NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5007 8.1633 120.3279 54.7619 34.2673 176.8887 2 D 4.1956 8.1159 121.3637 56.9546 40.7584 176.9189 3 K 3.9434 8.8588 119.8547 59.6251 32.4876 178.9956 4 I 3.6285 7.6372 119.4416 64.2133 37.0702 178.3434 5 K 4.1416 8.3083 119.5313 59.5931 31.8557 179.1183 6 Q 3.9769 8.5280 120.1859 58.9715 28.9404 178.0209 7 L 3.8742 7.8437 121.3004 58.2889 42.1382 178.8679 8 F 4.4605 8.0801 117.4343 60.6039 38.7750 177.5615 9 A 4.1212 8.5702 120.6068 55.2850 18.1708 179.2248 10 N 4.3195 8.8322 115.3366 56.7221 38.6046 177.0820 11 N 4.5146 8.7064 118.6307 56.8614 38.9865 176.2565 12 Y 4.1308 8.4624 120.8773 60.8966 38.9928 177.7997 13 S 4.1084 8.4553 116.2763 61.4971 62.9369 176.6558 14 W 4.0960 8.5792 130.5738 60.5823 30.5570 177.8580 15 A 2.9489 8.3611 120.9543 54.8102 17.7351 179.4218 16 Q 3.5936 8.0508 118.4827 59.0006 28.9319 178.2026 17 R 4.1607 7.6430 121.1292 58.9348 29.8465 177.8429 18 M 3.7094 7.5305 117.0536 58.5414 32.1425 177.8643 19 K 3.9631 7.4329 118.0740 59.4456 32.7197 178.3285 20 E 4.0869 8.2636 116.7939 58.6652 29.4318 176.5831 21 E 4.1730 7.8131 119.6750 57.4183 31.2805 175.2590 *32 H 4.5869 7.7239 117.5286 55.9069 30.4228 173.5671 33 Q 4.1550 7.9604 121.0965 58.0016 29.9320 175.6729 34 T 4.5474 7.6276 114.2531 60.6608 70.4197 172.4050 35 P 4.7212 0.0000 0.0000 63.2949 32.7188 175.6382 36 H 4.7364 8.9936 114.5847 55.7783 30.6430 173.3885 37 Y 5.2579 7.8466 116.2069 56.3057 42.7074 173.5221 38 L 5.2322 9.0444 126.0544 53.7108 44.1501 174.7613 39 W 5.0842 9.8708 135.0000 55.9327 32.9093 174.2124 40 I 4.9879 8.6964 129.3753 59.9230 38.8295 175.0781 41 A 4.9393 8.8246 128.2747 51.1426 23.0993 173.8108 42 C 5.0027 8.6917 116.7592 58.5871 32.8593 175.2718 43 S 4.1068 8.6643 120.9920 61.7622 62.4594 175.6905 44 D 4.3152 8.5057 119.0097 56.7111 41.1440 176.7711 45 S 3.6979 7.5360 110.4688 59.5901 60.5754 172.1136 46 R 3.9749 7.5551 121.6959 58.1777 30.9427 177.3591 47 V 4.1063 8.2226 119.9381 60.6330 32.3765 174.9769 48 P 4.3342 0.0000 0.0000 62.2113 33.3653 177.0447 49 A 3.2963 8.2534 122.3709 55.3343 18.0036 180.1914 50 E 3.7091 7.6852 116.4018 59.0983 29.2937 179.2902 51 K 3.8404 7.4823 118.5642 59.2571 32.5115 178.4384 52 L 3.9389 7.6131 118.5320 57.0629 41.5379 178.5762 53 T 4.2897 7.3888 107.1328 60.2306 70.3755 173.7199 54 N 4.0753 7.9906 118.6069 54.2139 38.0016 173.9692 55 L 4.3322 7.5886 114.2403 53.3994 42.9349 176.9635 56 E 4.0907 8.4100 119.3532 55.5739 30.0126 175.2411 57 P 4.1967 0.0000 0.0000 64.2626 31.7871 177.1729 58 G 4.0283 8.8749 109.4938 45.9405 0.0000 174.0321 59 E 4.3842 8.0408 119.4464 57.4045 30.0345 175.8226 60 L 5.3609 7.8399 118.8877 52.9775 43.8296 175.4403 61 F 5.0165 9.6470 126.5952 56.7325 41.2670 174.4429 62 V 5.0144 7.9501 125.3373 61.3348 34.2174 173.8377 63 H 4.9998 9.4989 127.1285 54.4115 32.9851 172.2050 64 R 5.6932 8.6111 123.2983 53.4274 33.5676 174.0838 65 N 4.9172 8.4330 119.2524 50.9521 41.8355 173.2696 66 V 3.8832 8.1103 118.8453 63.2690 31.8604 175.1734 67 A 3.6488 9.0067 130.8404 52.9408 16.1583 176.9528 68 N 4.3629 8.1233 112.5865 55.5309 35.9317 173.4342 69 Q 4.6316 8.9154 115.8101 55.2398 30.8194 176.9812 70 V 4.1830 8.5564 122.2250 61.0210 31.6876 174.5923 71 I 3.8381 7.5913 126.7282 60.1039 38.1286 177.0442 72 H 4.1739 8.5816 121.8549 58.6011 28.6373 176.4080 73 T 4.4428 7.5836 106.8166 