NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.7555 8.3027 120.3910 56.3017 31.5300 174.8629 1 M 3.8404 8.0771 121.1436 58.1468 32.5340 175.0034 2 A 3.9918 8.1696 120.7033 55.0672 18.9591 178.7064 3 L 3.8732 7.9019 118.3392 58.1759 42.2298 178.7112 4 L 3.9454 8.1463 120.4074 58.2791 41.9072 178.9570 5 Q 3.9854 8.1861 117.8878 59.0168 28.7236 179.0773 6 K 3.9829 8.1050 119.7246 59.5637 32.0568 179.5731 7 T 3.5749 8.2447 110.5294 64.7255 68.6006 176.7363 8 R 3.9171 7.9841 120.8664 59.0447 29.8053 179.1378 9 I 3.6779 7.2577 118.4917 64.4668 37.4585 178.2591 10 I 3.7256 7.4447 120.5558 64.1659 36.8517 177.8211 11 N 4.4596 8.2879 118.0335 55.7002 38.4113 176.6778 12 S 4.1158 7.8566 115.3464 60.3227 63.3101 176.2724 13 M 4.3284 8.2213 123.1151 55.0260 31.6139 177.8747 14 L 4.4274 5.7035 124.4488 55.9238 42.2157 177.5681 15 Q 4.2698 8.2029 115.0721 56.7695 30.4762 175.9847 16 A 3.6844 8.8519 122.7027 54.2057 17.2574 180.7865 17 A 3.6087 8.6161 119.8161 53.8089 20.7775 179.9858 18 A 3.7284 8.1648 113.8996 52.7958 15.0082 179.3695 19 G 3.7126 7.3099 107.6207 47.9610 0.0000 174.5561 20 K 3.8014 7.8006 122.7722 55.0895 33.0152 175.3197 21 P 4.4668 0.0000 0.0000 62.2059 31.9141 176.4703 22 V 3.3816 8.1248 120.6134 63.2885 32.0154 176.2971 23 N 4.6289 8.0162 123.5408 51.1793 40.9162 174.7142 24 F 4.3818 8.3731 127.9161 60.0567 39.1407 177.4599 25 K 3.9154 8.2089 119.0968 59.3748 32.0413 178.1971 26 E 3.8788 8.4839 119.5104 59.6701 29.4954 178.6429 27 M 4.0304 7.9863 118.1763 58.3911 31.9564 178.6160 28 A 3.9973 8.2806 120.9242 55.2380 18.6257 179.5510 29 E 3.8690 8.3531 117.1555 59.7121 29.4692 179.6757 30 T 3.8221 8.0390 115.7677 66.8058 68.5708 176.7318 31 L 3.9855 8.1541 120.9720 57.5061 41.6035 179.3278 32 R 4.2708 8.2119 120.5421 59.1174 29.7495 178.3669 33 D 4.3544 7.7564 116.8127 57.1677 40.8964 178.7500 34 V 3.7130 7.7544 117.9364 66.1017 31.7161 177.8323 35 I 3.9898 8.1092 118.2290 61.0186 38.4975 174.4710 36 D 4.3862 8.2685 119.3698 53.3157 39.0224 171.9826 37 S 4.6882 7.1344 114.2801 56.8516 66.6329 174.1150 38 N 4.7612 8.8464 122.1699 53.5137 39.7939 174.2492 39 I 4.9851 8.4234 122.6884 59.5510 41.2614 174.3739 40 F 5.2406 9.4065 125.3808 55.7076 42.6582 173.9706 41 V 4.7136 9.2446 124.6543 61.3219 33.3001 174.4897 42 V 5.0413 8.7261 128.4765 60.9147 34.5786 175.5977 43 S 4.6585 9.0821 122.5995 57.4009 63.9570 175.1067 44 R 3.9187 8.5248 120.4935 59.3841 29.7755 177.0905 45 R 4.2622 8.0260 114.3240 56.0141 30.2086 176.9863 46 G 4.2519 8.5314 106.6095 46.3971 0.0000 173.4164 47 K 4.5578 7.7797 120.8980 54.8416 32.7755 175.6189 48 L 4.5067 8.3778 129.0294 55.4173 41.6165 176.2332 49 L 4.2456 8.8739 128.0803 56.8595 42.7249 177.3945 50 G 4.3599 7.8570 102.7358 46.3117 0.0000 171.9608 51 Y 5.2842 8.3699 117.2666 56.3182 40.8645 173.6690 52 S 4.3600 8.8535 114.7268 56.9573 66.3732 172.5461 53 I 5.0094 8.3614 127.3563 59.5250 39.1041 175.0874 54 N 4.8799 9.3322 123.0482 52.3168 38.0748 174.6661 55 Q 4.3854 7.9498 117.3684 55.1846 30.4743 174.2372 56 Q 4.1767 8.7176 123.0607 55.8023 29.3629 175.9704 57 I 4.4623 8.1039 122.3083 59.1942 40.2510 174.6599 58 E 3.9868 8.8572 126.7455 56.1794 29.2707 176.7301 59 N 4.7934 8.2804 125.9983 51.8581 40.8053 173.9637 60 D 4.2917 8.7803 129.2324 56.7436 40.9929 178.6850 61 R 3.7003 7.8752 119.1859 59.6957 30.2750 178.2813 62 M 3.7687 8.0844 118.5375 57.9731 31.8222 178.6139 63 K 3.7897 8.1253 120.0506 59.3517 32.2759 178.7506 64 K 3.7965 7.8930 119.8373 59.5690 32.1185 178.2959 65 M 3.8695 7.5361 119.7710 57.9684 31.7512 178.2368 66 L 3.6965 7.3702 117.7635 57.6580 41.7871 179.0364 67 E 4.0548 7.9576 117.6603 59.3737 29.5399 178.6094 68 D 4.4612 8.1977 116.7484 54.0945 41.3325 176.7742 69 R 3.7629 7.7131 117.8713 56.5888 28.4217 175.0802 70 Q 4.8311 