NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5754 8.1776 116.7967 59.0451 64.1910 174.8824 3 T 4.0415 8.7162 113.9394 61.6783 68.1984 172.4618 4 I 2.0000 7.2586 122.5821 60.9001 38.9759 175.0529 5 P 4.3144 0.0000 0.0000 62.6825 31.9360 176.7066 6 S 4.3662 8.5091 115.2536 59.6749 63.8167 173.5780 7 E 4.8249 7.7399 120.4851 54.6176 31.2127 176.1539 8 I 3.8830 8.4365 123.8798 63.4504 37.5932 176.1791 9 I 4.3604 7.3464 119.3069 58.9688 39.8924 175.4832 10 N 4.5506 9.0103 124.5706 52.3682 38.6447 175.7466 11 W 4.1240 8.4719 128.9727 59.1200 29.1462 178.2675 12 T 4.0891 7.9564 108.7956 64.1790 68.1658 176.2601 13 I 3.9851 7.5714 122.4691 63.9422 37.5160 177.7143 14 L 3.9175 7.6721 120.7930 58.0438 41.7664 178.5820 15 N 4.4767 8.8095 117.0729 56.5503 38.2712 177.1558 16 E 4.0658 7.8363 118.2854 59.0469 29.6652 178.9762 17 I 4.1372 7.6304 119.7342 64.1602 37.4284 178.1576 18 I 3.9197 8.1603 121.0111 64.3098 36.7665 178.2946 19 S 4.3977 8.4068 116.3128 61.5904 62.3563 175.7165 20 M 4.5738 7.5322 118.8424 55.4445 32.0106 176.8703 21 D 5.2430 8.6222 120.6986 55.8773 41.5067 178.3157 22 D 4.3878 7.6976 117.8141 57.1721 40.7726 177.2523 23 D 4.7008 7.8987 114.4534 54.0729 41.7993 176.3438 24 D 4.4535 7.8085 120.2081 53.0193 42.2650 175.3960 25 S 4.2846 8.8331 121.3745 61.0091 62.6119 175.1999 26 D 5.0125 7.8692 117.8183 54.4812 40.9663 178.5268 27 F 4.5775 8.0474 121.9250 61.0516 39.5795 176.2072 28 S 3.6642 9.2622 113.9667 61.3469 63.0345 176.5355 29 K 3.7272 8.2971 122.6825 58.7010 31.9219 178.8532 30 G 3.5998 8.2217 106.7263 47.2972 0.0000 175.8091 31 L 3.8536 7.5070 120.7689 57.7086 41.6848 179.1690 32 I 3.6800 7.5280 119.5744 64.8974 37.1266 178.5170 33 I 3.8088 7.6617 119.7729 63.7868 36.8696 178.3899 34 Q 3.9691 7.9749 121.0084 59.0213 28.9537 177.7373 35 F 4.1264 8.6973 122.0884 61.5144 39.3019 177.0895 36 I 3.9533 7.9998 119.3750 64.3515 36.8471 177.8719 37 D 4.3049 7.6744 118.1698 56.9810 41.1003 178.3105 38 Q 3.8944 7.9155 118.3687 58.8407 28.7305 178.4920 39 A 3.1499 7.6151 121.8728 55.1475 17.7224 179.7426 40 Q 3.8308 7.2552 116.2761 59.2916 28.6709 179.3440 41 T 3.9314 7.4493 116.6615 66.5122 68.5408 177.1113 42 T 3.8831 7.8220 111.8337 64.4893 68.9026 176.6851 43 F 4.4948 7.8077 120.5276 60.7460 38.9552 177.5976 44 A 4.0385 7.8265 119.4969 55.1470 17.9828 179.7604 45 Q 3.9674 8.0531 116.8206 59.2580 28.7431 178.7140 46 M 4.1736 8.7367 120.2462 58.4036 31.8747 178.5961 47 Q 4.0082 8.4241 119.9007 58.9277 29.2379 178.0790 48 R 3.9049 8.0704 119.9071 58.8081 29.9403 178.2205 49 Q 4.0750 7.5961 118.2450 58.7521 28.9969 177.4917 50 L 3.9311 7.6230 118.7750 57.8200 41.7628 178.0660 51 D 4.7271 7.8000 116.0676 54.6559 42.8875 177.0336 52 G 3.8940 7.8544 102.6519 45.6990 0.0000 173.8451 53 E 3.9358 9.5743 122.8581 57.1184 30.8211 175.5796 54 K 3.7693 7.8480 116.9664 57.1704 30.4512 175.8237 55 N 4.6719 7.6386 117.0373 52.4123 39.8144 174.1485 56 L 4.1093 8.4034 128.8496 57.5352 41.6927 179.5910 57 T 3.8928 8.3662 116.5736 66.3876 68.3727 176.2732 58 E 3.9356 8.3975 120.0406 59.8487 29.6889 179.5770 59 L 4.0322 7.8320 117.8366 57.2910 41.5565 179.3273 60 D 4.2611 7.7372 118.5719 57.3800 41.1637 177.9555 61 N 4.3922 8.3973 117.2748 56.3359 38.6375 177.4284 62 L 4.1318 8.3862 120.9346 57.8688 41.5963 179.9090 63 G 3.6763 8.1047 105.2941 47.7916 0.0000 175.3654 64 H 4.2002 8.2431 120.6509 59.0410 30.0159 176.8577 65 F 4.0093 8.4843 122.7568 61.4967 39.2753 176.9870 66 L 3.7695 8.0380 119.3987 57.6356 41.8106 178.8731 67 K 4.0642 7.8669 120.1420 59.0117 32.1668 179.1855 68 G 3.3538 7.6265 106.1793 47.8012 0.0000 175.5639 69 S 3.9316 7.4023 118.1417 61.3630 62.7916 177.1358 70 S 3.4175 7.8770 116.1739 61.3278 62.3853 176.3545 71 A 3.8409 7.8813 124.1659 54.4722 17.7818 179.4692 72 A 3.9236 7.4076 119.5005 54.7762 18.5509 