NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6523 8.3649 120.1910 53.8912 41.6553 174.7758 2 V 4.0112 7.9657 120.6908 60.1292 33.2293 173.7801 3 K 5.1027 9.7424 125.8190 54.7170 36.0487 174.7772 4 L 4.9016 8.8175 126.0081 53.4027 45.3903 176.1104 5 V 4.2912 8.5312 125.4565 60.9642 32.9908 174.7932 6 E 4.9289 8.9734 128.0134 56.0656 30.3897 177.5632 7 S 4.5706 8.7175 114.2332 58.0738 62.6654 175.7947 8 G 3.6235 8.7855 109.4190 48.8881 0.0000 174.4737 9 G 3.9485 6.4645 106.4966 43.7452 0.0000 174.5797 10 G 4.2034 7.8475 108.1408 43.1045 0.0000 171.6779 11 L 4.4057 7.7298 122.5414 55.1401 42.8839 176.3446 12 V 4.5349 8.5968 124.5337 61.2228 35.4868 174.1658 13 Q 5.0221 9.0107 126.5430 54.3310 29.8664 174.0882 14 P 4.5374 0.0000 0.0000 64.4831 31.6578 175.8396 15 G 4.0538 9.6315 109.6027 45.5885 0.0000 173.9603 16 G 4.0134 8.1360 107.3465 45.9969 0.0000 172.1682 17 S 5.1653 8.0652 113.5997 56.7828 66.4710 172.8181 18 R 4.4117 8.1021 118.0545 55.4429 33.9458 173.5566 19 K 4.6586 8.2127 123.3235 54.6771 34.6274 175.7101 20 L 4.4693 8.6976 128.4341 54.4880 43.3981 176.2694 21 S 5.2874 8.5963 115.1414 57.3707 68.0706 174.2069 22 C 5.0654 8.7548 121.6722 55.3609 46.8829 173.0837 23 A 4.4819 9.0226 130.3818 51.0099 18.9131 175.7710 24 A 5.0237 8.2584 124.8612 52.1248 20.0134 176.5961 25 S 4.3162 9.1057 115.3559 58.0515 66.5894 175.5259 26 G 4.0371 10.4269 109.4779 45.2988 0.0000 172.6028 27 F 4.8055 7.1420 112.2473 55.8558 41.0068 174.8477 28 T 4.1829 8.4125 117.3960 61.9243 67.1435 175.2590 29 F 3.7333 8.3995 128.9919 61.0792 39.3361 177.6165 30 S 4.1537 8.2317 111.9282 60.2965 62.6499 174.5729 31 S 4.6106 8.1670 116.0687 58.2763 63.2273 173.6122 32 F 4.8851 8.2787 119.3914 55.3483 42.2076 175.3833 33 G 3.8913 8.6211 109.1372 45.8203 0.0000 171.7983 34 M 5.3218 8.4416 118.8561 53.8127 36.9830 174.2118 35 H 5.7317 9.1633 116.2402 54.1008 33.8583 172.6514 36 W 5.2866 8.9983 119.7261 55.0888 32.2766 174.9409 37 V 5.2023 9.8202 124.2707 61.2321 34.9607 174.1656 38 R 5.0842 9.0815 120.9516 54.8293 33.8579 173.9144 39 Q 4.8237 8.5814 120.2036 54.7305 32.2510 174.1799 40 A 4.4482 8.8904 129.6705 51.3262 18.6166 174.8793 41 P 3.9796 0.0000 0.0000 65.6714 31.9924 176.6360 42 E 4.6585 7.8886 118.4519 56.5690 30.3571 175.9525 43 K 4.6627 7.8708 117.1575 54.4623 35.7931 176.0430 44 G 4.0375 8.1906 109.0747 44.1641 0.0000 173.3418 45 L 4.4364 8.1815 118.5074 55.3152 42.5014 177.0292 46 E 4.7412 9.2394 122.4994 54.4210 33.1675 174.3284 47 W 4.6549 9.2192 135.0000 57.9912 31.3975 174.8265 48 V 4.0647 8.1007 124.7623 63.9282 33.5754 174.9512 49 A 4.4140 6.5524 118.6984 51.1314 22.2614 174.1614 50 Y 5.4089 8.9964 119.9890 56.1031 43.0543 174.0977 51 I 4.6314 7.2483 124.7059 58.9835 41.5985 174.8002 52 S 4.4669 8.6543 124.9014 57.8198 63.8453 175.5985 52A S 3.8459 8.6639 115.1125 60.9162 62.8026 175.3067 53 G 3.7677 8.0004 108.0156 44.7920 0.0000 174.0807 54 S 3.7490 7.9310 114.3552 59.2675 61.0023 173.3432 55 S 4.4152 7.5628 114.5117 59.6225 63.5951 174.1954 56 T 4.6343 8.5072 118.7584 61.6526 71.5726 173.1823 57 I 4.8756 8.1214 125.6701 59.7775 41.0416 174.1334 58 Y 5.3592 9.1074 123.9005 56.6335 41.5885 174.3304 59 Y 5.2548 8.7950 118.1500 56.0124 42.3069 175.2021 60 A 4.4743 8.8110 124.5904 52.0030 19.3027 178.5216 61 D 4.3980 9.0516 120.1666 57.9118 41.3124 178.5035 62 T 3.9478 8.1303 114.4093 66.4130 68.6386 175.2787 63 V 3.6484 7.3251 111.3478 60.2582 32.1431 175.2568 64 K 3.9534 7.4629 122.7200 58.3764 32.0238 176.6066 65 G 3.9928 8.8092 115.3998 44.8676 0.0000 173.5582 66 R 4.5614 8.0230 117.3775 56.3786 32.9510 176.0769 67 F 5.9198 8.0399 115.6276 55.4601 41.5988 175.7182 68 T 4.7401 8.2216 117.1703 62.0133 72.0857 172.7040 69 I 4.9217 8.9918 127.4711 60.2725 39.6009 174.5766 70 S 4.9570 8.7302 120.4924 58.0225 66.7542 172.9422 71 R 5.1606 8.4971 115.2948 55.4109 32.4298 174.4680 72 D 4.8571 