NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7325 8.3501 109.7318 45.2803 0.0000 174.1600 *2 A 4.4328 7.7001 121.0175 51.7412 19.8177 175.3157 3 K 5.0354 8.8621 122.0209 55.0639 35.8948 174.7663 4 H 5.7030 9.8215 123.1476 54.0336 33.1880 172.2103 5 A 5.2150 9.0986 122.6721 50.3082 22.0761 175.0392 6 I 4.7756 8.6358 123.3162 59.7343 39.5439 174.6611 7 L 4.9372 8.7583 127.6725 53.1755 43.7334 175.5754 8 V 5.1574 8.6124 124.8074 60.7358 33.5960 174.3537 9 I 4.6103 8.4843 129.5762 60.2469 39.3578 171.4715 10 D 4.4677 8.8750 134.2270 53.7781 41.7150 173.5961 *12 L 4.1234 8.0042 121.9511 54.2288 42.8778 177.5475 13 N 4.0530 7.9307 117.9874 56.4001 38.6514 176.9458 14 D 4.2934 7.7100 117.9822 56.2190 41.1916 177.9591 15 F 5.3723 8.2195 116.7850 56.6558 40.9916 175.3001 16 V 4.4437 8.2348 119.9621 61.3158 33.0608 173.9262 17 G 4.8322 8.9270 112.1912 42.6055 0.0000 174.1902 18 E 3.9202 8.9209 122.9434 59.7126 29.4962 179.2485 19 K 4.3327 7.9475 116.3433 54.3884 32.3484 178.6590 20 A 4.3628 7.6848 121.8185 52.5732 18.8198 176.3610 21 P 4.4641 0.0000 0.0000 65.0461 32.2571 176.9231 22 L 5.0034 7.8069 116.3393 52.9910 41.2691 176.5736 23 R 4.3669 8.0889 119.5574 56.6922 31.6788 175.8560 24 C 4.4473 9.3553 127.3280 57.1458 32.9876 172.5257 25 P 4.5020 0.0000 0.0000 65.5329 30.9954 178.8846 26 G 3.7894 7.3678 105.5712 46.8866 0.0000 175.7700 27 G 3.6757 8.1181 108.3749 47.6737 0.0000 175.5852 28 E 4.0111 7.8644 119.1360 59.4304 29.2985 179.3840 29 T 3.9034 7.6356 109.6548 63.8089 69.0063 175.4300 30 I 4.1886 7.2926 113.5083 61.0176 38.1449 177.4980 31 I 3.6350 7.4930 122.6806 64.2190 36.9372 176.3343 32 P 4.2399 0.0000 0.0000 65.6223 31.2407 178.4153 33 D 4.3692 7.9746 117.2812 57.3390 40.7376 178.6683 34 L 4.0346 7.8973 119.5622 57.7865 41.5475 179.5351 35 Q 3.6552 7.9815 118.0680 58.6205 28.6047 178.7558 36 K 3.9827 8.0456 120.6237 59.6647 32.1939 178.9630 37 I 4.0006 7.8771 120.0731 64.4195 36.9442 178.4392 38 F 4.3892 9.3194 121.6641 61.3497 38.7142 178.2209 39 E 4.0567 8.4484 117.9246 60.8914 29.5468 180.7480 40 W 4.3241 8.4528 129.7396 60.2664 30.5912 178.3473 41 V 2.8012 8.2150 117.3483 65.8818 31.0749 177.8897 42 R 4.0483 8.4833 117.4311 59.1535 29.9342 178.9996 43 G 3.6169 8.5084 105.5036 46.7203 0.0000 174.4637 44 R 3.7261 6.9968 122.4969 56.5694 30.6283 175.9899 45 E 4.3306 8.1729 119.2118 55.5347 31.3619 175.8889 46 G 3.8433 8.7925 107.2364 44.5617 0.0000 172.4806 47 D 4.8170 8.1411 115.2800 53.8001 42.0467 177.2509 48 D 4.6263 8.1966 119.8863 56.0845 42.0032 176.5290 49 I 5.1062 6.9445 114.9541 59.7024 40.1203 175.1454 50 H 5.0073 9.0626 122.9089 54.0024 32.3576 172.8811 51 L 5.0289 8.3249 119.8012 52.9809 43.8691 176.1255 52 V 4.4227 8.7151 123.5540 61.3328 34.6894 173.5975 53 H 5.1956 8.9790 125.1981 54.1742 31.0589 173.6229 54 I 5.1237 8.9551 124.5542 59.4377 40.0736 174.5149 55 Q 4.7296 8.8205 125.0377 53.7528 31.4007 174.5588 56 E 4.4794 8.9571 124.8024 56.4188 30.1745 177.1080 57 A 4.7101 8.7587 128.4735 50.6025 18.7082 175.1918 58 H 4.4260 9.1212 119.4517 54.6878 30.5972 176.2209 59 R 4.2422 8.5479 121.8640 56.4140 30.6408 177.7067 60 K 4.1884 8.4520 124.3647 55.2117 32.8840 180.3940 61 N 4.6728 8.2983 122.3814 51.1985 38.0857 172.8444 *67 V 3.9110 8.1607 115.2966 64.2191 32.5099 176.3753 68 R 4.0513 8.5462 126.5709 55.9196 30.9421 175.8709 69 P 4.6051 0.0000 0.0000 61.7961 29.9655 176.0130 70 L 4.4572 7.5528 117.1421 55.8603 42.8423 176.5371 71 H 5.2214 7.6254 114.4056 53.4119 33.0904 173.0797 72 A 4.1839 8.9316 123.1407 52.2644 19.6743 176.6894 73 V 4.7800 8.0780 120.9268 60.4573 34.5265 175.0130 74 K 4.1214 8.9521 129.2157 57.8622 32.3855 177.2965 75 G 3.9629 8.9467 114.9163 45.9035 0.0000 173.9359 76 T 4.3498 7.1918 109.7621 60.5153 71.4745 175.0730 77 W 4.3453 8.7514 130.2419 