NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2995 8.2601 123.5883 51.5829 18.9771 176.4975 3 A 3.8436 8.4115 124.9665 52.2394 18.9763 171.7147 4 V 4.0087 8.8910 122.6324 62.0955 32.3174 174.3724 5 I 3.9138 8.8900 130.3210 63.9707 37.3006 176.7694 6 L 4.7312 7.5247 119.9412 53.0168 46.3056 175.4506 7 E 5.8851 8.6541 122.1034 55.6171 32.0590 174.0124 8 S 4.7172 9.0574 121.9115 57.0543 68.3427 172.9062 9 I 4.7102 7.9290 121.2449 60.0752 38.4556 175.1742 10 F 5.2050 8.8643 125.4804 55.4595 43.2357 173.6506 11 L 5.0320 8.5629 121.2349 53.2297 44.4559 175.3066 12 K 5.0461 8.9159 124.1206 55.1521 36.1981 175.1851 13 R 4.0006 8.2630 122.2794 54.9787 31.2472 176.0660 14 S 4.2708 7.9712 120.1598 58.6118 62.7755 174.2785 15 Q 4.1638 8.9766 124.0180 56.2887 29.0060 175.7982 16 Q 3.3034 7.6686 116.7358 56.3377 27.1053 175.6720 17 K 3.9190 8.2321 117.6151 59.6781 32.4194 178.4512 18 K 4.3225 7.6531 115.5041 55.9250 32.9538 177.5533 19 K 4.1649 8.5166 119.4520 59.7136 32.5897 179.0441 20 T 4.3436 7.5990 108.2004 61.5328 68.2470 174.9348 21 S 4.6354 7.5460 115.7424 56.9976 66.6356 173.1803 22 P 4.5036 0.0000 0.0000 62.4353 32.1803 176.7548 23 L 4.3747 8.1102 123.7104 53.5900 40.5597 174.7388 24 N 5.3073 7.6368 119.5941 50.8368 41.3217 174.3568 25 F 5.8683 8.8672 117.3975 55.0617 41.7158 175.3387 26 K 4.7746 8.4063 120.4910 54.4458 36.4985 175.4472 27 K 4.6708 8.6955 123.1582 56.4150 32.9130 176.5728 28 R 4.9826 9.2326 122.9012 54.5160 35.4907 173.7631 29 L 5.0035 9.2599 123.8548 54.0507 43.7083 175.1339 30 F 5.4439 9.7740 126.1054 56.2245 41.2993 174.9851 31 L 5.6200 9.3630 122.5128 52.9426 45.5128 175.2356 32 L 5.2417 9.1608 124.9509 53.7111 44.3714 175.4199 33 T 5.1486 8.9152 116.7561 59.4135 71.8227 175.7038 34 V 3.4120 8.4847 120.4737 64.3180 31.8860 176.7022 35 H 4.7962 7.8362 117.5786 57.4108 30.3130 175.3545 36 K 5.0870 8.6462 115.6650 54.8175 37.5738 175.4694 37 L 5.3625 8.8983 124.4725 53.6543 44.1293 175.2971 38 S 5.2766 9.1972 121.1791 56.5452 66.9238 172.5394 39 Y 5.2074 7.9105 118.4716 55.5173 41.1709 173.8416 40 Y 5.1969 8.9988 118.2073 55.8747 42.3960 174.2067 41 E 4.5331 8.9174 121.9262 56.4465 31.1267 174.5848 42 Y 4.7579 8.6139 127.4266 56.2708 40.4081 175.4375 43 D 4.4809 8.5059 127.8498 52.4460 39.9926 175.9345 44 F 3.9498 8.6265 126.2778 60.9180 39.1842 176.0743 45 E 3.9500 7.9963 117.7625 59.8613 29.5683 178.6706 46 R 3.8371 8.1928 119.4651 57.4042 30.6393 176.9770 47 G 3.6009 8.2075 105.5092 45.6882 0.0000 172.5262 48 R 4.7711 6.8079 113.7826 54.3425 33.6695 174.4586 49 R 4.4135 8.4488 116.2183 55.2280 30.1832 176.7719 50 G 4.3938 9.8506 117.1125 46.5897 0.0000 174.6313 51 S 4.6743 8.7517 120.1437 57.1704 64.6299 173.5858 52 K 3.6291 8.8898 124.6973 57.2023 31.8644 176.1352 53 K 4.3583 8.2205 124.8648 56.1321 34.5018 175.9220 54 G 3.0598 6.5197 104.9480 45.5577 0.0000 172.1415 55 S 5.0774 8.0706 112.9217 57.4721 65.6405 174.0923 56 I 4.5059 8.2406 124.5430 59.6859 41.6357 174.5294 57 D 4.7734 8.7312 127.3187 53.9562 41.6366 177.6952 58 V 3.6744 9.1050 124.5140 65.7970 31.6952 177.6955 59 E 5.0431 8.0642 115.4706 57.7521 29.0157 177.4185 60 K 4.3278 7.9889 118.7610 56.9492 32.7487 176.3269 61 I 4.5029 7.5734 121.6499 61.2436 37.6980 175.6482 62 T 4.5726 8.6420 114.7700 62.0829 71.1332 173.5674 63 C 4.9785 7.6289 120.2639 58.5188 35.0118 172.5218 64 V 4.9740 8.0322 124.2167 61.6066 34.1938 173.8764 65 E 4.7557 8.7873 125.3118 55.9486 34.8409 175.8525 66 T 4.5936 8.3402 111.4772 62.3795 70.0512 173.4918 67 V 4.3429 8.1889 117.8878 60.9240 33.6530 173.1567 68 V 3.5639 8.3728 125.0806 62.4539 31.6663 174.1678 69 P 4.8869 0.0000 0.0000 62.4178 32.0936 176.2556 70 E 4.1589 8.8329 121.7099 56.2817 30.0415 177.5888 71 K 4.1371 8.5988 123.1463 58.7923 32.9311 176.9142 72 N 4.9912 7.5876 114.3852 50.7719 38.6939 171.6645 73 P 4.2450 0.0000 0.0000 61.1271 32.7641 175.1485 74 P 