178.2713 73 L 4.1145 7.2229 111.9654 54.5084 42.0711 177.4082 74 G 3.6985 7.6034 106.3921 45.9536 0.0000 174.0052 75 L 4.6095 7.6063 122.9060 53.4047 40.1289 177.1957 76 Q 4.1860 8.2526 119.9199 57.9798 29.1036 178.2762 77 R 4.1576 7.8578 120.0347 58.7914 30.4323 178.5140 78 I 3.9052 7.8064 119.1660 64.2645 37.1444 178.1371 79 A 4.0090 7.9341 121.5928 54.8192 18.3309 179.3264 80 W 4.1020 8.1516 126.5978 60.8589 30.7028 178.4123 81 V 3.7121 8.1316 117.9417 66.1777 30.9933 177.7956 82 C 4.1188 8.2524 116.6885 62.7163 27.9431 175.5983 83 E 3.8702 8.3515 121.0659 59.2689 29.0857 179.2223 84 R 3.6882 7.4573 117.9212 59.0514 30.0839 178.8360 85 I 3.5914 7.7923 119.8473 64.4671 37.1698 178.3761 86 Q 3.8907 8.0947 118.6405 59.2145 28.6454 178.5682 87 N 4.2928 8.0903 117.2776 56.4054 38.4038 177.5710 88 L 4.1804 8.4123 120.9973 57.4688 41.4919 179.3670 89 G 3.6447 7.8420 106.5839 47.3248 0.0000 174.3468 90 R 4.2237 7.5473 116.8887 55.0704 30.6090 176.1269 91 K 3.3400 6.9221 116.5758 57.7415 30.0648 175.4642 92 M 4.4526 7.9235 116.6821 55.3191 33.5550 176.5635 93 E 4.8014 7.7536 116.5557 54.9787 33.1910 174.9808 94 H 5.1499 8.9153 115.8048 55.2356 30.8591 172.8214 95 F 5.0694 7.8026 113.3444 55.4602 40.8275 173.3166 96 F 4.3774 8.4516 121.9979 55.6005 42.0964 172.4911 97 P 4.4854 0.0000 0.0000 62.4381 31.9064 176.2766 98 N 4.7745 8.3327 117.1953 52.3505 40.8369 176.3791 99 K 3.9437 8.5888 122.7319 60.2364 32.1409 179.0347 100 T 3.8490 7.9102 115.3566 66.6232 68.1888 175.9244 101 E 3.9124 8.0663 119.4645 59.2590 29.9909 178.5048 102 L 4.0154 7.6698 118.9603 57.8259 41.3132 179.6220 103 V 3.6502 8.3964 118.2440 65.6503 31.1466 177.0167 104 N 4.5091 7.7687 115.2917 55.3768 38.9855 175.5523 105 T 4.1102 7.6293 108.9431 62.8137 69.5580 175.2042 106 L 4.1005 7.1874 122.2504 55.1864 42.1477 177.0708 107 S 4.1551 9.1283 118.9206 60.7049 62.2946 173.9315 108 D 4.6662 7.8195 119.4590 52.5562 43.1547 175.2390 109 K 4.2990 8.5950 125.2260 56.8723 32.9216 178.8629 110 S 4.1712 8.5827 116.8004 61.0036 62.8524 176.1443 111 I 3.9131 7.2173 119.5879 62.6393 37.8362 176.0748 112 I 4.4287 7.4844 113.1295 60.6135 37.4600 175.1606 113 N 4.4140 8.0189 119.9302 55.2653 38.5472 176.3673 114 G 3.9898 9.1098 112.8686 45.0217 0.0000 173.1630 115 I 4.1560 6.8938 111.5442 59.6144 39.2447 175.2291 116 N 4.7271 8.0148 120.4411 51.6035 38.4115 175.4609 117 I 3.7365 8.3599 119.5127 62.8460 37.6728 176.3429 118 D 4.8760 7.8774 120.3270 54.2569 41.3159 177.4532 119 E 3.9210 8.8861 121.9068 59.7933 29.3674 178.1711 120 D 4.7659 7.8520 113.8072 53.9711 41.3229 176.4622 121 D 4.6405 7.6629 120.6222 54.4010 41.2896 175.5816 122 E 4.5141 8.7170 123.4873 54.3477 30.9620 175.9293 123 E 3.8813 8.6259 124.1823 56.4542 30.1400 176.6848 124 I 4.0381 8.3675 129.6453 61.2935 36.7183 177.3638 125 K 4.6079 8.3634 134.7437 54.0933 31.7108 174.5387 126 I 4.6646 7.1555 119.3889 59.0296 39.8894 178.0768 *131 K 4.3882 8.5207 122.7638 54.2764 33.9363 175.7896 132 D 4.4758 6.9640 115.4512 53.9191 44.7280 176.5729 133 E 4.0053 8.9606 123.7427 59.0196 29.9324 177.4951 134 N 4.8830 8.4066 114.6702 54.3070 39.5769 176.9695 135 S 4.1073 7.7583 115.6929 61.9917 62.8439 176.4546 136 I 3.7536 7.6362 120.2867 63.8312 37.8123 177.2812 137 Y 4.0760 8.0353 117.9432 60.6245 37.7336 177.8889 138 L 4.0816 7.9503 119.6802 57.7085 41.7024 179.3493 139 I 3.7826 7.7582 119.7354 64.1029 37.0495 178.2257 140 L 4.1768 7.7931 119.2120 57.1113 41.5055 179.4291 141 I 3.5289 7.8674 119.9190 64.2354 37.1006 178.2806 142 A 3.9228 7.9950 121.4063 54.7350 17.9460 179.8814 143 K 3.9576 7.7371 117.0186 59.4729 32.2625 179.4009 144 A 3.0543 7.3797 120.8891 54.4236 17.9678 179.5019 145 L 3.7611 7.9438 119.4454 58.2934 41.8172 178.8945 146 N 4.2369 7.6874 115.5399 55.7990 38.3855 176.9732 147 Q 4.2130 7.7815 121.1986 