60.9953 69.1536 173.9741 74 D 4.6458 8.0330 122.7865 54.1268 41.3176 175.8647 75 F 3.7375 8.9186 130.3066 61.3589 39.4110 175.9899 76 N 4.3748 8.5042 116.1742 56.8983 38.8461 176.1012 77 C 3.8065 8.5703 119.6396 62.5803 31.6876 175.8087 78 L 3.9282 8.0186 120.3836 57.6771 41.0930 179.7783 79 S 4.1026 8.2403 115.4782 61.4214 62.7067 176.6074 80 V 3.8205 7.7573 120.9947 66.2371 31.2068 178.2573 81 V 3.6152 7.9708 117.8590 66.1003 31.2923 177.8000 82 Q 3.8932 8.4600 119.7516 59.1380 28.8039 177.4965 83 Y 3.9960 8.2872 120.4057 60.5656 38.8493 177.6512 84 A 3.6199 8.3846 122.0391 55.1290 18.5246 179.7973 85 V 3.4008 7.8267 116.5522 66.3882 31.5366 178.0585 86 D 4.3211 8.1238 117.5324 56.1410 40.7819 177.5793 87 V 3.8884 7.1764 116.9758 64.5761 32.3876 176.9010 88 L 3.8130 7.4476 117.5576 55.0599 41.6444 177.1243 89 K 4.2398 7.6575 115.7708 56.3412 29.3904 175.7123 90 I 3.7529 7.8473 119.4929 61.7142 37.6083 176.2590 91 E 4.7422 8.4705 122.0759 55.7882 31.6303 174.9812 92 H 5.4951 7.8156 116.7189 54.0562 32.8787 172.2791 93 I 5.0612 9.2250 124.5559 59.5216 40.1068 174.5492 94 I 4.3737 8.9600 127.9801 59.3178 40.0431 174.4702 95 I 4.5349 8.2994 128.4439 59.6782 39.1655 174.1728 96 C 5.0682 8.7567 128.0398 57.6032 34.2971 173.5581 97 G 4.4208 8.8706 114.0957 43.0992 0.0000 171.2662 98 H 5.0190 8.0020 113.6541 53.8672 31.0754 173.7074 99 T 3.9065 8.0836 111.2507 61.3090 69.8199 172.8064 100 N 4.0422 8.4286 117.0740 54.5902 37.4936 174.3042 101 C 4.4565 7.6279 116.6187 58.4098 32.8450 172.5886 102 G 3.7351 8.9511 115.9238 47.8498 0.0000 175.6924 103 G 3.6082 7.9648 107.3455 47.7194 0.0000 175.7558 104 I 3.6308 7.5362 122.0563 64.1992 37.1765 177.9661 105 H 4.1128 8.1964 116.9092 59.0375 28.3805 177.7271 106 A 3.9682 7.9994 120.8334 55.0337 18.2014 179.2463 107 A 3.9612 7.6372 118.6223 55.5639 18.5243 179.5397 108 M 2.7500 7.5543 115.7623 56.5331 32.1349 177.1002 109 A 4.1601 6.9702 121.1406 51.9131 19.1433 176.6493 110 D 4.6455 8.3288 117.6011 54.8340 41.9186 176.9476 111 K 4.1468 7.7113 118.3343 56.3149 32.7566 175.8409 112 D 4.6446 8.5989 123.0310 53.9808 41.2762 175.7982 113 L 4.5034 9.6579 127.3552 54.1922 43.3809 176.8054 114 G 4.0402 8.3589 104.0030 43.5929 0.0000 175.6654 115 L 3.9213 9.0528 120.7611 58.6182 41.9485 178.9804 116 I 3.7718 7.9224 117.5988 64.3434 37.7123 177.1253 117 N 4.3934 8.3067 117.3463 56.4420 38.0866 177.0084 118 N 4.3717 8.1405 117.0607 56.0385 39.1207 176.8324 119 W 4.3240 8.3483 129.2980 60.4072 30.9092 177.2856 120 L 4.3690 8.1666 117.3127 56.0273 41.2452 178.8021 121 L 4.0505 7.7837 119.7909 58.0897 41.3336 179.0210 122 H 4.1298 7.6519 115.0770 58.8898 28.5841 177.8655 123 I 3.8195 7.5498 121.1619 64.2203 36.9669 178.4714 124 R 4.1425 8.1447 119.1288 59.2212 29.8102 178.7259 125 D 4.5749 8.6189 119.1992 57.5260 40.9656 178.9532 126 I 3.8308 7.5914 120.3801 64.1476 36.9239 178.1107 127 W 4.3424 8.5225 128.3577 60.7936 30.7937 177.6819 128 F 4.3465 8.5634 117.7323 60.1537 38.1953 177.5895 129 K 3.9714 8.5008 119.0425 58.9193 32.0732 176.9457 130 H 4.9350 8.0274 115.1991 55.3517 29.4452 176.7563 131 G 3.3862 7.9124 109.8733 47.7879 0.0000 175.7447 132 H 4.0947 8.0303 119.3272 59.0724 30.4390 176.4378 133 L 4.0358 7.9229 121.5202 58.4921 41.8087 178.9379 134 L 4.1526 8.1745 118.8293 57.6116 41.2502 179.8240 135 G 3.5632 8.0379 105.3582 47.4875 0.0000 175.5658 