NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8426 8.3544 109.7226 44.9001 0.0000 174.0555 4 D 4.1869 8.4975 124.2208 53.6405 42.8701 175.4812 5 K 4.0289 8.8076 127.0912 58.9861 32.7510 178.4181 6 K 3.9334 8.3595 120.2363 58.8116 32.0439 178.8164 7 V 3.6102 7.9880 118.2598 66.2003 31.4648 177.7703 8 I 3.6665 7.6928 119.3423 64.4611 36.8536 178.1913 9 Q 3.9319 7.9205 118.5037 59.4283 28.5568 178.6085 10 H 4.1164 8.2250 116.9313 59.0641 28.7364 177.7268 11 L 3.9971 8.5798 120.6836 58.1108 41.6803 179.5405 12 N 4.3618 8.7865 116.3036 55.6614 38.3338 177.5919 13 K 3.9001 8.1334 121.6118 59.5972 32.5148 178.6534 14 I 3.6893 8.0642 120.5262 64.5816 37.0769 178.0394 15 L 4.0802 8.3942 121.3757 58.1124 41.7109 179.2735 16 G 3.6206 7.9099 105.2931 47.9314 0.0000 175.4610 17 N 4.3788 8.2435 118.8888 56.0772 38.5240 177.4284 18 E 4.0047 8.1315 119.6347 59.0650 29.2743 179.2986 19 L 3.9297 8.0035 119.1592 57.7507 41.7029 179.3995 20 I 3.6352 7.4593 119.3406 64.4721 37.0184 178.3657 21 A 3.3119 7.7477 121.2986 54.7385 18.0909 179.3178 22 I 3.5991 7.9663 118.8026 65.0119 37.2783 178.3318 23 N 4.3707 7.7670 116.5213 56.2529 38.4398 177.3023 24 Q 3.8941 8.0154 120.9678 59.5614 29.0700 178.1463 25 Y 4.6390 8.1496 117.8092 60.9990 37.9732 177.7829 26 F 3.9383 8.5470 121.7777 61.0232 39.4028 177.0466 27 L 3.9873 8.2133 119.9307 58.4410 42.0244 178.2025 28 H 3.7592 8.1092 116.2061 59.1823 28.6925 177.5683 29 S 4.3793 8.4200 114.9331 61.5214 62.2654 176.2377 30 R 4.0101 7.7800 120.1958 58.4759 29.7485 178.9448 31 M 3.4697 7.9034 119.2937 58.0094 31.8301 178.3819 32 W 4.6056 7.6994 118.9352 60.1144 29.2208 178.4425 33 N 4.3534 8.1243 115.6126 56.4709 37.8511 176.6237 34 D 4.4109 7.7054 117.9158 57.4974 41.2928 178.0940 35 W 4.8209 8.1926 116.1969 57.0212 28.9947 177.2406 36 G 3.9942 8.6679 108.5464 45.8861 0.0000 174.3112 37 L 4.8149 8.2133 122.5062 53.5161 40.2539 177.7550 38 K 4.1187 8.4255 120.1988 58.4220 32.5342 178.9873 39 R 3.9774 7.8897 119.6812 58.9579 30.1214 178.2126 40 L 3.7536 7.7125 118.4815 57.4333 41.4274 179.1921 41 G 3.9453 8.2504 105.5861 48.0709 0.0000 175.4721 42 A 3.9606 7.7803 122.1528 54.8255 18.7836 178.7085 43 H 4.0950 8.2479 116.7728 59.6337 29.8934 177.0349 44 E 4.0044 8.3977 120.9033 59.3789 29.4605 177.8918 45 Y 4.0171 8.3582 119.8765 61.2173 38.7612 178.0425 46 H 4.1738 8.3316 116.8734 58.5245 28.6923 177.6360 47 E 3.8855 7.9166 120.2321 59.0065 29.2957 178.8915 48 S 4.2636 8.2888 113.4184 61.7854 62.6389 176.4196 49 I 3.6428 7.4761 122.2432 64.4497 36.8260 178.1954 50 D 4.3084 8.2243 119.7507 57.1492 40.5046 178.5306 51 E 4.1163 7.9419 118.8947 59.2259 29.7045 178.6737 52 M 3.9947 8.0719 118.7523 58.4394 31.9394 179.0611 53 K 3.9898 7.8909 118.0692 59.6656 32.2917 179.0089 54 H 4.2448 7.9491 115.8076 58.7907 28.5012 177.6988 55 A 3.9475 8.2266 122.5488 55.1467 18.2853 178.7981 56 D 4.3082 8.0219 116.6067 57.8605 41.2956 178.9577 57 K 4.0148 8.0280 118.5181 59.3633 31.9888 179.4661 58 L 3.9962 7.9152 119.2915 57.9065 41.6100 179.3612 59 I 3.7653 8.0236 120.0257 64.6445 36.9780 178.3739 60 E 4.0194 8.2137 119.2929 59.2523 29.2604 179.3752 61 R 3.9996 7.9863 118.6579 59.4082 30.1138 178.5510 62 I 3.7081 8.2426 119.9500 64.4721 37.1019 178.2037 63 L 3.9683 8.0179 119.6623 58.0583 41.2931 179.5249 64 F 4.2622 8.4838 119.4517 60.9262 39.3043 176.0944 65 L 4.0110 7.7198 116.1817 53.8168 41.4866 176.4166 66 E 3.7277 8.0682 117.4021 57.3773 27.3313 175.1202 67 G 3.8582 7.9666 109.1169 44.5266 0.0000 173.5958 68 L 4.5528 8.0320 119.4271 51.9218 42.5412 174.9337 69 P 4.2640 0.0000 0.0000 62.7856 