NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8847 8.3549 108.0135 46.5563 0.0000 172.9228 4 M 4.3517 8.8112 121.8862 53.6618 33.9382 174.3347 5 R 4.3186 8.7155 123.5703 56.4346 32.1366 174.8434 6 V 4.8162 8.5558 126.1944 61.2633 34.6020 173.7823 7 Y 4.7913 9.0058 127.2234 57.5777 39.1516 174.6949 8 L 5.3803 9.4171 124.8424 53.0369 45.1637 175.8961 9 G 4.6528 8.9914 108.3177 45.0230 0.0000 171.2995 10 A 5.6973 9.0260 123.3427 51.5033 23.4710 175.9678 11 D 4.8655 8.5388 120.5869 52.2079 41.8231 176.6494 12 H 4.1437 9.2409 113.9052 59.0395 27.7511 177.1491 13 A 4.3072 7.8648 122.1366 53.6246 18.5268 178.6045 14 G 3.9899 8.1015 102.5041 44.5365 0.0000 174.6945 15 Y 4.0657 7.6221 122.4873 60.9848 39.0236 178.0362 16 E 3.7553 8.2882 118.8764 59.0965 29.5853 179.0175 17 L 3.8973 7.7777 120.0507 57.8278 42.2847 178.4882 18 K 3.7902 8.1519 119.8999 59.7590 32.0486 178.6895 19 Q 3.8349 7.6124 117.8283 58.9725 28.5979 178.8542 20 R 3.8908 7.7155 118.7219 59.4463 30.1067 179.2553 21 I 3.7517 8.1161 119.8734 64.2784 37.1019 178.4436 22 I 3.6736 8.1846 121.1165 64.3863 36.9452 178.0704 23 E 3.9093 8.0960 119.9693 59.5003 29.6144 178.2441 24 H 4.1160 8.3376 118.2513 59.3951 29.9280 177.2198 25 L 4.0389 8.4648 121.1110 57.5331 41.3825 179.5873 26 K 3.9222 8.1297 118.4406 59.8057 31.8792 179.4920 27 Q 4.1207 7.9601 116.6722 58.1255 28.5284 177.9185 28 T 4.4712 7.5583 108.8009 61.2409 69.3462 175.5800 29 G 3.7980 8.0893 109.3967 45.7852 0.0000 173.6149 30 H 4.6227 7.7445 116.7724 55.0164 30.7342 175.4085 31 E 4.6319 9.1284 121.4175 53.4709 29.5642 171.9312 32 P 4.7792 0.0000 0.0000 62.2714 32.8209 175.9868 33 I 4.4238 9.0567 124.4372 59.4751 40.0998 173.9952 34 D 5.0074 8.7935 127.7458 53.6547 41.3864 175.6923 35 C 4.4523 9.4695 124.1524 60.0510 28.9622 174.6582 36 G 3.9493 8.9450 105.6558 44.2933 0.0000 172.8604 37 A 3.8107 7.2159 122.2546 52.1381 18.5265 178.2545 38 L 4.3743 8.4484 121.6974 56.2334 42.3674 176.8413 39 R 4.4604 7.3271 116.5760 53.8803 33.3274 173.4854 40 Y 3.3755 7.6113 123.0449 57.2372 39.1823 174.8535 41 D 4.2002 7.6511 125.6767 52.0148 42.8073 175.3710 42 A 3.4563 8.0936 130.3321 54.1651 18.4467 177.3900 43 D 4.6903 7.6027 113.3621 53.8080 41.6909 176.3627 44 D 4.6176 7.8822 119.3900 53.0839 40.1920 175.3033 45 D 4.9272 8.3967 119.7280 52.3312 42.6323 176.4921 46 Y 4.5894 8.7753 123.8824 59.8410 37.6381 176.6089 47 P 4.2775 0.0000 0.0000 65.4944 31.4554 178.0119 48 A 3.8343 7.7479 118.6430 55.4754 18.1684 179.6026 49 F 4.3635 7.6341 115.4507 60.6748 38.9961 177.6297 50 C 4.3014 8.0768 116.5755 62.6734 28.0317 176.0296 51 I 3.7125 8.1780 121.5790 64.2074 36.6232 178.2537 52 A 3.9240 8.1285 121.2799 55.1418 18.3296 179.3013 53 A 3.9818 8.1550 118.7918 55.4470 18.4904 179.7750 54 A 3.9574 8.4013 119.4346 55.5720 18.4908 179.9744 55 T 3.7720 8.0964 114.4730 66.9384 68.3173 177.1665 56 R 3.6590 7.6864 118.6490 59.1797 30.2239 178.9930 57 T 4.1703 7.5704 116.8498 66.1992 68.2959 176.9170 58 V 3.5961 7.6160 118.4654 65.7327 31.6655 177.2471 59 A 4.3145 7.8660 117.9334 52.5431 19.8783 177.1411 60 D 4.7881 7.7145 116.9867 50.6204 41.1465 172.2800 61 P 4.4914 0.0000 0.0000 64.0119 32.2003 176.8636 62 G 4.0176 9.0296 110.8530 45.0950 0.0000 173.7110 63 S 4.7509 7.9520 114.4190 57.9583 65.1557 172.9937 64 L 5.1537 8.8610 119.8311 53.0787 46.1206 175.6500 65 G 4.7004 9.6407 106.2033 44.9619 0.0000 171.8550 66 I 5.1079 9.1223 122.5487 59.3126 41.2867 174.7637 67 V 5.0998 8.8671 120.1493 59.5246 35.0324 174.7369 68 L 5.4529 8.5449 124.0816 52.2540 45.6137 176.0066 69 G 3.9313 8.1963 109.1549 45.8958 0.0000 172.6184 70 G 3.7545 9.1123 106.5297 49.2797 0.0000 176.2714 71 S 4.2967 8.1694 