NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4959 8.3049 118.1974 54.7379 32.2480 174.9235 2 L 3.8077 7.8587 121.2259 58.0045 42.3825 176.0811 3 A 4.3451 7.0538 118.1441 51.3425 22.6022 175.3096 4 D 4.6946 8.3863 118.5883 52.9230 40.9981 175.6025 5 K 4.0214 8.8857 117.5538 60.4661 32.1980 178.4424 6 E 4.4316 7.9443 118.8672 55.8323 27.1680 175.9154 7 S 4.4953 7.8843 113.3365 59.5493 65.9082 176.2312 8 L 4.4711 7.7434 119.2637 54.6631 41.1998 177.6819 9 I 3.9835 6.9999 119.5783 62.7553 38.0792 176.0552 10 E 4.2376 7.9499 122.4697 56.7470 30.1840 177.5751 11 A 4.3276 7.9513 120.3211 54.6805 19.4657 178.6940 12 L 4.6586 6.9961 116.7038 51.1972 41.8295 175.7258 13 K 4.4263 7.4808 117.1099 54.3795 33.8397 172.4177 14 L 4.1889 7.8223 117.8846 54.0569 45.2728 172.6573 15 A 4.5014 8.3556 127.1610 52.9931 25.5852 175.8683 16 L 4.3249 7.7721 116.3011 54.7432 41.8975 175.8298 17 S 4.4411 7.6991 122.7765 58.5543 65.7252 174.2580 18 T 4.5064 7.9450 104.1668 62.2702 70.4861 175.2021 19 E 3.8052 8.9416 125.3639 58.5409 32.0445 178.1938 20 Y 4.1242 8.4197 115.6643 59.5114 37.6065 177.4564 21 N 4.9814 5.7700 130.9000 53.9315 39.6215 173.5831 22 V 4.4897 7.9760 115.4118 61.1565 34.8659 176.3150 23 K 4.3190 8.3115 126.7591 55.2493 30.7874 178.2970 24 R 4.2416 7.4371 121.0879 55.8562 31.8379 175.9659 25 N 4.5635 8.8280 115.7945 56.4522 38.9694 175.2453 26 F 5.0980 7.3621 110.1454 54.5196 40.8241 174.9006 27 T 3.9522 8.4517 118.5707 64.0631 69.2751 175.1380 28 Q 4.5178 8.1233 125.4147 55.5783 30.6553 173.2373 29 S 5.0182 8.2797 117.4557 58.0166 65.4228 173.0706 30 V 4.4426 7.8573 119.7607 61.8978 34.6324 175.5086 31 E 4.6381 8.3863 123.2965 54.5207 32.5099 175.2416 32 I 4.5835 7.9723 120.4483 59.6462 40.8414 173.6752 33 I 4.8169 8.3650 129.3355 59.7098 40.7804 174.9692 34 L 5.1492 8.3983 126.3300 53.2143 45.1515 175.2714 35 T 4.7576 8.1773 109.1302 60.2293 70.9370 174.0072 36 F 4.9362 8.7042 125.8532 56.3184 41.4530 175.7525 37 K 4.3743 8.9621 120.3858 55.8971 32.6950 176.2949 38 G 3.9811 9.9386 114.5789 44.3999 0.0000 170.2307 39 I 4.2010 7.5553 118.4929 60.6327 40.7076 173.3725 40 D 4.3675 8.3724 123.1836 53.6688 43.5456 175.7354 *42 K 4.3444 8.5797 122.3178 56.2320 34.3669 176.3570 43 K 4.5220 8.0899 116.8581 55.1909 34.3868 175.7030 44 G 3.8190 8.2254 104.3973 45.0403 0.0000 172.7000 45 D 4.9466 8.7194 116.7165 52.3010 41.8283 177.2128 46 L 4.5807 7.6625 122.0946 53.4404 41.6170 177.5259 47 K 3.6261 8.5780 109.6669 56.7793 28.4557 172.6487 48 L 4.2971 7.9481 120.8934 53.8282 41.4091 175.9942 49 R 4.4629 8.1829 126.3443 53.8472 30.0747 173.8770 50 E 4.7292 8.2887 121.7285 54.2364 32.6103 176.7673 51 I 4.4852 8.0776 121.4645 59.8972 36.1061 175.0477 52 V 4.4425 7.9079 124.1695 60.0520 31.6010 174.3085 53 P 4.3186 0.0000 0.0000 61.1348 33.1521 175.1796 54 L 4.7323 7.8463 117.6296 52.9138 44.4068 174.0245 55 P 4.1490 0.0000 0.0000 65.0358 31.8104 176.9933 56 K 3.8934 7.8186 120.5957 57.0741 33.0098 176.7439 57 Q 4.5223 8.2435 121.7760 54.0189 30.0946 173.9952 58 P 5.1379 0.0000 0.0000 62.0626 30.6191 177.8383 59 S 4.6530 8.2544 123.7338 57.8850 64.4182 174.0279 60 K 3.9775 8.6750 120.6194 57.3777 31.0547 176.7699 61 A 4.1228 8.2880 129.3317 52.2996 18.3949 178.5927 62 K 4.3624 8.4417 117.3617 53.9052 34.2259 176.2116 63 R 4.7005 8.2305 120.0942 54.8081 33.3602 174.5423 64 V 4.5802 7.9961 120.1666 59.6921 34.8919 174.0382 65 L 4.7610 7.8951 125.2943 53.1253 44.4109 175.5320 