NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7141 8.4201 119.2078 53.6611 39.4016 173.4401 0 A 4.2948 7.6952 119.4148 49.7927 21.4519 171.1823 2 V 3.2069 7.7570 111.9528 63.4034 33.8885 174.8298 3 Q 4.1285 7.9522 125.2932 59.2080 28.8937 177.6243 4 A 4.0755 8.0897 121.2944 54.1948 18.5574 178.3364 5 Q 4.5212 7.8265 114.7224 56.4719 28.6669 177.0801 6 T 4.3233 7.4519 118.2060 64.8589 69.4048 176.9150 7 R 3.7700 7.9289 120.8609 59.4212 30.1811 177.8894 8 D 4.3762 8.0207 118.7647 57.5657 40.7664 178.5437 9 Q 3.9273 7.6140 118.3652 59.6186 29.0190 178.9637 10 I 3.7220 7.4104 119.4312 64.2929 37.1194 178.7150 11 V 3.3370 8.2021 119.2543 65.7966 31.1489 177.8645 12 A 3.8958 8.3389 119.4700 55.0007 18.0360 179.1985 13 A 3.9750 8.2266 119.3117 55.4076 18.5735 179.8173 14 A 3.4756 8.1858 119.5196 54.8175 17.7220 179.1021 15 D 4.1812 7.8962 116.8599 57.6033 41.1081 178.4453 16 E 3.9599 7.7300 118.8317 59.1888 29.6210 178.5506 17 L 3.8990 7.8083 118.4198 57.9893 41.7185 179.1489 18 F 4.8198 8.1109 119.0495 60.6875 38.6800 177.5867 19 Y 4.2608 7.5635 116.4778 61.0393 38.7558 177.8949 20 R 3.0869 7.9046 117.7721 58.1997 30.1573 178.0750 21 Q 4.4675 8.6290 117.1600 54.7428 30.2728 176.0226 22 G 4.0238 7.6798 106.2409 44.4611 0.0000 174.5689 23 F 3.3363 9.7511 121.6008 60.6937 39.7080 177.3734 24 A 3.6567 8.4260 122.4702 55.4180 18.1930 179.0403 25 Q 4.0190 7.8639 112.7518 58.9473 29.0215 177.0249 26 T 4.2286 7.5567 115.2400 63.2089 68.7122 174.9569 27 S 4.7711 8.4199 121.5768 56.4843 66.6419 175.0271 28 F 3.7071 8.8266 120.5333 60.7869 38.6281 178.0683 29 V 3.1494 7.8848 117.1466 65.8851 31.0691 177.6564 30 D 4.2423 7.9182 118.6795 57.3954 40.7419 178.8229 31 I 3.6098 7.8382 120.6499 64.2683 37.1461 178.5938 32 S 3.9027 8.3189 115.9078 61.4476 62.4103 176.1828 33 A 3.9185 7.6061 123.1325 54.9226 18.1416 179.1949 34 A 4.0654 7.4861 117.9210 54.5434 18.6257 179.2442 35 V 3.8974 7.9206 115.1561 62.3601 33.1547 175.8517 36 G 3.9835 7.7058 106.4942 46.9874 0.0000 170.8689 37 I 4.7023 7.0311 110.2388 58.3111 41.5410 175.9968 38 S 4.3719 8.3745 114.6194 57.9672 63.1380 175.5825 39 R 3.9742 8.6999 118.3861 59.1419 29.4616 179.3866 40 G 3.6145 8.3214 105.6594 48.0136 0.0000 175.2899 41 N 4.4265 8.6537 120.3441 55.6897 38.8396 176.7937 42 F 4.0019 8.1439 122.6536 61.6221 39.2970 176.7220 43 Y 5.1337 7.6378 116.7089 60.4114 37.7078 176.9890 44 Y 4.5204 7.5345 120.1175 61.2054 38.8649 177.9332 45 H 3.7489 7.4486 114.9945 57.0952 29.3711 175.3148 46 F 5.2368 7.5775 117.3786 55.8486 42.7044 175.5491 47 K 4.9955 9.2916 117.1735 56.1376 36.9234 177.4197 48 T 5.1112 8.4698 108.3657 59.5383 72.7542 175.3058 49 K 4.0011 8.9501 120.7449 59.6143 32.0780 179.4251 50 D 4.5661 8.3163 118.8605 57.4706 40.3525 178.3459 51 E 4.1010 8.5996 119.2411 59.7371 29.5584 179.6275 52 I 3.1169 7.5050 119.3262 63.7432 36.9857 178.3508 53 L 4.1812 8.3039 121.0920 58.3880 42.2050 178.5972 54 A 4.1730 8.0469 120.6731 55.6121 18.1731 179.3287 55 E 4.1629 7.9582 115.5314 59.0945 29.8122 179.3320 56 V 3.6325 7.7139 118.1229 65.6336 31.4174 178.0599 57 I 3.8780 7.7760 119.8361 63.8570 37.0156 178.5139 58 R 3.8933 7.5140 117.8044 59.2459 29.9208 178.7188 59 L 4.1009 7.9497 119.9987 58.2243 41.9726 179.3055 60 R 3.7684 7.7575 117.6434 59.0179 29.6446 178.8604 61 L 3.9797 8.5897 119.2374 57.6784 41.4831 178.9323 62 A 4.0580 8.3518 121.7849 54.7360 18.2959 179.6400 63 R 3.8138 8.6565 117.4215 59.4775 30.2573 179.2221 64 T 3.7731 7.4851 114.9575 66.2789 68.9879 176.4644 65 A 3.7858 7.5907 121.9856 54.7993 17.8686 179.2778 66 Q 3.7282 7.7090 114.7165 57.5907 28.5534 177.5631 *68 L 2.7730 7.7947 115.2396 53.6841 43.6594 177.9112 69 A 4.1797 7.3778 121.8962 54.9775 18.8041 179.3800 70 D 4.1761 7.4840 114.4617 56.5930 40.9945 177.9806 71 W 5.1747 7.9386 117.7344 56.5835 