136 K 4.1220 7.6695 118.7057 57.3830 32.4779 177.6312 137 L 4.2498 6.7775 119.3139 53.7889 42.4830 176.8437 138 S 4.2516 8.4187 116.1772 57.7185 62.7542 173.5273 139 P 4.2773 0.0000 0.0000 65.5494 31.2446 177.9649 140 E 4.2280 8.1471 113.7911 57.5525 29.9577 177.6618 141 K 4.4580 8.0832 118.8765 56.7299 32.9641 178.2132 142 R 4.0092 7.7568 118.1575 58.9625 29.8830 178.6478 143 A 3.9867 7.9693 120.3063 55.2050 18.5907 179.1688 144 D 4.2639 8.0555 116.9436 57.7224 40.9437 178.6317 145 M 4.0208 7.8544 118.5872 58.5850 32.2226 178.0504 146 L 4.0762 8.3602 120.9417 58.3328 42.2242 178.9108 147 T 3.7864 8.1127 115.9458 66.5735 68.4793 176.7170 148 K 3.9738 7.9309 119.8540 59.6113 32.0773 179.5266 149 I 3.6677 8.1471 120.5020 64.2471 36.8904 177.8131 150 N 4.2641 8.7585 118.3821 56.8142 38.7077 176.9997 151 V 3.5381 7.6602 118.7032 65.9153 31.6993 177.6456 152 A 4.0959 7.9188 120.2353 55.5127 18.1591 179.5048 153 E 4.1842 8.6312 117.2403 59.7982 29.4504 179.6980 154 Q 3.9817 8.3997 118.3658 58.7603 28.6729 178.8048 155 V 3.6051 8.1042 119.6112 65.9653 31.3090 177.5069 156 Y 4.1408 7.8512 118.4742 60.6476 38.7902 177.3130 157 N 4.3431 8.3692 117.6025 56.2565 38.7259 176.9186 158 L 3.9457 8.2048 122.0139 58.2693 41.9984 179.1758 159 G 3.7737 8.1575 103.2642 46.5693 0.0000 174.7346 160 R 4.2744 7.1454 118.4677 55.3857 31.1773 176.7982 161 T 3.9319 6.9795 110.7426 61.2220 69.4777 175.5105 162 S 4.0674 8.5768 118.7201 61.6365 62.8888 176.8794 163 I 3.5287 7.4753 122.7954 64.2078 36.9711 178.3578 164 V 3.0404 7.4173 118.7893 65.7452 31.2789 178.1130 165 K 4.0226 7.6353 118.1781 59.6842 31.8830 179.5260 166 S 4.0970 8.2488 115.3084 61.4034 62.6387 176.5459 167 A 3.9526 7.7123 123.2123 54.8938 17.9968 179.7612 168 W 4.3830 7.9561 117.4214 60.1058 28.9755 178.4971 169 E 4.0630 8.4184 118.0630 58.3837 29.0913 177.8466 170 R 4.4933 7.8768 114.4012 55.6455 29.8220 176.6437 171 G 3.8615 8.2037 107.0093 46.4689 0.0000 173.6490 172 Q 4.1485 8.1663 120.6379 54.8340 29.6706 175.3557 173 K 4.2511 8.5345 126.0237 55.9373 32.7775 175.4284 174 L 4.8198 8.5075 127.7984 54.3326 45.4790 173.5959 175 S 5.3539 9.5036 121.7369 56.5867 66.3372 172.9362 176 L 5.3580 9.0605 121.9971 53.4860 45.0049 175.2488 177 H 5.0648 9.2168 119.0274 53.9770 33.6575 172.8489 178 G 4.3073 8.5080 107.9234 44.4744 0.0000 171.5430 179 W 5.7992 9.1735 126.0907 54.7042 33.4249 174.9776 180 V 5.6335 9.2310 120.9694 60.2771 34.8733 173.8034 181 Y 5.5343 8.1890 123.1716 54.0898 41.7202 173.9970 182 D 4.8007 8.7976 120.8293 53.7649 41.9974 177.6539 183 V 4.0172 8.3604 120.2515 63.7763 31.6548 176.8510 184 N 4.7495 8.3495 116.5148 54.3730 38.7810 175.3957 185 D 4.7371 7.8542 113.4857 51.8274 41.7039 176.4455 186 G 3.8071 8.7094 107.6888 45.4884 0.0000 173.2993 187 F 4.3395 8.6072 120.1885 56.7281 39.9460 175.0913 188 L 4.3935 8.6361 124.7265 54.7355 42.4895 176.6225 189 V 4.3826 8.8017 123.4189 60.7385 34.4317 174.1034 190 D 5.0226 8.7326 128.0542 54.7876 41.4574 175.7767 191 Q 4.3052 9.3368 124.2518 56.3543 29.0242 176.9984 192 G 3.9247 9.4247 108.9171 44.6912 0.0000 173.5942 193 V 4.1429 7.6406 120.6131 62.2454 32.7881 174.6080 194 M 5.3293 8.6820 127.6651 54.4030 35.3474 173.7046 195 A 4.8050 9.0606 127.9620 50.2794 22.3018 176.1191 196 T 4.7322 8.3521 110.6555 59.6341 69.7676 174.3057 197 S 2.7900 5.8683 115.3584 56.2622 66.0856 176.9891 198 