31.6649 176.1044 70 N 4.6819 9.5932 122.6160 52.3787 38.3651 173.9359 71 L 4.5509 8.2285 123.7230 54.4509 42.3691 177.5210 72 Q 4.0402 8.1603 121.2053 57.5597 29.2609 175.2283 73 D 4.5237 7.9706 117.3704 52.5737 40.1164 175.1115 74 L 4.3609 8.1208 126.5634 52.9710 42.2973 177.6790 75 G 3.8716 8.3283 118.0844 45.2039 0.0000 170.6140 76 K 4.3630 8.3871 122.6545 54.5687 33.0466 177.2798 77 L 4.1971 8.3781 126.7579 54.7045 42.2557 177.3808 78 L 4.5318 8.1650 123.0771 53.0360 41.0692 174.2302 79 I 4.1678 7.8862 121.9557 59.7560 37.9589 176.6199 80 G 4.0339 8.6184 114.9844 44.9268 0.0000 172.2981 81 E 4.7578 8.8108 116.3170 55.4602 31.8325 176.3953 82 N 5.1116 7.7607 115.3437 50.1895 42.0521 174.9223 83 T 4.4313 8.6687 117.1630 67.3869 68.6450 176.4199 84 Q 3.9878 8.1961 120.5561 59.3236 29.2646 177.9218 85 E 4.0614 8.8072 119.7025 59.4743 29.4513 179.3141 86 M 3.9423 8.2265 118.9294 58.3272 31.8903 178.7448 87 L 4.1706 8.0295 118.9381 57.9889 41.7798 179.4486 88 Q 3.9827 8.1170 119.1153 59.2857 28.9899 177.9981 89 C 4.2517 8.2069 117.8743 62.5773 28.0376 175.7707 90 D 4.6222 8.0962 120.3651 57.2254 40.5875 178.4116 91 L 3.9693 8.3193 121.2097 58.1383 42.0650 178.8743 92 N 4.3088 8.4393 116.4900 56.1948 38.5162 176.7782 93 L 3.9511 7.8436 121.6628 58.6912 42.1345 179.1026 94 E 4.0817 8.5785 118.2937 59.3070 28.9278 179.3300 95 L 4.0919 7.9796 119.1265 57.5482 41.7454 179.4650 96 K 3.9956 8.1336 119.4061 59.4215 32.1727 178.8449 97 A 4.0065 8.1851 121.1761 55.4857 18.2288 179.4205 98 T 3.8446 8.5095 114.6469 66.8868 68.4872 176.5413 99 K 3.9115 7.6783 119.9465 59.6504 32.3944 178.4973 100 D 4.3998 7.9798 118.8219 57.4761 40.8012 178.7786 101 L 3.9807 8.0186 119.2524 58.1930 41.6598 180.0076 102 R 3.9741 7.7255 117.4624 59.1282 29.9549 179.0746 103 E 3.9053 8.3231 118.2413 59.3694 29.5193 178.8453 104 A 3.5220 8.3776 121.1396 55.4653 18.2774 179.8783 105 I 3.6460 7.7023 117.8803 64.4132 37.3208 178.6009 106 V 3.5810 7.7194 119.1765 66.5433 31.3828 177.6250 107 H 4.1123 8.3557 117.7439 59.2937 29.6135 177.0474 108 C 4.1199 8.1246 118.8019 62.5655 27.8558 175.5912 109 E 3.8876 8.2818 120.9577 59.3351 29.0342 178.6640 110 Q 3.9582 7.6829 117.9422 58.8857 29.1588 177.7195 111 V 3.9338 7.0661 109.7882 60.6174 31.7647 175.6503 112 H 3.0552 7.2773 113.7449 57.0168 26.9299 176.3011 113 D 4.5356 7.4546 120.1464 53.5047 38.0875 175.6679 114 Y 4.3376 7.4216 121.1026 60.3334 38.4701 177.7966 115 V 3.6795 7.8248 119.1946 66.1205 31.8342 178.0857 116 S 4.1830 8.2147 114.4991 61.5493 62.5762 176.6015 117 R 3.9224 8.1109 121.5522 59.4684 29.8030 178.1471 118 D 4.3249 8.0027 117.4678 56.9723 41.2270 177.9234 119 L 3.9161 7.9432 120.9092 58.2667 42.0848 178.9117 120 L 3.9759 7.9881 118.8654 57.8170 41.6734 179.5657 121 K 3.9603 8.3351 119.5480 59.2861 31.9289 178.7308 122 D 4.3373 8.0897 119.3261 57.4428 40.7211 178.5942 123 I 3.5301 7.6267 120.2367 64.2305 36.9944 178.0977 124 L 3.9206 8.1474 121.2792 58.3342 41.9336 178.6594 125 E 3.9155 8.0840 118.8032 59.3513 29.4103 178.7643 126 S 4.1879 7.8573 113.1940 61.2931 62.5043 175.9585 127 E 4.1444 8.5881 121.6559 59.4509 29.2896 179.1924 128 E 4.0980 8.6098 118.9406 59.2790 29.4454 179.1766 129 E 4.0840 8.3587 118.9836 59.5580 29.4747 178.7660 130 H 4.4542 8.1501 118.1495 59.0815 29.8898 177.4504 131 I 3.7404 7.9089 121.9866 64.2924 36.7974 177.8479 132 D 4.3354 8.0208 118.5524 57.4621 41.0757 177.4408 133 Y 4.1619 8.2704 120.0885 60.8160 38.7437 178.4029 134 L 3.7124 7.9340 119.6138 57.9207 41.8029 179.2094 135 E 3.9445 8.5357 118.8149 59.6996 29.2011 179.8031 136 T 3.8547 7.4808 