28.2773 176.2958 72 Q 4.6521 9.3277 121.9570 57.2023 30.8745 177.9357 73 G 3.7455 8.3799 105.7564 48.9033 0.0000 174.8866 74 T 4.1179 7.7807 116.4235 65.4874 68.7993 175.7490 75 G 3.9715 7.4175 107.5726 45.2113 0.0000 173.0014 76 D 4.9537 8.5327 119.9823 52.0030 40.7030 176.1100 77 S 4.6035 7.6405 114.0668 55.6062 66.8477 172.7196 78 P 4.5777 0.0000 0.0000 65.1871 31.1323 178.4193 79 R 3.7606 8.0069 116.2785 59.7940 29.5347 178.0126 80 A 4.1447 7.7717 120.2051 55.0591 18.0518 179.3373 81 R 4.1134 7.8390 115.2664 58.3723 30.4127 178.7005 82 I 4.0627 8.4464 120.1886 64.0873 36.9592 177.9929 83 A 4.1365 8.5456 122.1085 55.2140 18.1829 179.9756 84 S 3.5473 7.5315 113.5669 61.4224 62.4998 176.2834 85 F 4.1507 7.4359 121.4759 61.6490 39.1595 177.0181 86 I 3.8654 7.7335 117.6166 64.0383 37.1530 177.2456 87 D 4.5957 7.4844 117.5004 54.8363 41.0709 178.8100 88 L 4.0536 6.8945 120.8156 54.9019 42.7689 177.1552 *90 I 3.9118 7.6110 114.9997 61.0571 38.8145 176.6589 *92 N 4.6386 7.9933 116.4096 52.7267 40.2746 176.1946 93 R 3.9165 7.9881 118.5013 59.5631 28.9742 178.5999 94 A 4.1939 7.8473 122.0860 54.2922 18.4884 179.6169 95 K 4.0740 8.0478 116.4539 59.8181 32.2614 179.5738 96 I 4.3745 8.4064 121.7218 64.3167 37.0499 178.6652 97 T 3.9069 8.4832 116.9721 65.8988 67.9427 176.1228 98 R 3.9634 7.2636 119.2693 57.6566 30.8848 176.9290 99 Y 4.6205 8.0504 113.4023 56.6319 39.4449 176.4439 100 G 3.9949 8.2138 107.8314 44.3740 0.0000 172.2110 101 C 4.4814 8.4083 118.4997 58.6302 32.0514 172.7112 102 P 4.3119 0.0000 0.0000 65.7065 30.9929 179.1109 103 V 3.3981 7.5164 117.7357 65.7235 31.6291 178.2014 104 G 3.9812 8.1156 106.4358 46.8461 0.0000 175.7791 105 S 4.2030 8.1226 116.7718 61.2188 62.9684 176.4079 106 L 3.8715 7.4816 123.5716 58.0600 41.9099 178.4862 107 C 4.0218 7.7727 116.4576 63.1528 28.1043 176.4577 108 T 3.8872 8.0830 111.1237 64.8703 68.3434 176.1339 109 E 3.9888 8.0331 121.9888 59.0023 29.4848 178.8399 110 L 3.9406 8.2331 119.1420 57.4107 41.5374 179.7180 111 S 4.7414 7.9344 116.7713 61.0218 62.6210 176.4895 112 K 3.9457 8.2798 121.3147 59.4632 32.0904 178.3084 113 L 4.1211 8.2536 116.8821 55.3201 42.2071 176.5837 114 D 4.3838 8.0211 119.1157 55.3559 39.2312 173.5547 115 H 4.3554 8.9232 119.6564 55.5960 30.9187 175.6577 116 A 4.0294 8.0210 126.5766 54.5949 18.7886 178.3627 117 A 4.3720 8.1137 117.6550 52.5959 18.7243 178.6059 118 Q 4.0104 8.1075 120.5780 60.3699 28.9824 179.2707 119 G 3.6603 8.0075 105.5781 47.1623 0.0000 175.4487 120 Q 3.9457 8.0082 120.5999 59.1978 29.3626 177.7344 121 A 4.0867 8.0497 121.7733 54.8819 18.3951 179.0553 122 N 4.5446 8.0437 115.8703 56.3213 38.9923 177.1978 123 G 3.9147 8.0319 107.6433 47.3499 0.0000 175.2157 124 L 3.9919 7.5981 121.1525 58.0508 41.6401 179.5802 125 F 4.7151 8.1873 116.9608 61.2170 38.7510 177.7870 126 T 4.0235 8.2168 109.2746 64.7784 68.1181 176.2599 127 L 3.9498 8.6426 122.1831 57.7914 41.5810 179.5905 128 F 4.1982 8.0431 116.7806 60.6087 39.1661 177.3053 129 R 3.9353 8.5796 118.1194 60.1406 29.7333 177.8074 130 D 4.5949 8.7742 117.8971 58.0066 41.1714 178.2549 131 W 4.1741 8.1369 128.1776 59.9846 30.4527 177.6671 132 L 3.9819 8.8983 118.3632 58.6570 41.3766 178.9412 133 Q 4.1952 8.5816 119.2554 59.5698 28.9478 178.1276 134 R 3.9692 8.4684 119.4246 58.5340 30.3690 178.2047 135 Q 3.9206 7.6405 116.8142 58.3339 29.1603 177.8393 136 F 4.0353 8.3933 119.1857 60.5422 38.7432 177.1091 137 A 4.4147 8.4808 122.3111 54.5117 17.9587 179.1004 138 E 3.7720 8.0931 116.2050 59.7421 29.8224 179.6901 139 A 4.1250 7.5813 118.9252 53.5285 18.3329 178.1849 140 G 4.2193 8.9383 107.1575 46.1485 0.0000 173.5579 141 C 4.9288 8.9957 117.0934 59.0197 29.3082 176.9960 142 T 3.9049 8.2598 116.9001 67.3544 68.4896 176.7276 143 T 3.8690 7.8387 116.3694 66.5618 68.5808 174.9738 144 E 4.5359 