60.5205 30.6598 177.9696 78 G 3.8050 8.1050 106.6231 47.2647 0.0000 175.3610 79 S 3.8523 7.3353 112.6703 59.4170 62.9290 174.0146 80 D 4.2782 6.8150 121.0492 53.3914 41.7174 175.4430 81 F 4.5204 8.1817 123.0210 57.0626 39.7758 175.5705 82 I 4.1918 8.2247 117.2434 60.1180 38.2988 175.3829 83 P 4.3908 0.0000 0.0000 65.6616 31.3530 177.8927 84 E 4.2079 8.2354 114.8286 58.3058 29.7074 176.8527 85 L 4.7753 7.7519 119.8697 54.3194 42.7971 176.1100 86 Y 4.0094 8.2518 118.8160 56.5872 39.5471 173.4673 87 P 4.0172 0.0000 0.0000 62.5640 32.1551 176.1217 88 Q 4.4895 10.1585 123.3324 54.8236 30.5485 177.6203 89 E 3.9381 8.8123 117.4654 59.6113 29.7375 177.4714 90 D 4.8600 7.9620 115.0274 52.9552 40.0193 177.6184 91 E 4.6761 7.7740 119.9272 55.5741 30.8774 175.6443 92 Y 4.0586 8.6380 126.0796 57.8070 40.1219 174.4294 93 I 4.7920 7.3338 126.1093 59.3318 40.2774 174.8822 94 V 4.4000 8.7556 126.6228 60.9071 34.2928 173.9311 95 Q 5.2923 8.6759 125.6235 54.3021 30.5819 174.8136 96 K 4.7536 8.8087 121.0733 55.2951 35.8999 176.7755 97 R 4.4045 8.7242 118.7026 56.0999 31.1469 175.3006 98 R 4.6837 7.4399 115.7303 54.4553 34.5247 174.8425 99 H 4.3456 8.7561 115.2607 59.2472 28.7972 176.7925 100 S 4.4065 8.0199 113.9391 57.6667 62.9210 175.0506 101 G 3.6109 8.5287 116.0708 48.5433 0.0000 175.0983 102 F 4.2001 8.3760 118.3453 59.7987 39.1769 175.2075 103 A 4.1550 7.7162 124.3123 52.7948 18.0781 176.4680 104 H 4.1489 8.8326 119.9129 57.2924 26.2773 174.3772 105 T 4.7243 7.5870 108.8860 59.9246 71.5754 173.5696 106 D 4.9124 8.3495 117.9370 53.4681 39.6652 177.8190 107 L 3.9032 7.7331 124.2290 58.7513 41.9234 178.4670 108 D 4.6030 8.2249 117.5619 57.3447 41.2017 177.7647 109 L 4.0017 8.0018 120.4083 58.2954 42.1584 178.1420 110 Y 4.0530 7.9520 120.7803 60.1460 38.7546 178.0095 111 L 3.9304 8.2929 120.0243 57.6838 41.6815 179.6964 112 K 4.0506 8.5655 118.8237 59.6110 32.1195 179.2580 113 E 3.9391 8.3572 119.0160 58.9959 29.1349 178.3001 114 E 4.3507 7.6337 115.6346 55.0442 29.9078 176.2962 115 G 3.9354 7.7060 107.0119 46.5085 0.0000 174.1939 116 I 4.1841 7.6772 120.3403 60.5909 38.1374 175.9006 117 D 5.1041 8.7876 123.0128 53.6861 41.7933 176.0110 118 T 5.3378 8.0070 115.7552 61.8268 72.7652 173.0391 119 V 4.9496 8.9896 118.8179 59.6183 35.1283 174.9670 120 V 4.8843 8.9169 118.0086 59.5675 34.7228 174.5033 121 L 4.9973 9.0440 125.7164 53.5757 43.6948 175.8131 122 T 4.8365 9.1355 112.8079 60.6535 73.1464 172.5841 123 G 4.1548 8.8265 106.5565 44.1914 0.0000 173.1471 124 V 4.9839 7.7690 117.6199 59.8099 34.8234 174.9040 125 W 5.4354 8.3183 120.2822 55.5988 30.5005 177.7849 126 T 3.8966 8.7498 118.6901 66.7433 67.9823 175.7127 127 N 4.9195 8.1433 114.7980 52.7776 39.0123 174.7455 128 V 3.9950 7.6111 116.5651 63.5995 33.5508 176.8958 129 C 4.1096 8.7393 117.0918 62.7270 28.7673 175.2155 130 V 3.6219 7.8992 119.9495 65.9772 31.1764 178.0937 131 R 3.9595 7.6769 117.0866 59.5428 29.9671 178.4285 132 S 4.1761 8.3882 113.1369 61.7248 62.4026 176.2741 133 T 4.1180 8.0598 118.1241 66.5429 68.1892 176.5475 134 A 4.1559 8.4210 122.9075 55.5467 18.4644 179.8515 135 T 3.7250 8.1994 114.2320 66.9586 68.4077 176.7298 136 D 4.2159 8.2460 120.5492 57.0408 40.8528 178.7531 137 A 3.7033 7.9638 121.3949 54.9897 18.4160 179.4069 138 L 4.1187 7.9944 118.6634 58.3287 41.9276 179.0732 139 A 3.9693 7.8148 119.7531 54.4499 18.2822 178.2930 140 N 4.5890 7.4044 112.5166 52.6655 38.8495 175.4915 141 A 3.7105 7.7464 121.9474 52.6204 16.8272 178.1225 142 Y 4.5130 7.4141 114.6999 58.5725 38.8357 176.0534 143 K 4.3552 8.9557 122.3721 56.4642 33.8506 176.1496 144 V 4.9247 8.4420 122.5461 61.2206 34.7821 174.0346 145 I 5.0292 8.8981 128.2815 59.8023 40.5819 174.4561 146 T 4.7769 9.1134 122.9394 61.7228 71.6330 173.2838 147 L 4.6093 8.2508 126.7184 53.2166 42.2697 