66 V 4.4460 8.0207 123.2626 61.1421 34.6848 174.5043 67 V 4.6161 8.2174 126.0530 61.6150 30.9761 173.4074 68 P 4.5180 0.0000 0.0000 62.1406 30.8651 179.3175 69 S 4.4753 8.7357 115.4388 58.5534 66.0733 176.2468 70 S 4.5427 8.8716 112.1569 59.3459 62.8578 175.2952 71 E 4.6164 7.7864 117.5733 56.7460 29.6922 175.9483 72 Q 4.6443 7.5936 117.5265 55.5969 29.9456 176.3769 73 L 4.2269 7.6290 120.4628 57.3192 42.9304 178.2605 74 E 3.9612 8.0283 120.4322 59.6493 29.8291 177.6220 75 Y 4.4352 7.9826 113.9877 58.1239 37.6461 175.0731 76 A 4.8930 8.1178 121.8735 52.0360 19.9794 177.6650 77 K 4.6265 8.0126 114.7242 57.8450 34.8603 177.7544 78 K 4.6674 8.0422 118.5281 55.0529 30.7869 176.5930 79 A 4.2535 7.9513 119.3351 51.4950 23.3661 176.5075 80 S 3.6763 7.9816 110.0952 58.6123 62.4663 170.3625 81 P 4.1861 0.0000 0.0000 64.1847 30.7015 177.2328 82 K 4.4157 7.7201 122.4735 56.5699 34.2495 175.5133 83 V 4.5415 7.0339 115.2969 60.5608 34.8176 172.2105 84 V 4.7092 8.3761 122.5390 61.5761 34.4236 174.7063 85 I 4.8979 7.8786 128.1691 59.9779 39.9063 174.5885 86 T 4.8349 8.3863 113.9988 61.6386 68.9269 172.2175 87 R 4.3200 7.3481 115.5049 57.8218 32.1744 177.7807 88 E 4.0999 8.1707 119.2175 59.7886 30.4339 179.1024 89 E 4.3309 7.8715 116.7741 54.9795 28.3020 179.2912 90 L 4.4873 7.1410 118.6491 54.9260 43.3340 174.1559 91 Q 4.5967 8.0707 125.1487 55.1075 30.4106 175.9599 92 K 4.2664 8.2713 120.4976 57.5428 32.8477 176.2559 93 L 4.6968 7.6226 117.9901 54.4173 42.0382 177.1821 94 Q 4.5901 7.7966 116.2446 55.6717 29.5635 174.5937 95 G 4.0496 8.2534 103.9309 46.8079 0.0000 174.6338 96 Q 4.4807 7.8216 124.1544 55.2232 28.5451 174.6634 97 K 4.4874 7.9619 117.0723 58.7383 35.9851 178.2765 98 R 4.0047 8.2685 120.2541 59.2341 30.9636 177.0436 99 P 4.2617 0.0000 0.0000 64.9506 31.2047 177.5775 100 V 3.6854 7.4815 116.9233 65.3189 32.1151 176.3442 101 K 4.6140 8.0031 121.5133 55.3391 30.7213 177.0250 102 K 4.6959 7.5767 113.1057 55.9633 35.5696 177.0238 103 L 4.8816 7.3913 118.7291 53.6179 42.5544 176.5050 104 A 4.7902 7.8606 119.7792 53.3233 25.5472 178.6463 105 R 4.0947 8.2801 116.0325 58.7529 30.5499 177.3527 106 Q 4.6161 7.7616 114.7388 55.6154 28.8070 176.5064 107 N 4.6662 7.6983 115.3251 51.9791 40.7690 174.5906 108 E 3.8911 8.0414 123.5249 57.8904 29.4880 177.9490 109 W 4.1659 8.7165 115.6781 56.5789 30.7494 175.3252 110 F 4.8596 8.7734 119.0180 56.1037 41.3112 175.1615 111 L 5.0623 8.3661 121.6238 54.3457 43.1237 176.9223 112 I 3.8384 8.3467 119.2876 61.5838 37.5231 176.1181 113 N 4.5108 8.7305 122.0240 53.2661 38.9412 175.7342 114 Q 4.2618 8.6972 121.3906 57.8235 29.3119 176.3584 115 E 4.7462 7.4311 115.2934 55.8478 30.0316 176.5456 116 S 4.3369 7.7585 111.7759 59.0694 66.9649 175.0309 *118 A 4.3870 8.6067 127.9102 52.1617 20.0657 178.2228 119 L 4.0780 7.9449 115.0453 57.5142 42.4768 177.2937 120 A 4.6772 7.8904 116.2358 52.2330 22.8069 177.5458 121 G 3.7590 7.6970 106.3242 47.6211 0.0000 175.0033 122 R 4.1427 8.3122 120.1838 56.9361 30.9087 177.4513 123 I 4.3034 7.5759 118.7033 62.6820 38.3538 176.8276 124 L 4.8990 7.8785 118.4285 54.3019 44.9842 176.4636 125 G 3.8929 8.7523 108.4866 45.0271 0.0000 174.0900 126 P 4.5132 0.0000 0.0000 63.7500 31.5673 177.4456 127 A 4.1504 7.7412 121.2411 54.4745 18.9993 178.3187 128 L 4.2896 8.1297 117.5603 53.9854 39.4613 177.7613 129 G 3.6921 8.3661 111.3624 48.0452 0.0000 170.7822 130 P 4.3742 0.0000 0.0000 65.2735 31.3848 178.0653 131 R 3.8398 8.0565 