9.6905 121.1569 52.2401 42.3039 175.7111 73 N 4.6460 9.1130 122.9096 55.7789 38.7914 175.3164 74 P 4.5382 0.0000 0.0000 63.5963 31.3451 176.1950 75 K 4.3543 8.1548 119.5613 55.3376 32.8511 175.3522 76 N 3.5457 7.4828 113.0270 54.3478 36.9213 173.3802 77 T 4.6168 6.6599 112.1016 61.4805 72.3356 173.2647 78 L 5.0992 8.1909 126.5267 53.6110 44.8509 174.9244 79 F 5.6925 9.4401 121.3866 56.0984 44.4007 173.9668 80 L 4.4093 8.5575 121.6432 54.0071 44.8768 174.6300 81 Q 4.6023 9.1380 130.1384 55.3363 30.1107 174.3962 82 M 3.9154 8.8389 127.3971 54.5433 33.9974 175.5987 82A T 4.6407 7.9913 116.1458 62.5274 73.2997 173.4510 82B S 3.8447 8.4607 116.4471 58.3097 60.6033 173.8044 82C L 4.3006 7.8988 119.4816 54.7191 41.9054 178.4088 83 R 4.5624 8.5878 123.5817 54.6185 31.9393 177.6156 84 S 4.2937 8.4654 112.5131 61.4020 63.2165 176.1709 85 E 4.0789 8.2000 119.2074 58.5515 29.4077 177.1623 86 D 4.7262 7.9394 117.7204 55.2822 41.4154 176.0999 87 T 4.4937 8.2319 115.8946 63.8113 68.1598 173.0295 88 A 4.5106 8.3621 127.2361 51.6358 23.3076 173.5689 89 M 4.7683 8.5367 118.7910 54.6751 33.9048 174.4567 90 Y 5.0365 9.2182 124.5410 56.9565 40.2888 174.2869 91 Y 5.4270 9.5208 121.7140 56.4282 41.8392 172.5911 92 C 4.6491 9.1016 118.2921 54.2764 43.1587 172.6494 93 A 4.6686 8.0763 119.4890 50.6329 22.6342 176.1662 94 R 4.0656 8.4436 120.5541 55.7982 31.0966 177.5125 95 G 3.8806 8.5293 112.9160 48.5318 0.0000 174.1844 96 D 4.8299 8.1712 116.1314 52.2778 39.7144 175.5062 97 Y 3.5638 7.7108 115.7867 59.1257 36.0762 170.4694 98 Y 3.8913 8.3287 119.8295 57.1602 39.3591 175.2091 99 G 3.5147 8.1820 116.6310 46.1750 0.0000 172.2787 100 S 5.1185 8.2932 120.0514 56.1954 65.6501 174.4399 100A R 4.0649 9.1659 121.6010 56.5350 30.9703 176.3151 100B G 4.5692 8.5887 109.1588 44.9957 0.0000 172.8135 101 A 4.0960 7.9148 124.8851 50.5006 19.9872 177.8732 102 Y 4.5189 7.9607 120.7705 60.3825 38.8547 177.9324 103 W 4.5592 7.7971 115.8224 56.5503 29.6401 177.1130 104 G 4.0559 6.2839 105.7424 45.7769 0.0000 170.2184 105 Q 4.7098 8.1503 120.9500 55.4308 32.0119 176.8727 106 G 3.6802 10.3868 111.6264 45.1389 0.0000 171.9668 107 T 4.5984 8.3557 112.4440 60.4852 70.9235 172.5673 108 L 4.9404 8.6395 131.3282 54.4937 44.2188 175.5328 109 V 4.9316 8.6647 124.7192 60.4558 34.6092 174.2424 110 T 4.8877 8.3784 122.1631 60.9209 71.0848 173.9021 111 V 4.9233 8.3999 126.0855 61.4505 32.7045 174.1969 112 S 4.4027 8.8921 126.5505 60.4876 68.5840 174.2847 113 A 3.8894 8.7706 123.8691 53.3434 16.9298 178.8528 110 K 4.8577 8.5184 128.9631 55.3209 34.3848 175.8021 111 T 5.1533 8.5199 120.4855 61.0504 69.6045 172.5969 112 T 4.2827 8.7321 124.4505 63.9876 74.5840 174.3846 113 A 3.8894 8.7706 123.8691 53.3434 16.9298 178.8528 119 P 4.8399 0.0000 0.0000 62.6751 33.2954 175.5096 120 S 4.4949 8.7292 115.8069 56.6430 65.4190 173.5597 121 V 4.3676 7.9698 125.0975 61.6762 32.7003 174.5573 122 Y 5.1701 8.8992 125.4185 55.5828 41.7574 172.6728 123 P 4.8975 0.0000 0.0000 62.1799 33.0595 175.6450 124 L 4.6186 8.8826 124.4037 53.3643 42.5629 175.4597 125 A 4.4902 8.2266 125.6511 50.9853 21.7252 176.6299 126 P 4.3999 0.0000 0.0000 62.8583 30.5459 178.6831 127 V 3.9237 9.5036 125.9702 62.3471 31.7780 172.2604 128 C 4.3936 7.5314 110.7158 60.0788 31.5158 176.8647 129 G 3.6331 7.9113 109.0581 48.6866 0.0000 174.8232 130 D 4.2085 7.2063 117.9522 55.3469 42.3545 178.2886 *133 T 4.5584 7.4725 114.1460 61.3729 70.1776 173.3585 134 T 4.3205 8.4605 117.8145 63.5213 75.3661 173.0882 135 G 4.0870 6.7165 112.8584 46.7620 0.0000 174.4217 136 S 4.4835 8.5899 121.7784 58.2499 62.5406 172.6083 137 S 5.2553 8.0793 115.8647 56.3894 65.8533 173.0810 138 V 4.6575 8.4909 122.4295 60.1174 33.8042 174.3923 139 T 4.9696 8.4008 113.8826 59.9991 70.8204 173.5021 140 L 4.6302 8.6840 124.1093 52.9190 46.0217 175.2756 141 G 4.6628 8.8983 107.2099 45.2848 0.0000 170.5540 142 C 5.4848 