4.4082 0.0000 0.0000 61.5685 32.0652 175.5752 75 P 4.1405 0.0000 0.0000 65.6206 31.3829 178.7327 76 E 3.9609 8.1556 118.4829 58.4839 29.3259 177.8076 77 R 4.8370 7.9589 115.3873 54.4904 31.4911 174.5943 78 Q 4.1837 7.4830 117.5438 54.7411 29.4900 176.0055 79 I 3.4623 7.9951 122.5863 61.6993 36.9552 175.7405 *89 M 4.2229 8.2665 124.3526 54.8344 34.2348 175.1347 90 E 3.9207 8.7352 125.5334 59.8798 29.5021 179.2459 91 Q 3.9712 8.1556 117.2878 59.5781 29.2359 178.7453 92 I 3.9823 7.6633 119.8987 64.3416 37.4127 178.2708 93 S 4.0802 7.8894 114.8750 61.4608 62.5069 175.9485 94 I 3.7944 7.8629 120.4943 62.1613 37.6745 175.9645 95 I 4.7713 7.4037 110.7614 60.9560 38.1140 175.7196 96 E 4.5806 7.8000 119.8344 56.6123 32.2328 175.6837 97 R 4.4678 7.7010 120.0210 54.5960 32.1764 175.3964 98 F 6.0102 8.9553 125.1432 53.9482 40.1600 173.0419 99 P 4.9339 0.0000 0.0000 61.8438 32.7888 175.5057 100 Y 4.8042 7.8650 119.6816 56.0084 38.6118 173.0654 101 P 4.8085 0.0000 0.0000 62.2365 32.9965 175.2514 102 F 5.0462 8.3404 115.2366 55.7487 41.8987 172.7796 103 Q 4.8777 9.9305 118.5970 54.3732 31.9911 174.7432 104 V 4.3905 8.3669 121.7919 61.3619 33.4792 174.1016 105 V 4.6470 9.1154 129.5910 62.2045 33.0111 174.4487 106 Y 5.3612 8.5734 124.4890 56.0286 41.0131 174.6149 107 D 4.4220 8.1052 116.1095 56.7059 39.6231 178.3584 108 E 3.8706 6.7929 119.8169 54.3714 28.5407 176.8751 109 G 3.6383 7.0288 109.8698 44.4598 0.0000 168.2883 110 P 5.0284 0.0000 0.0000 61.0278 33.6211 174.6530 111 L 4.4238 8.3439 124.8629 53.9151 43.6470 174.5156 112 Y 5.0091 8.3027 124.2244 56.7958 40.1574 174.7688 113 V 4.3798 8.1220 123.1953 60.8707 35.1723 173.9109 114 F 5.1122 9.7737 127.4493 55.8920 41.3025 175.2575 115 S 5.3547 9.0776 119.1963 57.2385 63.7190 173.2548 116 P 5.1352 0.0000 0.0000 63.8799 31.7398 177.3152 117 T 4.8495 7.6989 106.9318 59.2867 73.1753 174.4303 118 E 3.5092 7.9159 122.0409 59.0622 29.6750 178.8204 119 E 3.9181 8.0024 118.3543 59.3463 29.5172 178.9031 120 L 4.1414 7.8618 119.8284 58.3059 42.1490 179.0054 121 R 3.6862 7.8810 118.6772 58.9651 29.8928 178.5475 122 K 3.8475 7.8288 119.2497 59.4156 32.2663 178.9481 123 R 3.9069 8.0551 118.3233 59.0898 29.9901 179.1313 124 W 3.7585 8.4961 118.6305 59.9224 28.6957 178.7241 125 I 3.7008 7.7134 119.7365 64.5021 36.1236 178.0681 126 H 4.2088 8.3129 119.2780 59.2532 29.7355 177.3772 127 Q 3.8337 8.0989 119.8717 58.6754 28.5051 178.5276 128 L 4.0600 8.3526 120.5049 57.4577 41.5448 179.6230 129 K 3.9706 7.6310 117.6110 59.2701 31.7120 179.1537 130 N 4.1493 7.3488 116.0203 56.0649 38.1982 177.3709 131 V 3.3752 7.4260 119.5598 65.5427 31.7163 177.7524 132 I 3.8980 7.6380 111.6998 62.5122 37.4781 177.6311 133 R 4.0426 7.0827 120.1264 59.5680 29.7833 176.8097 134 Y 4.6758 6.8597 113.0341 57.6785 38.5159 175.2883 135 N 4.7977 8.0832 119.4790 52.5544 39.6545 176.4366 136 S 4.2620 8.5471 115.3602 60.8111 63.7551 174.5035 137 D 4.7070 7.5468 119.5051 52.5487 41.6334 174.6597 138 L 4.3225 7.8505 121.9151 54.0726 42.9466 177.2177 139 V 4.1337 7.9768 114.2897 60.8866 32.7255 177.0104 140 Q 4.1894 8.5281 121.1241 57.4214 29.1563 175.3836 141 K 5.3864 7.3652 115.2928 54.8892 36.1222 174.2395 142 Y 4.5323 8.4320 117.2803 57.0269 41.4599 173.1274 143 H 4.4871 8.1987 117.3376 53.8094 29.5334 174.8451 144 P 4.2834 0.0000 0.0000 64.3760 31.5625 175.9128 145 C 5.1499 7.0153 115.3058 57.2595 31.1363 174.0240 146 F 3.9368 8.6372 118.8486 57.7506 39.9569 174.7653 147 W 4.5816 8.9015 132.6478 55.8844 30.0672 174.5229 148 I 4.1123 7.3938 125.0217 59.8381 40.5547 174.8469 149 D 4.0264 8.3175 126.3401 55.2340 36.6432 175.9843 150 G 3.9952 7.2837 105.5496 45.6405 0.0000 172.9755 151 Q 4.4896 6.2085 115.0964 54.5221 31.8412 173.6358 152 Y 4.5413 8.7916 117.4832 57.0924 37.6589 176.8185 153 L 4.1582 8.2946 125.6395 56.3043 41.6366 177.6832 154 C 4.6814 7.9553 112.7059 58.4965 30.5738 174.1240 