7.0940 113.5562 55.4609 32.1425 172.8587 71 F 4.5751 9.1406 125.5347 56.3535 40.1831 173.9122 72 P 4.4546 0.0000 0.0000 62.5830 32.3746 176.9281 73 E 3.9124 9.1888 121.9820 59.9088 29.3644 178.9662 74 E 3.8485 8.1794 118.4576 59.4688 29.3349 178.2538 75 Y 3.8021 8.0578 116.3517 61.1123 37.9064 178.0646 76 T 3.8673 8.0706 116.7579 66.4496 68.5490 176.4592 77 K 3.8852 8.0910 121.3970 59.7941 32.0472 178.6837 78 N 4.1045 7.6181 115.0814 55.7389 38.5432 177.2348 79 L 4.1943 7.9740 121.0311 57.7753 41.5029 179.1747 80 F 4.1488 8.0675 119.4515 61.1604 39.3806 176.0932 81 N 4.7509 7.6744 112.9884 52.8786 38.6167 175.2715 82 V 3.9431 7.2864 121.8849 61.2340 30.9162 173.6702 83 P 4.3976 0.0000 0.0000 64.0670 31.9832 175.3931 84 E 4.6140 7.6409 114.7233 54.7054 32.1909 174.4377 85 T 4.0792 8.4081 115.6304 64.6651 69.1195 173.6037 86 S 4.6870 9.1525 120.9908 56.5361 64.9036 172.8610 87 S 4.8093 8.6013 121.3249 56.3561 65.7794 173.0533 88 N 4.2668 7.9739 115.4223 54.3738 36.5315 175.0906 89 L 4.0410 8.1326 118.4231 54.1618 43.0250 176.8317 90 D 5.0464 8.5681 121.7323 51.9375 42.3787 175.4994 91 I 3.7562 8.5369 111.5355 64.0973 37.1428 176.3051 92 N 4.8372 8.0999 115.7351 53.2523 40.5368 176.5845 93 S 4.2909 7.8828 114.5730 58.9261 61.8696 177.3084 *98 F 4.2407 9.0400 124.3097 57.1044 40.1972 172.9875 99 P 4.4569 0.0000 0.0000 62.2299 32.3113 177.2247 100 V 3.6017 8.6900 119.9831 66.6226 31.0528 178.2640 101 E 4.0649 8.2317 115.0762 58.7830 29.4489 177.6555 102 N 5.0264 8.1780 116.9417 52.2994 38.9672 176.1013 103 R 4.2229 7.8427 119.9777 56.8220 30.3214 177.7907 104 D 4.3936 8.0372 119.4681 55.4928 39.7464 178.0743 105 L 3.7308 7.2758 121.7633 57.3600 40.7535 177.3856 106 F 5.0456 7.4134 116.4022 57.1492 39.4323 177.5122 107 Q 4.1007 7.8652 122.2400 58.6853 28.6193 177.7526 108 A 4.6450 7.0405 117.1991 51.1570 22.5575 177.7568 109 G 4.1633 8.6307 108.3967 44.5814 0.0000 172.2354 110 L 5.1108 8.7622 118.3001 53.2791 44.9905 176.0730 111 T 5.2633 8.9286 119.4558 62.0751 72.3363 173.0282 112 T 4.8479 8.7734 121.9211 61.6626 72.0642 172.8772 113 I 4.8065 8.7457 127.0763 59.4873 40.0789 174.7237 114 V 4.5405 8.8254 127.3744 60.1555 33.9695 172.9910 115 P 4.6072 0.0000 0.0000 63.0642 32.2312 176.0073 116 I 4.3797 8.7118 125.2753 60.1052 38.6294 174.7328 117 I 5.0655 8.3547 127.7973 59.5036 40.2347 175.6196 118 G 4.0978 9.2305 114.0148 45.5084 0.0000 173.2672 119 G 3.7123 9.5403 111.2551 46.4526 0.0000 174.7650 120 G 3.9129 8.4749 105.5402 45.4105 0.0000 174.0426 121 E 4.6263 7.7196 119.1797 54.0548 32.0566 175.5697 122 R 4.5521 8.4721 121.8249 56.2031 29.6030 176.0539 123 L 4.4920 9.0956 126.5426 54.1370 42.9749 177.4747 124 G 4.0185 6.9855 104.1063 46.3579 0.0000 170.4734 125 T 5.0321 8.2348 115.6733 61.9721 73.3634 172.9022 126 L 4.9643 9.1965 128.9059 53.8647 43.8597 174.8961 127 I 5.0459 9.0242 127.8904 59.6226 39.7662 174.6542 128 L 5.5879 9.0423 126.9740 53.0402 45.0836 175.7316 129 S 5.5694 9.1315 116.0601 57.0984 66.9890 173.1009 130 R 5.0951 9.1917 120.0006 54.4634 34.0411 176.2909 131 L 4.0346 9.2440 124.9257 57.9236 42.2746 178.7383 132 Q 4.5252 7.6869 110.6102 55.7531 31.5825 174.0402 133 D 4.6196 7.8503 119.0710 52.9363 41.8387 176.3190 134 Q 4.1137 8.3403 123.0972 55.6942 29.4528 175.7846 135 F 4.5084 8.7462 120.4903 57.1248 39.7193 175.9632 136 N 4.9404 9.0920 124.9114 51.4981 40.7616 175.3581 137 D 4.4223 8.5173 118.8137 57.6469 40.7857 178.5378 138 D 4.3810 8.2255 118.9974 57.5728 40.8131 178.3563 139 D 4.4765 8.6768 119.3509 57.4949 40.7662 178.9622 140 L 4.0280 8.2021 119.4377 57.6645 41.6075 179.4438 141 I 3.7418 8.0467 120.0077 64.5950 37.0598 178.5060 142 L 4.1060 8.0143 119.3228 57.6639 41.3954 179.4117 143 A 4.0528 8.3945 121.0635 55.3772 18.3585 179.6301 144 E 3.9905 8.6341 117.5021 