9.3229 118.8404 55.2504 45.6706 172.1986 143 L 5.1289 9.3427 129.1335 53.4911 44.1828 175.1291 144 V 4.7575 9.1594 128.3231 61.2509 32.6783 174.2996 145 K 4.8175 8.8079 127.4607 55.1098 35.9905 175.6251 146 G 4.0494 8.5369 108.1101 46.8902 0.0000 172.1515 147 Y 5.2676 6.8770 115.7269 55.5340 42.5612 175.7579 148 F 5.1855 8.8170 119.9907 57.1183 42.4789 171.7846 149 P 3.6695 0.0000 0.0000 60.9469 33.7892 174.7803 150 E 4.1702 8.1836 118.6800 55.7178 30.0570 174.4649 151 P 4.6898 0.0000 0.0000 61.3693 33.6280 174.4805 152 V 4.4064 7.7193 116.5520 61.4376 34.5997 174.4158 153 T 4.5837 8.9792 123.9496 61.6950 70.8719 173.1362 154 L 5.7271 8.3945 127.4616 52.3064 45.7757 175.3371 *156 T 4.7170 8.2617 114.6210 61.6370 71.0916 172.1496 157 W 4.8145 8.3726 120.8797 54.3660 32.0381 176.2834 *162 N 4.7519 8.1949 122.8176 54.8023 38.9690 174.4693 163 S 3.8090 10.3018 107.1689 59.2857 61.7915 174.5398 164 G 4.0595 8.1130 109.7199 45.5694 0.0000 175.9689 165 S 4.0760 8.3403 115.6219 60.8023 62.8827 173.9598 166 L 4.4612 7.8350 122.2482 53.6906 41.0861 175.2040 167 S 4.6513 8.3870 119.9529 58.0391 65.1593 174.6565 168 S 4.2520 7.9602 115.2550 58.5873 63.2113 174.0491 169 G 3.7008 8.5068 114.1668 45.8492 0.0000 172.9124 *171 V 4.2755 7.3989 117.9846 61.7234 32.7205 174.6019 172 H 4.6915 9.0564 120.3255 54.2132 32.0900 172.5683 173 T 4.8773 8.2696 119.9489 61.5787 69.0660 174.0534 174 F 4.4043 8.8126 127.0010 56.1387 40.0598 174.0364 175 P 4.4481 0.0000 0.0000 62.7772 31.5837 175.8394 176 A 4.4731 8.5400 122.1469 52.3932 19.0233 176.8998 177 V 4.3967 8.6336 121.7773 60.8425 34.0900 174.3465 178 L 4.2349 8.6477 130.8013 54.7267 42.8422 175.5860 179 Q 4.2785 8.6876 127.3183 55.8325 32.5926 175.4297 180 S 3.9512 8.9560 124.9990 59.9314 60.0218 171.2322 *183 D 5.0664 8.8472 123.1204 54.7526 42.2518 174.7462 184 L 4.9911 7.4738 116.7944 53.4894 46.7840 175.7365 185 Y 5.0383 8.7746 118.9496 56.8145 41.0958 174.9660 186 T 5.2717 8.2869 116.8659 62.0593 72.9063 172.9821 187 L 5.4012 9.5772 127.3751 53.8916 46.5564 174.7983 188 S 5.2458 8.4216 113.1337 57.6229 67.0103 172.9507 189 S 5.4691 9.3631 115.1553 56.9187 66.0610 172.7168 190 S 5.5484 9.5145 121.2793 56.5713 66.1939 173.2260 191 V 4.4495 8.4160 120.8575 60.1479 34.5303 174.1666 192 T 4.8557 8.1539 120.3180 62.0124 70.4140 173.9496 193 V 4.6016 8.3039 119.3476 59.1825 36.2581 175.1532 194 T 4.4923 8.2740 111.0566 61.0120 69.5666 175.9512 195 S 4.3262 8.5179 118.3727 61.4808 63.0858 176.1672 196 S 4.1680 7.5373 115.9775 61.5680 62.9863 175.4724 *198 T 4.9221 7.7293 115.2401 62.9509 70.0992 173.1002 199 W 5.0442 7.9040 129.5567 55.4054 32.1355 174.2001 200 P 3.0614 0.0000 0.0000 63.5964 30.4637 177.5073 *202 S 4.3700 7.3305 113.7792 58.5595 65.3144 173.4370 203 Q 4.3650 9.1271 119.0730 55.6741 29.9799 175.3580 204 S 4.6973 8.8211 119.3351 58.5084 64.0896 173.3527 205 I 4.9315 8.8263 124.9262 59.8603 39.9843 174.6936 206 T 5.3404 9.7134 122.3903 60.7393 73.1316 172.1638 *208 C 4.3809 8.4249 122.3072 56.5905 46.3606 171.8992 209 N 5.2819 8.7894 124.3403 51.6152 40.4037 173.9137 210 V 4.7852 9.0213 124.2420 60.8848 34.9557 174.2406 211 A 4.8730 8.8555 128.0807 50.7134 22.4784 174.5446 212 H 4.7666 8.9612 123.5629 52.9805 29.9774 172.3302 213 P 4.0113 0.0000 0.0000 65.1792 31.4925 178.4541 214 A 4.0846 7.7471 118.6210 54.4878 18.0752 178.1177 215 S 4.5173 7.9971 108.4626 57.3812 64.3540 174.6824 216 S 4.2207 8.3733 114.5756 60.1501 60.8761 171.8505 217 T 4.3409 7.1838 116.8950 62.8564 69.7816 174.3142 218 K 4.7420 8.4106 127.1692 55.4571 34.6791 175.3030 219 V 4.5386 9.0623 121.3224 59.5110 35.7697 174.5559 220 D 5.2019 8.6986 123.4216 52.3892 43.0586 175.2536 221 K 4.4718 9.2153 126.0011 54.2794 34.6508 174.7147 222 K 4.6670 8.6989 129.7287 56.0144 33.0586 176.0202 223 I 4.3226 8.6463 129.3637 61.0184 37.5170 175.4265 224 E 5.0506 8.9548 126.1166 53.4276 