115.6121 57.7205 64.2680 175.9968 72 G 4.1892 8.1410 109.1464 45.3499 0.0000 175.0596 73 N 4.3817 8.4380 118.0531 56.2649 38.5369 177.3912 74 G 3.1633 7.7496 106.5932 47.6795 0.0000 175.3788 75 E 4.1150 7.7193 120.4050 59.0900 29.6597 179.0786 76 Q 4.0196 8.1006 117.8305 59.1780 28.4141 178.6802 77 I 3.6750 7.6209 120.7204 64.0679 37.6125 177.8586 78 A 4.1967 8.1920 121.2820 55.2655 18.4076 179.4882 79 A 4.0006 8.1239 119.2084 55.4863 18.2656 179.5470 80 N 4.4602 8.4643 113.8533 55.7148 38.6521 177.1638 81 K 4.2667 7.6911 118.5738 56.9350 32.6449 177.2497 82 V 3.7604 7.3254 120.6311 61.4206 31.8890 173.4881 83 P 5.1022 0.0000 0.0000 63.7536 31.4864 176.8857 84 G 3.8992 9.2897 110.9102 45.3358 0.0000 173.4048 85 A 4.3005 7.6946 122.6931 51.4434 19.5757 177.2057 86 R 4.6205 9.1534 120.5384 54.6761 33.3344 174.3316 87 C 5.5933 9.7937 125.6888 56.6099 33.2130 173.5217 88 A 4.3878 8.5039 128.2598 51.4136 20.2020 175.4773 89 L 4.7883 8.4397 121.5555 53.9914 43.0614 175.7041 90 A 4.6347 8.8100 130.0597 50.1100 19.8182 176.2657 91 W 4.8210 8.1989 118.7634 56.2193 29.0946 175.9412 92 S 4.4302 7.0810 112.7362 56.3990 66.0081 175.4602 93 V 3.4975 8.1330 122.0128 66.2678 31.0669 177.9468 94 Q 3.8580 7.7655 118.8179 59.4275 28.9633 178.2719 95 T 3.6852 7.4667 110.5795 64.4956 68.6003 176.3688 96 A 3.9691 7.9740 123.4167 54.8277 18.3076 179.5509 97 A 4.0319 8.0366 119.1429 55.4530 18.5027 179.8918 98 L 3.8488 8.2179 117.6707 57.7689 41.5136 179.5173 99 A 4.2063 8.1922 120.8435 55.2835 18.3989 180.0172 100 R 3.9398 7.8056 114.8991 59.4154 30.1961 178.9023 101 E 4.2286 8.5198 118.5541 59.7665 29.3183 178.9275 102 H 4.1274 8.4806 114.2896 57.7737 29.5959 176.2943 103 N 4.6009 8.1964 113.9135 52.6231 39.1990 174.2257 104 N 3.8208 8.0981 115.4268 53.8419 37.3171 173.9492 105 A 4.2041 8.0455 119.8291 52.2670 19.1271 178.5793 106 Q 4.3703 8.7380 122.0095 57.6560 30.2981 175.8248 107 L 6.1986 8.3852 118.6546 51.6596 46.1115 175.6410 108 I 4.8917 7.7306 114.1622 59.0012 41.1672 174.2250 109 G 4.3078 9.1041 111.5933 45.1810 0.0000 172.6413 110 I 4.8798 8.5181 123.8824 59.0369 41.4934 174.9842 111 G 3.9884 8.2645 113.9488 44.6061 0.0000 174.7164 112 G 3.8251 9.3219 117.2773 48.1976 0.0000 173.8791 113 R 4.2888 8.0413 116.6497 56.9105 30.2877 176.6920 114 M 4.4299 7.7206 116.5498 55.5198 33.4584 175.5748 115 H 5.1291 7.6719 114.1421 52.9397 33.1889 173.5650 116 T 4.1666 8.6611 112.7850 61.4611 70.5646 175.9458 117 V 3.5502 8.2391 120.3998 66.0312 31.5950 177.7589 118 A 3.9498 7.9904 120.0448 55.2552 18.3355 179.2678 119 E 3.8753 8.2060 116.7104 59.4920 29.4863 179.4441 120 A 3.9198 8.0463 120.6719 55.2531 18.4466 179.7304 121 L 3.8173 8.2049 117.5206 57.6176 41.5893 179.4231 122 A 3.9846 8.0658 120.8310 55.2760 18.2937 179.7427 123 I 3.5794 7.5588 117.7236 64.4757 37.1264 178.6582 124 V 3.6700 7.9708 119.2559 66.2718 31.4009 177.5224 125 D 4.3959 8.5442 118.6218 57.5842 40.7154 178.8983 126 A 4.0113 8.1716 121.0232 55.0594 18.1349 179.5308 127 F 4.1953 8.1623 118.2006 61.5860 39.6683 177.5269 128 V 3.5442 8.0614 110.4175 63.0317 31.5311 177.5226 129 T 4.4547 7.5242 107.7642 61.3345 69.7935 174.8400 130 T 4.1524 7.3059 119.4625 62.2727 68.9150 172.9272 131 P 4.4506 0.0000 0.0000 61.4459 30.7980 176.0680 132 W 5.1777 9.0563 130.8702 57.1378 30.9521 177.0445 133 S 4.0427 8.2838 121.7551 59.5365 62.4530 175.4298 134 K 2.6278 5.6600 115.2046 56.3271 30.0864 176.0872 135 A 3.9268 7.1403 121.7425 51.7517 19.8857 178.6430 136 Q 3.9147 8.7236 124.8545 59.6329 29.0302 179.7752 137 R 3.9427 7.7890 116.2586 59.4700 29.5375 178.3982 138 H 4.3685 7.9683 116.4589 58.7840 28.8180 177.3130 139 Q 4.2045 8.4023 121.4192 