115.7989 66.4585 68.5945 176.8967 137 Q 3.8549 7.5912 119.8997 58.8807 28.2243 178.9438 138 L 3.8440 7.7935 119.8818 57.8348 41.8160 179.8135 139 G 3.6646 8.1514 105.6373 47.9030 0.0000 175.5553 140 L 4.2141 8.0315 121.1124 57.3006 41.7674 179.4769 141 I 3.5774 7.3255 120.1456 64.3644 36.7204 178.4048 142 Q 4.0063 7.5438 117.2729 58.3943 28.5134 178.3447 143 K 4.2390 7.3694 117.1270 58.1912 32.7917 178.6251 144 V 4.1777 7.9196 109.7329 59.9796 32.9684 177.0806 145 G 4.0749 7.6366 105.4167 45.7572 0.0000 174.3148 146 L 3.9562 8.5322 122.6537 58.2285 42.1141 179.5116 147 E 4.0184 8.1265 117.9377 59.2426 29.4950 178.8440 148 N 4.2997 8.1110 116.1077 56.4916 38.5137 176.4191 149 Y 3.9485 7.9441 119.4693 60.9503 39.1514 178.1189 150 L 4.1181 8.3533 119.7729 57.4933 41.7927 179.1759 151 Q 3.9043 8.0138 119.7458 59.3565 28.8639 178.4119 152 S 4.2842 7.9290 113.4019 60.2209 62.9658 174.5209 153 H 4.7111 7.5430 118.8721 55.7051 29.6065 176.1860 154 M 4.1737 8.0171 121.3401 57.7108 31.9221 176.3045 155 H 5.2202 7.5707 113.3327 53.8115 31.2728 174.5141 156 E 4.1455 8.6203 120.2827 56.8227 29.3734 176.9206 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 3 G 8.35 3.84 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 0.00 0.00 0.00 4 D 8.50 4.19 0.00 2.87 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 5 K 8.81 4.03 0.00 1.84 1.76 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.46 7.81 6 K 8.36 3.93 0.00 1.90 1.49 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.49 7.81 7 V 7.99 3.61 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 1.07 0.00 0.00 1.00 0.00 0.00 8 I 7.69 3.67 1.98 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 1.52 0.64 0.90 0.00 0.00 9 Q 7.92 3.93 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 10 H 8.23 4.12 0.00 3.45 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.58 4.00 0.00 1.79 1.73 0.95 0.94 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 12 N 8.79 4.36 0.00 2.94 2.86 0.00 0.00 6.74 6.81 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 13 K 8.13 3.90 0.00 1.90 2.03 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 14 I 8.06 3.69 2.00 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 1.72 1.04 0.91 0.00 0.00 15 L 8.39 4.08 0.00 1.73 1.91 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.91 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 17 N 8.24 4.38 0.00 2.93 2.87 0.00 0.00 7.05 7.49 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 18 E 8.13 4.00 0.00 2.00 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 2.49 2.53 0.00 19 L 8.00 3.93 0.00 1.82 1.67 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.46 3.64 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.91 0.85 0.00 0.00 21 A 7.75 3.31 0.89 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 0.00 0.00 22 I 7.97 3.60 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.84 0.86 0.00 0.00 23 N 7.77 4.37 0.00 2.75 2.83 0.00 0.00 6.75 7.41 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 24 Q 8.02 3.89 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.53 2.26 0.00 25 Y 8.15 4.64 0.00 3.10 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 26 F 8.55 3.94 0.00 3.35 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 27 L 8.21 3.99 0.00 1.91 1.71 0.89 0.79 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 28 H 8.11 3.76 0.00 3.45 2.96 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.42 4.38 0.00 3.91 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 30 R 7.78 4.01 0.00 1.98 1.88 0.00 2.95 0.00 0.00 2.52 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 31 M 7.90 3.47 0.00 0.71 1.57 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.10 0.00 32 W 7.70 4.61 0.00 3.74 3.39 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 33 N 8.12 4.35 0.00 2.88 2.85 0.00 0.00 6.62 8.