NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.3439 7.9127 120.6778 63.1817 33.6830 173.8827 3 T 4.9571 9.3399 119.9207 59.5128 70.3211 172.1852 4 F 5.0909 10.1363 130.2871 57.9725 43.4053 173.9522 5 L 3.3018 8.6474 129.1780 55.9821 39.0644 175.3720 6 G 3.9678 8.5584 102.1836 46.0643 0.0000 173.4752 7 N 5.0849 7.7777 116.2909 50.2068 42.7074 172.1590 8 P 4.9669 0.0000 0.0000 63.2330 31.9546 175.8624 9 V 4.7601 8.7072 116.2310 59.5824 35.2551 174.3841 10 S 4.6603 9.0427 116.3745 56.7378 66.9258 172.3342 11 F 5.1482 8.4122 117.2429 56.3764 42.8636 173.9601 12 T 4.4592 8.5530 117.1496 63.1625 70.9396 175.2770 13 G 3.8835 8.9392 113.4179 44.6736 0.0000 172.1117 14 K 4.3946 8.0306 116.9847 55.4795 34.1656 175.9845 15 Q 4.5781 8.0041 119.5261 54.1242 30.1830 175.9369 16 L 4.2409 8.4435 121.5042 55.3586 42.4577 176.2126 17 Q 4.7409 9.3949 119.8598 53.3760 32.7098 175.0119 18 V 3.9849 8.2323 118.6019 64.7907 31.7397 174.2864 19 G 4.2215 9.3848 116.3145 46.0893 0.0000 174.0216 20 D 4.6109 8.1837 118.6234 53.9468 42.2804 175.5445 21 K 4.8014 8.3402 121.5429 54.9257 33.5380 176.0902 22 A 4.0748 8.7740 130.1380 51.9124 18.8039 177.4900 23 L 3.9273 7.3394 123.5398 54.3297 42.2389 176.7174 24 D 4.4751 8.3597 122.6985 54.6425 42.5523 174.1855 25 F 4.9767 7.4114 114.4512 56.2691 41.3669 173.1018 26 S 5.1151 8.9345 113.1519 56.8798 64.1126 172.5419 27 L 4.9040 9.3193 127.3160 52.9469 45.6294 175.9116 28 T 4.5924 8.0652 118.2661 63.2605 70.1288 175.4841 29 T 4.5791 9.1875 122.7282 61.0184 68.9466 174.7219 30 T 3.9861 8.4247 115.5505 64.0160 67.4209 174.8080 31 D 4.8036 7.9253 119.3658 53.1553 39.6107 177.2273 32 L 3.7165 7.7910 117.7157 55.6620 40.4368 174.8462 33 S 4.5736 7.9937 114.2327 57.5465 64.8285 173.4758 34 K 4.8460 8.3971 122.0898 55.7996 33.5806 175.8367 35 K 5.0057 9.4812 124.0947 54.7858 36.4882 175.4455 36 S 5.6994 9.3302 117.3243 55.2593 66.7680 174.6063 37 L 3.8217 8.5418 121.1177 58.0524 42.2002 178.6808 38 A 4.7300 7.4939 120.5938 54.7629 18.2366 179.0769 39 D 4.3443 7.3035 113.5206 56.4945 40.7441 177.5070 40 F 4.9330 7.9746 117.0574 56.9690 39.9633 175.0065 41 D 4.4248 8.4129 122.2048 55.8201 41.0209 177.4903 42 G 4.1366 8.9767 108.8404 45.7451 0.0000 173.2442 43 K 4.9127 7.6361 116.6786 54.4176 36.9313 175.5307 44 K 4.7279 9.4975 122.5340 55.3902 34.3469 176.0117 45 K 5.0179 8.6589 121.2733 54.6873 36.7225 175.7758 46 V 4.5365 8.4699 123.6520 61.1542 33.1632 174.4932 47 L 4.4704 8.8185 129.7853 54.1168 42.6553 175.9764 48 S 4.9523 9.0554 120.5616 56.3580 64.7474 172.7195 49 V 4.8134 8.8944 127.7625 61.2807 33.7548 174.7706 50 V 4.7680 8.3880 119.8407 59.0320 35.6017 174.9583 51 P 4.2962 0.0000 0.0000 64.2423 31.6764 177.1938 52 S 4.6963 7.3874 107.6761 57.5708 64.8934 176.2650 53 I 3.8998 8.9194 120.5780 62.2442 37.1207 175.9074 54 D 4.9018 8.1851 120.9239 54.6388 40.9801 176.6297 55 T 4.8600 7.6987 110.0508 59.0568 72.9453 174.2950 56 G 3.9366 8.8158 109.3455 48.8890 0.0000 175.8838 57 I 3.8099 7.7261 121.8082 63.9964 37.2128 178.3750 58 C 4.2297 8.0919 117.0606 62.6825 27.9737 176.0003 59 S 4.3229 8.3417 114.9639 61.7488 62.0081 176.3530 60 T 3.9754 8.1228 118.5878 66.4748 68.1025 176.3244 61 Q 4.2455 8.3038 121.5013 59.7611 29.1839 178.6747 62 T 3.9836 7.8152 116.2259 66.7576 68.4742 176.3969 63 R 4.1603 8.5800 120.5810 59.6052 30.1337 178.2487 64 R 3.8095 8.4809 118.6077 59.6183 29.4971 178.5882 65 F 4.6275 8.4903 117.4637 60.8551 38.7234 177.4364 66 N 4.5008 8.1840 114.8924 56.3257 38.6253 177.2045 67 E 4.1528 8.4406 119.9155 59.5159 29.5773 178.8721 68 E 4.3088 8.4626 115.8989 57.6611 29.8368 177.3624 69 L 4.7753 7.6556 116.6505 53.9672 43.5594 178.1951 70 A 4.0345 8.1581 123.5268 55.1930 18.3662 179.0757 71 G 3.8647 8.0612 102.2909 45.6201 0.0000 172.6993 72 L 4.5170 7.4432 121.8970 52.7594 42.3474 176.1784 73 D 4.4765 8.4470 126.2195 55.3322 41.5919 176.8518 74 N 4.3597 8.9408 116.8565 54.0936 36.5325 173.5568 75 T 5.3471 7.5890 114.1030 61.5863 71.5336 173.8311 76 V 4.4615 9.1691 125.1466 59.8278 34.9350 174.8883 77 V 4.4650 8.3650 122.9431 61.5397 32.6256 174.4827 78 L 4.3975 