NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3860 8.4045 118.7921 54.2129 33.8230 176.5981 2 K 3.9415 7.8987 121.5370 53.4588 31.9664 176.6682 3 A 4.2936 8.6154 128.3958 50.7573 20.0419 177.2901 4 V 3.8125 8.4138 122.8207 65.2407 32.0434 176.6272 5 V 4.5575 7.2738 116.5622 58.9415 34.1544 172.6647 6 P 4.3836 0.0000 0.0000 63.4265 31.5674 176.2060 7 T 4.5430 8.5313 111.2068 61.2646 70.7313 174.4458 8 G 3.7651 8.3069 111.4882 46.5418 0.0000 172.9494 9 K 4.9805 8.9191 126.4091 54.6539 34.7256 175.4379 10 I 4.5633 8.5845 127.1659 60.4840 39.0824 174.8064 11 Y 4.7356 8.8432 128.2565 56.0968 40.0868 174.3302 12 L 4.4800 8.7248 131.3999 53.8946 41.6609 175.4695 13 G 3.4936 7.9127 113.1179 45.3400 0.0000 170.1735 14 S 5.2258 8.2456 115.4586 57.1653 65.1436 174.1377 15 P 4.5003 0.0000 0.0000 62.7788 31.9033 176.3229 16 F 4.3595 5.6725 120.1523 57.4037 38.8907 174.1746 17 Y 4.6848 7.5690 116.5357 57.8388 38.9753 175.9102 18 S 4.6873 7.2885 114.3237 55.8296 67.8204 174.2939 19 D 4.1685 8.3864 120.1681 57.2633 40.4649 178.7845 20 A 3.9131 7.7861 120.8146 55.2379 18.4441 179.5698 21 Q 3.8119 7.8909 118.5702 59.7532 28.8622 179.8984 22 R 3.6580 7.5602 121.3024 61.0017 29.2503 180.7719 23 E 4.1058 8.0072 118.2452 59.6371 29.5054 179.4892 24 R 3.9635 8.0549 118.0796 59.2115 30.1353 178.9964 25 A 3.9062 7.9965 120.3466 54.9855 18.1248 179.5577 26 A 3.9087 7.8905 121.3093 55.8146 18.3761 180.7352 27 K 3.8482 8.1358 122.0548 59.6963 31.7166 181.0560 28 A 4.1169 8.2489 122.2194 54.9657 18.3056 179.8347 29 K 3.7649 7.7509 116.4403 59.6878 31.8909 179.4498 30 E 3.9113 7.5301 117.3758 59.2370 29.6446 179.1301 31 L 4.0700 7.9686 119.1542 57.9209 41.7595 179.6907 32 L 4.0798 8.2932 118.9297 57.5099 41.2948 179.0901 33 A 4.1528 7.8759 119.3636 53.7884 18.3817 178.5756 34 K 4.4352 7.6291 115.3905 55.4551 32.9838 176.0055 35 N 5.0232 7.9438 119.4280 51.6723 38.9131 173.6188 36 P 4.5033 0.0000 0.0000 64.3139 31.9072 176.8003 37 S 4.6143 8.7450 114.0353 58.4353 63.5506 172.9939 38 I 4.8329 7.3946 122.6271 60.1841 37.8517 175.4228 39 A 4.4623 9.2865 129.2937 54.2057 20.0709 176.8690 40 H 4.7929 7.8069 112.4171 55.1469 33.5623 172.7141 41 V 4.6241 7.9666 123.3654 60.9917 34.1072 174.0621 42 F 4.6888 9.6183 130.9467 56.3983 41.6298 173.8168 43 F 4.8667 7.8167 128.6036 55.4791 40.8899 173.5069 44 P 3.6720 0.0000 0.0000 65.7048 30.7074 177.2449 45 F 4.0616 6.1129 114.2157 58.2280 39.0490 175.3616 46 D 4.5283 7.4700 121.3107 54.4627 40.4970 176.5159 *48 G 3.8000 7.8772 106.3330 45.4042 0.0000 172.7473 49 F 4.7323 8.5665 121.8926 56.9388 40.6697 175.3134 50 T 4.3289 7.1810 122.5167 61.6068 70.3172 173.1716 51 D 4.5256 8.4895 126.9141 52.2139 41.6380 174.7832 52 P 4.2511 0.0000 0.0000 65.9061 31.5998 177.7291 53 D 4.3872 8.2447 117.0784 56.8612 40.8811 176.4281 54 E 3.8484 7.8580 122.5548 57.2390 29.4673 177.1066 55 K 4.2018 8.5403 127.0561 54.7295 32.0803 171.2580 *57 P 4.2012 0.0000 0.0000 63.3399 32.4545 175.6052 58 E 4.6979 7.9910 117.2267 53.9410 32.4808 175.2717 59 I 3.8937 8.0835 121.5774 62.8738 37.5491 176.9265 60 G 3.8563 9.0142 113.1637 45.2894 0.0000 173.3210 61 G 3.9187 7.4025 108.4399 43.5443 0.0000 173.4273 62 I 3.8211 8.0585 120.3110 61.2389 37.3953 176.2024 63 R 4.7158 8.1846 124.1285 53.9262 32.7369 176.7730 64 S 4.3772 9.2438 116.3945 58.6056 64.9473 175.3350 65 M 4.1065 8.6649 122.6257 58.8730 32.0171 178.8176 66 V 3.6163 7.8507 118.1134 65.6712 31.7256 177.6978 67 W 4.3161 8.2695 128.3245 60.4056 30.5486 178.1675 68 R 3.8973 8.3950 118.0791 59.4150 29.5117 178.6944 69 D 4.2928 8.3637 118.5906 57.3561 40.8308 178.8061 70 A 3.5609 7.6725 121.0587 55.3433 18.1813 179.9070 71 T 3.4454 7.3892 114.3680 66.5517 68.3633 176.4940 72 Y 3.9561 8.0984 121.9234 60.7299 38.7647 177.9339 73 Q 3.6813 8.2193 120.6901 59.0496 29.1740 177.7902 