117.4158 56.4245 30.6647 176.6783 132 G 3.8484 7.9145 105.4418 46.4121 0.0000 172.4272 133 K 4.0727 6.9625 118.7812 54.7504 35.5677 175.5572 134 F 4.4043 6.4399 113.9320 55.6794 40.0009 171.2724 135 P 4.7851 0.0000 0.0000 61.6433 32.4820 175.2349 136 T 4.8831 8.3217 110.8430 58.8819 71.8232 173.3797 137 P 4.6034 0.0000 0.0000 62.7071 32.2615 174.8470 138 L 4.2403 7.8548 116.2612 52.4736 45.6177 173.8322 139 P 4.2860 0.0000 0.0000 62.7696 31.8583 177.5106 140 N 4.6977 8.1166 118.1770 51.9784 37.0425 174.5148 141 T 4.5900 7.3639 110.2399 59.5242 72.1962 175.4482 142 A 4.3338 8.5678 124.3442 53.0921 18.3921 177.0048 143 D 4.7374 7.7010 116.4723 52.5970 43.9456 175.6694 144 I 4.4444 8.0428 123.4109 60.3876 38.9621 174.1177 145 S 4.9798 8.1239 121.2240 58.6853 70.0800 177.1241 146 E 4.0256 8.1904 120.3840 59.3757 29.1886 178.2205 147 Y 4.2276 8.0454 118.4405 60.4037 38.5981 177.6416 148 I 3.8491 7.8033 121.1348 64.4043 35.8574 178.0987 149 N 4.3682 7.9538 116.8804 55.7742 38.6078 176.0841 150 R 4.4751 7.8287 119.1769 56.0435 30.9332 176.2004 151 F 4.6605 7.4352 116.8368 59.0610 45.1076 175.2539 152 K 3.9524 7.9285 120.1419 59.2734 31.9135 179.2789 153 R 3.9070 6.9583 112.7369 57.8254 29.6846 176.5667 154 S 4.0596 6.5853 114.9677 58.5521 64.2714 173.2485 155 V 4.9339 7.6018 113.2564 60.3306 34.7166 175.1439 156 L 4.7784 9.2946 127.2485 53.3717 44.6774 176.3783 157 V 4.2694 8.1775 124.1205 60.0188 31.3343 174.8121 158 K 4.0672 8.2553 124.3798 56.7338 33.0981 177.1764 159 T 4.5304 8.1250 111.4823 60.7861 71.8647 171.6908 160 K 4.2153 8.6953 130.9182 56.3994 38.5683 176.3884 161 D 4.6302 8.8212 111.0891 52.6240 40.2894 176.6352 162 Q 4.5201 7.8310 117.2376 54.2998 32.3160 175.7695 163 P 4.1635 0.0000 0.0000 60.4016 29.2798 174.3243 164 Q 4.0342 6.3936 117.1423 55.9255 31.1012 176.4487 165 V 4.0131 8.4902 124.6666 62.3020 29.6292 173.4221 166 Q 4.5347 8.0542 120.1669 55.0846 29.3160 176.4241 167 V 4.3643 8.1803 124.7030 59.8225 31.5294 174.5385 168 F 4.1191 8.3689 124.9932 58.2592 40.0881 174.4337 169 I 4.8293 7.8347 121.1514 59.5822 42.7015 176.2383 170 G 4.6780 6.6017 107.9852 46.1166 0.0000 174.8128 171 T 4.3453 7.8956 119.6187 60.2589 69.3272 175.6092 172 E 4.8662 8.5010 105.9970 55.5069 30.3435 175.6155 173 D 4.4495 8.0160 119.5525 55.6412 42.2424 177.2214 *175 K 4.1266 7.7426 119.4797 55.5251 32.5552 174.4209 176 P 4.2310 0.0000 0.0000 65.6319 32.0676 177.7795 177 E 4.2298 8.1152 114.7207 57.3730 29.3660 177.3629 178 D 4.7936 8.5200 118.5827 55.1358 39.0785 176.6322 179 L 4.6196 7.7191 118.9574 55.0598 41.7254 179.1203 180 A 4.2929 7.6940 124.4965 55.2976 18.2738 178.6697 181 E 4.7095 7.5492 112.1222 55.7967 35.6259 177.0162 182 N 4.3468 8.2796 116.9762 57.1951 37.7738 176.4820 183 A 4.0088 7.9688 121.4449 54.8224 18.5870 178.8065 184 I 3.7707 7.5049 115.7177 62.3988 37.1276 176.7055 185 A 4.7438 7.8850 121.9174 52.5016 20.3613 177.2267 186 V 4.2370 7.9141 117.8318 65.6617 33.9567 176.8181 187 L 4.2299 7.5679 118.7557 57.8055 42.5395 179.5007 188 N 4.3113 8.2124 114.8063 56.3247 38.0199 176.5385 189 A 4.0649 7.8912 119.8532 55.2709 18.4408 177.4850 190 I 4.0920 7.0814 119.5879 62.2693 35.4889 175.0283 191 E 4.7023 8.2746 122.9287 56.4803 34.9103 175.2364 192 N 4.9423 7.6991 112.8869 53.2675 39.0713 173.7562 193 K 4.2928 7.7506 115.0119 57.5548 34.0840 176.9166 194 A 4.3109 7.8306 119.6977 52.1346 19.1005 177.5787 195 K 4.5178 8.1893 117.5083 54.5040 32.0698 175.9320 