NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 S 4.1576 8.1885 115.2897 58.1842 62.0227 173.2954 *16 A 4.4197 7.7635 116.4033 51.9480 20.9707 178.6646 17 L 3.9800 7.9782 113.6052 59.0079 40.8182 179.7341 18 S 4.0073 7.6575 114.9939 60.8288 62.4608 176.2367 19 T 3.8099 7.9536 111.9135 65.1082 68.3672 175.2278 20 Q 3.8575 7.5567 121.8626 58.8181 28.7160 178.3068 21 L 4.0050 7.9396 120.3036 58.5734 42.2754 178.6520 22 I 3.8175 7.8869 119.5901 64.6656 36.9853 178.0231 23 E 4.0795 8.5919 120.2158 59.1344 29.2778 178.2082 24 S 4.6066 8.5447 109.8491 58.9282 62.3042 174.2339 25 V 4.3239 7.4888 118.1374 62.3574 33.4738 177.1676 26 D 4.2936 8.3801 119.1498 57.3303 40.9888 178.1676 27 K 4.0017 7.9704 117.0121 59.9315 32.4083 178.1704 28 Q 3.9294 8.2560 118.8566 59.4632 28.6436 178.0831 29 S 4.0741 8.1267 113.4573 62.0699 62.5106 176.4298 30 H 4.1898 8.3264 118.6240 59.0649 28.3908 177.2530 31 L 3.9330 8.0584 120.4252 58.1989 41.5195 179.3786 32 E 3.8743 8.2347 117.5316 60.0325 29.1996 179.0017 33 E 3.9530 7.7035 118.5763 59.1800 30.0570 178.4582 34 Q 4.1061 8.2259 117.5733 58.9452 28.9207 178.5211 35 L 3.8741 8.1319 121.4164 58.7897 41.8523 178.7493 36 N 3.9254 8.0123 114.3919 56.3953 38.6994 177.1978 37 K 4.1612 8.5330 120.2073 59.0906 32.4640 179.1745 38 S 4.1097 7.9991 113.8641 61.7278 62.6208 176.1369 39 L 4.0177 8.7105 124.2425 56.8235 41.5497 178.3071 40 K 3.9560 8.1989 118.8374 59.0384 32.4711 178.3638 41 T 4.1217 7.9371 116.7297 66.2834 68.5200 176.8170 42 I 3.7021 7.7447 114.5095 63.9349 37.3891 177.8982 43 A 4.1171 7.4751 121.0665 54.0887 18.1651 179.1502 44 S 4.3365 7.7608 112.4274 61.2078 63.9269 176.2731 45 Q 4.1486 8.0256 120.0502 57.2814 28.6053 177.0692 46 K 3.5008 8.2083 116.5500 60.1007 31.9895 177.4648 47 A 4.5394 8.6172 120.5041 54.9639 18.7117 179.2859 48 A 3.9609 8.0487 116.8776 55.5097 18.5443 178.9819 49 I 3.9829 7.9820 116.6138 63.6888 38.2054 177.4669 50 E 4.1064 8.7480 119.8911 59.4125 29.0144 178.0746 51 N 4.9552 8.3152 114.5128 53.6393 39.5533 175.6324 52 Y 4.5195 8.4120 123.5990 58.8568 39.9112 177.1593 53 N 4.3391 8.2669 116.8264 56.4100 38.7963 176.4364 54 Q 3.9358 7.7535 120.9709 59.5137 28.9323 178.1593 55 L 3.9272 7.8999 120.1428 58.3770 41.9395 178.5195 56 K 3.5926 8.1816 119.2965 59.6306 31.9252 178.0090 57 E 3.9185 9.3856 119.2388 59.7561 29.6125 178.0534 58 D 4.3503 8.6773 120.3387 56.8255 40.8357 178.1066 59 Y 4.0395 8.9423 120.1993 61.0733 38.6232 178.6178 60 N 4.3345 8.3335 116.0986 56.4800 38.7281 176.8647 61 T 3.9939 8.0433 111.4896 65.0319 68.5432 175.4736 62 L 3.8693 8.2087 123.9211 57.6873 41.8346 178.6845 63 K 3.6271 7.5663 117.8333 59.6014 32.1496 178.5826 64 R 4.5693 7.8997 119.5175 58.7058 30.2406 178.3527 65 E 4.0215 8.1956 117.8098 59.6954 29.4248 179.3279 66 L 3.9591 7.9445 120.3065 57.9913 40.6986 178.9514 67 S 4.2250 7.9952 113.5881 60.4679 62.6185 175.5982 68 D 4.4383 7.6295 122.0122 56.5608 41.6496 178.0847 69 R 4.7145 8.2778 120.6932 59.0634 29.8852 178.1957 70 D 4.3028 8.1962 118.4089 57.3230 40.8117 178.0402 71 D 4.3299 7.4971 116.8214 57.4110 41.1157 178.1286 72 E 3.9202 8.4180 119.2036 59.6267 29.5656 179.4821 73 V 3.5690 8.2102 118.4614 66.0065 31.5206 178.2421 74 K 3.9618 8.2003 118.2227 59.4008 31.9525 179.2361 75 R 3.9115 8.0856 119.0854 59.4562 29.8701 178.6244 76 L 4.0168 8.2994 119.1047 57.6803 41.4315 179.3287 77 R 3.8245 7.6926 117.1237 59.8401 30.2382 177.9222 78 E 3.9143 8.1122 118.1045 59.5648 29.6302 178.2882 79 D 4.3858 8.3745 118.1674 57.7120 41.2387 