59.2418 28.8911 178.1508 140 R 3.9310 8.2659 119.7863 59.6229 30.0762 178.7790 141 R 3.9376 8.1271 117.6562 59.3799 30.1054 178.9167 142 I 3.7141 8.0887 119.8571 64.7373 37.0988 178.2587 143 D 4.3941 8.5808 119.9389 57.2545 40.6328 178.8669 144 I 3.7398 7.8307 120.4812 64.2921 37.1019 178.2202 145 L 4.0216 8.0089 120.9611 58.1268 41.9318 178.8189 146 A 3.9977 8.2250 120.8320 55.1252 18.1597 179.2279 147 E 3.8679 8.3999 117.8761 59.5195 29.6639 178.4115 148 Y 4.0430 8.1542 119.5883 60.7509 38.8791 177.7399 149 E 3.5755 8.3695 119.5602 59.3848 29.3111 179.4506 150 R 3.8180 7.7413 117.9425 58.8036 30.2953 177.7031 151 T 4.3703 7.3135 106.2120 60.5255 70.3135 173.7333 152 H 2.9564 7.7453 117.5260 56.1775 27.0474 174.1735 153 E 4.4386 7.8054 118.7024 54.4020 29.6966 176.3678 154 A 4.1457 8.7907 128.1166 51.4857 18.8654 175.3705 155 P 4.5166 0.0000 0.0000 61.5809 32.1941 174.6137 156 P 4.3614 0.0000 0.0000 62.8025 31.9233 175.6998 157 V 4.1650 7.9994 120.0468 60.6203 32.6217 173.9406 158 P 4.2204 0.0000 0.0000 62.4598 31.8703 176.5920 *159 G 3.7274 8.5944 110.7711 45.8686 0.0000 172.4096 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 3 G 8.35 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 4 M 8.81 4.35 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 5 R 8.72 4.32 0.00 1.83 1.72 0.00 3.38 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.39 0.00 6 V 8.56 4.82 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 1.00 0.00 0.00 0.95 0.00 0.00 7 Y 9.01 4.79 0.00 3.11 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 8 L 9.42 5.38 0.00 1.58 1.55 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.99 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 9.03 5.70 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 11 D 8.54 4.87 0.00 3.02 3.08 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 12 H 9.24 4.14 0.00 2.88 3.48 0.00 5.26 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.86 4.31 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 14 G 8.10 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 15 Y 7.62 4.07 0.00 3.24 3.34 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 16 E 8.29 3.76 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.31 0.00 17 L 7.78 3.90 0.00 1.74 1.80 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.15 3.79 0.00 1.84 1.83 0.00 1.76 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.45 7.81 19 Q 7.61 3.83 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.55 0.00 0.00 0.00 0.00 0.00 1.62 2.01 0.00 20 R 7.72 3.89 0.00 1.98 1.95 0.00 3.27 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 21 I 8.12 3.75 1.97 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 1.50 0.64 0.92 0.00 0.00 22 I 8.18 3.67 1.96 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 1.39 1.03 0.90 0.00 0.00 23 E 8.10 3.91 0.00 2.08 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 2.30 2.36 0.00 24 H 8.34 4.12 0.00 3.35 3.45 0.00 5.84 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 25 L 8.46 4.04 0.00 1.87 1.71 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.13 3.92 0.00 2.00 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.61 7.81 27 Q 7.96 4.12 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.23 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 28 T 7.56 4.47 4.22 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 1.08 0.00 0.00 29 G 8.09 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 H 7.74 4.62 0.00 3.15 3.43 0.00 5.60 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 31 E 9.13 4.63 0.00 1.92 1.73 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 2.11 2.17 0.00 32 P 0.00 4.78 