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.71 4.41 0.00 2.62 2.64 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 35 W 8.19 4.82 0.00 3.72 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 0.00 36 G 8.67 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 37 L 8.21 4.81 0.00 2.17 1.64 1.24 1.07 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 38 K 8.43 4.12 0.00 2.06 1.86 0.00 1.66 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 R 7.89 3.98 0.00 2.03 1.86 0.00 3.16 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 40 L 7.71 3.75 0.00 1.30 0.13 0.27 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.25 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 42 A 7.78 3.96 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 43 H 8.25 4.09 0.00 3.25 3.27 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.40 4.00 0.00 2.56 2.41 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 2.76 2.72 0.00 45 Y 8.36 4.02 0.00 3.01 3.08 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 46 H 8.33 4.17 0.00 3.38 3.22 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.92 3.89 0.00 1.89 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.03 0.00 48 S 8.29 4.26 0.00 4.06 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.48 3.64 1.83 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.48 0.84 0.00 0.00 50 D 8.22 4.31 0.00 2.82 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 51 E 7.94 4.12 0.00 2.08 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 2.64 2.69 0.00 52 M 8.07 3.99 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 53 K 7.89 3.99 0.00 1.91 1.81 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.59 7.81 54 H 7.95 4.24 0.00 3.38 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.23 3.95 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 56 D 8.02 4.31 0.00 2.87 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.03 4.01 0.00 2.01 1.86 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.66 7.81 58 L 7.92 4.00 0.00 1.91 1.72 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.02 3.77 2.03 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 1.52 0.86 0.92 0.00 0.00 60 E 8.21 4.02 0.00 2.04 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 2.34 2.32 0.00 61 R 7.99 4.00 0.00 2.10 2.15 0.00 3.31 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 8.24 3.71 2.09 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 1.53 0.53 0.94 0.00 0.00 63 L 8.02 3.97 0.00 1.98 1.78 0.93 0.93 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 64 F 8.48 4.26 0.00 2.95 3.34 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 65 L 7.72 4.01 0.00 1.62 1.59 0.96 0.81 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 66 E 8.07 3.73 0.00 1.98 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 2.18 2.17 0.00 67 G 7.97 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.03 4.55 0.00 1.60 1.60 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.26 0.00 2.03 2.00 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 70 N 9.59 4.68 0.00 2.59 2.87 0.00 0.00 7.13 8.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.23 4.55 0.00 1.62 1.64 0.91 0.95 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 72 Q 8.16 4.04 0.00 2.