32.6324 174.1152 225 P 4.5814 0.0000 0.0000 63.7795 32.7528 174.3559 226 R 4.7497 7.8676 119.6228 54.5663 29.1621 175.1318 227 G 4.4703 8.4022 116.0488 48.0731 0.0000 172.2941 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 D 8.36 4.65 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 2 V 7.97 4.01 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 -0.04 0.00 0.00 0.80 0.00 0.00 3 K 9.74 5.10 0.00 1.77 1.56 0.00 1.41 0.00 0.00 1.53 0.00 0.00 2.69 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.39 7.81 4 L 8.82 4.90 0.00 1.50 1.53 1.09 0.66 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 5 V 8.53 4.29 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 1.12 0.00 0.00 0.78 0.00 0.00 6 E 8.97 4.93 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.49 0.00 7 S 8.72 4.57 0.00 3.87 4.09 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 0.00 0.00 0.00 0.00 8 G 8.79 3.62 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 0.00 0.00 0.00 9 G 6.46 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.85 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 0.00 0.00 0.00 11 L 7.73 4.41 0.00 1.70 1.63 1.24 1.05 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 12 V 8.60 4.53 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 0.93 0.00 0.00 0.94 0.00 0.00 13 Q 9.01 5.02 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.15 0.00 14 P 0.00 4.54 0.00 2.19 2.10 0.00 3.80 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 2.00 2.00 0.00 15 G 9.63 4.05 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 0.00 0.00 0.00 16 G 8.14 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 0.00 0.00 0.00 17 S 8.07 5.17 0.00 4.05 3.76 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 18 R 8.10 4.41 0.00 1.63 1.47 0.00 3.05 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.53 0.00 19 K 8.21 4.66 0.00 1.82 1.55 0.00 1.82 0.00 0.00 1.54 0.00 0.00 2.14 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.32 1.42 7.81 20 L 8.70 4.47 0.00 1.00 1.40 0.06 0.19 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 21 S 8.60 5.29 0.00 3.83 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 22 C 8.75 5.07 0.00 2.88 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 23 A 9.02 4.48 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.26 5.02 1.21 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 0.00 0.00 25 S 9.11 4.32 0.00 3.81 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 26 G 10.43 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 27 F 7.14 4.81 0.00 2.92 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 28 T 8.41 4.18 4.46 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 1.26 0.00 0.00 29 F 8.40 3.73 0.00 2.58 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 30 S 8.23 4.15 0.00 4.02 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 31 S 8.17 4.61 0.00 3.65 3.76 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 32 F 8.28 4.89 0.00 2.82 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 33 G 8.62 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 34 M 8.44 5.32 0.00 1.72 1.75 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 35 H 9.16 5.73 0.00 3.07 3.41 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 9.00 5.29 0.00 3.37 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 37 V 9.82 5.20 2.39 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 1.32 0.00 0.00 1.35 0.00 0.00 38 R 9.08 5.08 0.00 1.13 0.88 0.00 2.98 0.00 0.00 2.95 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.65 0.00 39 Q 8.58 4.82 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 40 A 8.89 4.45 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 41 P 0.00 3.98 0.00 2.11 2.09 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 42 E 7.89 4.66 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 43 K 7.87 4.66 0.00 1.74 1.71 