74 N 4.1675 7.9892 117.6225 56.4070 38.0081 177.1191 75 D 4.4591 7.8909 120.1943 57.3582 40.8778 178.8604 76 L 3.4928 7.4275 119.4543 57.7859 41.4313 179.5938 77 T 3.7693 8.3577 116.2872 66.4733 68.3222 176.8618 78 G 2.6627 7.3682 107.0862 47.3929 0.0000 175.9055 79 I 3.2921 6.5039 120.2631 63.8267 37.0912 178.1691 80 S 4.1820 7.6964 112.9696 61.6163 62.3663 175.7555 81 N 4.3823 7.9973 117.6226 55.1813 38.5781 175.9678 82 A 4.3745 7.3392 122.2058 52.5598 18.9951 176.9865 83 T 4.5748 8.6684 110.0792 62.3360 70.5663 174.2191 84 C 5.0150 8.0630 121.5207 58.1199 35.4703 172.3404 85 G 4.6636 9.1753 111.8029 44.5404 0.0000 172.4435 86 V 5.0156 8.7065 124.1120 61.0728 34.5480 174.1275 87 F 5.2288 9.3522 127.8382 55.8281 41.1665 175.5028 88 L 4.8555 8.8207 125.8340 54.5511 40.0997 174.2839 89 Y 4.4138 9.0472 123.1182 56.7325 40.0585 173.6436 90 D 5.0007 8.5116 128.0105 54.1684 41.1273 175.8976 91 M 4.3156 9.1618 126.7920 57.4325 32.1337 177.8938 92 D 4.4944 8.5266 118.1067 56.1286 41.5774 176.6920 93 Q 4.4813 8.7179 120.5889 53.1251 28.9818 174.6209 94 L 3.7273 8.3129 121.9354 54.9738 42.4002 177.1801 95 D 4.8482 8.3130 122.6902 52.6616 42.3735 176.6093 96 D 4.6932 8.7925 128.6603 56.0044 39.3040 178.6359 97 G 3.7172 8.3752 106.5655 48.0968 0.0000 175.4500 98 S 4.6942 8.1293 116.7603 61.1902 63.1514 176.3629 99 A 4.2844 8.3386 123.6092 55.0193 18.0415 179.9618 100 F 4.2971 8.5705 115.9779 59.4348 39.3450 176.7513 *102 I 3.7840 7.7761 119.4343 60.7647 39.1445 178.2000 103 G 3.5357 8.1205 106.9089 47.6169 0.0000 175.5016 104 F 3.7112 8.3757 123.2851 61.2277 39.4215 177.1848 105 M 4.1574 8.0863 117.8047 58.6365 31.7988 178.8959 106 R 3.9315 8.1152 117.8902 59.0333 29.9496 178.9613 107 A 3.8080 7.5970 119.5177 54.5539 18.3615 178.5131 108 M 4.1519 7.1805 114.8468 55.0136 32.2503 176.2908 109 H 4.1920 7.7636 115.1980 56.4554 27.0340 174.6928 110 K 4.5591 7.8346 119.0055 54.9996 33.0202 175.3526 111 P 4.5472 0.0000 0.0000 62.9399 33.1924 175.1607 112 V 4.9896 8.8053 121.5554 61.4121 34.6662 174.0689 113 I 4.6609 9.4895 130.4281 59.9520 38.7817 174.4408 114 L 4.5818 8.9610 130.8523 54.0028 43.7350 175.7443 115 V 5.2562 8.9978 127.2106 59.1155 31.7105 171.6863 116 P 5.0679 0.0000 0.0000 62.3796 32.9874 175.7862 117 F 5.2333 9.4936 121.3306 56.1299 42.7877 173.8903 118 T 5.1261 8.7986 115.7546 60.9981 70.2600 173.0899 119 E 4.6501 9.9348 125.9788 56.6056 30.6258 176.4382 120 H 4.9381 7.8964 116.2013 53.3065 28.6815 172.6820 121 P 4.2782 0.0000 0.0000 65.7252 32.1445 178.8041 122 E 4.1488 8.4373 113.7687 58.7107 29.6404 182.5981 123 K 4.0715 7.5909 120.5881 56.4986 32.5932 177.6074 124 E 3.8709 8.8914 121.5354 56.5988 30.1202 175.6476 125 K 4.1852 8.6271 126.7044 54.9648 32.2677 173.2836 126 K 5.3188 8.5906 124.5411 54.3100 36.1108 175.6189 127 M 4.0312 8.4191 120.4644 53.8566 36.1946 173.7917 128 N 4.5955 7.9008 123.3655 53.1879 40.1773 175.2800 129 L 3.8940 8.7529 126.1803 58.8193 42.0782 179.3172 130 M 4.0010 8.0044 117.8719 58.4579 31.9136 178.7166 131 I 3.5814 7.5796 119.1971 64.1042 37.2202 178.0846 132 A 3.7999 7.8292 120.7136 54.6249 18.2545 178.6439 133 Q 4.3280 8.1269 116.5133 57.3625 29.7099 177.7815 134 G 3.5921 7.9281 106.5503 46.6553 0.0000 174.7094 135 V 3.7195 7.1228 120.4818 62.8862 32.2620 175.6079 136 T 4.4097 8.4378 115.5618 63.4010 70.7727 174.5703 137 T 5.1748 8.1013 117.9166 61.7027 73.1871 172.8257 138 I 4.6482 8.3359 125.5436 59.1927 40.7672 174.6425 139 I 4.4759 8.6167 129.6072 59.1028 40.6196 174.3376 140 D 4.4528 8.8801 128.0993 54.4159 41.3141 177.3935 141 G 2.4458 8.2398 114.3971 48.7375 0.0000 174.5811 142 N 4.7605 8.1518 117.0934 55.3455 39.0533 175.9151 143 T 4.5129 8.6202 113.5126 63.8698 70.5982 174.8775 144 E 4.7613 8.5617 120.1108 55.5221 30.7233 177.4088 145 F 4.5069 8.7495 123.6643 62.0945 