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 7.97 4.52 0.00 2.68 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 74 L 8.12 4.36 0.00 1.55 1.57 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.33 3.87 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 0.00 0.00 0.00 76 K 8.39 4.36 0.00 1.69 1.72 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.50 7.81 77 L 8.38 4.20 0.00 1.64 1.55 0.94 0.97 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 78 L 8.16 4.53 0.00 1.68 1.64 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.89 4.17 1.88 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 1.34 0.76 0.91 0.00 0.00 80 G 8.62 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 81 E 8.81 4.76 0.00 2.01 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 0.00 2.27 2.50 0.00 82 N 7.76 5.11 0.00 2.86 2.81 0.00 0.00 6.26 7.22 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 83 T 8.67 4.43 4.46 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 1.57 0.00 0.00 84 Q 8.20 3.99 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 85 E 8.81 4.06 0.00 2.34 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 86 M 8.23 3.94 0.00 1.40 2.19 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 1.90 0.00 87 L 8.03 4.17 0.00 1.92 1.74 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.12 3.98 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 89 C 8.21 4.25 0.00 3.40 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 0.00 90 D 8.10 4.62 0.00 3.04 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 91 L 8.32 3.97 0.00 1.81 1.85 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.44 4.31 0.00 2.95 2.88 0.00 0.00 6.62 6.31 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 93 L 7.84 3.95 0.00 2.03 2.00 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.58 4.08 0.00 2.07 2.06 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 2.67 2.54 0.00 95 L 7.98 4.09 0.00 1.91 1.74 0.94 0.77 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 96 K 8.13 4.00 0.00 1.91 2.01 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 8.19 4.01 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 98 T 8.51 3.84 4.59 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 0.00 0.00 1.23 0.00 0.00 99 K 7.68 3.91 0.00 2.00 2.02 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 100 D 7.98 4.40 0.00 2.78 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 0.00 101 L 8.02 3.98 0.00 2.06 1.74 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.73 3.97 0.00 2.00 1.98 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 103 E 8.32 3.91 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 104 A 8.38 3.52 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.70 3.65 2.02 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 1.41 0.81 0.93 0.00 0.00 106 V 7.72 3.58 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 1.00 0.00 0.00 0.94 0.00 0.00 107 H 8.36 4.11 0.00 3.33 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.12 4.12 0.00 3.19 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 0.00 109 E 8.28 3.89 0.00 2.13 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 0.00 2.37 2.44 0.00 110 Q 7.68 3.96 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 111 V 7.07 3.