59.4125 29.4760 178.9237 145 Y 4.1202 8.2679 119.8588 60.7541 38.8508 178.3940 146 G 3.6844 8.6968 106.8453 47.7441 0.0000 175.3180 147 A 4.0630 8.4926 123.6279 55.2917 18.3157 179.7819 148 T 3.8210 7.9824 114.1298 66.8061 68.5571 176.8956 149 V 3.6244 7.8625 120.0268 66.1206 31.4851 178.1265 150 V 3.8344 8.2239 118.2538 66.0012 31.3727 178.1515 151 G 3.6544 8.4325 105.5850 47.9992 0.0000 174.9342 152 M 3.9972 8.3156 121.1962 58.8695 32.1685 178.2589 153 E 4.0903 8.2165 118.1402 59.1167 29.6719 179.2321 154 I 4.1063 8.3012 120.4215 64.3124 36.9115 178.4818 155 L 4.0018 7.7650 118.9033 57.8366 41.8623 179.0697 156 R 4.0324 8.0035 118.6621 59.5550 29.8563 178.1503 157 E 3.9877 8.7701 119.4169 59.1944 29.3993 178.9256 158 K 4.1227 8.1092 117.5552 58.2358 32.0318 178.0065 159 A 4.7335 7.4228 119.2405 51.8267 20.0154 176.3374 160 E 4.1703 7.8587 126.1965 58.1152 29.7119 176.4143 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 H 8.30 4.76 0.00 3.21 3.30 0.00 5.66 0.00 0.00 0.00 0.00 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.08 3.84 0.00 2.26 2.05 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 2.67 2.73 0.00 2 A 8.17 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 3 L 7.90 3.87 0.00 1.71 1.74 0.91 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.15 3.95 0.00 1.80 1.84 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.19 3.99 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 6 K 8.11 3.98 0.00 1.93 1.82 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.54 7.81 7 T 8.24 3.57 4.23 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 1.33 0.00 0.00 8 R 7.98 3.92 0.00 2.06 1.99 0.00 3.21 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 9 I 7.26 3.68 1.95 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 1.48 0.58 0.86 0.00 0.00 10 I 7.44 3.73 1.23 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.89 0.75 0.00 0.00 11 N 8.29 4.46 0.00 2.73 2.76 0.00 0.00 6.92 7.40 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 12 S 7.86 4.12 0.00 4.05 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.22 4.33 0.00 2.02 1.76 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.55 0.00 14 L 5.70 4.43 0.00 1.89 1.74 1.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.20 4.27 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.15 0.00 0.00 0.00 0.00 0.00 2.60 2.36 0.00 16 A 8.85 3.68 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 17 A 8.62 3.61 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 18 A 8.16 3.73 1.40 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 0.00 0.00 0.00 19 G 7.31 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 0.00 0.00 0.00 20 K 7.80 3.80 0.00 1.70 1.72 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 21 P 0.00 4.47 0.00 2.04 1.95 0.00 3.71 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 22 V 8.12 3.38 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 -0.05 0.00 0.00 1.04 0.00 0.00 23 N 8.02 4.63 0.00 2.64 2.54 0.00 0.00 7.22 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.37 4.38 0.00 3.31 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 25 K 8.21 3.92 0.00 1.84 1.93 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.37 7.81 26 E 8.48 3.88 0.00 2.06 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 2.28 2.33 0.00 27 M 7.99 4.03 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.56 0.00 28 A 8.28 4.00 1.40 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 0.00 0.00 0.00 29 E 8.35 3.87 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 30 T 8.04 3.82 4.39 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 1.19 0.00 0.00 31 L 8.15 3.99 0.00 1.69 1.74 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.21 4.27 0.00 1.89 2.14 0.00 3.10 