178.9207 80 I 3.8837 8.7387 118.4732 62.9779 37.7693 177.4398 81 A 4.2234 8.0225 121.3292 54.8543 18.7725 179.4044 82 K 4.0232 7.9997 116.8424 59.4384 32.3231 178.7090 83 E 3.8680 8.0766 119.0421 59.7212 29.5408 178.9208 84 N 4.3583 7.8410 115.2942 56.6240 38.8780 176.3264 85 E 4.1866 7.9279 115.3934 57.1642 29.4492 176.9144 86 L 4.5722 7.3770 119.3124 56.1150 44.2955 178.7245 87 R 3.9637 8.4108 118.6176 59.4717 29.8783 178.5689 88 T 3.8256 7.9843 113.0633 65.1023 67.3635 176.4632 89 K 3.9755 7.9417 119.7528 59.3577 32.0360 178.7497 90 A 3.9617 8.4228 121.4458 55.4180 18.5032 179.3103 91 E 3.8421 8.5935 116.8732 59.8356 29.4769 179.3116 92 E 4.0205 8.0439 119.3117 59.0034 29.7970 178.3141 93 E 3.8962 8.5622 118.1954 59.6716 29.5105 179.2418 94 A 4.1557 7.9413 119.4802 54.8891 18.4113 178.4074 95 D 4.5388 7.4784 114.5453 56.4551 41.9654 178.1863 96 K 3.5696 8.5244 120.4601 59.1496 31.8081 177.2369 97 L 4.3457 8.1439 118.1801 55.1414 41.9582 176.4601 98 N 4.7942 8.7759 115.3403 53.8591 39.6969 175.8764 99 K 4.1276 7.4798 120.4194 60.0836 32.5350 178.0920 100 E 3.9266 8.2898 118.2744 59.4561 29.0767 179.5340 101 V 3.5707 7.8956 117.7973 66.2963 31.4641 177.4315 102 E 3.8602 7.6169 117.7799 60.3830 29.0677 177.9803 103 D 4.4932 8.7814 119.0108 55.5573 40.7869 179.4474 104 L 3.4490 8.1258 119.1017 57.3432 43.4459 179.1177 105 T 3.9600 8.2762 110.1490 64.9921 68.4539 176.1132 106 A 4.0152 9.4848 123.6576 55.3201 18.4820 179.3347 107 S 4.2118 8.2329 112.8070 61.8404 62.8532 176.5180 108 L 3.8394 8.2187 122.9261 58.6621 41.8781 179.4186 109 F 3.9472 8.6695 117.5854 60.2819 38.8548 177.1858 110 D 4.3191 8.9432 118.7531 57.2425 40.8737 177.6706 111 E 3.9117 8.1776 118.2402 60.5026 29.7437 178.7912 112 A 3.6496 7.8637 117.0651 55.9324 18.3823 179.6562 113 N 4.0090 8.4919 110.9933 55.5221 38.9871 177.1334 114 N 4.2578 8.3868 116.3286 54.9506 39.9056 177.2209 *116 V 4.0434 7.9730 119.3075 62.1126 33.9949 177.7532 117 A 3.8815 8.6606 120.9365 55.1996 18.7435 178.8084 118 D 4.3003 8.9563 117.5707 57.7521 40.8509 178.9572 119 A 4.0044 8.0349 120.0134 55.8201 18.3825 179.6832 120 R 3.9163 8.1134 115.9380 59.3425 30.0386 179.6251 121 K 4.0359 8.1694 118.3336 59.4939 32.0211 179.1135 122 E 4.2234 8.0845 117.1183 58.5707 29.4957 178.8817 123 K 4.1814 7.7099 120.0393 58.9300 32.5400 177.4529 124 Y 4.9091 8.1335 121.0156 60.3971 38.6511 177.6668 125 A 3.9259 8.5392 121.3616 55.7544 18.3830 179.2601 126 I 3.5651 7.8931 116.4082 65.0624 37.1368 178.4216 127 E 3.8130 8.8188 119.5553 59.7447 29.2556 179.7599 128 I 3.5732 7.6538 119.8630 64.2331 37.1479 178.1628 129 L 3.8927 7.7370 119.1755 58.2860 41.4844 179.2183 130 N 4.2375 8.1924 116.6650 56.5900 38.8107 176.7330 131 K 3.8540 7.7784 119.6461 60.5802 32.1253 178.5371 132 R 4.0002 8.2277 118.1891 58.4077 29.8379 178.5356 133 L 3.8946 8.4607 118.4263 58.8126 41.8411 179.8746 134 T 3.8800 8.4732 115.4582 66.4843 68.2597 175.6745 135 E 4.2739 7.7555 119.2739 57.8567 30.3325 177.8219 136 Q 4.0187 8.7333 119.4467 58.2184 29.1818 177.2343 137 L 4.2462 8.0676 121.2426 57.5799 42.2632 178.1929 138 R 3.8119 7.5638 118.6358 60.1344 30.4669 177.5056 139 E 3.9246 8.6714 118.4320 59.0466 29.3426 179.1348 140 K 3.8569 7.9952 117.3366 60.2081 32.2560 178.8486 141 D 4.4834 8.2181 117.1241 57.0087 40.7821 178.8432 142 T 4.1054 8.5015 117.3135 66.3383 68.6432 176.5540 143 L 3.9458 7.9633 120.4477 58.0477 41.6714 179.3597 144 L 3.9528 7.8778 119.7903 58.1698 41.8130 177.9203 145 D 4.6205 7.5624 115.0347 54.9746 40.8816 