NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 S 4.5069 8.1933 117.0994 57.1039 63.9747 174.6885 14 P 4.2858 0.0000 0.0000 64.5781 31.5481 176.9442 15 I 3.9560 7.8709 118.9075 63.0365 37.9970 177.3555 16 K 4.1523 7.6369 122.3904 58.6229 31.9959 176.8994 17 P 4.3243 0.0000 0.0000 65.5008 30.9728 178.6016 18 L 4.1034 7.8161 116.8339 57.6250 41.7274 178.9358 19 Q 4.1519 8.2265 118.3347 58.7740 28.6536 178.2796 20 E 4.0198 8.2647 120.4001 59.3864 29.5997 179.3690 21 H 4.0142 8.0307 115.7934 56.8065 29.7289 176.4871 *23 D 4.5947 8.0571 120.3875 53.7970 42.8781 177.9098 24 K 3.9285 7.9993 119.5322 59.4106 32.0954 179.0384 25 V 3.5231 8.0278 118.8851 65.9803 31.3809 177.3562 26 Y 4.0534 7.9769 118.7439 60.8857 38.5292 177.4488 27 D 4.2180 8.0835 118.5022 57.4878 40.6957 178.2504 28 C 4.1456 8.1578 118.6981 62.5663 31.6252 175.5976 29 A 3.9836 7.9583 122.2783 55.1810 17.9717 179.7125 30 S 3.9188 8.0447 114.0633 61.5078 62.7988 176.5489 31 L 4.1960 7.5130 119.8144 56.6825 41.2537 179.1542 32 L 4.2404 7.9603 119.7908 57.4436 41.3860 179.3952 33 V 3.7294 7.7786 118.3775 65.5691 31.5410 176.3549 34 P 4.4909 0.0000 0.0000 65.0798 31.0621 177.9768 35 F 4.0547 8.2629 120.5140 61.4192 39.3593 177.2251 36 F 3.9639 8.5855 117.3445 60.4160 38.3442 177.5754 37 E 3.9927 8.6948 118.4820 59.2861 29.2138 179.2761 38 A 3.8315 8.0718 121.2125 55.1805 18.4358 179.7724 39 T 2.4800 7.0035 107.8015 64.5997 68.4013 176.8184 40 I 3.7393 7.4302 121.8948 63.6193 37.0668 177.3602 41 T 4.4078 7.2806 108.5200 60.9470 68.8731 175.0811 42 G 3.8005 7.4045 107.7199 47.2721 0.0000 175.7487 43 N 4.5802 7.3928 120.0281 51.8923 35.7429 175.2555 44 W 4.0937 7.7685 124.3651 59.3443 29.8499 177.6451 45 D 4.4417 8.1743 118.7147 57.4396 40.2645 178.1125 46 D 4.3312 8.4461 118.4054 57.1180 41.1335 178.0769 47 A 3.9180 8.2062 121.7447 54.9858 18.3352 179.7448 48 V 3.6748 8.0712 116.7870 66.4347 31.6645 178.3544 49 Q 4.0607 8.0183 117.5075 59.0393 28.4288 178.8751 50 I 3.8039 8.2833 121.3600 64.2984 37.0650 178.3892 51 R 3.7093 8.5569 119.9753 59.3273 29.8206 178.7750 52 K 3.9884 8.0042 118.2922 59.3255 31.9040 179.3900 53 Q 3.9910 7.8791 118.0721 58.8457 28.6444 178.6694 54 I 3.6179 7.9404 121.0569 64.6430 37.1828 178.6865 55 S 4.1070 8.2837 116.1825 61.3766 62.4917 176.6380 56 L 3.9198 8.1052 122.9177 58.0894 41.7962 178.8797 57 A 4.1154 8.2141 120.9921 55.0968 18.1820 179.2437 58 E 3.8319 8.2581 117.9305 59.1922 29.6908 179.0129 59 K 3.9217 8.1809 119.7451 59.5482 32.2734 178.8542 60 Q 4.0811 8.4793 118.8554 58.8464 28.5786 178.9188 61 G 3.6279 8.3671 107.0821 47.9868 0.0000 175.0612 62 D 4.4133 8.3983 121.2369 57.0918 41.1554 178.6014 63 S 4.1361 8.0735 114.8114 61.3005 63.1124 176.4911 64 L 3.9911 7.9976 122.6983 57.2938 41.2586 179.2451 65 K 3.8189 8.4674 120.0424 59.4611 32.2127 178.6900 66 R 3.9182 8.3296 121.5050 60.1904 29.7969 178.9397 67 E 4.0036 7.8979 116.6113 61.0824 30.0124 180.5866 68 I 4.1234 7.7050 122.2373 63.9118 37.0278 178.8474 69 R 3.9871 8.0758 117.4600 58.6131 29.8962 178.0872 70 L 4.5195 7.4834 116.3001 54.7715 42.1500 176.9213 71 T 4.4455 7.7840 110.1370 62.6529 71.0650 174.4932 72 L 4.3177 7.7669 124.3028 55.3439 39.0029 176.3676 *74 S 4.0041 7.8380 116.0811 58.3110 64.0888 175.2064 *76 L 4.1473 8.0858 126.2342 53.2723 42.0728 172.2547 77 F 4.2430 7.9969 113.7206 58.0546 40.0114 174.0663 *79 P 4.3929 0.0000 0.0000 62.0735 32.9376 176.6186 