39.1776 176.7004 146 E 4.0509 8.3657 116.8162 58.7439 29.2648 178.9038 147 K 4.2154 8.3418 118.5552 58.6392 31.7948 178.9249 148 L 4.2158 7.7294 118.6609 57.4023 41.7541 178.5779 149 A 4.4583 8.2280 120.0846 53.7683 18.2091 178.1936 150 D 4.8416 7.8501 114.2550 54.0066 43.1925 175.8956 151 Y 3.8848 8.0543 120.7489 57.9736 39.1233 175.1947 152 N 4.5357 7.4868 124.9457 52.5620 37.7838 175.0262 153 F 4.6333 8.8943 122.9744 58.3074 39.3371 176.8829 154 N 4.6559 8.4479 118.9702 54.9900 38.6677 175.8178 155 E 4.4253 7.9157 115.0763 55.3360 32.5561 175.5196 156 C 4.2436 8.4041 115.1468 58.4721 25.9895 171.6772 157 P 4.3010 0.0000 0.0000 62.8137 31.8711 177.4270 158 S 4.5137 8.3664 116.7984 58.6835 63.7275 174.4071 159 N 4.7806 8.7786 119.4267 51.9412 40.2928 171.4861 160 P 4.4510 0.0000 0.0000 61.9879 32.2568 176.6127 161 V 3.7252 8.1272 121.7993 63.0884 32.2056 175.3813 162 R 4.6535 8.1991 124.2744 55.8833 34.1568 176.1531 163 G 4.0446 8.8573 106.4816 45.8893 0.0000 172.8920 164 Y 4.6359 7.4597 116.3363 56.1468 39.6064 176.0707 165 G 3.9322 9.0503 111.7792 46.0156 0.0000 172.6539 166 I 4.5952 8.3186 123.6159 60.3768 38.1997 175.6371 167 Y 4.9145 8.4709 124.3186 58.6908 37.3731 176.6515 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 1 M 8.40 4.39 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 K 7.90 3.94 0.00 1.85 1.65 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 1.07 7.81 3 A 8.62 4.29 1.30 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 0.00 0.00 0.00 4 V 8.41 3.81 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 0.85 0.00 0.00 0.93 0.00 0.00 5 V 7.27 4.56 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 0.79 0.00 0.00 0.94 0.00 0.00 6 P 0.00 4.38 0.00 2.09 2.07 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 7 T 8.53 4.54 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 1.29 0.00 0.00 8 G 8.31 3.77 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 0.00 0.00 0.00 9 K 8.92 4.98 0.00 1.74 1.79 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.60 7.81 10 I 8.58 4.56 1.72 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.50 0.78 0.00 0.00 11 Y 8.84 4.74 0.00 3.05 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 12 L 8.72 4.48 0.00 1.58 1.78 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.91 3.49 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 0.00 0.00 0.00 14 S 8.25 5.23 0.00 4.04 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.50 0.00 2.17 2.07 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.39 0.00 16 F 5.67 4.36 0.00 1.51 1.47 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 17 Y 7.57 4.68 0.00 3.03 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 18 S 7.29 4.69 0.00 3.93 3.91 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 19 D 8.39 4.17 0.00 2.64 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 20 A 7.79 3.91 1.24 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 0.00 0.00 21 Q 7.89 3.81 0.00 1.91 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 22 R 7.56 3.66 0.00 1.86 1.94 0.00 3.27 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 1.56 1.54 0.00 23 E 8.01 4.11 0.00 2.11 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 2.26 2.47 0.00 24 R 8.05 3.96 0.00 1.50 1.34 0.00 2.54 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.55 0.00 25 A 8.00 3.91 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 26 A 7.89 3.91 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 27 K 8.14 3.85 0.00 1.80 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.32 7.81 28 A 8.25 4.12 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 0.00 0.00 0.00 0.00 0.00 29 K 7.75 3.76 0.00 1.89 1.74 0.00 1.43 0.00 0.00 1.46 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.27 7.81 30 E 7.53 3.91 0.00 1.96 