7.8213 117.7640 56.0753 30.0021 177.9332 145 A 4.0381 8.0936 122.6490 54.9711 18.1613 178.6864 146 P 4.2715 0.0000 0.0000 65.0343 31.5206 178.0493 147 A 4.2943 7.7094 118.1818 54.2880 19.5249 178.9852 148 L 4.0324 7.4805 117.2217 57.2785 41.3336 179.4040 149 A 4.4556 7.4603 117.2312 53.5506 17.8114 178.2760 *151 H 4.4236 8.0870 121.8140 57.1890 31.4602 175.3542 152 L 3.5149 8.0302 120.7576 57.7792 41.4227 178.6022 153 L 3.9756 8.3644 120.4588 58.0783 41.9523 178.5768 154 A 3.8791 7.8225 120.0120 55.4264 18.3712 179.3011 155 R 3.6961 7.9757 116.7422 59.7582 30.0675 179.3737 156 S 4.1600 7.8504 112.8909 61.4719 62.9811 176.5974 157 Q 4.1386 7.8913 121.3011 58.3199 28.4837 178.6277 158 G 3.6049 8.2864 106.7207 47.7692 0.0000 175.2567 159 A 3.9567 7.9633 123.8213 54.9389 18.4228 179.6911 160 A 4.0496 8.2919 119.1584 55.5141 18.3998 180.0668 161 T 3.9257 8.2991 114.5989 66.8255 68.5684 177.0279 162 L 4.3182 8.2030 120.6961 57.6578 41.6606 179.2266 163 A 4.3206 8.7278 121.3118 55.1951 18.2960 179.5227 164 Q 4.5658 8.0410 118.8292 59.1699 29.0729 178.3693 165 S 3.9967 8.1356 112.7245 60.6771 62.4753 175.1221 166 F 4.3575 8.3364 117.6255 56.2726 40.1913 175.0199 167 H 4.0518 7.8891 115.4552 57.1531 26.4256 175.8660 168 D 4.7669 8.9083 118.7334 52.0211 42.8468 175.4883 169 E 4.2599 8.7382 127.1171 58.3589 29.6688 178.9073 170 G 3.7979 8.5211 106.0694 47.0285 0.0000 175.6203 171 F 4.3630 8.1731 122.8005 60.8423 39.3750 177.1855 172 L 3.8293 7.7834 119.8220 57.7824 41.8947 178.9752 173 R 3.8653 8.3687 118.8097 59.2856 30.1186 179.1872 174 S 4.1231 7.9513 114.0065 61.3777 62.6207 176.4605 175 E 3.7362 7.4006 121.0831 58.8759 29.2797 178.9078 176 V 3.6083 7.3886 116.9053 66.1290 31.9187 177.6512 177 A 4.2557 7.7564 120.0089 54.8958 18.1217 179.8239 178 D 4.2036 7.8907 115.9800 54.8646 40.8871 177.8214 *180 H 4.8754 8.3117 116.5478 55.5693 31.0665 176.1906 181 R 3.9559 8.2729 118.3784 58.9115 29.6703 178.3046 182 W 4.3846 8.1833 127.0755 61.0307 30.7861 177.1202 183 L 3.4735 8.3651 119.1015 58.4973 41.0534 178.3769 184 D 4.1681 8.3968 118.3307 57.5712 40.7147 178.3105 185 N 4.3356 8.0968 114.1400 54.8503 38.6679 176.3014 186 T 4.3925 7.9195 117.3472 63.4966 69.8481 174.4403 187 L 4.1186 6.9390 120.5153 53.2269 40.8612 175.0728 188 P 4.1466 0.0000 0.0000 62.8071 31.8580 176.6125 *190 T 4.0024 8.1136 115.3857 63.4525 68.9817 174.3180 191 T 3.9868 8.5022 120.0379 62.3154 67.3223 173.6663 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 N 8.42 4.71 0.00 2.70 2.84 0.00 0.00 6.71 7.08 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 A 7.70 4.29 1.27 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 0.00 0.00 0.00 2 V 7.76 3.21 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 0.71 0.00 0.00 0.95 0.00 0.00 3 Q 7.95 4.13 0.00 2.44 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 4 A 8.09 4.08 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 5 Q 7.83 4.52 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 6 T 7.45 4.32 4.44 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 1.15 0.00 0.00 7 R 7.93 3.77 0.00 1.82 1.98 0.00 2.86 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 8 D 8.02 4.38 0.00 2.73 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 9 Q 7.61 3.93 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 10 I 7.41 3.72 2.07 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 1.55 0.33 0.75 0.00 0.00 11 V 8.20 3.34 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 0.94 0.00 0.00 1.00 0.00 0.00 12 A 8.34 3.90 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 13 A 8.23 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.19 3.48 0.65 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 15 D 7.90 4.18 0.00 2.81 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 16 E 7.73 