0.00 2.09 2.02 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.16 0.00 33 I 9.06 4.42 1.60 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 1.04 0.58 1.06 0.00 0.00 34 D 8.79 5.01 0.00 2.70 2.63 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 35 C 9.47 4.45 0.00 3.11 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 36 G 8.95 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 37 A 7.22 3.81 0.97 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 0.00 0.00 38 L 8.45 4.37 0.00 1.71 1.81 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.33 4.46 0.00 1.68 1.65 0.00 3.23 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 40 Y 7.61 3.38 0.00 2.49 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 41 D 7.65 4.20 0.00 2.50 2.46 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 0.00 42 A 8.09 3.46 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 43 D 7.60 4.69 0.00 2.63 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.88 4.62 0.00 2.97 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 45 D 8.40 4.93 0.00 2.54 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 0.00 0.00 0.00 0.00 46 Y 8.78 4.59 0.00 3.34 3.52 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 47 P 0.00 4.28 0.00 1.96 2.02 0.00 3.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.41 0.00 48 A 7.75 3.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.63 4.36 0.00 3.26 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 50 C 8.08 4.30 0.00 3.18 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 51 I 8.18 3.71 1.85 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 1.46 0.75 0.89 0.00 0.00 52 A 8.13 3.92 1.44 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 0.00 0.00 53 A 8.15 3.98 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.40 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.10 3.77 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 1.16 0.00 0.00 56 R 7.69 3.66 0.00 1.11 0.92 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 57 T 7.57 4.17 4.40 0.00 0.00 0.00 0.00 0.00 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 58 V 7.62 3.60 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 0.82 0.00 0.00 0.96 0.00 0.00 59 A 7.87 4.31 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.71 4.79 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.49 0.00 2.10 2.00 0.00 3.74 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 2.04 2.11 0.00 62 G 9.03 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 0.00 0.00 0.00 63 S 7.95 4.75 0.00 4.22 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 0.00 64 L 8.86 5.15 0.00 1.61 1.82 0.36 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 65 G 9.64 4.70 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 66 I 9.12 5.11 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.08 0.84 0.00 0.00 67 V 8.87 5.10 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 0.81 0.00 0.00 1.02 0.00 0.00 68 L 8.54 5.45 0.00 1.56 1.49 0.90 0.72 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 69 G 8.20 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 9.11 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 0.00 0.00 0.00 71 S 8.17 4.30 0.00 3.95 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 72 G 8.14 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 0.00 0.00 0.00 0.00 73 N 8.44 4.38 0.00 2.66 2.81 0.00 0.00 6.73 8.11 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 74 G 7.75 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 0.00 0.00 0.00 75 E 7.72 4.12 0.00 2.18 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 2.46 2.47 0.00 76 Q 8.10 4.02 0.00 2.48 2.34 