NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5102 8.2233 120.1950 54.3035 43.1357 177.4159 *4 Q 4.2054 8.1739 117.2409 55.8620 30.9394 176.9619 5 H 4.0802 8.3458 116.4602 59.6322 29.5664 176.9168 6 R 3.6810 8.1158 120.2011 59.2187 29.8005 178.5082 7 I 3.7916 7.6508 119.1266 64.6882 37.4035 178.6024 8 R 3.9323 8.0929 118.6310 58.9417 29.6968 179.0210 9 Q 3.9989 8.0735 119.8344 59.0496 29.0686 178.1014 10 L 3.9880 8.3385 120.4435 57.8438 41.6087 179.4287 11 F 3.9164 8.7848 118.0676 60.7242 38.8518 177.8297 12 Q 4.0524 8.2463 117.0082 58.9013 28.5275 178.5571 13 A 4.1342 8.3419 122.0854 55.0006 18.2115 179.7642 14 S 3.9702 8.0285 111.8037 61.5553 62.5310 176.3771 15 I 3.7349 8.0786 122.9084 64.5717 36.8563 178.3695 16 E 4.5418 8.6069 121.1075 59.2188 29.2468 179.5247 17 T 3.8857 7.9806 115.9337 66.4210 68.3808 176.6476 18 K 3.9955 7.8569 121.7808 59.5084 32.2148 178.9005 19 Q 4.0038 8.1499 118.3822 59.2332 28.5598 178.9048 20 Q 4.0868 8.2278 118.6352 58.4724 28.6547 178.4395 21 A 4.0124 8.4179 122.7082 55.0017 18.1993 179.2730 22 L 3.8845 8.1153 118.1927 58.1589 42.0774 178.5575 23 E 4.2507 7.7956 117.2647 58.0407 29.7409 178.1206 24 V 4.2932 7.7095 110.1667 62.1757 33.2582 177.5689 25 L 4.4412 8.1769 118.9865 56.9416 41.7747 177.0647 26 P 4.2478 0.0000 0.0000 65.2862 31.1051 176.6978 27 P 4.1076 0.0000 0.0000 65.8742 31.1761 178.2783 28 Y 4.1211 7.6484 114.9019 60.8083 37.8594 178.2632 29 I 3.7214 8.1043 121.1221 64.2260 37.2378 177.9089 30 E 3.9025 8.2772 120.1752 59.4535 29.6243 178.6154 31 Q 3.9344 8.2785 119.3892 59.1025 28.8531 178.0715 32 A 4.0245 8.1096 121.3076 55.2799 18.5239 179.5123 33 S 4.2562 7.9888 111.5832 61.3830 63.4096 176.3660 34 L 4.1493 7.9873 122.7163 57.4573 41.3977 179.5581 35 V 3.5978 7.4138 114.0723 64.3093 31.3231 177.3963 *37 V 3.9162 7.6225 117.8365 62.8264 33.2988 176.8463 38 N 4.2284 8.8267 117.7905 56.6761 38.5547 176.6012 39 A 3.9910 7.9344 121.8471 55.2427 18.0801 179.6455 40 L 3.9301 7.8400 117.0156 57.9737 41.5379 179.6444 41 L 4.0771 7.9465 118.1364 57.3285 41.5628 177.8764 42 N 4.7301 8.1026 115.3205 53.3519 39.5074 174.6910 43 E 3.7783 7.6366 116.3522 57.4641 27.9340 174.9773 44 G 4.3616 7.9673 107.5709 44.9756 0.0000 173.4133 45 K 4.9533 8.6556 117.0078 55.6614 36.8489 175.0030 46 I 4.9404 8.8102 121.7887 59.6367 39.7793 174.7220 47 L 5.3628 8.9456 127.4443 52.9837 44.2235 175.7349 48 S 5.2703 8.9939 117.4860 56.9008 66.6884 172.6205 49 C 4.5824 8.6879 115.4783 57.3301 32.8416 172.8566 50 G 4.6118 7.9339 105.4707 45.7244 0.0000 172.0318 51 N 5.1954 8.5504 117.6655 51.1064 42.2191 175.6345 52 G 3.8541 8.9921 110.0522 46.6645 0.0000 177.9230 53 G 3.6796 8.8201 112.8955 48.0298 0.0000 174.5154 54 S 4.3675 8.0353 114.4856 59.7032 62.9111 175.7796 55 A 4.2722 8.0118 124.9841 54.4883 18.4454 179.8476 56 G 3.6096 8.0531 103.9142 48.0045 0.0000 175.1519 57 D 4.4779 8.2585 120.8591 57.3102 40.7617 178.8719 58 A 4.0243 7.6951 120.4408 55.3441 18.3954 179.7737 59 Q 4.0041 8.0529 116.0847 59.2484 28.8287 178.3327 60 H 4.2417 9.0665 119.7865 59.3745 29.4428 176.5105 61 F 4.0515 8.5902 122.6438 62.1320 39.1426 177.4631 62 S 3.9212 8.2273 114.0711 61.3149 62.5795 176.7304 63 S 4.0310 8.6230 116.2943 61.4126 62.0500 175.5996 64 E 3.8736 8.0649 121.1703 60.0171 29.2627 179.7180 65 L 3.8919 7.3539 117.6136 57.0681 41.4292 179.3281 66 L 4.0630 7.3500 120.8023 57.1103 42.3611 177.4684 67 N 4.0316 7.9892 114.5524 53.3596 39.2460 175.4701 68 R 3.7896 7.0991 115.6316 57.2927 27.9070 177.1459 69 F 4.6740 7.8834 115.8066 59.3189 39.6841 176.7435 70 E 4.6382 8.3607 118.4210 56.5403 31.3467 176.7312 71 R 4.6542 7.6478 116.2066 54.4056 33.3151 180.1985 72 E 4.3967 8.4949 122.6643 54.1421 28.2113 174.6581 73 R 4.4580 7.4422 119.0720 52.5043 33.1860 173.7538 74 P 4.1948 0.0000 