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 1.61 1.66 0.00 33 D 7.76 4.35 0.00 2.83 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 34 V 7.75 3.71 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 0.84 0.00 0.00 0.96 0.00 0.00 35 I 8.11 3.99 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.79 1.07 0.00 0.00 36 D 8.27 4.39 0.00 2.81 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 37 S 7.13 4.69 0.00 4.07 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 38 N 8.85 4.76 0.00 2.97 2.56 0.00 0.00 7.03 6.38 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 39 I 8.42 4.99 1.78 0.00 0.00 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 1.35 1.32 0.93 0.00 0.00 40 F 9.41 5.24 0.00 2.99 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 41 V 9.24 4.71 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 0.86 0.00 0.00 1.03 0.00 0.00 42 V 8.73 5.04 2.25 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 1.10 0.00 0.00 1.17 0.00 0.00 43 S 9.08 4.66 0.00 3.99 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 44 R 8.52 3.92 0.00 1.98 2.06 0.00 3.39 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.95 0.00 45 R 8.03 4.26 0.00 1.85 1.93 0.00 3.28 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 46 G 8.53 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 0.00 0.00 0.00 0.00 47 K 7.78 4.56 0.00 1.85 1.67 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.33 7.81 48 L 8.38 4.51 0.00 1.55 1.59 1.05 1.06 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 49 L 8.87 4.25 0.00 1.16 0.73 0.31 0.57 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 50 G 7.86 4.36 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 0.00 51 Y 8.37 5.28 0.00 2.92 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 52 S 8.85 4.36 0.00 3.72 3.57 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 53 I 8.36 5.01 1.94 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.97 1.04 0.00 0.00 54 N 9.33 4.88 0.00 2.77 2.86 0.00 0.00 6.81 7.62 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 55 Q 7.95 4.39 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 56 Q 8.72 4.18 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 57 I 8.10 4.46 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.88 0.96 0.00 0.00 58 E 8.86 3.99 0.00 1.94 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 2.29 2.30 0.00 59 N 8.28 4.79 0.00 2.74 2.60 0.00 0.00 7.15 8.49 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 60 D 8.78 4.29 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 61 R 7.88 3.70 0.00 1.94 1.99 0.00 2.21 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 62 M 8.08 3.77 0.00 1.73 1.93 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 63 K 8.13 3.79 0.00 1.86 1.87 0.00 1.46 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.53 7.81 64 K 7.89 3.80 0.00 1.85 1.83 0.00 1.63 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.35 7.81 65 M 7.54 3.87 0.00 1.58 1.21 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.65 0.00 66 L 7.37 3.70 0.00 1.64 1.43 0.77 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.96 4.05 0.00 2.02 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 2.31 2.42 0.00 68 D 8.20 4.46 0.00 2.64 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 69 R 7.71 3.76 0.00 1.97 1.97 0.00 3.35 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 70 Q 7.09 4.83 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.71 7.07 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 71 F 9.14 4.58 0.00 3.01 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 72 P 0.00 4.45 0.00 2.38 2.08 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 73 E 9.19 3.91 0.00 2.01 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 2.37 2.32 0.00 74 E 8.18 