8.1106 128.7686 53.5779 43.3017 175.8752 79 T 4.8899 8.1219 120.8869 61.6543 70.6959 174.1277 80 V 4.4627 8.4437 126.1282 59.8629 34.7544 172.5207 81 S 4.8170 8.4361 124.7210 57.7260 67.5741 176.3852 *83 D 4.5874 8.8943 115.3646 53.6530 41.5754 174.8920 84 L 4.0512 8.0059 121.0920 53.7067 42.6576 176.3153 85 P 4.0565 0.0000 0.0000 66.1353 31.0659 179.0362 86 F 4.3208 7.1662 115.5580 60.3219 38.8420 177.4676 87 A 4.1072 8.2101 120.7776 55.3195 18.2279 179.7643 88 Q 3.9987 7.9979 116.1606 58.6886 28.8092 178.7270 89 K 4.0678 8.2738 122.2517 59.0272 32.2542 178.6860 90 R 3.9463 8.1262 119.0219 59.3367 29.9048 177.8245 91 W 4.1706 8.4270 127.8832 60.8284 30.6116 177.2446 92 C 4.1100 8.8256 116.6024 63.1186 27.7002 176.5837 93 G 3.7060 8.1745 106.4984 47.3131 0.0000 175.4527 94 A 3.9528 7.9056 122.3697 54.5569 18.5127 178.8476 95 E 3.9398 8.0241 114.6140 55.8634 29.6763 177.2355 96 G 3.8581 7.4578 106.5421 46.5361 0.0000 174.3853 97 L 4.8386 7.6411 116.8007 53.3818 41.9982 178.2679 98 D 4.3988 8.0321 119.8176 57.2307 41.3353 178.7010 99 N 4.5907 8.0702 113.8549 53.7621 39.2694 175.1523 100 A 4.2085 7.8761 120.7824 52.6870 19.1616 177.6331 101 I 4.1327 8.2701 121.3550 60.5282 39.6776 174.7917 *103 L 4.3769 8.1675 122.2612 54.7962 42.9581 176.0767 104 S 5.0826 8.5239 116.9679 56.7336 64.7972 173.6587 105 D 4.9193 8.4502 125.4292 54.0780 41.3410 177.6339 106 Y 4.2642 7.8632 118.3697 59.4902 38.2386 177.1481 107 F 3.4111 7.0020 121.4180 60.1928 39.2010 175.1835 108 D 4.6228 7.9009 117.8672 53.9371 43.3527 177.2032 109 H 4.8757 8.7865 114.0030 56.5720 27.2036 176.7382 110 S 4.1880 7.7708 117.1676 61.4423 62.5668 176.2765 111 F 4.2508 8.9175 124.4672 61.0763 39.1869 177.2273 112 G 3.6705 8.7297 105.3589 47.9727 0.0000 175.8408 113 R 3.9602 8.4316 120.7032 59.1079 29.9182 178.8623 114 D 4.3368 8.3974 117.8642 57.4162 40.9907 177.7921 115 Y 3.9810 8.0597 113.9306 57.0495 38.6198 175.0201 116 A 3.7566 7.5843 121.7253 53.8206 16.5827 177.6683 117 L 4.5100 8.3482 119.3588 55.2376 44.3351 177.1726 118 L 4.6473 8.0555 121.8989 54.4377 42.7221 176.4242 119 I 3.6400 8.7285 128.9741 61.3972 37.3326 177.2872 120 N 4.4521 8.6628 125.8496 56.4092 38.5841 176.5262 121 E 3.8979 7.9247 115.9815 57.8835 28.9511 177.2633 122 W 4.9762 7.5415 115.2867 55.0652 31.4302 174.9268 123 H 4.1380 8.9555 114.5528 57.0884 26.4267 174.1606 124 L 4.9082 7.2424 113.9865 52.7882 45.5042 175.8470 125 L 5.0438 8.2203 119.8786 53.9309 43.0915 176.6124 126 A 4.1913 8.8137 125.8596 51.5290 19.7303 177.2834 127 R 4.3163 8.5763 121.0413 56.7197 31.2843 175.3356 128 A 4.7694 8.7934 126.5516 51.1290 23.7211 174.9408 129 V 4.7678 7.8390 118.3621 61.5178 35.0960 174.0047 130 F 5.2916 9.8520 126.5500 55.7260 43.1829 174.8223 131 V 4.7063 8.8701 120.5767 61.5371 34.1482 174.0875 132 L 5.1523 9.0339 128.8240 53.4146 44.3026 177.1032 133 D 5.0664 8.5572 121.5891 53.5416 43.2394 176.8151 134 T 4.1894 8.3285 114.0324 66.4996 67.0802 175.1488 135 D 4.5811 8.1147 118.7226 54.2645 40.9263 176.4490 136 N 4.4085 8.1270 115.8955 54.4380 36.7555 173.5961 137 T 4.5102 7.1713 114.3215 62.6657 69.5599 174.2023 138 I 4.3571 8.7681 127.8432 61.7045 37.4314 176.6376 139 R 4.3841 8.8722 126.4270 56.8308 31.4592 176.2310 140 Y 4.8077 7.7150 119.3305 56.5607 42.2224 173.6015 141 V 4.3915 7.1093 117.6516 59.7909 36.4324 174.2361 142 E 4.0004 7.7845 124.1542 55.3004 32.8189 173.6504 143 Y 4.2466 8.2751 125.9941 55.7382 38.3227 174.8125 144 V 3.5279 7.8326 122.8060 63.5790 31.7756 175.3516 145 D 4.4762 9.1320 128.2730 57.5774 41.5160 176.0188 146 N 4.9219 8.1628 121.5220 51.9030 38.3548 175.0004 147 I 3.5547 8.6947 127.1550 64.1122 37.6020 177.0997 148 N 4.9707 7.7883 116.6346 53.2500 38.3684 174.8285 149 S 4.7549 7.7774 111.2015 56.1128 66.2959 173.5148 150 E 4.1285 8.5806 119.5194 55.6927 29.9555 175.2617 151 P 4.3566 0.0000 0.0000 62.0242 33.0342 175.3873 152 N 4.6337 9.1387 117.5922 52.4654 37.9809 175.7843 153 F 4.1739 8.6148 124.5722 60.7034 39.2370 176.5174 154 E 3.9097 8.5812 117.0980 59.8884 29.1407 179.0329 155 A 3.8916 8.4917 119.6576 55.3840 18.4979 179.1721 156 A 2.8987 