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 2.33 2.71 0.00 77 I 7.62 3.68 2.12 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 1.47 0.65 0.96 0.00 0.00 78 A 8.19 4.20 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 79 A 8.12 4.00 1.42 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 0.00 0.00 0.00 80 N 8.46 4.46 0.00 2.91 2.93 0.00 0.00 7.11 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 81 K 7.69 4.27 0.00 1.91 1.88 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.75 1.61 7.81 82 V 7.33 3.76 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 0.98 0.00 0.00 83 P 0.00 5.10 0.00 2.06 1.99 0.00 3.81 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 84 G 9.29 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 0.00 0.00 0.00 85 A 7.69 4.30 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 9.15 4.62 0.00 1.81 1.81 0.00 3.09 0.00 0.00 3.03 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 87 C 9.79 5.59 0.00 2.90 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 88 A 8.50 4.39 1.25 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 0.00 0.00 89 L 8.44 4.79 0.00 1.68 1.71 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.81 4.63 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 91 W 8.20 4.82 0.00 3.58 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 92 S 7.08 4.43 0.00 3.67 3.41 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 93 V 8.13 3.50 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 0.98 0.00 0.00 0.89 0.00 0.00 94 Q 7.77 3.86 0.00 2.02 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 95 T 7.47 3.69 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 0.59 0.00 0.00 96 A 7.97 3.97 1.46 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 0.00 0.00 0.00 97 A 8.04 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.22 3.85 0.00 1.60 1.62 0.83 0.81 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 99 A 8.19 4.21 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.81 3.94 0.00 2.08 2.10 0.00 3.46 0.00 0.00 2.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 101 E 8.52 4.23 0.00 2.17 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 2.38 2.41 0.00 102 H 8.48 4.13 0.00 3.21 3.28 0.00 5.66 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 0.00 103 N 8.20 4.60 0.00 2.92 2.85 0.00 0.00 7.03 8.00 0.00 0.00 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 N 8.10 3.82 0.00 1.44 1.93 0.00 0.00 7.02 7.96 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 0.00 105 A 8.05 4.20 1.44 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 0.00 0.00 106 Q 8.74 4.37 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 107 L 8.39 6.20 0.00 1.56 1.50 0.96 0.95 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 0.00 108 I 7.73 4.89 1.52 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.56 0.44 0.00 0.00 109 G 9.10 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 0.00 110 I 8.52 4.88 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.03 0.93 0.00 0.00 111 G 8.26 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 0.00 112 G 9.32 3.83 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 0.00 113 R 8.04 4.29 0.00 1.95 1.96 0.00 3.14 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 114 M 7.72 4.43 0.00 1.78 1.93 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.73 0.00 115 H 7.67 5.13 0.00 3.10 3.14 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.66 4.17 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 1.29 0.00 0.00 117 V 8.24 3.55 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 1.10 0.00 0.00 0.92 0.00 0.00 118 A 7.99 3.95 