0.0000 62.6326 31.6930 176.9115 75 S 4.4039 8.4111 117.8140 58.6557 63.4245 173.6049 76 L 4.8522 8.5466 124.4518 51.9241 44.8814 175.0370 77 P 4.9024 0.0000 0.0000 62.4927 29.1188 173.1963 78 A 5.1789 7.7998 125.7775 50.8632 21.5585 176.3517 79 V 4.4242 8.9512 122.6005 61.0079 34.7439 174.2623 80 A 4.8495 8.7028 129.7603 51.2435 19.7552 176.5292 81 L 4.3458 8.6783 123.2486 54.7687 42.7230 177.6536 82 T 4.3795 8.6945 122.4590 63.3101 70.8038 174.5370 *97 Y 4.3559 8.0229 128.7928 56.7183 38.2500 173.4139 98 N 4.6289 7.8159 118.3939 54.7840 39.6643 176.8477 99 E 4.6579 7.6856 118.6067 55.4278 30.1813 177.6453 100 V 3.5899 7.6207 113.4199 64.4391 31.5089 178.2042 101 F 4.5338 7.7750 116.6562 60.6420 38.7088 177.6094 102 S 4.1933 8.3170 114.3946 62.0862 62.6477 177.1756 103 K 4.0680 8.7355 120.9547 59.4534 31.8040 179.6000 104 Q 4.0711 7.8101 118.1549 58.7597 28.4562 178.7693 105 I 3.7127 7.9927 120.8991 64.5014 36.9976 178.4082 106 R 3.9849 7.9476 117.2961 59.5725 30.0246 178.7282 107 A 4.1533 8.0832 118.9900 54.3101 18.4141 178.1217 108 L 4.5035 7.7484 115.7163 55.5013 43.8142 177.7362 109 G 3.7728 8.9161 108.8186 45.3561 0.0000 172.8457 110 Q 4.7196 9.1709 122.3892 52.7585 32.0177 173.5742 111 P 4.8990 0.0000 0.0000 63.7312 31.8211 176.7058 112 G 4.0352 8.8082 110.5629 45.4622 0.0000 173.6555 113 D 4.7072 7.6141 118.4686 54.6878 41.8483 176.0950 114 V 4.6118 8.6694 119.6710 61.1147 34.8139 173.8886 115 L 4.8972 8.7324 129.9341 53.5256 43.8274 174.8957 116 L 4.6339 9.0139 129.9584 54.1165 43.1363 174.8390 117 A 4.9137 8.7045 129.6895 50.1948 21.4760 175.1295 118 I 4.9690 8.3703 123.9349 59.5661 40.5140 175.0593 119 S 4.9687 9.0039 119.9130 58.5471 65.9692 175.6936 120 T 4.1320 8.6213 111.3993 63.6145 69.4712 176.2128 121 S 4.1923 8.1037 115.8466 58.7357 63.6446 175.3392 122 G 3.9202 8.3547 107.3500 45.5053 0.0000 173.2715 123 N 4.8190 8.1660 115.3264 52.4853 39.7574 175.6776 124 S 4.1096 8.1276 115.5742 58.9861 63.8881 174.7360 125 A 4.0217 8.7054 128.8871 55.2652 18.3058 179.1960 126 N 4.7780 8.0708 116.4851 55.7759 37.5253 177.5124 127 V 3.7222 7.8883 120.1664 65.6140 31.7371 177.8914 128 I 3.7284 7.9863 119.7821 64.5038 36.9752 178.2620 129 Q 4.1506 8.1916 118.0946 58.0877 28.5956 178.3851 130 A 4.0615 8.4021 122.9883 54.9823 18.3336 179.6572 131 I 3.5369 7.7699 118.3293 64.6005 37.2113 178.5575 132 Q 3.9811 7.8854 118.0727 59.1431 28.3748 179.0701 133 A 4.0294 7.8789 120.0221 54.6909 18.5814 179.4584 134 A 4.0463 7.9609 119.6027 55.7805 18.5802 179.4641 135 H 4.2186 8.1880 114.8477 59.3075 28.5485 177.7339 136 D 4.4619 8.1251 119.5835 57.0449 40.7491 178.0749 137 R 4.5359 7.7111 116.3835 54.5206 30.7709 173.8628 138 E 3.7776 7.9827 123.5962 56.3173 26.7919 173.1144 *140 L 4.5835 7.6887 121.7006 54.3374 44.0118 175.5116 141 V 4.6753 9.0195 121.6319 61.1512 34.3681 174.3449 142 V 4.5898 8.6861 128.1371 61.4046 33.3045 174.1288 143 A 4.9637 9.0702 131.0871 50.1933 21.3357 175.0912 144 L 4.8355 8.9536 124.4601 54.2676 43.0604 176.3919 145 T 5.4930 8.3853 113.7602 59.4582 73.2965 172.4416 146 G 3.7579 7.8649 107.6826 46.2031 0.0000 173.1807 147 R 3.6219 8.1156 121.4108 58.0322 29.6168 177.1057 148 D 4.8690 8.5843 121.8909 54.9845 41.5645 176.7686 149 G 4.3136 8.4681 113.8970 44.8307 0.0000 177.2858 150 G 3.7617 7.4854 106.9927 46.5256 0.0000 176.3551 151 G 3.9636 8.5953 107.4258 43.8186 0.0000 172.4819 *153 A 4.2845 7.8915 125.6790 51.9087 20.8679 178.1111 154 S 4.4687 7.4463 110.1180 59.5665 63.8439 175.9429 155 L 4.2786 7.7978 118.8612 55.5870 41.8197 176.8808 156 L 4.4313 7.6228 119.2351 54.3067 42.5872 176.4331 157 L 4.5790 8.4831 122.6674 52.2756 43.3673 175.8978 158 P 4.2380 0.0000 0.0000 65.6998 30.8547 177.0344 159 E 4.3420 7.9305 115.6433 56.7905 30.1750 175.6363 160 D 4.8309 7.8191 