7.4954 118.6235 55.3380 18.3874 179.9235 157 I 3.6143 8.3029 117.8510 64.5296 37.2258 178.4433 158 A 3.9220 8.4842 121.6717 55.2091 17.9706 179.6368 159 A 3.8139 8.1340 119.2228 55.2702 18.2349 179.7841 160 A 3.9199 7.7837 118.3185 55.0590 18.4358 179.8199 161 K 4.0560 8.4507 116.6103 59.6002 32.2894 179.2412 162 A 4.0889 8.0188 119.7860 54.2548 18.2826 177.6490 163 L 4.3128 7.4957 122.9522 55.3374 42.3531 175.8765 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 V 7.91 4.34 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 1.32 0.00 0.00 1.15 0.00 0.00 3 T 9.34 4.96 4.31 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 1.33 0.00 0.00 4 F 10.14 5.09 0.00 3.00 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 5 L 8.65 3.30 0.00 1.45 1.39 0.03 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.56 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 0.00 0.00 0.00 7 N 7.78 5.08 0.00 2.77 2.74 0.00 0.00 6.78 8.01 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 8 P 0.00 4.97 0.00 2.09 2.09 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 9 V 8.71 4.76 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 1.05 0.00 0.00 0.92 0.00 0.00 10 S 9.04 4.66 0.00 3.76 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 11 F 8.41 5.15 0.00 2.95 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 12 T 8.55 4.46 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 1.23 0.00 0.00 13 G 8.94 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 14 K 8.03 4.39 0.00 1.81 1.77 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.34 7.81 15 Q 8.00 4.58 0.00 1.60 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.02 0.00 16 L 8.44 4.24 0.00 1.87 1.69 0.38 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 9.39 4.74 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 18 V 8.23 3.98 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 0.85 0.00 0.00 0.89 0.00 0.00 19 G 9.38 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 20 D 8.18 4.61 0.00 2.78 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 21 K 8.34 4.80 0.00 1.72 1.66 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.47 7.81 22 A 8.77 4.07 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 23 L 7.34 3.93 0.00 1.04 1.49 0.56 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.36 4.48 0.00 2.57 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 25 F 7.41 4.98 0.00 3.29 3.46 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 26 S 8.93 5.12 0.00 3.87 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 27 L 9.32 4.90 0.00 1.49 1.52 0.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.07 4.59 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 29 T 9.19 4.58 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 30 T 8.42 3.99 4.26 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 1.24 0.00 0.00 31 D 7.93 4.80 0.00 2.80 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 32 L 7.79 3.72 0.00 1.90 1.90 1.07 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.99 4.57 0.00 3.90 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 34 K 8.40 4.85 0.00 1.71 1.70 0.00 1.39 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.61 7.81 35 K 9.48 5.01 0.00 1.77 1.89 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.64 7.81 36 S 9.33 5.70 0.00 3.90 3.89 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 37 L 8.54 3.82 0.00 1.25 1.50 0.90 1.29 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 38 A 7.49 4.73 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.30 4.34 0.00 1.95 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 0.00 0.00 0.00 40 F 7.97 4.93 0.00 3.28 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 41 D 8.41 4.42 0.00 2.69 2.59 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 0.00 42 G 8.98 4.14 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 0.00 0.00 0.00 43 K 7.64 4.91 0.00 1.88 1.71 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.65 7.81 44 K 9.50 4.73 0.00 1.63 1.84 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.53 7.81 45 K 8.66 5.02 0.00 