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 0.00 119 E 8.21 3.88 0.00 2.33 2.03 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 2.35 2.34 0.00 120 A 8.05 3.92 1.35 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 0.00 0.00 0.00 121 L 8.20 3.82 0.00 1.57 1.43 0.78 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.07 3.98 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 0.00 123 I 7.56 3.58 1.98 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.78 0.83 0.00 0.00 124 V 7.97 3.67 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 1.19 0.00 0.00 0.99 0.00 0.00 125 D 8.54 4.40 0.00 2.90 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.17 4.01 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 0.00 127 F 8.16 4.20 0.00 2.96 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.06 3.54 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.95 0.00 0.00 129 T 7.52 4.45 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 1.23 0.00 0.00 130 T 7.31 4.15 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 131 P 0.00 4.45 0.00 2.04 1.99 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 132 W 9.06 5.18 0.00 3.35 2.97 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 0.00 133 S 8.28 4.04 0.00 3.79 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 0.00 134 K 5.66 2.63 0.00 1.54 1.66 0.00 1.55 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.96 0.85 7.81 135 A 7.14 3.93 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 0.00 136 Q 8.72 3.91 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 137 R 7.79 3.94 0.00 2.05 2.12 0.00 2.97 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 138 H 7.97 4.37 0.00 3.58 3.97 0.00 5.63 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 0.00 139 Q 8.40 4.20 0.00 2.45 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.49 2.70 0.00 140 R 8.27 3.93 0.00 2.03 2.15 0.00 3.16 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 1.71 0.00 141 R 8.13 3.94 0.00 2.16 2.01 0.00 3.37 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 142 I 8.09 3.71 2.04 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.72 0.84 0.00 0.00 143 D 8.58 4.39 0.00 2.85 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 7.83 3.74 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 1.43 1.10 0.93 0.00 0.00 145 L 8.01 4.02 0.00 1.80 1.82 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.22 4.00 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 0.00 147 E 8.40 3.87 0.00 2.21 2.20 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 2.33 2.39 0.00 148 Y 8.15 4.04 0.00 3.06 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.37 3.58 0.00 2.20 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 150 R 7.74 3.82 0.00 1.90 2.06 0.00 3.19 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 1.60 0.00 151 T 7.31 4.37 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 1.24 0.00 0.00 152 H 7.75 2.96 0.00 3.05 3.20 0.00 5.84 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 7.81 4.44 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 154 A 8.79 4.15 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 0.00 155 P 0.00 4.52 0.00 2.20 2.10 0.00 3.65 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 156 P 0.00 4.36 0.00 2.21 2.10 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 157 V 8.00 4.16 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 0.83 0.00 0.00 0.92 0.00 0.00 158 P 0.00 4.22 0.00 2.08 1.98 0.00 3.76 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 2.03 2.08 0.00 *159 G 8.59 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 * Residues marked with a * may have inaccurate shift predictions.