3.85 0.00 2.04 1.74 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 2.17 2.29 0.00 75 Y 8.06 3.80 0.00 3.25 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 76 T 8.07 3.87 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 1.28 0.00 0.00 77 K 8.09 3.89 0.00 1.82 1.89 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.43 7.81 78 N 7.62 4.10 0.00 1.93 1.50 0.00 0.00 7.14 7.89 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 79 L 7.97 4.19 0.00 1.82 1.75 0.38 1.34 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 80 F 8.07 4.15 0.00 3.09 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 81 N 7.67 4.75 0.00 2.76 2.78 0.00 0.00 6.95 8.68 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 82 V 7.29 3.94 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 0.83 0.00 0.00 1.13 0.00 0.00 83 P 0.00 4.40 0.00 2.15 2.07 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 84 E 7.64 4.61 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.30 0.00 85 T 8.41 4.08 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 86 S 9.15 4.69 0.00 3.83 3.65 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 87 S 8.60 4.81 0.00 3.85 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 88 N 7.97 4.27 0.00 2.85 2.96 0.00 0.00 6.99 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.13 4.04 0.00 1.01 0.28 0.37 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.57 5.05 0.00 2.87 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 91 I 8.54 3.76 1.91 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 1.45 0.62 1.00 0.00 0.00 92 N 8.10 4.84 0.00 2.85 2.90 0.00 0.00 7.04 7.66 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 93 S 7.88 4.29 0.00 3.77 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 *98 F 9.04 4.24 0.00 3.20 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 99 P 0.00 4.46 0.00 2.18 2.13 0.00 3.63 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.82 0.00 100 V 8.69 3.60 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 1.10 0.00 0.00 0.96 0.00 0.00 101 E 8.23 4.06 0.00 2.16 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 2.22 2.32 0.00 102 N 8.18 5.03 0.00 2.60 2.46 0.00 0.00 6.96 7.40 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 0.00 103 R 7.84 4.22 0.00 2.13 2.09 0.00 3.22 0.00 0.00 3.34 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 104 D 8.04 4.39 0.00 2.82 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 0.00 105 L 7.28 3.73 0.00 1.34 0.45 0.87 0.29 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 0.00 106 F 7.41 5.05 0.00 3.16 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 0.00 107 Q 7.87 4.10 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 108 A 7.04 4.64 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 0.00 109 G 8.63 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 0.00 0.00 0.00 110 L 8.76 5.11 0.00 1.64 1.76 0.96 0.78 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 0.00 111 T 8.93 5.26 4.39 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 1.39 0.00 0.00 112 T 8.77 4.85 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 1.00 0.00 0.00 113 I 8.75 4.81 1.90 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.73 0.98 0.00 0.00 114 V 8.83 4.54 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 1.01 0.00 0.00 0.89 0.00 0.00 115 P 0.00 4.61 0.00 1.95 1.93 0.00 3.70 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 1.99 2.22 0.00 116 I 8.71 4.38 1.93 0.00 0.00 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 1.28 0.72 1.05 0.00 0.00 117 I 8.35 5.07 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 1.26 0.60 0.97 0.00 0.00 118 G 9.23 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 0.00 0.00 0.00 119 G 9.54 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 