58.6731 29.1456 178.0766 148 S 4.2248 7.9540 116.5832 61.5510 62.9830 176.6844 149 R 3.7559 7.8087 121.0203 58.9964 29.7095 178.9482 150 L 4.0351 7.6348 118.9459 58.2331 42.1536 178.8861 151 E 4.0995 8.5319 118.6788 59.0961 29.3607 179.0513 152 F 4.5721 8.6490 121.0265 61.4135 39.4795 177.0542 153 K 3.7438 8.0763 118.7466 59.6056 32.0162 178.7777 154 L 3.9730 8.0490 118.8528 57.4638 41.4611 179.4028 155 A 4.0261 8.0122 121.1482 55.0089 18.3737 179.9307 156 R 3.7074 7.8698 116.5080 59.4186 29.9393 179.1560 157 I 3.5663 7.4226 118.2252 64.5948 36.9856 177.9147 158 E 4.1563 8.1986 119.8289 59.0812 29.4739 178.5914 159 L 4.2463 7.9927 118.8840 57.2996 41.5312 179.1815 160 S 4.4657 8.0026 116.7834 61.0047 62.5106 176.6239 161 K 3.7068 7.4184 119.8761 58.9728 31.6933 177.7730 162 Y 4.6069 7.8531 114.6951 58.1945 39.5373 176.0247 163 Y 4.2406 8.0376 115.3963 56.7961 38.3952 175.1755 164 N 4.7953 7.7968 115.8652 53.6923 36.8084 173.7602 165 T 4.5077 7.2997 108.7476 60.7201 70.6754 172.1221 166 N 4.5496 8.6114 124.1254 53.1007 38.4054 174.8999 167 L 4.5805 8.8462 126.2624 55.0278 41.8795 177.1260 168 H 4.4598 7.8730 120.6864 55.7797 28.6079 173.0564 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 S 8.18 4.58 0.00 4.45 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 0.00 3 T 8.72 4.04 4.30 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 0.00 0.00 0.00 1.27 0.00 0.00 4 I 7.26 2.00 0.56 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.06 0.51 0.00 0.00 5 P 0.00 4.31 0.00 2.00 1.92 0.00 3.45 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 6 S 8.51 4.37 0.00 4.03 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 7 E 7.74 4.82 0.00 1.97 1.95 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 2.25 2.28 0.00 8 I 8.44 3.88 1.90 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 1.43 0.88 0.92 0.00 0.00 9 I 7.35 4.36 1.25 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.49 -0.25 0.00 0.00 10 N 9.01 4.55 0.00 2.76 2.61 0.00 0.00 6.96 5.12 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 11 W 8.47 4.12 0.00 3.41 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 12 T 7.96 4.09 4.28 0.00 0.00 0.00 0.00 0.00 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 13 I 7.57 3.99 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.91 0.83 0.00 0.00 14 L 7.67 3.92 0.00 1.41 1.30 0.86 -0.46 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 15 N 8.81 4.48 0.00 3.03 2.94 0.00 0.00 6.98 7.20 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 16 E 7.84 4.07 0.00 2.08 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 2.42 0.00 17 I 7.63 4.14 2.02 0.00 0.00 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 1.81 0.89 0.84 0.00 0.00 18 I 8.16 3.92 2.14 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.94 0.99 0.00 0.00 19 S 8.41 4.40 0.00 4.08 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 20 M 7.53 4.57 0.00 1.73 2.33 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 21 D 8.62 5.24 0.00 2.98 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 22 D 7.70 4.39 0.00 2.71 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 23 D 7.90 4.70 0.00 2.57 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 24 D 7.81 4.45 0.00 2.56 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 25 S 8.83 4.28 0.00 3.91 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.87 5.01 0.00 2.75 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 27 F 8.05 4.58 0.00 3.18 3.38 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 28 S 9.26 3.66 0.00 4.11 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 0.00 29 K 8.30 3.73 0.00 2.14 1.95 0.00 1.81 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.64 7.81 30 G 8.22 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.51 3.85 0.00 1.59 