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.37 7.81 44 G 8.19 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 45 L 8.18 4.44 0.00 1.56 1.68 0.86 0.77 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 46 E 9.24 4.74 0.00 2.04 1.78 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 2.25 2.36 0.00 47 W 9.22 4.65 0.00 3.43 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 0.00 48 V 8.10 4.06 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 1.06 0.00 0.00 49 A 6.55 4.41 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 50 Y 9.00 5.41 0.00 3.81 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.25 4.63 1.72 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 1.10 1.37 0.74 0.00 0.00 52 S 8.65 4.47 0.00 3.84 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52A S 8.66 3.85 0.00 3.99 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.00 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 54 S 7.93 3.75 0.00 4.01 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 55 S 7.56 4.42 0.00 4.01 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 56 T 8.51 4.63 4.17 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 0.80 0.00 0.00 57 I 8.12 4.88 1.81 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 1.20 0.51 0.47 0.00 0.00 58 Y 9.11 5.36 0.00 3.45 3.36 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 59 Y 8.80 5.25 0.00 2.91 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 60 A 8.81 4.47 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 9.05 4.40 0.00 2.73 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.13 3.95 4.17 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 1.16 0.00 0.00 63 V 7.33 3.65 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 -0.12 0.00 0.00 0.83 0.00 0.00 64 K 7.46 3.95 0.00 1.98 1.85 0.00 1.90 0.00 0.00 1.90 0.00 0.00 3.14 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.41 7.81 65 G 8.81 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 66 R 8.02 4.56 0.00 1.87 2.39 0.00 3.32 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 67 F 8.04 5.92 0.00 2.66 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 68 T 8.22 4.74 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 69 I 8.99 4.92 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.34 0.80 0.00 0.00 70 S 8.73 4.96 0.00 4.13 4.03 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 71 R 8.50 5.16 0.00 2.14 2.01 0.00 2.85 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 72 D 9.69 4.86 0.00 3.07 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 73 N 9.11 4.65 0.00 2.95 2.99 0.00 0.00 6.78 8.03 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 74 P 0.00 4.54 0.00 2.18 2.17 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 75 K 8.15 4.35 0.00 1.86 1.97 0.00 1.93 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.35 7.81 76 N 7.48 3.55 0.00 2.65 2.44 0.00 0.00 6.77 6.35 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 77 T 6.66 4.62 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 78 L 8.19 5.10 0.00 1.89 1.46 1.04 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 79 F 9.44 5.69 0.00 3.10 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 80 L 8.56 4.41 0.00 0.27 0.55 0.25 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.14 4.60 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.60 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 82 M 8.84 3.92 0.00 1.19 1.55 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.81 0.00 82A T 7.99 4.64 4.51 0.00 0.00 0.00 0.00 0.00 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 82B S 8.46 3.84 0.00 4.01 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 82C L 7.90 4.30 0.00 1.83 1.64 0.79 0.68 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 83 R 8.59 4.56 0.00 2.06 1.90 0.00 3.31 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 