176.8948 146 T 4.4079 7.3612 115.8803 65.2837 70.2053 176.2057 147 L 3.9527 8.4461 121.0333 58.4368 41.5894 179.7000 148 T 3.8249 7.9528 115.3495 66.6118 68.3790 176.0152 149 L 4.1109 7.6847 121.3212 57.4058 42.1223 178.4392 150 Q 3.9950 8.3578 117.7715 59.7977 28.9468 178.2542 151 L 3.9559 8.7762 120.4581 56.5303 41.2206 180.4218 152 K 4.3795 7.9939 122.3516 59.3441 33.6486 177.9709 153 N 4.5142 8.2656 117.0012 55.8714 38.3793 177.4251 154 L 4.2191 8.7974 121.6245 57.0374 41.7718 178.8382 155 K 4.0265 7.9077 114.9083 57.3883 32.0405 176.3216 156 K 4.4305 8.1425 119.3058 58.0589 34.1083 178.0940 157 V 3.7973 7.1945 115.7532 63.6339 30.5252 176.1039 *159 H 4.9769 8.1097 112.9433 55.1626 29.6273 173.8686 160 S 4.5056 7.7654 111.2365 59.5429 64.6462 175.1884 161 L 3.8113 7.5903 121.5153 56.1832 41.6786 177.4049 162 D 4.5134 8.2409 125.6653 54.9165 40.9348 176.6275 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 14 S 8.19 4.16 0.00 3.87 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 *16 A 7.76 4.42 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 17 L 7.98 3.98 0.00 1.88 1.94 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.66 4.01 0.00 3.95 3.90 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 19 T 7.95 3.81 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 1.21 0.00 0.00 20 Q 7.56 3.86 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 21 L 7.94 4.01 0.00 1.64 1.90 0.92 1.40 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 22 I 7.89 3.82 1.99 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 1.40 1.13 0.91 0.00 0.00 23 E 8.59 4.08 0.00 1.99 2.14 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 2.31 2.32 0.00 24 S 8.54 4.61 0.00 3.85 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 25 V 7.49 4.32 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 0.90 0.00 0.00 0.95 0.00 0.00 26 D 8.38 4.29 0.00 2.81 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 27 K 7.97 4.00 0.00 1.78 1.88 0.00 1.83 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.53 7.81 28 Q 8.26 3.93 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 29 S 8.13 4.07 0.00 3.91 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 30 H 8.33 4.19 0.00 3.44 3.31 0.00 5.69 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 31 L 8.06 3.93 0.00 1.86 1.73 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.23 3.87 0.00 2.15 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 2.42 2.36 0.00 33 E 7.70 3.95 0.00 1.93 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 34 Q 8.23 4.11 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.47 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 35 L 8.13 3.87 0.00 1.69 1.82 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.01 3.93 0.00 3.08 2.90 0.00 0.00 7.16 7.23 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 37 K 8.53 4.16 0.00 1.93 1.83 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 38 S 8.00 4.11 0.00 4.03 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 39 L 8.71 4.02 0.00 1.69 1.84 0.92 -0.12 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 40 K 8.20 3.96 0.00 1.90 1.97 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.51 7.81 41 T 7.94 4.12 4.41 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 1.20 0.00 0.00 42 I 7.74 3.70 1.86 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 1.65 0.57 0.95 0.00 0.00 43 A 7.48 4.12 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 44 S 7.76 4.34 0.00 4.04 