177.6787 148 S 4.0697 8.9058 120.1869 61.0760 63.0391 175.0659 149 D 4.6624 8.0961 117.2211 52.9929 39.7839 176.4668 150 G 4.1764 8.1439 107.1824 46.5596 0.0000 173.3823 151 T 5.3827 7.5312 109.0215 60.2140 72.4773 172.4264 152 A 4.2983 8.3445 122.0339 51.7045 23.4958 174.7425 153 S 4.4199 7.8561 112.5337 56.6545 65.9960 174.3217 154 K 3.4313 7.4549 121.0906 58.5915 31.8245 176.5066 155 T 4.6438 6.9125 105.8126 59.2796 72.1357 173.5484 156 E 4.0308 8.5845 121.4599 59.6812 29.8597 179.9333 157 E 3.8665 7.6389 115.4510 57.2445 29.0327 178.2064 *159 H 4.5071 8.2974 120.8960 56.2199 31.8652 174.9451 160 E 3.8399 8.1577 119.7379 59.4914 29.4641 178.4697 161 Y 4.3622 7.8634 117.9324 59.8993 38.0478 178.3009 162 G 3.5988 7.6441 107.1591 47.7339 0.0000 175.5321 163 L 3.9671 7.9836 121.6462 57.2844 41.3008 179.1746 164 N 4.3141 7.7091 116.0318 56.7414 39.2052 176.3746 165 D 4.5694 8.1885 120.3190 57.4861 41.0379 178.8026 166 L 3.3981 7.9766 119.6713 57.4003 41.3520 179.4262 167 S 4.3513 7.8472 112.7032 60.3605 63.0239 176.2995 168 I 3.9505 7.3735 123.9910 63.7203 37.0090 176.7036 169 F 4.9890 7.3631 109.9150 56.5247 38.4331 174.3979 170 T 4.7065 7.4466 116.4250 61.9087 72.7452 173.0330 171 K 4.3772 8.7626 125.2059 55.3592 33.5225 175.4843 172 V 5.2813 8.5010 127.1708 60.5750 33.9193 174.8219 *174 T 4.2957 8.1954 115.2289 61.1713 70.1162 175.0132 175 V 3.6027 8.9339 121.6647 66.3928 31.3355 178.0422 176 D 4.3128 8.0216 118.1083 57.3960 40.6114 178.6240 177 Q 3.9812 8.1305 118.6779 58.9598 28.4616 178.1533 178 Y 4.1100 7.8420 119.6766 60.7618 39.1872 177.8047 179 I 3.0812 7.6139 120.7167 64.2309 37.1439 178.2560 180 Q 3.9738 8.3496 120.4522 58.9957 28.6287 177.9224 181 A 4.0519 7.9008 120.6643 53.8048 18.4625 178.5762 182 W 4.3373 7.8720 115.8410 57.2768 29.5431 176.2502 183 E 4.3747 8.1220 123.9599 56.3988 29.3050 175.6408 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 0 G 8.35 3.73 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 0.00 0.00 0.00 *2 A 7.70 4.43 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.86 5.04 0.00 1.83 1.78 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.59 7.81 4 H 9.82 5.70 0.00 3.32 3.43 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 9.10 5.22 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 6 I 8.64 4.78 1.90 0.00 0.00 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 1.30 0.90 1.00 0.00 0.00 7 L 8.76 4.94 0.00 1.59 1.55 0.89 0.44 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 8 V 8.61 5.16 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 1.41 0.00 0.00 1.02 0.00 0.00 9 I 8.48 4.61 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.89 0.95 0.00 0.00 10 D 8.87 4.47 0.00 3.04 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 *12 L 8.00 4.12 0.00 1.36 1.51 0.79 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.93 4.05 0.00 1.74 1.42 0.00 0.00 6.99 7.84 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 14 D 7.71 4.29 0.00 2.07 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 0.00 0.00 0.00 0.00 15 F 8.22 5.37 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 16 V 8.23 4.44 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 1.02 0.00 0.00 17 G 8.93 4.83 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 0.00 0.00 0.00 18 E 8.92 3.92 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 19 K 7.95 4.33 0.00 1.77 1.70 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.32 1.00 7.81 20 A 7.68 4.36 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.46 0.00 2.22 2.19 0.00 3.84 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 22 L 7.81 5.00 0.00 2.01 1.82 1.