84 S 8.47 4.29 0.00 4.05 4.16 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 85 E 8.20 4.08 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 86 D 7.94 4.73 0.00 3.09 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 87 T 8.23 4.49 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 88 A 8.36 4.51 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 89 M 8.54 4.77 0.00 2.15 1.94 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 2.02 2.35 0.00 90 Y 9.22 5.04 0.00 3.04 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 91 Y 9.52 5.43 0.00 2.98 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 92 C 9.10 4.65 0.00 2.18 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.08 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.44 4.07 0.00 1.52 1.75 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.25 0.00 95 G 8.53 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 96 D 8.17 4.83 0.00 2.91 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 97 Y 7.71 3.56 0.00 3.15 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 98 Y 8.33 3.89 0.00 2.99 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 99 G 8.18 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.29 5.12 0.00 3.88 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 100A R 9.17 4.06 0.00 1.74 1.87 0.00 3.08 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 100B G 8.59 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.91 4.10 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.96 4.52 0.00 2.71 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 W 7.80 4.56 0.00 3.37 3.39 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 0.00 104 G 6.28 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 0.00 0.00 0.00 105 Q 8.15 4.71 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.41 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 106 G 10.39 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 0.00 107 T 8.36 4.60 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 1.40 0.00 0.00 108 L 8.64 4.94 0.00 1.81 1.48 1.00 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 0.00 109 V 8.66 4.93 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 0.49 0.00 0.00 0.82 0.00 0.00 110 T 8.38 4.89 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 1.32 0.00 0.00 111 V 8.40 4.92 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 1.13 0.00 0.00 1.05 0.00 0.00 112 S 8.89 4.40 0.00 4.07 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 0.00 113 A 8.77 3.89 1.08 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 0.00 0.00 110 K 8.52 4.86 0.00 1.61 1.55 0.00 0.95 0.00 0.00 1.67 0.00 0.00 2.13 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.07 7.81 111 T 8.52 5.15 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 1.33 0.00 0.00 112 T 8.73 4.28 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 113 A 8.77 3.89 1.08 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 0.00 0.00 119 P 0.00 4.84 0.00 2.00 1.93 0.00 3.68 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 1.87 1.76 0.00 120 S 8.73 4.49 0.00 3.55 3.28 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 0.00 121 V 7.97 4.37 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 0.66 0.00 0.00 0.77 0.00 0.00 122 Y 8.90 5.17 0.00 2.94 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 0.00 123 P 0.00 4.90 0.00 2.18 2.14 0.00 3.93 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 124 L 8.88 4.62 0.00 1.80 1.69 0.99 0.57 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 0.00 125 A 8.23 4.49 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 0.00 126 P 0.00 4.40 0.00 2.33 1.99 0.00 3.65 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 127 V 9.50 3.92 2.27 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 0.73 0.00 0.00 0.97 0.00 0.00 128 C 7.53 4.39 0.00 3.05 