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 45 Q 8.03 4.15 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 46 K 8.21 3.50 0.00 1.90 1.66 0.00 1.56 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.56 7.81 47 A 8.62 4.54 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 48 A 8.05 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.98 3.98 1.92 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 0.95 0.00 0.00 50 E 8.75 4.11 0.00 2.21 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 2.36 2.51 0.00 51 N 8.32 4.96 0.00 2.69 2.85 0.00 0.00 6.77 7.04 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 52 Y 8.41 4.52 0.00 3.01 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 53 N 8.27 4.34 0.00 2.83 2.91 0.00 0.00 6.74 7.74 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 54 Q 7.75 3.94 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 55 L 7.90 3.93 0.00 1.66 1.51 0.90 0.41 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 56 K 8.18 3.59 0.00 1.35 1.78 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.44 7.81 57 E 9.39 3.92 0.00 2.08 2.14 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 2.31 2.37 0.00 58 D 8.68 4.35 0.00 2.82 2.68 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 59 Y 8.94 4.04 0.00 3.01 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 60 N 8.33 4.33 0.00 2.97 2.90 0.00 0.00 7.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.04 3.99 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 1.27 0.00 0.00 62 L 8.21 3.87 0.00 1.76 1.62 0.87 0.34 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 63 K 7.57 3.63 0.00 1.51 1.90 0.00 1.58 0.00 0.00 1.32 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.47 7.81 64 R 7.90 4.57 0.00 2.05 1.92 0.00 3.20 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 65 E 8.20 4.02 0.00 1.93 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 2.38 2.31 0.00 66 L 7.94 3.96 0.00 1.66 1.74 0.87 0.96 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 67 S 8.00 4.23 0.00 4.10 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 68 D 7.63 4.44 0.00 2.89 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 69 R 8.28 4.71 0.00 1.98 1.93 0.00 3.18 0.00 0.00 3.47 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 70 D 8.20 4.30 0.00 2.89 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 71 D 7.50 4.33 0.00 2.76 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 72 E 8.42 3.92 0.00 2.23 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 2.32 2.59 0.00 73 V 8.21 3.57 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.96 0.00 0.00 74 K 8.20 3.96 0.00 2.07 1.83 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.61 7.81 75 R 8.09 3.91 0.00 2.01 2.12 0.00 3.08 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 76 L 8.30 4.02 0.00 1.71 1.69 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.69 3.82 0.00 1.97 2.01 0.00 3.18 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 78 E 8.11 3.91 0.00 2.05 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 2.31 2.36 0.00 79 D 8.37 4.39 0.00 2.86 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 80 I 8.74 3.88 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 1.45 1.35 0.97 0.00 0.00 81 A 8.02 4.22 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 82 K 8.00 4.02 0.00 1.91 1.85 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.71 7.81 83 E 8.08 3.87 0.00 2.20 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 2.41 0.00 84 N 7.84 4.36 0.00 2.97 2.79 