155 C 4.5858 8.0274 111.2802 58.0677 33.2189 175.3471 156 S 4.1191 9.3171 116.8974 58.8391 60.9529 170.5042 157 Q 4.3253 7.5914 119.8679 56.5312 29.2395 177.1693 158 T 4.3682 8.5958 116.4875 65.6829 69.6127 175.8701 159 A 4.0422 8.1103 124.3943 52.4530 18.7731 177.8514 160 K 3.3843 8.7988 123.4402 59.3883 32.0710 177.8641 161 N 4.7986 7.7891 113.1824 52.6742 37.9199 174.9756 162 A 4.1738 8.0411 122.0330 52.7034 19.1129 178.1416 163 M 3.9213 8.6993 120.5923 55.6191 32.6641 176.5846 164 G 3.3161 8.4985 114.2804 46.2438 0.0000 172.4624 165 C 4.4372 7.7816 117.5640 57.4369 30.2260 173.0355 166 Q 4.4012 7.1616 118.7628 55.5236 32.0840 173.5684 167 I 4.1295 8.3583 126.5253 61.0084 37.8826 175.7619 168 L 4.1686 8.8778 125.7515 55.5097 41.7900 176.5755 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 A 8.26 4.30 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 3 A 8.41 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.89 4.01 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 0.90 0.00 0.00 0.97 0.00 0.00 5 I 8.89 3.91 1.85 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 1.18 0.62 0.75 0.00 0.00 6 L 7.52 4.73 0.00 0.33 0.53 -0.35 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.65 5.89 0.00 2.03 1.89 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 2.27 2.31 0.00 8 S 9.06 4.72 0.00 2.72 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 9 I 7.93 4.71 1.84 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.35 0.95 0.00 0.00 10 F 8.86 5.20 0.00 2.53 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 11 L 8.56 5.03 0.00 0.72 1.41 0.87 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.92 5.05 0.00 1.79 1.89 0.00 0.72 0.00 0.00 1.46 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.44 7.81 13 R 8.26 4.00 0.00 1.77 1.90 0.00 3.15 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.00 14 S 7.97 4.27 0.00 4.08 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.98 4.16 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.46 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 16 Q 7.67 3.30 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.91 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 17 K 8.23 3.92 0.00 1.74 1.86 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.49 7.81 18 K 7.65 4.32 0.00 1.75 1.76 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 19 K 8.52 4.16 0.00 1.73 1.87 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.48 7.81 20 T 7.60 4.34 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 1.22 0.00 0.00 21 S 7.55 4.64 0.00 3.98 3.78 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 22 P 0.00 4.50 0.00 2.05 1.99 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 23 L 8.11 4.37 0.00 1.60 1.61 1.01 0.93 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 24 N 7.64 5.31 0.00 2.92 2.94 0.00 0.00 5.94 8.12 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 25 F 8.87 5.87 0.00 2.73 2.91 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 0.00 0.00 0.00 26 K 8.41 4.77 0.00 1.71 1.70 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.48 7.81 27 K 8.70 4.67 0.00 1.69 1.79 0.00 1.78 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.21 1.45 7.81 28 R 9.23 4.98 0.00 1.91 1.80 0.00 3.45 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 29 L 9.26 5.00 0.00 1.89 1.76 0.95 1.21 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 30 F 9.77 5.44 0.00 2.91 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 31 L 9.36 5.62 0.00 1.84 1.71 0.91 0.35 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 32 L 9.16 5.24 0.00 1.91 1.30 1.03 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.92 5.15 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 1.33 0.00 0.00 34 V 8.48 3.41 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 1.05 0.00 0.00 35 H 7.84 4.80 0.00 2.98 3.39 0.00 5.59 