196 V 4.5686 7.3849 114.7889 60.2515 36.2371 173.0088 197 E 4.8159 8.3805 122.3024 57.1113 35.6191 174.6018 198 T 4.4648 7.2288 105.9195 61.6156 71.4315 172.8709 199 N 4.0916 8.9193 117.7251 53.6465 36.3144 173.9094 200 L 3.9676 7.5379 119.4046 54.6516 42.9641 177.8017 201 R 4.1214 7.5764 120.8609 56.0291 30.2913 176.0524 202 N 4.5504 8.6906 115.8325 54.4511 39.1048 173.9658 203 I 4.7972 7.9574 119.5735 59.9692 39.5316 174.9426 204 Y 4.9195 8.8480 122.9491 56.5880 41.9872 174.8218 205 V 4.7521 8.1029 113.0083 60.6422 36.8852 173.5321 206 K 4.8968 8.1725 120.1383 57.0876 35.1241 173.8854 207 T 4.4566 7.7001 111.5106 60.8825 70.3686 175.0910 208 T 4.8433 7.2632 114.3017 65.7669 68.3605 176.0184 *210 G 4.2439 7.3793 108.1840 44.2256 0.0000 175.5790 211 K 4.6355 7.0805 121.2501 54.3289 35.8535 174.9035 212 A 4.8898 8.4091 120.3367 51.4517 22.1460 176.8721 213 V 4.7280 8.0558 120.8901 61.8759 34.4386 174.2620 214 K 4.6309 8.5137 116.9760 55.8334 36.6153 175.3335 215 V 4.6250 7.7858 120.2998 61.7060 33.8897 173.7541 216 K 4.5702 8.0709 116.3645 55.2602 36.2738 176.0128 217 R 4.0884 8.3675 118.9353 56.7626 30.0351 175.8814 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 8.30 4.50 0.00 2.52 2.20 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 2 L 7.86 3.81 0.00 1.76 1.81 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 3 A 7.05 4.35 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 4 D 8.39 4.69 0.00 2.78 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 5 K 8.89 4.02 0.00 1.77 1.94 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.49 7.81 6 E 7.94 4.43 0.00 2.07 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 2.34 2.29 0.00 7 S 7.88 4.50 0.00 3.92 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 8 L 7.74 4.47 0.00 1.66 1.72 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.00 3.98 1.87 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 1.30 0.51 0.90 0.00 0.00 10 E 7.95 4.24 0.00 1.92 1.94 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 2.28 2.30 0.00 11 A 7.95 4.33 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 12 L 7.00 4.66 0.00 1.58 1.55 0.92 0.84 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 13 K 7.48 4.43 0.00 1.63 1.76 0.00 1.79 0.00 0.00 1.91 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.16 1.24 7.81 14 L 7.82 4.19 0.00 1.53 1.46 0.71 1.07 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 15 A 8.36 4.50 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 L 7.77 4.32 0.00 1.57 1.60 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.70 4.44 0.00 3.76 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.94 4.51 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 19 E 8.94 3.81 0.00 1.94 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 2.21 2.30 0.00 20 Y 8.42 4.12 0.00 2.86 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 21 N 5.77 4.98 0.00 2.78 2.67 0.00 0.00 6.98 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.98 4.49 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 0.87 0.00 0.00 0.92 0.00 0.00 23 K 8.31 4.32 0.00 1.77 1.74 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.39 7.81 24 R 7.44 4.24 0.00 1.53 1.75 0.00 3.28 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.39 0.00 25 N 8.83 4.56 0.00 2.97 3.02 0.00 0.00 6.54 7.45 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 26 F 7.36 5.10 0.00 3.14 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 