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.09 4.37 0.00 2.07 1.89 0.00 3.51 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 24 C 9.36 4.45 0.00 3.03 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 25 P 0.00 4.50 0.00 2.08 2.02 0.00 3.42 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 2.11 2.08 0.00 26 G 7.37 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 0.00 0.00 0.00 27 G 8.12 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 28 E 7.86 4.01 0.00 2.28 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 0.00 2.42 2.30 0.00 29 T 7.64 3.90 4.19 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 1.16 0.00 0.00 30 I 7.29 4.19 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 1.63 0.66 0.92 0.00 0.00 31 I 7.49 3.63 1.84 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 1.49 1.08 0.86 0.00 0.00 32 P 0.00 4.24 0.00 2.13 2.07 0.00 3.65 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 2.09 2.15 0.00 33 D 7.97 4.37 0.00 2.66 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 34 L 7.90 4.03 0.00 1.50 1.41 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.98 3.66 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 36 K 8.05 3.98 0.00 1.97 2.03 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.51 7.81 37 I 7.88 4.00 2.25 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.92 1.25 0.00 0.00 38 F 9.32 4.39 0.00 3.12 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 39 E 8.45 4.06 0.00 2.00 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 2.24 2.19 0.00 40 W 8.45 4.32 0.00 3.43 3.53 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 41 V 8.22 2.80 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.96 0.00 0.00 42 R 8.48 4.05 0.00 1.95 1.95 0.00 3.43 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 43 G 8.51 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 44 R 7.00 3.73 0.00 1.05 1.23 0.00 2.21 0.00 0.00 2.49 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.19 0.00 45 E 8.17 4.33 0.00 2.02 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.86 0.00 46 G 8.79 3.84 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 0.00 0.00 0.00 47 D 8.14 4.82 0.00 2.64 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 70 L 7.55 4.46 0.00 1.55 1.58 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 71 H 7.63 5.22 0.00 2.72 3.03 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.93 4.18 1.07 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 0.00 0.00 73 V 8.08 4.78 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 0.97 0.00 0.00 0.96 0.00 0.00 74 K 8.95 4.12 0.00 1.93 1.74 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.37 7.81 75 G 8.95 3.96 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 0.00 0.00 0.00 76 T 7.19 4.35 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 1.23 0.00 0.00 77 W 8.75 4.35 0.00 3.39 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 78 G 8.10 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 0.00 0.00 0.00 79 S 7.34 3.85 0.00 3.82 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 80 D 6.81 4.28 0.00 2.69 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 81 F 8.18 4.52 0.00 2.65 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 82 I 8.22 4.19 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.83 0.92 0.00 0.00 83 P 0.00 4.39 0.00 2.11 2.17 0.00 3.75 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 2.10 2.12 0.00 84 E 8.24 4.21 0.00 2.04 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 0.00 2.29 2.27 0.00 85 L 7.75 4.78 0.00 1.66 1.70 0.83 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 8.25 4.01 0.00 3.12 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 87 P 0.00 4.02 0.00 1.60 1.24 0.00 2.20 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.46 0.00 88 Q 10.16 4.49 0.00 2.37 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 89 E 8.81 3.94 0.00 1.98 1.87 