3.96 0.00 2.09 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 0.00 2.26 2.33 0.00 17 L 7.81 3.90 0.00 1.62 1.70 0.83 1.09 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 18 F 8.11 4.82 0.00 3.29 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 19 Y 7.56 4.26 0.00 2.85 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 20 R 7.90 3.09 0.00 1.51 1.47 0.00 2.96 0.00 0.00 2.86 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.32 0.00 21 Q 8.63 4.47 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.79 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 22 G 7.68 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 23 F 9.75 3.34 0.00 2.51 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.43 3.66 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 25 Q 7.86 4.02 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 26 T 7.56 4.23 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 27 S 8.42 4.77 0.00 4.10 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 28 F 8.83 3.71 0.00 3.03 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 29 V 7.88 3.15 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 1.04 0.00 0.00 0.92 0.00 0.00 30 D 7.92 4.24 0.00 2.94 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 31 I 7.84 3.61 1.70 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 0.86 0.00 0.00 32 S 8.32 3.90 0.00 3.69 3.47 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 33 A 7.61 3.92 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 34 A 7.49 4.07 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 35 V 7.92 3.90 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 0.90 0.00 0.00 1.04 0.00 0.00 36 G 7.71 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 0.00 0.00 0.00 37 I 7.03 4.70 1.95 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.92 1.03 0.00 0.00 38 S 8.37 4.37 0.00 4.08 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 39 R 8.70 3.97 0.00 2.15 2.29 0.00 3.13 0.00 0.00 3.63 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 40 G 8.32 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 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4.00 0.00 1.96 1.93 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.68 1.49 7.81 50 D 8.32 4.57 0.00 2.91 2.83 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 51 E 8.60 4.10 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 52 I 7.51 3.12 1.82 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 0.49 0.42 0.00 0.00 53 L 8.30 4.18 0.00 2.02 1.88 0.82 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.05 4.17 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 55 E 7.96 4.16 0.00 2.03 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 2.46 2.71 0.00 56 V 7.71 3.63 2.32 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 1.06 0.00 0.00 0.76 0.00 0.00 57 I 7.78 3.88 1.99 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 1.49 0.89 0.88 0.00 0.00 58 R 7.51 3.89 0.00 2.05 1.96 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 59 L 7.95 4.10 0.00 1.74 1.74 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.76 3.77 0.00 2.00 1.90 0.00 3.23 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 61 L 8.59 3.98 0.00 1.81 1.67 0.91 0.46 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 62 A 8.35 4.06 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 63 R 8.66 3.81 0.00 1.65 1.93 0.00 3.11 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 64 T 7.49 3.77 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 0.79 0.00 0.00 65 A 7.59 3.79 1.16 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 66 Q 7.71 3.73 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.36 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 *68 L 7.79 2.77 0.00 1.15 0.89 0.17 