0.00 0.00 0.00 120 G 8.47 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 0.00 0.00 0.00 121 E 7.72 4.63 0.00 2.20 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 122 R 8.47 4.55 0.00 1.67 2.00 0.00 3.50 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.82 0.00 123 L 9.10 4.49 0.00 1.68 1.75 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 124 G 6.99 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 0.00 0.00 0.00 125 T 8.23 5.03 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 1.28 0.00 0.00 126 L 9.20 4.96 0.00 1.79 1.70 0.99 0.88 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 0.00 127 I 9.02 5.05 2.15 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.81 1.04 0.00 0.00 128 L 9.04 5.59 0.00 1.26 1.66 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 129 S 9.13 5.57 0.00 4.08 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 0.00 130 R 9.19 5.10 0.00 1.59 1.68 0.00 2.21 0.00 0.00 2.75 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.44 0.00 131 L 9.24 4.03 0.00 1.75 1.67 0.95 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 132 Q 7.69 4.53 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.61 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 133 D 7.85 4.62 0.00 2.52 2.51 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 0.00 134 Q 8.34 4.11 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 135 F 8.75 4.51 0.00 3.04 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 0.00 136 N 9.09 4.94 0.00 3.01 3.00 0.00 0.00 6.55 8.87 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 0.00 137 D 8.52 4.42 0.00 2.78 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 0.00 138 D 8.23 4.38 0.00 3.00 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 0.00 139 D 8.68 4.48 0.00 3.12 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 0.00 140 L 8.20 4.03 0.00 1.94 1.74 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.05 3.74 2.09 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 1.55 0.97 1.02 0.00 0.00 142 L 8.01 4.11 0.00 1.92 1.75 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.39 4.05 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 0.00 144 E 8.63 3.99 0.00 2.11 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 2.33 2.44 0.00 145 Y 8.27 4.12 0.00 3.30 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 0.00 146 G 8.70 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 0.00 147 A 8.49 4.06 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 0.00 148 T 7.98 3.82 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 1.23 0.00 0.00 149 V 7.86 3.62 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 1.03 0.00 0.00 1.06 0.00 0.00 150 V 8.22 3.83 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 1.23 0.00 0.00 1.09 0.00 0.00 151 G 8.43 3.65 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 0.00 152 M 8.32 4.00 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 153 E 8.22 4.09 0.00 2.25 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 2.49 2.46 0.00 154 I 8.30 4.11 2.12 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 1.69 1.13 1.00 0.00 0.00 155 L 7.76 4.00 0.00 1.87 1.76 0.95 0.96 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 0.00 156 R 8.00 4.03 0.00 2.06 2.01 0.00 3.24 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 157 E 8.77 3.99 0.00 2.10 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 0.00 2.35 2.56 0.00 158 K 8.11 4.12 0.00 2.08 1.90 0.00 1.68 0.00 0.00 1.92 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.54 7.81 159 A 7.42 4.73 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 0.00 160 E 7.86 4.17 0.00 2.11 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 2.29 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.