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 0.00 129 G 7.91 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.21 4.21 0.00 2.69 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 *133 T 7.47 4.56 4.58 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 1.24 0.00 0.00 134 T 8.46 4.32 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 135 G 6.72 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 S 8.59 4.48 0.00 3.91 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 0.00 137 S 8.08 5.26 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 0.00 138 V 8.49 4.66 2.16 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 0.88 0.00 0.00 0.92 0.00 0.00 139 T 8.40 4.97 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 140 L 8.68 4.63 0.00 1.13 1.27 0.39 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.90 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 0.00 142 C 9.32 5.48 0.00 2.98 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 0.00 143 L 9.34 5.13 0.00 1.88 1.72 1.07 0.71 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 0.00 144 V 9.16 4.76 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 0.73 0.00 0.00 0.87 0.00 0.00 145 K 8.81 4.82 0.00 1.92 1.98 0.00 1.63 0.00 0.00 1.93 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.59 1.54 7.81 146 G 8.54 4.05 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 0.00 0.00 0.00 147 Y 6.88 5.27 0.00 2.98 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 0.00 148 F 8.82 5.19 0.00 3.13 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 3.67 0.00 1.65 1.15 0.00 3.86 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.88 0.00 150 E 8.18 4.17 0.00 1.66 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 1.47 1.47 0.00 151 P 0.00 4.69 0.00 2.09 2.00 0.00 3.61 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 152 V 7.72 4.41 1.63 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 0.55 0.00 0.00 -0.32 0.00 0.00 153 T 8.98 4.58 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 154 L 8.39 5.73 0.00 1.54 1.36 0.80 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 *156 T 8.26 4.72 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 0.00 157 W 8.37 4.81 0.00 3.49 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 *162 N 8.19 4.75 0.00 2.96 2.90 0.00 0.00 7.30 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 0.00 163 S 10.30 3.81 0.00 3.92 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 G 8.11 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 0.00 0.00 0.00 165 S 8.34 4.08 0.00 3.95 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 0.00 166 L 7.83 4.46 0.00 1.66 1.94 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 167 S 8.39 4.65 0.00 3.96 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 0.00 168 S 7.96 4.25 0.00 3.82 3.75 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 0.00 169 G 8.51 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 *171 V 7.40 4.28 1.82 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 0.79 0.00 0.00 1.18 0.00 0.00 172 H 9.06 4.69 0.00 2.61 2.48 0.00 5.57 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 T 8.27 4.88 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 1.31 0.00 0.00 174 F 8.81 4.40 0.00 3.16 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 0.00 175 P 0.00 4.45 0.00 2.25 2.13 0.00 3.92 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 176 A 8.54 4.47 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 0.00 177 V 8.63 4.40 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.00 0.00 0.00 178 L 8.65 4.23 0.00 1.29 1.43 0.04 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 179 Q 8.69 4.28 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 5.25 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 180 S 8.96 3.95 0.00 4.06 3.25 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 *183 