27 T 8.45 3.95 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 28 Q 8.12 4.52 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 29 S 8.28 5.02 0.00 3.76 3.58 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 0.00 0.00 0.00 1.61 1.62 0.00 106 Q 7.76 4.62 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 107 N 7.70 4.67 0.00 2.42 2.33 0.00 0.00 7.12 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 0.00 108 E 8.04 3.89 0.00 1.82 1.80 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 2.37 2.21 0.00 109 W 8.72 4.17 0.00 3.28 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 0.00 110 F 8.77 4.86 0.00 3.03 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 0.00 111 L 8.37 5.06 0.00 1.67 1.68 1.03 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 0.00 112 I 8.35 3.84 2.01 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.78 1.07 0.00 0.00 113 N 8.73 4.51 0.00 2.86 2.77 0.00 0.00 6.78 7.69 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 0.00 114 Q 8.70 4.26 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.54 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 115 E 7.43 4.75 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 116 S 7.76 4.34 0.00 3.88 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 *118 A 8.61 4.39 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 0.00 119 L 7.94 4.08 0.00 1.62 1.74 0.99 0.94 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 0.00 120 A 7.89 4.68 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 0.00 121 G 7.70 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 0.00 0.00 0.00 122 R 8.31 4.14 0.00 1.82 1.99 0.00 3.19 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 123 I 7.58 4.30 1.90 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 0.62 0.98 0.00 0.00 124 L 7.88 4.90 0.00 1.70 1.82 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.75 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 0.00 0.00 0.00 126 P 0.00 4.51 0.00 2.18 2.21 0.00 3.51 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 127 A 7.74 4.15 1.30 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 0.00 0.00 128 L 8.13 4.29 0.00 1.67 1.64 1.06 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.37 3.69 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 0.00 0.00 0.00 130 P 0.00 4.37 0.00 2.18 2.19 0.00 3.69 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 1.99 1.99 0.00 131 R 8.06 3.84 0.00 1.81 2.03 0.00 3.37 0.00 0.00 3.42 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 132 G 7.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 6.96 4.07 0.00 1.56 1.15 0.00 1.94 0.00 0.00 2.44 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.31 7.81 134 F 6.44 4.40 0.00 2.94 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 0.00 135 P 0.00 4.79 0.00 2.26 2.09 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 136 T 8.32 4.88 4.56 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 1.57 0.00 0.00 137 P 0.00 4.60 0.00 2.20 2.18 0.00 3.87 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 138 L 7.85 4.24 0.00 1.39 1.16 0.91 1.17 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 0.00 139 P 0.00 4.29 0.00 1.77 1.81 0.00 2.78 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.00 140 N 8.12 4.70 0.00 2.66 2.73 0.00 0.00 6.63 7.54 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 0.00 141 T 7.36 4.59 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 