01 0.00 0.00 0.93 0.00 0.00 121 A 8.01 4.07 1.52 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 0.00 0.00 122 I 7.36 3.70 1.90 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.80 0.93 0.00 0.00 123 E 8.22 3.94 0.00 2.19 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 2.31 2.48 0.00 124 R 7.90 3.99 0.00 1.98 2.02 0.00 3.19 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 125 Q 7.71 4.19 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.97 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 126 L 7.88 4.36 0.00 1.64 1.73 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 127 G 7.66 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 * Residues marked with a * may have inaccurate shift predictions.