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.65 5.09 0.00 1.71 1.75 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.44 7.81 37 L 8.90 5.36 0.00 1.94 1.63 1.54 0.78 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 38 S 9.20 5.28 0.00 3.63 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 39 Y 7.91 5.21 0.00 2.32 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 0.00 0.00 0.00 0.00 40 Y 9.00 5.20 0.00 2.94 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 E 8.92 4.53 0.00 2.15 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 2.38 2.35 0.00 42 Y 8.61 4.76 0.00 3.07 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 43 D 8.51 4.48 0.00 2.58 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.63 3.95 0.00 3.19 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.00 3.95 0.00 2.11 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 2.46 2.36 0.00 46 R 8.19 3.84 0.00 1.80 1.92 0.00 3.49 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 47 G 8.21 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 48 R 6.81 4.77 0.00 1.78 1.94 0.00 2.91 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 49 R 8.45 4.41 0.00 1.70 1.93 0.00 2.21 0.00 0.00 2.80 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.38 0.00 50 G 9.85 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 0.00 0.00 0.00 0.00 51 S 8.75 4.67 0.00 3.92 4.02 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 52 K 8.89 3.63 0.00 1.66 1.61 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.67 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.95 0.53 7.81 53 K 8.22 4.36 0.00 1.51 1.63 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.50 7.81 54 G 6.52 3.06 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 0.00 0.00 0.00 55 S 8.07 5.08 0.00 3.62 3.56 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 56 I 8.24 4.51 1.74 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.62 0.46 0.00 0.00 57 D 8.73 4.77 0.00 2.72 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 58 V 9.11 3.67 2.29 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 0.99 0.00 0.00 1.05 0.00 0.00 59 E 8.06 5.04 0.00 2.16 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 2.31 2.33 0.00 60 K 7.99 4.33 0.00 2.05 2.04 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.49 1.45 7.81 61 I 7.57 4.50 2.01 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 1.35 0.46 1.01 0.00 0.00 62 T 8.64 4.57 4.34 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 1.25 0.00 0.00 63 C 7.63 4.98 0.00 2.99 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 64 V 8.03 4.97 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 0.94 0.00 0.00 1.00 0.00 0.00 65 E 8.79 4.76 0.00 1.72 1.58 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 1.86 1.47 0.00 66 T 8.34 4.59 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 1.22 0.00 0.00 67 V 8.19 4.34 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 0.27 0.00 0.00 -0.24 0.00 0.00 68 V 8.37 3.56 2.11 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 0.83 0.00 0.00 1.00 0.00 0.00 69 P 0.00 4.89 0.00 2.07 2.08 0.00 3.82 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 2.12 2.24 0.00 70 E 8.83 4.16 0.00 1.85 1.74 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 1.82 1.95 0.00 71 K 8.60 4.14 0.00 1.70 1.82 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.51 7.81 72 N 7.59 4.99 0.00 2.62 2.65 0.00 0.00 6.94 8.02 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 73 P 0.00 4.25 0.00 1.94 1.97 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 74 P 0.00 4.41 0.00 1.96 1.85 0.00 3.27 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.94 0.00 75 P 0.00 4.14 0.00 2.12 2.06 0.00 3.52 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 76 E 8.16 3.96 0.00 1.91 1.79 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 2.37 2.37 0.00 77 R 7.96 