1.72 1.54 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.23 1.35 7.81 46 V 8.47 4.54 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 0.57 0.00 0.00 0.83 0.00 0.00 47 L 8.82 4.47 0.00 1.70 1.73 0.67 0.56 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 48 S 9.06 4.95 0.00 3.53 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 49 V 8.89 4.81 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.10 0.00 0.00 50 V 8.39 4.77 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 0.89 0.00 0.00 0.80 0.00 0.00 51 P 0.00 4.30 0.00 2.02 1.89 0.00 3.76 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 52 S 7.39 4.70 0.00 3.78 3.65 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 53 I 8.92 3.90 1.11 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 1.04 0.64 0.24 0.00 0.00 54 D 8.19 4.90 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 55 T 7.70 4.86 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 56 G 8.82 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 0.00 0.00 0.00 57 I 7.73 3.81 1.93 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 1.69 0.91 1.02 0.00 0.00 58 C 8.09 4.23 0.00 3.23 2.89 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 59 S 8.34 4.32 0.00 4.36 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.12 3.98 4.45 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 1.17 0.00 0.00 61 Q 8.30 4.25 0.00 2.35 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.67 2.44 0.00 62 T 7.82 3.98 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 0.80 0.00 0.00 63 R 8.58 4.16 0.00 2.23 2.29 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 64 R 8.48 3.81 0.00 1.66 1.65 0.00 2.48 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.46 0.00 65 F 8.49 4.63 0.00 3.36 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 66 N 8.18 4.50 0.00 3.16 3.00 0.00 0.00 7.12 7.63 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 67 E 8.44 4.15 0.00 2.13 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 2.47 2.49 0.00 68 E 8.46 4.31 0.00 2.11 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 2.31 0.00 69 L 7.66 4.78 0.00 1.89 1.65 0.96 0.99 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 70 A 8.16 4.03 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 71 G 8.06 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 72 L 7.44 4.52 0.00 1.68 1.68 0.93 1.20 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 73 D 8.45 4.48 0.00 2.76 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 74 N 8.94 4.36 0.00 2.93 2.93 0.00 0.00 6.69 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 75 T 7.59 5.35 4.39 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 1.20 0.00 0.00 76 V 9.17 4.46 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 0.50 0.00 0.00 0.98 0.00 0.00 77 V 8.37 4.46 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 0.79 0.00 0.00 0.92 0.00 0.00 78 L 8.11 4.40 0.00 1.35 1.21 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.12 4.89 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 0.97 0.00 0.00 80 V 8.44 4.46 1.43 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 -0.05 0.00 0.00 0.02 0.00 0.00 81 S 8.44 4.82 0.00 3.93 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 *83 D 8.89 4.59 0.00 2.63 2.66 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 84 L 8.01 4.05 0.00 1.69 1.29 1.00 0.59 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 85 P 0.00 4.06 0.00 1.39 2.07 0.00 2.80 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.12 0.00 86 F 7.17 4.32 0.00 3.07 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.21 4.11 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 88 Q 8.00 4.00 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 89 K 8.27 4.07 0.00 1.97 2.07 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.37 7.81 90 R 8.13 3.95 0.00 2.02 2.19 0.00 3.21 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 91 W 8.43 4.17 0.00 3.58 3.45 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 92 C 8.83 4.11 0.00 3.31 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 93 G 8.17 