0.00 0.00 7.25 7.53 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 85 E 7.93 4.19 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 86 L 7.38 4.57 0.00 1.91 1.64 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.41 3.96 0.00 1.83 1.93 0.00 3.09 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 88 T 7.98 3.83 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 1.23 0.00 0.00 89 K 7.94 3.98 0.00 1.92 1.84 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.69 1.45 7.81 90 A 8.42 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.59 3.84 0.00 2.19 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 2.34 2.61 0.00 92 E 8.04 4.02 0.00 2.33 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 2.30 2.39 0.00 93 E 8.56 3.90 0.00 2.05 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 2.34 2.50 0.00 94 A 7.94 4.16 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 95 D 7.48 4.54 0.00 2.91 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 96 K 8.52 3.57 0.00 1.81 1.81 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.47 7.81 97 L 8.14 4.35 0.00 1.59 1.90 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.78 4.79 0.00 2.88 2.93 0.00 0.00 7.01 6.56 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 99 K 7.48 4.13 0.00 1.99 1.92 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.47 7.81 100 E 8.29 3.93 0.00 2.05 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 2.41 2.61 0.00 101 V 7.90 3.57 2.24 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 1.05 0.00 0.00 0.98 0.00 0.00 102 E 7.62 3.86 0.00 1.97 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 2.33 2.40 0.00 103 D 8.78 4.49 0.00 2.86 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 0.00 104 L 8.13 3.45 0.00 1.74 1.66 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.28 3.96 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 106 A 9.48 4.02 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 0.00 107 S 8.23 4.21 0.00 4.07 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 0.00 108 L 8.22 3.84 0.00 1.85 1.94 0.84 1.29 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 0.00 109 F 8.67 3.95 0.00 3.45 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 0.00 110 D 8.94 4.32 0.00 2.79 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 0.00 111 E 8.18 3.91 0.00 1.97 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 2.36 2.50 0.00 112 A 7.86 3.65 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 0.00 113 N 8.49 4.01 0.00 3.02 2.84 0.00 0.00 7.19 7.00 0.00 0.00 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 N 8.39 4.26 0.00 3.00 2.86 0.00 0.00 6.77 7.24 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 *116 V 7.97 4.04 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 0.98 0.00 0.00 0.92 0.00 0.00 117 A 8.66 3.88 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 0.00 118 D 8.96 4.30 0.00 2.74 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 0.00 119 A 8.03 4.00 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 0.00 120 R 8.11 3.92 0.00 1.96 2.02 0.00 3.30 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 121 K 8.17 4.04 0.00 2.02 1.89 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.61 7.81 122 E 8.08 4.22 0.00 2.14 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 2.49 0.00 123 K 7.71 4.18 0.00 1.80 2.00 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 124 Y 8.13 4.91 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 0.00 125 A 8.54 3.93 