118.9028 54.0594 42.2958 175.8659 161 V 4.4860 8.7607 119.1422 61.2947 34.9032 173.4580 162 E 4.9429 8.8862 128.1989 54.5809 31.8059 175.3314 163 I 4.1903 8.9226 128.1343 59.5570 38.7936 173.6062 164 R 4.7593 7.9406 127.0192 54.1009 31.1158 175.7486 165 V 3.7145 8.5159 128.6970 61.7555 31.8773 175.7377 166 P 4.6252 0.0000 0.0000 61.3204 29.4350 175.0069 167 S 4.5510 7.2789 114.8122 58.3767 65.4739 174.7644 168 K 4.4409 8.4988 122.1856 56.2387 33.6165 176.9735 169 I 4.1268 7.6924 121.7546 60.2300 37.8086 175.9938 170 T 3.8331 8.6296 122.4680 66.9096 68.3802 175.9350 171 A 3.9519 7.9540 121.5422 55.4285 18.4704 179.7418 172 R 4.0102 7.8950 115.9455 59.3232 30.0650 179.2595 173 I 3.5839 7.8379 119.6435 64.3705 37.1228 178.2500 174 Q 3.9323 8.2141 119.1785 59.2115 28.4391 179.0908 175 E 3.9407 8.0505 119.2881 59.5056 29.4554 179.6536 176 V 3.6787 7.7975 118.0898 65.8382 31.4622 177.8302 177 H 4.1832 8.4378 116.5028 58.7118 28.5904 177.3387 178 L 3.8792 7.9494 122.0214 58.1173 41.8473 178.6766 179 L 3.9895 7.7173 120.0416 58.2311 41.9044 178.8816 180 A 4.0036 8.1488 120.7513 55.1840 18.3201 179.6948 181 I 3.6836 8.0908 118.7053 64.8669 37.1708 178.4051 182 H 4.3843 8.3338 117.0993 59.0901 28.4961 177.6808 183 C 4.2375 8.4869 118.8277 62.6103 27.8684 176.1156 184 L 4.0045 8.1949 120.7859 58.1610 41.3053 179.2046 185 C 4.1266 8.3474 116.5651 63.0199 27.9954 175.8925 186 D 4.3381 8.0202 118.9667 57.4556 40.8431 178.3445 187 L 4.0215 8.0630 119.5111 57.4509 41.5748 179.4034 188 I 3.6564 7.9975 120.1019 64.6138 37.1187 178.0235 189 D 4.5183 8.0968 119.4981 57.5443 40.8284 178.9580 190 R 3.9438 8.2999 119.3223 59.6178 29.8431 178.6314 191 Q 3.9926 8.3119 117.3615 58.5607 28.7918 177.9511 192 L 3.9706 7.5979 118.9485 55.9198 41.9153 177.5146 193 F 4.8528 8.0132 113.8478 56.0208 40.6816 175.2600 194 G 4.1908 8.0569 115.2597 46.0051 0.0000 173.7418 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 2 D 8.22 4.51 0.00 2.78 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 *4 Q 8.17 4.21 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 5 H 8.35 4.08 0.00 3.25 3.43 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.12 3.68 0.00 1.90 1.88 0.00 3.21 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 1.62 1.70 0.00 7 I 7.65 3.79 1.87 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 1.70 0.58 1.01 0.00 0.00 8 R 8.09 3.93 0.00 1.86 1.96 0.00 3.09 0.00 0.00 3.01 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.80 0.00 9 Q 8.07 4.00 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 10 L 8.34 3.99 0.00 1.96 1.70 0.94 1.03 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 11 F 8.78 3.92 0.00 3.16 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.25 4.05 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 13 A 8.34 4.13 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 14 S 8.03 3.97 0.00 3.87 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 15 I 8.08 3.73 2.03 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 1.58 0.80 0.94 0.00 0.00 16 E 8.61 4.54 0.00 2.12 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 2.34 2.34 0.00 17 T 7.98 3.89 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 18 K 7.86 4.00 0.00 1.98 1.91 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.48 7.81 19 Q 8.15 4.00 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 20 Q 8.23 4.09 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 21 A 8.42 4.01 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 22 L 8.12 3.88 0.00 1.79 2.01 0.94 1.02 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 23 E 7.80 4.25 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 2.33 2.56 0.00 24 V 7.71 4.29 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 0.85 0.00 0.00 1.02 0.00 0.00 25 L 