80 V 4.4929 7.3967 117.0373 60.2235 34.8283 174.9855 81 E 4.2182 8.4658 124.2032 55.9903 31.1522 178.3828 82 R 3.9574 8.6430 122.8522 59.6859 30.2226 179.4422 83 T 3.9205 7.8455 109.0480 64.8796 68.7177 176.2217 84 D 4.3468 8.0307 121.2532 57.1472 40.8680 178.5572 85 L 3.9964 7.9151 119.3964 57.6411 41.6019 179.5802 86 L 3.9760 7.9926 119.0782 57.8555 41.6849 179.4120 87 E 3.9999 8.3838 118.6586 59.0696 29.3246 179.1408 88 L 3.9328 8.1971 120.7172 58.1658 42.1979 178.7227 89 L 3.9114 8.0820 120.3293 58.5646 41.7971 179.1295 90 T 3.8891 8.0353 115.6354 66.6279 68.1312 176.7841 91 Q 4.0234 7.8122 118.7992 59.0423 28.9288 178.3792 92 Q 4.1758 8.2807 119.1624 59.0685 28.8807 178.3555 93 D 4.4176 8.3978 119.0753 57.3148 41.1659 178.2546 94 K 3.9236 7.8940 119.1716 59.5456 32.0148 179.1889 95 I 3.6642 7.6176 119.6349 64.3622 37.0629 178.3049 96 A 3.9590 7.9093 120.9551 55.3204 18.2418 179.2162 97 N 4.2276 8.0153 114.5240 56.1613 38.4554 177.5806 98 K 3.7772 8.2560 120.9432 59.3762 32.3494 178.6440 99 A 3.9289 7.9307 121.0101 55.1222 18.3150 179.5490 100 K 3.7547 8.0902 118.0759 59.5563 32.2035 178.7970 101 D 4.1895 8.1388 119.2840 57.2995 40.7352 178.7225 102 I 3.5441 7.7989 120.7836 64.4234 37.1777 178.6327 103 S 3.5929 7.8063 115.0771 61.0927 62.4878 176.7307 104 G 3.5615 7.9845 109.2880 47.6517 0.0000 175.8902 105 R 4.0631 8.1766 121.0234 58.8502 30.1586 179.4314 106 V 4.0170 8.2490 118.0956 66.2753 31.7446 178.1037 107 I 4.0523 8.3490 119.7866 64.5253 36.7488 178.5834 108 G 3.6765 8.2967 105.6524 47.1906 0.0000 174.9036 109 R 4.1843 7.6099 116.3896 54.4981 31.7537 176.0899 110 Q 2.5200 7.3506 117.0730 55.8540 26.5956 174.6326 111 L 3.9255 8.0852 120.6197 56.1589 42.9438 176.5186 112 L 4.7580 8.4740 126.3796 52.4353 41.8390 172.7069 113 I 3.9776 8.2635 126.1722 59.0808 37.8500 174.6266 114 P 4.3047 0.0000 0.0000 62.6797 32.3005 176.6687 115 Q 4.0754 9.0700 123.0979 59.8045 28.6482 179.6523 116 A 4.1249 7.9745 118.7178 54.1762 18.7470 178.3249 117 L 4.3909 8.0241 116.6693 55.2930 42.1207 178.7076 118 Q 4.0165 7.7609 119.0604 58.9709 28.7578 178.6501 119 V 3.5697 7.7416 118.4055 65.8404 31.6364 176.2287 120 P 4.3244 0.0000 0.0000 65.2460 31.0904 178.4977 121 F 4.0636 8.4972 119.8987 61.3580 39.2935 177.2597 122 I 3.6290 7.9209 119.2634 64.2987 36.9062 178.3249 123 A 3.9510 8.0850 121.6432 55.1780 18.2213 179.0784 124 Y 3.9869 8.2414 118.3912 60.6281 38.7995 177.8827 125 L 3.3675 7.6971 121.5967 58.0409 42.0423 178.5916 126 Q 3.8711 8.0044 119.4892 59.3485 28.7184 178.4557 127 R 4.1074 7.4994 119.7134 59.0508 30.3684 177.9597 128 C 4.1687 7.8590 116.6319 62.7975 27.9778 176.1528 129 I 3.7895 7.9878 121.6834 64.3369 36.1785 178.1528 130 D 4.3868 8.3942 119.9753 57.2268 40.6953 178.6651 131 A 3.9961 7.7689 121.0379 55.1163 18.3376 179.8286 132 V 3.7184 7.8266 116.4831 66.0266 31.6234 178.2199 133 G 3.3295 8.4196 105.7643 47.6538 0.0000 175.3780 134 L 3.8719 8.1873 122.6504 57.6315 42.1071 178.8526 135 A 3.9568 7.8442 120.3485 55.2844 18.3971 179.2390 136 Q 3.8837 8.1119 118.0638 59.4451 28.9583 178.4467 137 Q 3.8859 8.1386 120.5263 59.1776 28.7182 178.4465 138 V 3.6284 8.1449 119.6666 66.1062 31.3526 178.1044 139 I 3.8088 7.7132 118.5969 64.4536 37.0719 177.8936 140 N 4.5456 8.2252 117.3924 56.1802 38.5669 177.1685 141 E 4.1805 8.6818 119.6496 58.4408 29.3911 178.8844 142 L 3.7963 7.7990 120.7320 57.6552 42.0546 178.2541 