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 0.00 126 I 7.89 3.57 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 1.63 0.62 0.89 0.00 0.00 127 E 8.82 3.81 0.00 1.89 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 2.32 2.54 0.00 128 I 7.65 3.57 1.92 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 -0.01 0.82 0.00 0.00 129 L 7.74 3.89 0.00 1.75 1.72 0.90 0.72 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 0.00 130 N 8.19 4.24 0.00 2.74 2.95 0.00 0.00 7.13 6.72 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 0.00 131 K 7.78 3.85 0.00 1.93 1.84 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.64 7.81 132 R 8.23 4.00 0.00 2.06 1.85 0.00 3.13 0.00 0.00 3.14 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 133 L 8.46 3.89 0.00 1.66 1.74 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 134 T 8.47 3.88 4.40 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 1.20 0.00 0.00 135 E 7.76 4.27 0.00 2.05 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 2.24 2.40 0.00 136 Q 8.73 4.02 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 137 L 8.07 4.25 0.00 1.96 1.72 0.92 0.67 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 0.00 138 R 7.56 3.81 0.00 1.96 2.12 0.00 3.33 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 1.65 1.72 0.00 139 E 8.67 3.92 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 140 K 8.00 3.86 0.00 1.86 1.89 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.73 1.51 7.81 141 D 8.22 4.48 0.00 2.75 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 0.00 142 T 8.50 4.11 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 143 L 7.96 3.95 0.00 1.79 1.74 0.92 0.51 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 0.00 144 L 7.88 3.95 0.00 1.73 1.66 0.92 1.35 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 0.00 145 D 7.56 4.62 0.00 2.83 2.68 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 0.00 146 T 7.36 4.41 4.43 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 0.00 0.00 0.00 1.21 0.00 0.00 147 L 8.45 3.95 0.00 1.69 1.73 0.96 0.97 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 0.00 148 T 7.95 3.82 4.29 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 1.21 0.00 0.00 149 L 7.68 4.11 0.00 1.74 1.67 0.92 0.69 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 0.00 150 Q 8.36 3.99 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 151 L 8.78 3.96 0.00 1.67 1.59 0.92 0.99 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 0.00 152 K 7.99 4.38 0.00 1.77 1.99 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.54 7.81 153 N 8.27 4.51 0.00 3.05 2.85 0.00 0.00 7.04 6.63 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 0.00 154 L 8.80 4.22 0.00 1.60 1.69 0.92 0.74 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 0.00 155 K 7.91 4.03 0.00 1.71 1.83 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.44 7.81 156 K 8.14 4.43 0.00 1.83 1.93 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.34 7.81 157 V 7.19 3.80 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 0.90 0.00 0.00 1.00 0.00 0.00 *159 H 8.11 4.98 0.00 3.23 3.33 0.00 5.69 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 S 7.77 4.51 0.00 3.92 3.97 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 0.00 161 L 7.59 3.81 0.00 1.67 1.58 0.92 1.20 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 0.00 162 D 8.24 4.51 0.00 2.65 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 * Residues marked with a * may have inaccurate shift predictions.