8.18 4.44 0.00 1.80 1.77 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.25 0.00 2.14 2.13 0.00 3.63 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 27 P 0.00 4.11 0.00 1.44 1.80 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 28 Y 7.65 4.12 0.00 3.13 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 29 I 8.10 3.72 1.90 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 1.43 0.98 0.93 0.00 0.00 30 E 8.28 3.90 0.00 2.09 2.06 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 2.29 2.31 0.00 31 Q 8.28 3.93 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 32 A 8.11 4.02 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 33 S 7.99 4.26 0.00 4.08 4.12 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 34 L 7.99 4.15 0.00 1.86 1.75 0.90 0.78 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 35 V 7.41 3.60 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 0.99 0.00 0.00 1.00 0.00 0.00 *37 V 7.62 3.92 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 0.92 0.00 0.00 0.93 0.00 0.00 38 N 8.83 4.23 0.00 2.81 2.98 0.00 0.00 7.17 8.47 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 39 A 7.93 3.99 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 40 L 7.84 3.93 0.00 1.82 1.71 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.95 4.08 0.00 1.74 1.70 0.87 0.98 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 42 N 8.10 4.73 0.00 2.90 2.83 0.00 0.00 7.10 6.96 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 43 E 7.64 3.78 0.00 2.10 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 2.25 2.38 0.00 44 G 7.97 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 45 K 8.66 4.95 0.00 2.02 1.87 0.00 1.28 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.62 1.43 7.81 46 I 8.81 4.94 2.06 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 1.11 0.00 0.00 47 L 8.95 5.36 0.00 1.54 1.53 0.93 0.73 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 48 S 8.99 5.27 0.00 3.76 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 49 C 8.69 4.58 0.00 1.23 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 0.00 0.00 0.00 0.00 50 G 7.93 4.61 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 0.00 0.00 0.00 51 N 8.55 5.20 0.00 2.78 2.75 0.00 0.00 6.75 7.68 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 52 G 8.99 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 53 G 8.82 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 54 S 8.04 4.37 0.00 4.13 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 55 A 8.01 4.27 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.05 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 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.26 4.48 0.00 2.93 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 58 A 7.70 4.02 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 59 Q 8.05 4.00 0.00 2.44 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.23 0.00 60 H 9.07 4.24 0.00 3.37 3.52 0.00 5.81 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.59 4.05 0.00 3.13 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 62 S 8.23 3.92 0.00 3.92 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 63 S 8.62 4.03 0.00 4.02 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 64 E 8.06 3.87 0.00 2.14 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 2.26 2.35 0.00 65 L 7.35 3.89 0.00 1.42 1.55 0.42 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.35 4.06 0.00 1.72 1.69 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.99 4.03 0.00 2.12 1.42 0.00 0.00 7.19 8.46 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 68 R 7.10 3.79 0.00 1.73 2.12 0.00 3.34 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.73 0.00 69 F 7.88 4.67 0.00 3.07 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 70 E 8.36 4.64 0.00 2.07 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 0.00 2.22 2.28 0.00 71 R 7.65 4.65 0.00 1.79 1.66 0.00 3.25 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 72 E 8.49 4.40 0.00 1.87 1.85 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 2.14 2.23 0.00 73 R 7.44 4.46 0.00 1.12 1.51 0.00 3.17 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.39 0.00 74 P 0.00 4.19 0.00 2.04 2.00 0.00 2.