1.55 0.54 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 32 I 7.53 3.68 1.74 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 1.32 0.48 0.76 0.00 0.00 33 I 7.66 3.81 1.94 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 1.39 0.79 0.91 0.00 0.00 34 Q 7.97 3.97 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 35 F 8.70 4.13 0.00 3.07 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 36 I 8.00 3.95 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.81 1.03 0.00 0.00 37 D 7.67 4.30 0.00 2.83 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 38 Q 7.92 3.89 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 39 A 7.62 3.15 -0.23 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 0.00 0.00 0.00 0.00 0.00 40 Q 7.26 3.83 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 41 T 7.45 3.93 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 1.12 0.00 0.00 42 T 7.82 3.88 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 1.28 0.00 0.00 43 F 7.81 4.49 0.00 2.90 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 44 A 7.83 4.04 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 45 Q 8.05 3.97 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 46 M 8.74 4.17 0.00 2.04 2.32 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.57 0.00 47 Q 8.42 4.01 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 48 R 8.07 3.90 0.00 2.16 1.97 0.00 3.12 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 49 Q 7.60 4.07 0.00 2.39 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.51 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 50 L 7.62 3.93 0.00 1.82 1.73 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.80 4.73 0.00 2.61 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.85 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 0.00 0.00 0.00 53 E 9.57 3.94 0.00 1.93 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 0.00 2.28 2.32 0.00 54 K 7.85 3.77 0.00 1.91 1.86 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.60 7.81 55 N 7.64 4.67 0.00 2.72 2.85 0.00 0.00 7.29 6.54 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 56 L 8.40 4.11 0.00 1.68 1.82 0.92 0.78 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 57 T 8.37 3.89 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 1.19 0.00 0.00 58 E 8.40 3.94 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 2.39 2.43 0.00 59 L 7.83 4.03 0.00 1.71 1.70 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.74 4.26 0.00 2.84 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 61 N 8.40 4.39 0.00 2.89 2.87 0.00 0.00 7.10 7.36 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 62 L 8.39 4.13 0.00 1.68 1.74 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.10 3.68 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 0.00 0.00 0.00 64 H 8.24 4.20 0.00 3.59 3.52 0.00 5.80 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 65 F 8.48 4.01 0.00 3.06 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 66 L 8.04 3.77 0.00 1.99 1.66 0.82 0.03 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 67 K 7.87 4.06 0.00 1.89 1.93 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.43 7.81 68 G 7.63 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 0.00 0.00 0.00 69 S 7.40 3.93 0.00 3.79 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 70 S 7.88 3.42 0.00 4.06 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 71 A 7.88 3.84 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.41 3.