143 D 4.3859 7.8214 119.3584 57.6143 40.8133 178.4193 144 D 4.3951 7.6643 118.5037 57.4237 40.6901 178.9064 145 L 4.0851 7.2977 118.2122 57.8117 40.5811 178.3450 146 L 4.3350 7.7297 121.0211 56.1216 41.8375 177.4506 147 E 4.5701 7.5762 114.9013 55.4670 31.3045 182.8551 *151 R 4.2747 8.3455 119.7971 57.1037 30.5013 176.7170 152 G 3.7381 9.0143 111.3540 47.3798 0.0000 175.3174 153 R 4.1232 7.6592 126.0541 62.1795 29.2421 184.7180 154 E 4.2489 8.1855 116.8584 61.3736 29.5926 183.1561 155 V 3.9206 7.7516 120.3339 66.7276 31.5766 178.6064 156 D 4.3860 8.0983 120.5108 58.1867 39.4957 180.0323 157 F 4.2341 8.0741 121.1946 61.2905 39.5078 177.1876 158 V 3.7508 7.8792 116.2728 65.8512 31.6405 177.3418 159 A 4.1835 8.2334 120.7791 55.0249 18.0987 180.0995 160 K 3.9859 7.8893 114.3524 57.4074 31.8521 178.4605 *162 I 4.0480 7.6696 119.7566 61.0725 39.1860 177.6157 163 N 4.2783 8.2420 117.5190 56.5883 38.4084 177.3864 164 E 3.9585 8.3023 119.9326 59.2335 29.5145 179.2249 165 L 3.9898 7.7904 120.0234 58.0307 42.2503 178.3980 166 D 4.4041 8.3456 119.2013 57.3755 40.7268 178.8814 167 I 3.6802 7.5428 119.8572 64.5543 37.0858 178.6093 168 I 3.7930 7.7176 122.5345 65.0306 36.8274 179.0612 169 E 4.1479 8.7993 123.3991 61.0839 29.5516 181.6024 170 E 4.1905 8.2509 119.0786 61.1151 29.7678 181.2904 171 D 4.5482 7.9335 120.0253 57.4497 40.4770 179.0703 172 T 3.9899 8.1684 110.4797 64.9750 68.7740 176.2111 173 D 4.3907 8.4576 122.0368 57.0976 40.8307 178.2819 174 D 4.3070 8.0940 118.4444 57.3740 41.2842 178.2953 175 L 4.0067 8.1709 119.6427 57.7586 41.6047 179.3078 176 Q 3.3632 8.2924 119.7365 58.8654 28.9135 178.3591 177 I 3.6578 7.6210 120.6954 64.5242 37.1761 178.3954 178 Q 3.9735 7.9857 118.8820 58.8312 28.4389 178.7692 179 L 3.9031 7.8998 121.2700 58.2972 42.0871 179.3315 180 R 3.9952 8.0134 118.0266 59.0298 29.9149 179.0263 181 R 3.9826 8.2245 118.8089 59.6035 29.8836 178.6736 182 Q 4.0339 8.0437 116.7819 58.8236 28.9577 178.1318 183 L 4.0153 8.1982 121.6326 57.9036 41.9480 178.4806 184 F 4.6527 9.0140 122.2739 60.9018 39.0637 177.0984 185 A 3.9030 7.8494 117.9493 54.1728 18.3838 178.5486 186 L 4.3318 7.8642 116.3294 55.3164 41.6508 178.2910 187 E 3.9770 7.7933 120.0739 59.5585 29.2084 179.2036 188 S 4.2481 7.9609 112.2241 60.3390 63.2561 174.4948 189 E 4.4438 8.1176 120.5769 56.0267 29.9693 175.2196 190 L 4.8111 7.1863 118.4737 52.0402 45.1613 176.1341 191 N 4.5195 8.4064 118.4717 52.7831 40.3145 173.8337 192 P 4.2954 0.0000 0.0000 66.3083 31.3168 178.6090 193 V 3.7841 8.0880 117.0608 65.7706 31.7585 177.4183 194 D 4.6293 8.2687 118.3044 57.1883 40.6734 179.1862 195 V 3.5898 7.7577 115.3191 63.7891 31.2836 177.2097 *197 F 4.6004 8.0539 121.4086 57.6867 41.3932 177.0485 198 L 3.8344 8.0801 120.6054 57.8781 41.3269 178.9486 199 Y 4.0746 7.7635 116.5665 61.0335 37.8008 178.8337 200 K 3.4333 7.7219 118.7796 59.4743 31.9335 179.3352 201 T 3.7528 7.1822 115.7974 66.6413 68.3591 176.6890 202 I 3.9863 7.7013 121.7060 64.4132 37.1117 178.1503 203 E 3.9596 8.1414 120.0337 59.1452 29.3025 178.8607 204 W 4.4978 8.1994 118.0673 59.8543 29.5236 178.3019 205 V 3.9113 8.4513 118.4848 66.1005 31.0026 178.1628 206 G 3.8931 8.3741 105.5667 47.9617 0.0000 175.6887 207 G 3.7957 8.2794 107.7677 47.5421 0.0000 175.6285 208 L 3.9917 7.8411 120.7543 57.8490 41.6987 179.5267 209 A 4.0146 7.9097 120.0276 55.2071 18.2501 179.2146 210 D 4.3561 8.0526 117.4414 57.5761 