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 75 S 8.41 4.40 0.00 3.80 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 76 L 8.55 4.85 0.00 1.48 1.51 0.98 0.93 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 77 P 0.00 4.90 0.00 2.12 2.21 0.00 3.65 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 2.15 1.98 0.00 78 A 7.80 5.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.95 4.42 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 1.05 0.00 0.00 0.94 0.00 0.00 80 A 8.70 4.85 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 81 L 8.68 4.35 0.00 1.55 1.87 0.95 0.67 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 82 T 8.69 4.38 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 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7.99 3.71 2.04 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 1.52 0.98 0.94 0.00 0.00 106 R 7.95 3.98 0.00 2.01 2.03 0.00 3.18 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 107 A 8.08 4.15 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 0.00 108 L 7.75 4.50 0.00 1.70 1.71 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.92 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 9.17 4.72 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 111 P 0.00 4.90 0.00 2.04 2.00 0.00 3.74 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 2.03 2.16 0.00 112 G 8.81 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.61 4.71 0.00 2.68 2.70 0.00 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0.00 0.00 2.39 2.39 0.00 130 A 8.40 4.06 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 0.00 131 I 7.77 3.54 2.02 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 1.44 0.62 0.82 0.00 0.00 132 Q 7.89 3.98 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 133 A 7.88 4.03 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 0.00 134 A 7.96 4.05 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 0.00 135 H 8.19 4.22 0.00 3.20 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.13 4.46 0.00 2.85 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 0.00 137 R 7.71 4.54 0.00 1.93 1.93 0.00 3.44 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 1.80 1.81 0.00 138 E 7.98 3.78 0.00 2.21 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 2.23 2.27 0.00 *140 L 7.69 4.58 0.00 1.67 1.63 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 141 V 9.02 4.68 2.06 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 1.01 0.00 0.00 0.82 0.00 0.00 142 V 8.69 4.59 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 0.86 0.00 0.00 0.89 0.00 0.00 143 A 9.07 4.96 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 0.00 144 L 8.95 4.84 0.00 1.35 1.23 0.71 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.39 5.49 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 1.17 0.00 0.00 146 G 7.86 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 0.00 147 R 8.12 3.62 0.00 1.87 1.30 0.00 3.09 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 148 D 8.58 4.87 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.47 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 0.00 150 G 7.49 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 0.00 151 G 8.60 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 0.00 0.00 0.00 *153 A 7.89 4.28 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 