D 8.85 5.07 0.00 2.52 2.41 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 0.00 184 L 7.47 4.99 0.00 1.40 1.43 0.89 1.08 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 0.00 185 Y 8.77 5.04 0.00 1.43 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 0.00 0.00 0.00 186 T 8.29 5.27 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 1.35 0.00 0.00 187 L 9.58 5.40 0.00 1.84 1.72 0.99 0.77 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 0.00 188 S 8.42 5.25 0.00 4.07 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 0.00 189 S 9.36 5.47 0.00 4.09 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 0.00 190 S 9.51 5.55 0.00 3.96 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 0.00 191 V 8.42 4.45 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 -0.27 0.00 0.00 0.42 0.00 0.00 192 T 8.15 4.86 4.16 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 1.16 0.00 0.00 193 V 8.30 4.60 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 0.62 0.00 0.00 0.96 0.00 0.00 194 T 8.27 4.49 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 1.21 0.00 0.00 195 S 8.52 4.33 0.00 4.05 4.09 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 0.00 0.00 0.00 0.00 196 S 7.54 4.17 0.00 4.04 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 *198 T 7.73 4.92 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 199 W 7.90 5.04 0.00 3.18 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 0.00 200 P 0.00 3.06 0.00 1.59 1.02 0.00 3.49 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.50 0.00 *202 S 7.33 4.37 0.00 4.03 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 Q 9.13 4.37 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 204 S 8.82 4.70 0.00 3.96 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 I 8.83 4.93 2.01 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 1.46 1.42 1.07 0.00 0.00 206 T 9.71 5.34 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 1.27 0.00 0.00 *208 C 8.42 4.38 0.00 2.24 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 0.00 209 N 8.79 5.28 0.00 2.55 2.61 0.00 0.00 5.98 7.60 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 0.00 210 V 9.02 4.79 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 0.79 0.00 0.00 0.72 0.00 0.00 211 A 8.86 4.87 1.10 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 0.00 0.00 212 H 8.96 4.77 0.00 2.96 3.05 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 P 0.00 4.01 0.00 2.05 1.97 0.00 3.69 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 1.97 1.99 0.00 214 A 7.75 4.08 1.12 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 0.00 0.00 215 S 8.00 4.52 0.00 3.94 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 0.00 216 S 8.37 4.22 0.00 3.95 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 0.00 217 T 7.18 4.34 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 1.16 0.00 0.00 218 K 8.41 4.74 0.00 1.65 1.61 0.00 1.67 0.00 0.00 1.95 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.37 7.81 219 V 9.06 4.54 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 0.67 0.00 0.00 0.82 0.00 0.00 220 D 8.70 5.20 0.00 2.49 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 0.00 221 K 9.22 4.47 0.00 1.73 1.62 0.00 1.51 0.00 0.00 1.53 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.42 7.81 222 K 8.70 4.67 0.00 1.88 1.78 0.00 1.89 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.75 7.81 223 I 8.65 4.32 1.94 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 1.48 1.13 0.89 0.00 0.00 224 E 8.95 5.05 0.00 2.04 1.90 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 2.28 2.42 0.00 225 P 0.00 4.58 0.00 1.92 1.81 0.00 3.57 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.93 0.00 226 R 7.87 4.75 0.00 1.96 1.76 0.00 3.28 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 227 G 8.40 4.47 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.