R 3.8765 7.4803 122.3114 59.4294 29.8129 178.3562 199 E 3.9244 7.8778 119.1089 59.3894 29.7859 178.7444 200 T 3.9124 7.7317 109.8327 64.2687 68.6689 176.4887 201 L 4.0052 7.7880 123.4443 58.1004 42.1261 178.5702 202 E 4.1643 8.2000 118.4521 59.6504 29.4292 179.3955 203 I 3.7248 7.7706 119.7271 64.5436 37.1746 178.7200 204 S 4.1219 8.1478 114.9973 61.4959 62.7630 175.6811 205 Y 4.0443 8.3492 123.3736 60.5292 38.5215 178.2604 206 R 3.6179 8.2800 119.1101 59.4288 30.2310 178.8484 207 N 4.2642 8.3148 115.9467 56.1052 38.4054 177.3772 208 A 3.9208 8.1936 122.4403 55.1656 18.5247 179.7461 209 I 3.4425 7.3480 118.0075 64.3767 36.9352 178.2958 210 A 3.9271 7.6251 120.1741 55.3401 18.3210 179.3743 211 R 3.9463 8.3602 117.2973 59.6447 29.9836 178.7629 212 L 4.0293 7.9330 117.6923 57.5964 41.6597 178.9204 213 S 4.5815 7.7776 112.7668 58.3707 63.0616 174.0903 214 I 4.1562 7.1326 123.5935 59.9476 36.8589 175.2108 215 L 4.5651 8.0783 125.5496 53.0809 43.1945 176.8170 216 D 4.5092 8.5143 120.1266 54.8021 40.7367 176.4357 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 8.16 4.50 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 2 D 8.12 4.20 0.00 2.80 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 3 K 8.86 3.94 0.00 1.74 1.84 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.47 7.81 4 I 7.64 3.63 2.03 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.95 0.90 0.00 0.00 5 K 8.31 4.14 0.00 2.00 1.93 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.69 7.81 6 Q 8.53 3.98 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 7 L 7.84 3.87 0.00 1.82 1.61 0.77 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.08 4.46 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 9 A 8.57 4.12 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 0.00 0.00 10 N 8.83 4.32 0.00 2.92 2.92 0.00 0.00 6.72 7.19 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 11 N 8.71 4.51 0.00 2.88 3.23 0.00 0.00 6.93 7.14 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 12 Y 8.46 4.13 0.00 3.27 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.46 4.11 0.00 4.23 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 14 W 8.58 4.10 0.00 3.38 3.48 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 15 A 8.36 2.95 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 16 Q 8.05 3.59 0.00 1.48 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 17 R 7.64 4.16 0.00 1.92 2.08 0.00 3.23 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 18 M 7.53 3.71 0.00 1.56 1.36 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.08 0.00 19 K 7.43 3.96 0.00 1.64 1.81 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.36 7.81 20 E 8.26 4.09 0.00 2.18 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 0.00 2.46 2.25 0.00 21 E 7.81 4.17 0.00 1.92 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 2.21 2.29 0.00 *32 H 7.72 4.59 0.00 3.31 3.41 0.00 5.75 0.00 0.00 0.00 0.00 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 7.96 4.15 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.51 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 34 T 7.63 4.55 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 1.05 0.00 0.00 35 P 0.00 4.72 0.00 2.39 2.35 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.15 0.00 36 H 8.99 4.74 0.00 2.91 2.86 0.00 5.76 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 