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.22 4.11 0.00 1.27 1.42 0.64 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.60 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 4.61 0.00 1.56 1.54 0.56 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.25 4.19 0.00 2.39 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 77 R 7.86 4.16 0.00 1.91 2.16 0.00 3.11 0.00 0.00 3.55 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 78 I 7.81 3.91 2.11 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.71 1.15 0.00 0.00 79 A 7.93 4.01 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 80 W 8.15 4.10 0.00 3.53 3.43 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 0.00 81 V 8.13 3.71 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 1.15 0.00 0.00 1.46 0.00 0.00 82 C 8.25 4.12 0.00 3.22 3.18 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 83 E 8.35 3.87 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 84 R 7.46 3.69 0.00 1.78 1.77 0.00 2.21 0.00 0.00 2.69 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.94 0.00 85 I 7.79 3.59 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 1.34 0.54 0.91 0.00 0.00 86 Q 8.09 3.89 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 87 N 8.09 4.29 0.00 2.66 2.79 0.00 0.00 7.16 6.68 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 88 L 8.41 4.18 0.00 1.82 1.77 0.81 0.89 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 89 G 7.84 3.64 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 0.00 90 R 7.55 4.22 0.00 1.91 1.89 0.00 3.26 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 91 K 6.92 3.34 0.00 1.53 1.46 0.00 1.42 0.00 0.00 1.41 0.00 0.00 2.70 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 0.79 7.81 92 M 7.92 4.45 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.69 0.00 93 E 7.75 4.80 0.00 1.81 1.70 0.00 0.00 0.00 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 2.23 0.00 94 H 8.92 5.15 0.00 3.25 3.39 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 7.80 5.07 0.00 3.16 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 96 F 8.45 4.38 0.00 2.85 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 97 P 0.00 4.49 0.00 1.82 1.94 0.00 2.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.24 0.00 98 N 8.33 4.77 0.00 2.79 2.75 0.00 0.00 6.44 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 99 K 8.59 3.94 0.00 1.87 1.85 0.00 1.88 0.00 0.00 1.98 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.61 7.81 100 T 7.91 3.85 4.25 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 1.21 0.00 0.00 101 E 8.07 3.91 0.00 1.95 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 2.27 2.39 0.00 102 L 7.67 4.02 0.00 1.83 1.78 0.76 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.40 3.65 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 1.00 0.00 0.00 1.01 0.00 0.00 104 N 7.77 4.51 0.00 3.04 2.80 0.00 0.00 7.21 9.03 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 0.00 105 T 7.63 4.11 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 1.13 0.00 0.00 106 L 7.19 4.10 0.00 1.80 1.67 0.97 0.86 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 0.00 107 S 9.13 4.16 0.00 3.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 7.82 4.67 0.00 2.75 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 0.00 109 K 8.59 4.30 0.00 1.86 1.81 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.45 7.81 110 S 8.58 4.17 0.00 4.10 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 0.00 111 I 7.22 3.91 1.90 0.00 0.00 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 1.38 0.63 0.96 0.00 0.00 112 I 7.48 4.43 1.88 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 1.51 0.80 0.92 0.00 0.00 113 N 8.02 4.41 0.00 2.92 2.80 0.00 0.00 7.15 7.46 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 0.00 114 G 9.11 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 0.00 115 I 6.89 4.16 2.05 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 1.20 0.70 0.93 0.00 0.00 116 N 8.01 4.73 0.00 2.89 2.76 0.00 0.00 7.25 7.70 0.00 0.00 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 I 8.36 3.74 1.89 