1.94 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 2.28 2.47 0.00 31 L 7.97 4.07 0.00 1.68 1.64 0.25 0.70 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 32 L 8.29 4.08 0.00 1.60 1.63 0.87 0.93 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 33 A 7.88 4.15 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 34 K 7.63 4.44 0.00 1.91 1.87 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.64 7.81 35 N 7.94 5.02 0.00 2.89 2.90 0.00 0.00 7.21 7.72 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 36 P 0.00 4.50 0.00 2.24 2.18 0.00 3.86 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 37 S 8.75 4.61 0.00 4.13 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 38 I 7.39 4.83 1.86 0.00 0.00 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 1.02 0.73 0.87 0.00 0.00 39 A 9.29 4.46 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 40 H 7.81 4.79 0.00 3.19 3.12 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.97 4.62 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 0.74 0.00 0.00 0.81 0.00 0.00 42 F 9.62 4.69 0.00 3.25 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 43 F 7.82 4.87 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 44 P 0.00 3.67 0.00 1.42 2.05 0.00 3.24 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.49 0.00 45 F 6.11 4.06 0.00 1.92 2.44 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 46 D 7.47 4.53 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *48 G 7.88 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 0.00 0.00 0.00 49 F 8.57 4.73 0.00 2.84 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 50 T 7.18 4.33 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 1.12 0.00 0.00 51 D 8.49 4.53 0.00 3.04 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 P 0.00 4.25 0.00 2.08 2.10 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 53 D 8.24 4.39 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 54 E 7.86 3.85 0.00 1.95 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 2.25 2.24 0.00 55 K 8.54 4.20 0.00 1.82 1.68 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.35 0.99 7.81 *57 P 0.00 4.20 0.00 1.94 1.97 0.00 3.61 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 1.76 1.84 0.00 58 E 7.99 4.70 0.00 2.07 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 2.18 2.23 0.00 59 I 8.08 3.89 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 1.01 0.00 0.00 60 G 9.01 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 61 G 7.40 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 0.00 0.00 0.00 62 I 8.06 3.82 1.84 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 0.83 0.90 0.00 0.00 63 R 8.18 4.72 0.00 1.87 1.71 0.00 3.07 0.00 0.00 2.90 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.95 0.00 64 S 9.24 4.38 0.00 4.09 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 M 8.66 4.11 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.67 0.00 66 V 7.85 3.62 2.42 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 1.15 0.00 0.00 1.00 0.00 0.00 67 W 8.27 4.32 0.00 3.54 3.44 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 68 R 8.40 3.90 0.00 2.17 1.98 0.00 3.29 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.17 0.00 69 D 8.36 4.29 0.00 2.73 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 70 A 7.67 3.56 0.18 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 0.00 0.00 71 T 7.39 3.45 3.26 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 0.74 0.00 0.00 72 Y 8.10 3.96 0.00 2.85 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 73 Q 8.22 3.68 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 74 N 7.99 4.17 0.00 2.86 2.86 0.00 0.00 7.01 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 75 D 7.89 4.46 0.00 2.64 2.67 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 