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 2.23 1.88 0.00 90 D 7.96 4.86 0.00 2.68 2.56 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 91 E 7.77 4.68 0.00 1.87 1.84 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 2.16 2.15 0.00 92 Y 8.64 4.06 0.00 2.71 2.31 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 93 I 7.33 4.79 1.62 0.00 0.00 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 0.94 0.72 0.95 0.00 0.00 94 V 8.76 4.40 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 0.96 0.00 0.00 0.90 0.00 0.00 95 Q 8.68 5.29 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.53 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 96 K 8.81 4.75 0.00 1.83 1.90 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.30 1.39 7.81 97 R 8.72 4.40 0.00 1.72 1.80 0.00 3.11 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 98 R 7.44 4.68 0.00 1.74 1.77 0.00 3.33 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 99 H 8.76 4.35 0.00 3.14 3.32 0.00 5.72 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.02 4.41 0.00 3.93 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 0.00 101 G 8.53 3.61 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 0.00 0.00 0.00 102 F 8.38 4.20 0.00 3.29 3.10 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 0.00 103 A 7.72 4.15 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 0.00 104 H 8.83 4.15 0.00 3.31 3.41 0.00 5.84 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.59 4.72 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 1.37 0.00 0.00 106 D 8.35 4.91 0.00 3.00 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 0.00 107 L 7.73 3.90 0.00 1.60 1.36 0.70 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.22 4.60 0.00 3.25 2.85 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 0.00 109 L 8.00 4.00 0.00 1.86 1.90 0.94 0.88 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 0.00 110 Y 7.95 4.05 0.00 2.79 2.92 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 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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 1.07 0.00 0.00 120 V 8.92 4.88 1.86 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 0.81 0.00 0.00 0.65 0.00 0.00 121 L 9.04 5.00 0.00 1.58 1.59 0.98 0.50 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 0.00 122 T 9.14 4.84 4.37 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 1.23 0.00 0.00 123 G 8.83 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 0.00 0.00 0.00 124 V 7.77 4.98 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 0.93 0.00 0.00 0.94 0.00 0.00 125 W 8.32 5.44 0.00 3.30 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 0.00 126 T 8.75 3.90 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 1.17 0.00 0.00 127 N 8.14 4.92 0.00 2.96 2.86 0.00 0.00 5.72 7.68 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 0.00 128 V 7.61 3.99 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 0.67 0.00 0.00 0.81 0.00 0.00 129 C 8.74 4.11 0.00 2.91 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 0.00 130 V 7.90 3.62 2.43 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 1.10 0.00 0.00 0.99 0.00 0.00 131 R 7.68 3.96 0.00 2.23 2.13 0.00 3.43 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 132 S 8.39 4.18 0.00 4.05 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 0.00 133 T 8.06 4.12 4.49 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 1.36 0.00 0.00 134 A 8.42 4.16 1.56 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 0.00 0.00 135 T 8.20 3.73 4.41 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 1.07 0.00 0.00 136 D 8.25 4.22 0.00 2.88 2.34 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 0.00 137 A 7.96 3.70 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.12 