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 1.43 0.72 0.93 0.00 0.00 118 D 7.88 4.88 0.00 2.72 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 0.00 119 E 8.89 3.92 0.00 1.89 2.06 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.26 1.01 7.81 132 D 6.96 4.48 0.00 2.86 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.96 4.01 0.00 2.00 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 2.37 2.38 0.00 134 N 8.41 4.88 0.00 3.07 2.92 0.00 0.00 6.90 6.97 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 0.00 135 S 7.76 4.11 0.00 4.02 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 0.00 136 I 7.64 3.75 1.75 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 1.46 0.94 0.43 0.00 0.00 137 Y 8.04 4.08 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.95 4.08 0.00 1.86 1.72 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.76 3.78 1.98 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 1.51 1.55 0.91 0.00 0.00 140 L 7.79 4.18 0.00 1.67 1.71 0.86 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.87 3.53 1.89 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 1.38 0.79 0.85 0.00 0.00 142 A 8.00 3.92 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 0.00 143 K 7.74 3.96 0.00 1.96 2.00 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.24 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.63 7.81 144 A 7.38 3.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.94 3.76 0.00 1.65 1.55 0.65 0.87 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 0.00 146 N 7.69 4.24 0.00 3.03 3.02 0.00 0.00 6.67 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 0.00 147 Q 7.78 4.21 0.00 2.37 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.77 2.66 0.00 148 S 7.95 4.22 0.00 3.83 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 0.00 149 R 7.81 3.76 0.00 1.70 1.91 0.00 3.15 0.00 0.00 2.95 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.35 0.00 150 L 7.63 4.04 0.00 1.83 1.86 0.95 0.98 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 0.00 151 E 8.53 4.10 0.00 2.32 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 2.76 2.62 0.00 152 F 8.65 4.57 0.00 3.49 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 0.00 153 K 8.08 3.74 0.00 1.93 1.98 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 154 L 8.05 3.97 0.00 1.92 1.73 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 155 A 8.01 4.03 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.87 3.71 0.00 1.73 1.75 0.00 3.14 0.00 0.00 2.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.12 0.00 157 I 7.42 3.57 1.83 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 1.29 0.48 0.91 0.00 0.00 158 E 8.20 4.16 0.00 2.21 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 0.00 2.45 2.69 0.00 159 L 7.99 4.25 0.00 1.84 1.79 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 160 S 8.00 4.47 0.00 4.14 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 0.00 161 K 7.42 3.71 0.00 0.79 1.23 0.00 1.44 0.00 0.00 1.54 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.34 1.40 7.81 162 Y 7.85 4.61 0.00 3.19 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 0.00 163 Y 8.04 4.24 0.00 3.12 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 0.00 164 N 7.80 4.80 0.00 2.84 2.88 0.00 0.00 6.61 7.30 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 0.00 165 T 7.30 4.51 4.30 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 0.00 0.00 0.00 1.39 0.00 0.00 166 N 8.61 4.55 0.00 2.82 2.72 0.00 0.00 6.91 6.66 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 0.00 167 L 8.85 4.58 0.00 1.80 1.62 0.82 0.83 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 0.00 168 H 7.87 4.46 0.00 3.02 3.04 0.00 5.59 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 * Residues marked with a * may have inaccurate shift predictions.