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.93 0.00 0.00 112 H 7.28 3.06 0.00 3.12 3.16 0.00 5.66 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.45 4.54 0.00 2.71 2.48 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 0.00 114 Y 7.42 4.34 0.00 3.10 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 0.00 115 V 7.82 3.68 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 1.09 0.00 0.00 0.99 0.00 0.00 116 S 8.21 4.18 0.00 4.07 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 0.00 117 R 8.11 3.92 0.00 1.94 2.22 0.00 3.27 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 118 D 8.00 4.32 0.00 3.16 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 L 7.94 3.92 0.00 1.91 1.80 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.99 3.98 0.00 1.93 1.71 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.34 3.96 0.00 1.93 1.92 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.35 7.81 122 D 8.09 4.34 0.00 2.96 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 0.00 123 I 7.63 3.53 1.99 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 1.22 0.85 0.76 0.00 0.00 124 L 8.15 3.92 0.00 1.82 1.87 0.94 1.15 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 0.00 125 E 8.08 3.92 0.00 2.13 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 2.33 2.34 0.00 126 S 7.86 4.19 0.00 3.95 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 0.00 127 E 8.59 4.14 0.00 2.16 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 0.00 2.59 2.54 0.00 128 E 8.61 4.10 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 129 E 8.36 4.08 0.00 2.26 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 2.37 2.35 0.00 130 H 8.15 4.45 0.00 3.24 3.51 0.00 5.61 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.91 3.74 2.07 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 1.44 0.53 0.94 0.00 0.00 132 D 8.02 4.34 0.00 2.97 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 8.27 4.16 0.00 3.16 3.25 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 0.00 134 L 7.93 3.71 0.00 2.09 1.66 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.54 3.94 0.00 1.95 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 2.32 2.56 0.00 136 T 7.48 3.85 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 137 Q 7.59 3.85 0.00 1.89 1.87 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 1.26 1.98 0.00 138 L 7.79 3.84 0.00 1.88 1.62 0.84 0.82 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 0.00 139 G 8.15 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.03 4.21 0.00 1.89 1.90 1.02 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.33 3.58 1.79 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 0.76 0.13 0.78 0.00 0.00 142 Q 7.54 4.01 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 143 K 7.37 4.24 0.00 1.79 1.86 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.65 7.81 144 V 7.92 4.18 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 0.78 0.00 0.00 1.18 0.00 0.00 145 G 7.64 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.53 3.96 0.00 1.76 1.69 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 0.00 147 E 8.13 4.02 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 148 N 8.11 4.30 0.00 3.08 2.89 0.00 0.00 6.75 7.48 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 0.00 149 Y 7.94 3.95 0.00 3.03 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 0.00 150 L 8.35 4.12 0.00 1.77 1.74 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.01 3.90 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 152 S 7.93 4.28 0.00 3.76 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 0.00 153 H 7.54 4.71 0.00 2.98 3.05 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.02 4.17 0.00 1.92 1.81 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.43 0.00 155 H 7.57 5.22 0.00 3.09 3.15 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.62 4.15 0.00 1.95 1.85 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 2.30 2.29 0.00