4.84 0.00 1.56 1.65 0.00 2.21 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.07 0.00 78 Q 7.48 4.18 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.33 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 79 I 8.00 3.46 1.86 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.33 1.00 0.00 0.00 *89 M 8.27 4.22 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.71 0.00 90 E 8.74 3.92 0.00 2.06 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 2.42 2.40 0.00 91 Q 8.16 3.97 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.08 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 92 I 7.66 3.98 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.02 0.94 0.00 0.00 93 S 7.89 4.08 0.00 4.03 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.86 3.79 1.95 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 1.59 0.83 0.98 0.00 0.00 95 I 7.40 4.77 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.94 0.98 0.00 0.00 96 E 7.80 4.58 0.00 1.85 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 2.22 2.45 0.00 97 R 7.70 4.47 0.00 1.72 1.72 0.00 2.98 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.47 0.00 98 F 8.96 6.01 0.00 3.06 3.20 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 99 P 0.00 4.93 0.00 1.55 1.97 0.00 3.55 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.51 0.00 100 Y 7.87 4.80 0.00 3.08 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.81 0.00 1.63 0.88 0.00 3.90 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 102 F 8.34 5.05 0.00 3.06 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 9.93 4.88 0.00 1.90 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.78 0.00 0.00 0.00 0.00 0.00 2.67 2.35 0.00 104 V 8.37 4.39 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 0.95 0.00 0.00 1.02 0.00 0.00 105 V 9.12 4.65 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.99 0.00 0.00 106 Y 8.57 5.36 0.00 3.19 2.82 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 0.00 0.00 0.00 0.00 107 D 8.11 4.42 0.00 2.77 2.88 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 0.00 108 E 6.79 3.87 0.00 1.43 1.71 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 2.16 2.17 0.00 109 G 7.03 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 0.00 110 P 0.00 5.03 0.00 1.13 1.85 0.00 3.24 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.16 0.00 111 L 8.34 4.42 0.00 1.87 1.66 0.80 0.82 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 0.00 112 Y 8.30 5.01 0.00 3.14 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 0.00 113 V 8.12 4.38 0.67 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 -0.32 0.00 0.00 0.25 0.00 0.00 114 F 9.77 5.11 0.00 3.05 3.29 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 0.00 115 S 9.08 5.35 0.00 4.01 4.12 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 0.00 116 P 0.00 5.14 0.00 2.12 2.02 0.00 4.03 0.00 0.00 4.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.34 0.00 117 T 7.70 4.85 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 1.27 0.00 0.00 118 E 7.92 3.51 0.00 1.18 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 119 E 8.00 3.92 0.00 2.04 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 2.37 2.33 0.00 120 L 7.86 4.14 0.00 1.95 1.90 1.20 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 121 R 7.88 3.69 0.00 1.94 2.03 0.00 3.38 0.00 0.00 3.48 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.25 0.00 122 K 7.83 3.85 0.00 1.94 2.00 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.43 7.81 123 R 8.06 3.91 0.00 2.18 1.93 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 124 W 8.50 3.76 0.00 3.10 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 0.00 125 I 7.71 3.70 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.66 0.82 0.00 0.00 126 H 8.31 4.21 0.00 3.20 3.42 0.00 5.58 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 0.00 127 