1.15 0.00 0.00 142 A 8.57 4.33 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 0.00 143 D 7.70 4.74 0.00 2.49 2.40 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 0.00 144 I 8.04 4.44 1.88 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 1.38 0.86 0.95 0.00 0.00 145 S 8.12 4.98 0.00 3.89 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 0.00 146 E 8.19 4.03 0.00 2.11 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 2.41 2.48 0.00 147 Y 8.05 4.23 0.00 2.84 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 0.00 148 I 7.80 3.85 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.93 0.92 0.00 0.00 149 N 7.95 4.37 0.00 3.11 2.84 0.00 0.00 6.75 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 0.00 150 R 7.83 4.48 0.00 1.83 1.89 0.00 3.39 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 1.62 0.00 151 F 7.44 4.66 0.00 2.77 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 0.00 152 K 7.93 3.95 0.00 1.78 1.73 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.65 7.81 153 R 6.96 3.91 0.00 1.97 1.98 0.00 3.17 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.44 0.00 154 S 6.59 4.06 0.00 2.72 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 0.00 155 V 7.60 4.93 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 0.93 0.00 0.00 1.12 0.00 0.00 156 L 9.29 4.78 0.00 0.41 1.06 0.63 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 157 V 8.18 4.27 2.13 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 1.04 0.00 0.00 1.11 0.00 0.00 158 K 8.26 4.07 0.00 1.89 1.75 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.36 7.81 159 T 8.12 4.53 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 1.24 0.00 0.00 160 K 8.70 4.22 0.00 1.67 1.42 0.00 2.00 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.34 7.81 161 D 8.82 4.63 0.00 2.76 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 0.00 162 Q 7.83 4.52 0.00 1.93 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.58 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 163 P 0.00 4.16 0.00 2.06 2.16 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 164 Q 6.39 4.03 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.53 0.00 0.00 0.00 0.00 0.00 1.93 2.13 0.00 165 V 8.49 4.01 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 0.89 0.00 0.00 1.27 0.00 0.00 166 Q 8.05 4.53 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 167 V 8.18 4.36 2.13 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 0.87 0.00 0.00 1.08 0.00 0.00 168 F 8.37 4.12 0.00 3.10 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 0.00 169 I 7.83 4.83 1.87 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 1.35 0.80 0.81 0.00 0.00 170 G 6.60 4.68 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 0.00 171 T 7.90 4.35 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 172 E 8.50 4.87 0.00 1.98 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 2.09 2.42 0.00 173 D 8.02 4.45 0.00 2.75 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 *175 K 7.74 4.13 0.00 2.08 1.84 0.00 1.58 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.53 7.81 176 P 0.00 4.23 0.00 2.01 2.13 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 177 E 8.12 4.23 0.00 2.06 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 2.39 2.38 0.00 178 D 8.52 4.79 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 L 7.72 4.62 0.00 1.69 1.66 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 