37 Y 7.85 5.26 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 38 L 9.04 5.23 0.00 1.99 1.67 1.22 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 39 W 9.87 5.08 0.00 3.49 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 40 I 8.70 4.99 1.79 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 1.23 0.67 0.96 0.00 0.00 41 A 8.82 4.94 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 42 C 8.69 5.00 0.00 3.33 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 0.00 110 D 8.33 4.65 0.00 2.68 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 0.00 111 K 7.71 4.15 0.00 1.78 1.72 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.42 7.81 112 D 8.60 4.64 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 9.66 4.50 0.00 1.70 1.68 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.36 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 0.00 115 L 9.05 3.92 0.00 1.77 1.71 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.92 3.77 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.15 0.93 0.00 0.00 117 N 8.31 4.39 0.00 3.15 2.90 0.00 0.00 6.92 6.79 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 0.00 118 N 8.14 4.37 0.00 2.94 2.95 0.00 0.00 6.98 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 W 8.35 4.32 0.00 3.46 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.17 4.37 0.00 2.12 1.70 1.15 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.78 4.05 0.00 1.81 1.69 0.93 1.12 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 0.00 122 H 7.65 4.13 0.00 3.14 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.55 3.82 1.95 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 1.77 0.58 0.86 0.00 0.00 124 R 8.14 4.14 0.00 2.11 2.26 0.00 3.22 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 125 D 8.62 4.57 0.00 2.94 2.81 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 0.00 126 I 7.59 3.83 2.13 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 1.51 1.31 1.03 0.00 0.00 127 W 8.52 4.34 0.00 3.14 3.19 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 0.00 128 F 8.56 4.35 0.00 3.25 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.50 3.97 0.00 1.80 2.17 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.13 1.41 7.81 130 H 8.03 4.93 0.00 3.25 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.91 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 0.00 0.00 0.00 132 H 8.03 4.09 0.00 3.11 3.33 0.00 5.75 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 0.00 133 L 7.92 4.04 0.00 1.76 1.86 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.17 4.15 0.00 1.56 1.69 1.04 0.94 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 0.00 135 G 8.04 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 K 7.67 4.12 0.00 1.87 1.83 0.00 1.39 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.43 7.81 137 L 6.78 4.25 0.00 1.78 1.60 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.42 4.25 0.00 3.85 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 0.00 139 P 0.00 4.28 0.00 2.23 2.12 0.00 3.65 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 2.13 2.10 0.00 140 E 8.15 4.23 0.00 2.08 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 0.00 2.28 2.27 0.00 141 K 8.08 4.46 0.00 1.90 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.59 7.81 142 R 7.76 4.01 0.00 1.98 2.13 0.00 3.23 