Q 8.10 3.83 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 128 L 8.35 4.06 0.00 1.77 1.76 1.25 0.79 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 0.00 129 K 7.63 3.97 0.00 1.90 1.74 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.54 7.81 130 N 7.35 4.15 0.00 2.64 2.69 0.00 0.00 6.99 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 0.00 131 V 7.43 3.38 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 1.05 0.00 0.00 0.92 0.00 0.00 132 I 7.64 3.90 1.84 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 1.56 0.56 0.94 0.00 0.00 133 R 7.08 4.04 0.00 1.81 1.69 0.00 3.24 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 134 Y 6.86 4.68 0.00 3.00 2.88 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 0.00 135 N 8.08 4.80 0.00 2.80 2.75 0.00 0.00 6.74 7.47 0.00 0.00 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 S 8.55 4.26 0.00 3.99 4.01 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 0.00 137 D 7.55 4.71 0.00 2.64 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 0.00 138 L 7.85 4.32 0.00 1.63 1.73 0.90 1.11 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 0.00 139 V 7.98 4.13 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 0.68 0.00 0.00 1.11 0.00 0.00 140 Q 8.53 4.19 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 141 K 7.37 5.39 0.00 1.57 1.76 0.00 1.94 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.39 7.81 142 Y 8.43 4.53 0.00 3.02 2.96 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 0.00 0.00 0.00 143 H 8.20 4.49 0.00 2.93 3.03 0.00 5.62 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.28 0.00 2.06 2.05 0.00 3.25 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.05 0.00 145 C 7.02 5.15 0.00 3.13 2.91 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 0.00 0.00 0.00 146 F 8.64 3.94 0.00 2.91 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 0.00 147 W 8.90 4.58 0.00 2.43 3.13 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 0.00 148 I 7.39 4.11 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.96 0.81 0.00 0.00 149 D 8.32 4.03 0.00 2.77 2.60 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 0.00 150 G 7.28 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 6.21 4.49 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.89 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 152 Y 8.79 4.54 0.00 3.08 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.29 4.16 0.00 1.65 1.75 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 154 C 7.96 4.68 0.00 3.04 3.05 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 0.00 0.00 0.00 155 C 8.03 4.59 0.00 3.10 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 9.32 4.12 0.00 3.99 4.11 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 0.00 157 Q 7.59 4.33 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 158 T 8.60 4.37 4.34 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 1.39 0.00 0.00 159 A 8.11 4.04 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 0.00 160 K 8.80 3.38 0.00 1.41 1.53 0.00 1.27 0.00 0.00 1.21 0.00 0.00 2.35 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.27 7.81 161 N 7.79 4.80 0.00 2.76 2.88 0.00 0.00 5.98 7.26 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 0.00 162 A 8.04 4.17 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 0.00 163 M 8.70 3.92 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 164 G 8.50 3.32 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 0.00 165 C 7.78 4.44 0.00 3.02 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 0.00 166 Q 7.16 4.40 0.00 1.81 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 7.02 0.00 0.00 0.00 0.00 0.00 2.17 2.37 0.00 167 I 8.36 4.13 1.90 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 1.31 0.65 0.93 0.00 0.00 168 L 8.88 4.17 0.00 1.78 1.52 0.66 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.