180 A 7.69 4.29 1.30 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 0.00 0.00 181 E 7.55 4.71 0.00 1.94 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 2.18 2.20 0.00 182 N 8.28 4.35 0.00 2.80 2.79 0.00 0.00 7.10 8.16 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 0.00 183 A 7.97 4.01 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 0.00 184 I 7.50 3.77 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.92 0.00 0.00 185 A 7.88 4.74 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 0.00 186 V 7.91 4.24 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 0.95 0.00 0.00 1.04 0.00 0.00 187 L 7.57 4.23 0.00 1.91 1.71 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 188 N 8.21 4.31 0.00 2.87 2.91 0.00 0.00 6.84 7.35 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 0.00 189 A 7.89 4.06 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 0.00 190 I 7.08 4.09 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 0.95 0.00 0.00 191 E 8.27 4.70 0.00 1.90 1.91 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 2.21 2.29 0.00 192 N 7.70 4.94 0.00 2.67 2.76 0.00 0.00 6.84 6.56 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 0.00 193 K 7.75 4.29 0.00 1.70 1.73 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.49 7.81 194 A 7.83 4.31 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 0.00 195 K 8.19 4.52 0.00 1.69 1.73 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.48 7.81 196 V 7.38 4.57 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 0.67 0.00 0.00 0.94 0.00 0.00 197 E 8.38 4.82 0.00 1.84 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 2.13 2.28 0.00 198 T 7.23 4.46 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 0.00 199 N 8.92 4.09 0.00 2.97 2.99 0.00 0.00 5.85 7.79 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 0.00 200 L 7.54 3.97 0.00 1.50 1.50 0.74 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 201 R 7.58 4.12 0.00 1.57 1.95 0.00 3.34 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 202 N 8.69 4.55 0.00 3.01 2.66 0.00 0.00 6.58 7.45 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 0.00 203 I 7.96 4.80 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.63 0.97 0.00 0.00 204 Y 8.85 4.92 0.00 2.92 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 0.00 205 V 8.10 4.75 2.30 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 0.94 0.00 0.00 0.95 0.00 0.00 206 K 8.17 4.90 0.00 1.91 1.82 0.00 1.57 0.00 0.00 1.77 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.40 7.81 207 T 7.70 4.46 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 208 T 7.26 4.84 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 1.31 0.00 0.00 *210 G 7.38 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 0.00 0.00 0.00 0.00 211 K 7.08 4.64 0.00 1.74 1.67 0.00 1.37 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.27 7.81 212 A 8.41 4.89 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 0.00 213 V 8.06 4.73 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 0.85 0.00 0.00 1.00 0.00 0.00 214 K 8.51 4.63 0.00 1.58 1.53 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.45 7.81 215 V 7.79 4.63 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 0.84 0.00 0.00 0.96 0.00 0.00 216 K 8.07 4.57 0.00 1.70 1.63 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.39 7.81 217 R 8.37 4.09 0.00 1.74 1.78 0.00 3.25 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.