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.38 4.18 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 70 D 7.48 4.18 0.00 2.82 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 71 W 7.94 5.17 0.00 3.33 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 9.33 4.65 0.00 2.39 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 73 G 8.38 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 74 T 7.78 4.12 4.63 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 1.27 0.00 0.00 75 G 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0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 94 A 7.85 4.19 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 95 K 8.05 4.07 0.00 2.10 2.23 0.00 1.89 0.00 0.00 2.13 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.85 1.69 7.81 96 I 8.41 4.37 1.92 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 1.62 1.90 0.96 0.00 0.00 97 T 8.48 3.91 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 98 R 7.26 3.96 0.00 1.38 1.40 0.00 2.95 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 99 Y 8.05 4.62 0.00 2.40 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 0.00 0.00 0.00 0.00 100 G 8.21 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 0.00 101 C 8.41 4.48 0.00 3.00 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 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0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 119 G 8.01 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 8.01 3.95 0.00 2.05 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.06 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 121 A 8.05 4.09 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 0.00 122 N 8.04 4.54 0.00 2.92 3.05 0.00 0.00 6.97 7.78 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 0.00 123 G 8.03 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 0.00 124 L 7.60 3.99 0.00 1.89 1.72 0.88 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.19 4.72 0.00 3.36 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 0.00 126 T 8.22 4.02 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 1.37 0.00 0.00 127 L 8.64 3.95 0.00 1.84 1.48 0.78 1.00 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 0.00 128 F 8.04 4.20 0.00 3.59 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.58 3.94 0.00 1.97 2.16 0.00 3.14 0.00 0.00 3.21 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 130 D 8.77 4.59 0.00 2.91 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 0.00 131 W 8.14 4.17 0.00 3.37 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 0.00 132 L 8.90 3.98 0.00 2.29 2.03 1.28 0.25 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 0.00 133 Q 8.58 4.20 0.00 2.19 2.33 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 2.41 2.51 0.00 134 R 8.47 3.97 0.00 1.85 1.81 0.00 2.85 0.00 0.00 2.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 135 Q 7.64 3.92 0.00 1.95 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.59 0.00 0.00 0.00 0.00 0.00 1.43 1.32 0.00 136 F 8.39 4.04 0.00 3.20 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.48 4.41 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.09 3.77 0.00 1.89 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 2.29 2.47 0.00 139 A 7.58 4.12 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 0.00 140 G 8.94 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 0.00 0.00 0.00 0.00 141 C 9.00 4.93 0.00 3.15 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 0.00 142 T 8.26 3.90 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 0.00 143 T 7.84 3.87 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 1.20 0.00 0.00 144 E 7.82 4.54 0.00 1.96 1.83 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 2.20 2.32 0.00 145 A 8.09 4.04 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 