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.89 0.00 143 A 7.97 3.99 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 0.00 144 D 8.06 4.26 0.00 2.90 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 0.00 145 M 7.85 4.02 0.00 2.23 2.06 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 2.60 2.59 0.00 146 L 8.36 4.08 0.00 1.95 1.64 1.09 0.51 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 0.00 147 T 8.11 3.79 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 1.17 0.00 0.00 148 K 7.93 3.97 0.00 2.01 1.95 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.61 7.81 149 I 8.15 3.67 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.76 0.72 0.00 0.00 150 N 8.76 4.26 0.00 2.90 3.00 0.00 0.00 6.86 8.29 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 0.00 151 V 7.66 3.54 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.05 0.00 0.00 152 A 7.92 4.10 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 0.00 153 E 8.63 4.18 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.63 0.00 154 Q 8.40 3.98 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.71 0.00 155 V 8.10 3.61 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 1.14 0.00 0.00 1.05 0.00 0.00 156 Y 7.85 4.14 0.00 2.79 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 0.00 157 N 8.37 4.34 0.00 2.89 2.85 0.00 0.00 6.68 7.32 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 0.00 158 L 8.20 3.95 0.00 1.77 1.83 0.84 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 159 G 8.16 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 0.00 160 R 7.15 4.27 0.00 1.63 1.75 0.00 2.21 0.00 0.00 2.64 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.15 0.00 161 T 6.98 3.93 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 1.21 0.00 0.00 162 S 8.58 4.07 0.00 4.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 I 7.48 3.53 1.72 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.00 0.79 0.00 0.00 164 V 7.42 3.04 1.69 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 -0.64 0.00 0.00 0.68 0.00 0.00 165 K 7.64 4.02 0.00 1.80 1.88 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.62 1.61 7.81 166 S 8.25 4.10 0.00 3.94 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 0.00 167 A 7.71 3.95 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 0.00 168 W 7.96 4.38 0.00 3.61 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 0.00 169 E 8.42 4.06 0.00 2.20 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 2.35 2.39 0.00 170 R 7.88 4.49 0.00 2.02 2.01 0.00 3.14 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.63 0.00 171 G 8.20 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 0.00 172 Q 8.17 4.15 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 173 K 8.53 4.25 0.00 1.86 1.68 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.47 7.81 174 L 8.51 4.82 0.00 1.80 1.66 0.99 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 175 S 9.50 5.35 0.00 3.99 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 L 9.06 5.36 0.00 1.65 1.59 1.09 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 177 H 9.22 5.06 0.00 2.33 2.58 0.00 5.56 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 0.00 178 G 8.51 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 0.00 0.00 0.00 0.00 179 W 9.17 5.80 0.00 3.25 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 0.00 0.00 0.00 180 V 9.23 5.63 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.96 0.00 0.00 181 Y 8.19 5.53 0.00 3.25 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 0.00 182 D 8.80 4.80 0.00 2.78 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 0.00 183 V 8.36 4.02 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 0.80 0.00 0.00 0.97 0.00 0.00 184 N 8.35 4.75 0.00 2.79 2.91 0.00 0.00 6.71 8.