0.00 154 S 7.45 4.47 0.00 4.05 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 7.80 4.28 0.00 1.69 1.79 0.93 0.99 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 0.00 156 L 7.62 4.43 0.00 1.63 1.60 0.89 0.96 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 0.00 157 L 8.48 4.58 0.00 1.63 1.51 0.68 0.90 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 0.00 158 P 0.00 4.24 0.00 2.17 2.21 0.00 3.72 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 2.00 0.00 159 E 7.93 4.34 0.00 1.97 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 2.25 2.31 0.00 160 D 7.82 4.83 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 V 8.76 4.49 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 0.95 0.00 0.00 0.96 0.00 0.00 162 E 8.89 4.94 0.00 1.91 1.63 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 2.07 2.22 0.00 163 I 8.92 4.19 1.81 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 1.16 0.54 0.92 0.00 0.00 164 R 7.94 4.76 0.00 1.84 1.68 0.00 3.16 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 165 V 8.52 3.71 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 0.79 0.00 0.00 1.00 0.00 0.00 166 P 0.00 4.63 0.00 2.22 2.08 0.00 3.86 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 1.98 2.11 0.00 167 S 7.28 4.55 0.00 3.81 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 0.00 168 K 8.50 4.44 0.00 1.74 1.79 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.41 7.81 169 I 7.69 4.13 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.08 0.89 0.00 0.00 170 T 8.63 3.83 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 0.00 171 A 7.95 3.95 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 0.00 172 R 7.89 4.01 0.00 1.91 1.96 0.00 3.27 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 173 I 7.84 3.58 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.78 0.66 0.00 0.00 174 Q 8.21 3.93 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 175 E 8.05 3.94 0.00 2.16 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 2.26 2.33 0.00 176 V 7.80 3.68 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 1.12 0.00 0.00 0.95 0.00 0.00 177 H 8.44 4.18 0.00 3.42 3.29 0.00 5.70 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 0.00 178 L 7.95 3.88 0.00 1.76 1.80 0.94 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 179 L 7.72 3.99 0.00 1.76 1.84 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 180 A 8.15 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 0.00 181 I 8.09 3.68 2.07 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 1.44 0.67 1.07 0.00 0.00 182 H 8.33 4.38 0.00 3.43 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 C 8.49 4.24 0.00 3.17 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 0.00 184 L 8.19 4.00 0.00 1.97 1.86 0.76 1.22 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 0.00 185 C 8.35 4.13 0.00 3.04 2.99 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 0.00 186 D 8.02 4.34 0.00 2.97 2.70 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 0.00 187 L 8.06 4.02 0.00 1.78 1.71 0.95 0.91 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 I 8.00 3.66 2.06 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 1.56 0.94 0.90 0.00 0.00 189 D 8.10 4.52 0.00 2.98 2.90 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 0.00 190 R 8.30 3.94 0.00 2.12 1.93 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 191 Q 8.31 3.99 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 192 L 7.60 3.97 0.00 0.40 0.44 0.70 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 193 F 8.01 4.85 0.00 2.94 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 0.00 194 G 8.06 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 * Residues marked with a * may have inaccurate shift predictions.