40.7324 179.0712 211 L 4.0294 8.4092 119.6913 57.5916 41.4962 179.3685 212 A 4.0159 8.1080 120.9818 55.0186 18.3056 179.2415 213 E 3.9119 8.3062 117.9519 59.5679 29.6901 179.3499 214 R 4.0000 7.7680 118.2489 58.8384 30.0136 179.2728 215 V 3.6795 7.5631 118.5984 65.9722 31.6152 178.2096 216 G 3.7091 7.8854 105.2468 48.0085 0.0000 175.7008 217 S 4.1695 8.1952 117.4355 61.4248 62.6444 176.7917 218 R 3.9337 7.8373 120.1920 59.4218 29.8759 178.2344 219 L 4.1523 7.7764 118.0077 57.7643 42.0361 178.7913 220 E 4.2034 8.3349 119.3386 58.9201 29.6064 179.1065 221 L 4.3438 7.8923 118.0533 55.0516 41.2489 178.9118 *223 L 4.2237 8.0390 120.8130 54.7199 43.5535 178.9222 224 A 4.1446 7.6731 119.6456 54.2521 18.4145 178.4174 225 R 4.0439 7.3960 115.2977 57.0191 30.4943 177.8106 *226 V 3.8218 7.2032 120.0561 60.9731 33.2112 175.6144 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 13 S 8.19 4.51 0.00 3.67 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 14 P 0.00 4.29 0.00 2.11 2.15 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 15 I 7.87 3.96 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 1.52 0.62 0.91 0.00 0.00 16 K 7.64 4.15 0.00 2.00 1.90 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.23 7.81 17 P 0.00 4.32 0.00 2.20 2.09 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 18 L 7.82 4.10 0.00 1.76 1.74 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.23 4.15 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 20 E 8.26 4.02 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 21 H 8.03 4.01 0.00 3.26 3.40 0.00 5.67 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *23 D 8.06 4.59 0.00 2.97 2.78 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 0.00 0.00 0.00 0.00 24 K 8.00 3.93 0.00 1.88 1.94 0.00 1.64 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.45 7.81 25 V 8.03 3.52 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 1.04 0.00 0.00 0.85 0.00 0.00 26 Y 7.98 4.05 0.00 3.11 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 27 D 8.08 4.22 0.00 2.86 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 28 C 8.16 4.15 0.00 3.04 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.96 3.98 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 30 S 8.04 3.92 0.00 3.67 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 31 L 7.51 4.20 0.00 1.86 1.70 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.96 4.24 0.00 1.92 2.05 1.01 0.80 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 33 V 7.78 3.73 2.11 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 1.18 0.00 0.00 1.00 0.00 0.00 34 P 0.00 4.49 0.00 2.33 2.32 0.00 4.09 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.90 0.00 35 F 8.26 4.05 0.00 3.18 3.28 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 36 F 8.59 3.96 0.00 3.40 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.69 3.99 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 2.36 2.48 0.00 38 A 8.07 3.83 1.18 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 0.00 0.00 39 T 7.00 2.48 3.36 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 0.06 0.00 0.00 40 I 7.43 3.74 1.97 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.61 0.92 0.00 0.00 41 T 7.28 4.41 4.17 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 1.21 0.00 0.00 42 G 7.40 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 43 N 7.39 4.58 0.00 2.64 2.62 0.00 0.00 7.