0.00 146 P 0.00 4.27 0.00 2.03 2.16 0.00 3.67 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 2.04 2.19 0.00 147 A 7.71 4.29 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 0.00 148 L 7.48 4.03 0.00 0.44 0.40 0.55 0.76 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 0.00 149 A 7.46 4.46 1.53 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 0.00 0.00 *151 H 8.09 4.42 0.00 3.17 3.27 0.00 5.87 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.03 3.51 0.00 2.09 1.91 1.12 0.59 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 0.00 153 L 8.36 3.98 0.00 1.87 1.51 1.07 1.28 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 0.00 154 A 7.82 3.88 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 0.00 155 R 7.98 3.70 0.00 1.74 1.83 0.00 3.03 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.21 0.00 156 S 7.85 4.16 0.00 4.00 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 0.00 157 Q 7.89 4.14 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.63 2.50 0.00 158 G 8.29 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 0.00 159 A 7.96 3.96 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 0.00 160 A 8.29 4.05 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 0.00 161 T 8.30 3.93 4.45 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 1.27 0.00 0.00 162 L 8.20 4.32 0.00 2.08 1.57 0.74 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.73 4.32 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 Q 8.04 4.57 0.00 2.31 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 165 S 8.14 4.00 0.00 4.07 3.74 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 0.00 166 F 8.34 4.36 0.00 3.07 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 0.00 167 H 7.89 4.05 0.00 3.29 3.30 0.00 5.61 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 D 8.91 4.77 0.00 2.87 2.61 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 0.00 169 E 8.74 4.26 0.00 2.07 1.99 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 2.42 2.39 0.00 170 G 8.52 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 0.00 171 F 8.17 4.36 0.00 3.17 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 0.00 172 L 7.78 3.83 0.00 1.80 1.76 0.86 1.00 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 0.00 173 R 8.37 3.87 0.00 1.90 1.94 0.00 3.18 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 174 S 7.95 4.12 0.00 4.03 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 0.00 175 E 7.40 3.74 0.00 1.78 1.79 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 1.47 1.64 0.00 176 V 7.39 3.61 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 0.76 0.00 0.00 0.94 0.00 0.00 177 A 7.76 4.26 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 D 7.89 4.20 0.00 2.86 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 *180 H 8.31 4.88 0.00 3.50 3.37 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 R 8.27 3.96 0.00 2.11 2.03 0.00 3.19 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 182 W 8.18 4.38 0.00 3.27 3.37 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 0.00 183 L 8.37 3.47 0.00 2.06 1.92 0.87 1.26 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 0.00 184 D 8.40 4.17 0.00 2.92 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 N 8.10 4.34 0.00 2.88 2.81 0.00 0.00 6.95 7.15 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 0.00 186 T 7.92 4.39 3.72 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 0.95 0.00 0.00 187 L 6.94 4.12 0.00 1.38 1.58 0.81 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 188 P 0.00 4.15 0.00 2.01 1.98 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 *190 T 8.11 4.00 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 1.19 0.00 0.00 191 T 8.50 3.99 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.