76 L 7.43 3.49 0.00 1.41 1.28 0.50 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.36 3.77 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 1.04 0.00 0.00 78 G 7.37 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 0.00 0.00 0.00 79 I 6.50 3.29 1.63 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 -0.36 0.88 0.00 0.00 80 S 7.70 4.18 0.00 3.79 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 81 N 8.00 4.38 0.00 2.58 2.80 0.00 0.00 7.09 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 82 A 7.34 4.37 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 0.00 0.00 83 T 8.67 4.57 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 1.25 0.00 0.00 84 C 8.06 5.01 0.00 3.20 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 85 G 9.18 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.71 5.02 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 1.08 0.00 0.00 1.05 0.00 0.00 87 F 9.35 5.23 0.00 3.08 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 88 L 8.82 4.86 0.00 1.71 1.78 1.18 0.73 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 89 Y 9.05 4.41 0.00 3.33 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 90 D 8.51 5.00 0.00 2.73 2.67 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 91 M 9.16 4.32 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.85 0.00 92 D 8.53 4.49 0.00 2.85 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 93 Q 8.72 4.48 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 94 L 8.31 3.73 0.00 1.66 1.65 1.08 1.17 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 95 D 8.31 4.85 0.00 2.84 2.61 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 M 8.09 4.16 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.66 0.00 106 R 8.12 3.93 0.00 1.75 1.91 0.00 3.47 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 107 A 7.60 3.81 1.11 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 0.00 0.00 108 M 7.18 4.15 0.00 1.96 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 109 H 7.76 4.19 0.00 3.27 3.40 0.00 5.84 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 7.83 4.56 0.00 1.82 1.79 0.00 1.72 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.40 7.81 111 P 0.00 4.55 0.00 2.23 2.25 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.07 0.00 112 V 8.81 4.99 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 1.07 0.00 0.00 1.04 0.00 0.00 113 I 9.49 4.66 2.07 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.20 0.81 0.00 0.00 114 L 8.96 4.58 0.00 1.59 1.40 0.44 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 115 V 9.00 5.26 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 0.54 0.00 0.00 0.97 0.00 0.00 116 P 0.00 5.07 0.00 2.22 2.18 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 117 F 9.49 5.23 0.00 2.89 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 0.00 118 T 8.80 5.13 4.35 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 1.28 0.00 0.00 119 E 9.93 4.65 0.00 1.95 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 2.28 2.29 0.00 120 H 7.90 4.94 0.00 3.26 3.24 0.00 5.82 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 0.00 121 P 0.00 4.28 0.00 2.05 2.13 0.00 3.70 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 2.04 2.11 0.00 122 E 8.44 4.15 0.00 1.98 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 2.23 1.92 0.00 123 K 7.59 4.07 0.00 1.90 1.83 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.51 1.45 7.81 124 E 8.89 3.87 0.00 1.98 1.76 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 2.23 1.89 0.00 125 K 8.63 4.19 0.00 1.44 1.78 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.77 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.44 1.05 7.81 126 K 8.59 5.32 0.00 1.91 1.99 0.00 1.88 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.70 7.81 127 M 8.42 