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 D 7.85 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 0.00 186 G 8.71 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 0.00 187 F 8.61 4.34 0.00 3.21 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 0.00 188 L 8.64 4.39 0.00 1.35 1.39 1.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 189 V 8.80 4.38 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 0.97 0.00 0.00 0.99 0.00 0.00 190 D 8.73 5.02 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 Q 9.34 4.31 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.17 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 192 G 9.42 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 0.00 193 V 7.64 4.14 2.19 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 1.12 0.00 0.00 1.06 0.00 0.00 194 M 8.68 5.33 0.00 2.10 1.99 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 2.65 2.69 0.00 195 A 9.06 4.80 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 0.00 196 T 8.35 4.73 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 1.24 0.00 0.00 197 S 5.87 2.79 0.00 3.59 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 0.00 198 R 7.48 3.88 0.00 2.14 1.98 0.00 3.37 0.00 0.00 3.41 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 199 E 7.88 3.92 0.00 2.01 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 2.35 2.35 0.00 200 T 7.73 3.91 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 1.12 0.00 0.00 201 L 7.79 4.01 0.00 1.97 2.02 1.15 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 202 E 8.20 4.16 0.00 2.25 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 0.00 2.46 2.59 0.00 203 I 7.77 3.72 1.95 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 1.59 0.70 0.91 0.00 0.00 204 S 8.15 4.12 0.00 4.36 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 0.00 205 Y 8.35 4.04 0.00 3.05 3.09 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 0.00 206 R 8.28 3.62 0.00 2.05 1.92 0.00 3.21 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 207 N 8.31 4.26 0.00 2.85 2.84 0.00 0.00 6.97 7.37 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 0.00 208 A 8.19 3.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 I 7.35 3.44 1.52 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 0.76 0.28 0.82 0.00 0.00 210 A 7.63 3.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 R 8.36 3.95 0.00 1.91 2.08 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 212 L 7.93 4.03 0.00 1.83 1.67 0.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 213 S 7.78 4.58 0.00 3.97 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 0.00 214 I 7.13 4.16 1.85 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 1.28 0.66 0.90 0.00 0.00 215 L 8.08 4.57 0.00 1.61 1.57 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 216 D 8.51 4.51 0.00 2.64 2.57 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 * Residues marked with a * may have inaccurate shift predictions.