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 W 7.77 4.09 0.00 3.47 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 45 D 8.17 4.44 0.00 2.79 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 46 D 8.45 4.33 0.00 2.88 2.70 0.00 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124 Y 8.24 3.99 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.70 3.37 0.00 1.03 1.51 0.83 0.81 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 0.00 126 Q 8.00 3.87 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 127 R 7.50 4.11 0.00 2.00 1.86 0.00 3.38 0.00 0.00 3.07 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 128 C 7.86 4.17 0.00 2.85 2.77 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 0.00 129 I 7.99 3.79 2.05 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 0.55 0.90 0.00 0.00 130 D 8.39 4.39 0.00 2.89 2.72 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 0.00 131 A 7.77 4.00 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 0.00 132 V 7.83 3.72 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 1.22 0.00 0.00 0.96 0.00 0.00 133 G 8.42 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 0.00 0.00 0.00 0.00 134 L 8.19 3.87 0.00 1.72 1.83 0.88 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 135 A 7.84 3.96 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 0.00 136 Q 8.11 3.88 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 137 Q 8.14 3.89 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 138 V 8.14 3.63 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 1.11 0.00 0.00 0.86 0.00 0.00 139 I 7.71 3.81 1.89 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 0.66 0.94 0.00 0.00 140 N 8.23 4.55 0.00 2.76 2.86 0.00 0.00 7.01 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 0.00 141 E 8.68 4.18 0.00 2.23 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 2.39 2.48 0.00 142 L 7.80 3.80 0.00 1.99 1.78 0.61 1.06 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 0.00 143 D 7.82 4.39 0.00 2.85 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 0.00 144 D 7.66 4.40 0.00 3.14 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 0.00 145 L 7.30 4.09 0.00 1.80 1.51 0.92 0.95 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 0.00 146 L 7.73 4.34 0.00 2.05 1.72 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 147 E 7.58 4.57 0.00 1.99 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 2.16 2.08 0.00 *151 R 8.35 4.27 0.00 1.94 1.72 0.00 3.26 0.00 0.00 3.34 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.21 0.00 152 G 9.01 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 0.00 0.00 0.00 153 R 7.66 4.12 0.00 1.95 1.97 0.00 3.28 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 154 E 8.19 4.25 0.00 1.97 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 2.31 1.94 0.00 155 V 7.75 3.92 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 1.01 0.00 0.00 0.95 0.00 0.00 156 D 8.10 4.39 0.00 2.72 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 0.00 157 F 8.07 4.23 0.00 3.01 3.28 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 0.00 158 V 7.88 3.75 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.11 0.00 0.00 159 A 8.23 4.18 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 0.00 160 K 7.89 3.99 0.00 1.84 1.81 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.39 7.81 *162 I 7.67 4.05 2.00 