4.03 0.00 1.78 1.53 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 128 N 7.90 4.60 0.00 3.05 2.68 0.00 0.00 6.75 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 0.00 129 L 8.75 3.89 0.00 1.80 1.67 0.90 0.97 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 0.00 130 M 8.00 4.00 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 131 I 7.58 3.58 1.66 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 1.53 1.09 0.38 0.00 0.00 132 A 7.83 3.80 1.23 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 0.00 133 Q 8.13 4.33 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 134 G 7.93 3.59 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 0.00 0.00 0.00 135 V 7.12 3.72 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 0.87 0.00 0.00 0.80 0.00 0.00 136 T 8.44 4.41 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 1.23 0.00 0.00 137 T 8.10 5.17 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 1.18 0.00 0.00 138 I 8.34 4.65 1.78 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 1.19 0.94 0.96 0.00 0.00 139 I 8.62 4.48 1.81 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 1.05 0.56 0.92 0.00 0.00 140 D 8.88 4.45 0.00 2.74 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 0.00 141 G 8.24 2.45 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 0.00 0.00 0.00 142 N 8.15 4.76 0.00 2.88 2.93 0.00 0.00 6.76 7.54 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 0.00 143 T 8.62 4.51 4.32 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 1.23 0.00 0.00 144 E 8.56 4.76 0.00 2.05 1.92 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 2.23 2.21 0.00 145 F 8.75 4.51 0.00 3.35 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 0.00 146 E 8.37 4.05 0.00 2.13 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 2.40 2.42 0.00 147 K 8.34 4.22 0.00 1.99 1.94 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.54 7.81 148 L 7.73 4.22 0.00 1.68 1.91 1.26 1.39 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 0.00 149 A 8.23 4.46 1.45 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 0.00 0.00 150 D 7.85 4.84 0.00 2.68 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 0.00 151 Y 8.05 3.88 0.00 3.03 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 0.00 152 N 7.49 4.54 0.00 2.54 2.34 0.00 0.00 7.21 7.71 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 0.00 153 F 8.89 4.63 0.00 3.20 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 0.00 154 N 8.45 4.66 0.00 2.92 2.89 0.00 0.00 6.72 7.34 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 0.00 155 E 7.92 4.43 0.00 1.79 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 2.17 2.24 0.00 156 C 8.40 4.24 0.00 3.14 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 0.00 157 P 0.00 4.30 0.00 2.11 1.94 0.00 3.03 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 158 S 8.37 4.51 0.00 3.90 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 0.00 159 N 8.78 4.78 0.00 2.80 2.67 0.00 0.00 7.44 7.25 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 0.00 160 P 0.00 4.45 0.00 2.08 1.98 0.00 3.74 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 2.09 0.00 161 V 8.13 3.73 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 0.59 0.00 0.00 0.80 0.00 0.00 162 R 8.20 4.65 0.00 1.89 1.78 0.00 3.26 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 163 G 8.86 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 Y 7.46 4.64 0.00 2.84 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 G 9.05 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 0.00 0.00 0.00 166 I 8.32 4.60 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.87 0.93 0.00 0.00 167 Y 8.47 4.91 0.00 2.80 2.87 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 * Residues marked with a * may have inaccurate shift predictions.