0.00 1.97 1.69 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.81 3.97 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 0.00 140 N 7.40 4.59 0.00 2.67 2.93 0.00 0.00 7.06 7.23 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 0.00 141 A 7.75 3.71 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Y 7.41 4.51 0.00 3.12 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 K 8.96 4.36 0.00 1.94 1.78 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.43 7.81 144 V 8.44 4.92 2.17 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 1.08 0.00 0.00 1.12 0.00 0.00 145 I 8.90 5.03 1.85 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.55 0.97 0.00 0.00 146 T 9.11 4.78 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 1.17 0.00 0.00 147 L 8.25 4.61 0.00 1.75 1.59 0.72 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 148 S 8.91 4.07 0.00 3.98 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 D 8.10 4.66 0.00 2.78 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 0.00 150 G 8.14 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 T 7.53 5.38 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 1.33 0.00 0.00 152 A 8.34 4.30 1.09 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 0.00 153 S 7.86 4.42 0.00 3.86 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 0.00 154 K 7.45 3.43 0.00 0.79 1.04 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.12 1.03 7.81 155 T 6.91 4.64 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 1.08 0.00 0.00 156 E 8.58 4.03 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 157 E 7.64 3.87 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 *159 H 8.30 4.51 0.00 3.03 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.16 3.84 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 161 Y 7.86 4.36 0.00 3.19 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 0.00 162 G 7.64 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 0.00 163 L 7.98 3.97 0.00 1.76 1.65 0.75 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 164 N 7.71 4.31 0.00 2.91 2.99 0.00 0.00 7.25 9.28 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 0.00 165 D 8.19 4.57 0.00 3.00 2.85 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 0.00 166 L 7.98 3.40 0.00 1.70 1.47 0.91 0.38 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 0.00 167 S 7.85 4.35 0.00 3.99 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 0.00 168 I 7.37 3.95 2.22 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.82 1.05 0.00 0.00 169 F 7.36 4.99 0.00 3.08 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 0.00 170 T 7.45 4.71 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 1.16 0.00 0.00 171 K 8.76 4.38 0.00 1.84 1.69 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.37 7.81 172 V 8.50 5.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.85 0.00 0.00 *174 T 8.20 4.30 4.41 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 1.28 0.00 0.00 175 V 8.93 3.60 2.07 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 1.00 0.00 0.00 1.00 0.00 0.00 176 D 8.02 4.31 0.00 2.70 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 0.00 177 Q 8.13 3.98 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 178 Y 7.84 4.11 0.00 2.93 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 0.00 179 I 7.61 3.08 1.66 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.30 0.17 0.00 0.00 180 Q 8.35 3.97 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 181 A 7.90 4.05 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 0.00 0.00 182 W 7.87 4.34 0.00 3.60 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 0.00 183 E 8.12 4.37 0.00 1.98 1.87 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 2.33 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.