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.91 3.95 1.25 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 0.00 0.00 95 E 8.02 3.94 0.00 1.16 1.42 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 1.47 1.47 0.00 96 G 7.46 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 97 L 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 F 7.00 3.41 0.00 2.14 2.78 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 0.00 0.00 0.00 108 D 7.90 4.62 0.00 2.85 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 H 8.79 4.88 0.00 3.43 3.46 0.00 5.82 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.77 4.19 0.00 3.98 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 0.00 111 F 8.92 4.25 0.00 3.11 3.35 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 0.00 112 G 8.73 3.67 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 0.00 0.00 0.00 113 R 8.43 3.96 0.00 2.05 2.01 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 114 D 8.40 4.34 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.87 4.71 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 0.98 0.00 0.00 0.86 0.00 0.00 132 L 9.03 5.15 0.00 1.64 1.60 0.98 0.85 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 0.00 133 D 8.56 5.07 0.00 2.78 2.59 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 0.00 134 T 8.33 4.19 4.26 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 1.23 0.00 0.00 135 D 8.11 4.58 0.00 2.72 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 0.00 136 N 8.13 4.41 0.00 2.95 2.93 0.00 0.00 6.99 7.14 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 0.00 137 T 7.17 4.51 4.26 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 1.31 0.00 0.00 138 I 8.77 4.36 2.12 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.10 1.12 0.00 0.00 139 R 8.87 4.38 0.00 1.89 2.03 0.00 3.38 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 140 Y 7.72 4.81 0.00 3.05 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 0.00 141 V 7.11 4.39 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 0.39 0.00 0.00 0.76 0.00 0.00 142 E 7.78 4.00 0.00 1.69 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 2.06 2.19 0.00 143 Y 8.28 4.25 0.00 2.80 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.83 3.53 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 0.82 0.00 0.00 0.91 0.00 0.00 145 D 9.13 4.48 0.00 2.68 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 0.00 146 N 8.16 4.92 0.00 2.89 2.76 0.00 0.00 7.11 7.82 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 0.00 147 I 8.69 3.55 2.29 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.18 0.94 0.00 0.00 148 N 7.79 4.97 0.00 2.74 2.82 0.00 0.00 6.76 7.45 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 0.00 149 S 7.78 4.75 0.00 3.98 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.58 4.13 0.00 2.30 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 2.35 2.37 0.00 151 P 0.00 4.36 0.00 1.97 1.99 0.00 3.52 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 0.49 1.64 0.00 152 N 9.14 4.63 0.00 2.71 2.90 0.00 0.00 7.66 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 F 8.61 4.17 0.00 3.12 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 8.58 3.91 0.00 2.19 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 2.48 2.40 0.00 155 A 8.49 3.89 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 0.00 156 A 7.50 2.90 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 8.30 3.61 1.94 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.23 0.95 0.00 0.00 158 A 8.48 3.92 1.35 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 0.00 0.00 0.00 159 A 8.13 3.81 1.04 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 0.00 0.00 160 A 7.78 3.92 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 0.00 161 K 8.45 4.06 0.00 1.84 1.88 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.64 7.81 162 A 8.02 4.09 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 0.00 163 L 7.50 4.31 0.00 1.73 1.54 0.94 0.93 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 * Residues marked with a * may have inaccurate shift predictions.