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 1.41 0.50 0.90 0.00 0.00 163 N 8.24 4.28 0.00 2.88 2.84 0.00 0.00 7.10 7.28 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 0.00 164 E 8.30 3.96 0.00 1.93 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 2.41 0.00 165 L 7.79 3.99 0.00 1.72 1.78 0.91 1.26 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 0.00 166 D 8.35 4.40 0.00 2.88 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 0.00 167 I 7.54 3.68 2.01 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 1.11 0.90 0.00 0.00 168 I 7.72 3.79 1.86 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 1.37 0.78 0.90 0.00 0.00 169 E 8.80 4.15 0.00 1.92 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 2.24 2.05 0.00 170 E 8.25 4.19 0.00 1.99 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 2.24 2.22 0.00 171 D 7.93 4.55 0.00 2.83 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 0.00 172 T 8.17 3.99 4.34 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 1.24 0.00 0.00 173 D 8.46 4.39 0.00 2.89 2.77 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 0.00 174 D 8.09 4.31 0.00 2.87 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 0.00 175 L 8.17 4.01 0.00 2.02 1.77 1.02 0.70 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 0.00 176 Q 8.29 3.36 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.18 1.95 0.00 177 I 7.62 3.66 2.00 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 1.49 0.51 0.89 0.00 0.00 178 Q 7.99 3.97 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 179 L 7.90 3.90 0.00 1.78 1.59 0.99 0.59 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 0.00 180 R 8.01 4.00 0.00 1.92 2.09 0.00 3.16 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.74 0.00 181 R 8.22 3.98 0.00 1.93 2.19 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 182 Q 8.04 4.03 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 183 L 8.20 4.02 0.00 1.55 1.64 0.75 -0.30 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 0.00 184 F 9.01 4.65 0.00 3.26 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 0.00 185 A 7.85 3.90 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 0.00 186 L 7.86 4.33 0.00 1.87 1.67 0.92 0.70 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 0.00 187 E 7.79 3.98 0.00 1.87 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 188 S 7.96 4.25 0.00 3.97 3.92 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 0.00 0.00 0.00 189 E 8.12 4.44 0.00 2.03 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 2.24 2.22 0.00 190 L 7.19 4.81 0.00 1.54 1.54 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 191 N 8.41 4.52 0.00 2.75 2.86 0.00 0.00 6.61 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 0.00 192 P 0.00 4.30 0.00 2.29 2.21 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 193 V 8.09 3.78 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.95 0.00 0.00 194 D 8.27 4.63 0.00 2.92 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 0.00 195 V 7.76 3.59 2.34 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 1.17 0.00 0.00 0.98 0.00 0.00 *197 F 8.05 4.60 0.00 3.21 3.27 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 0.00 198 L 8.08 3.83 0.00 1.70 1.43 0.84 0.53 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 0.00 199 Y 7.76 4.07 0.00 2.96 2.85 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 0.00 200 K 7.72 3.43 0.00 1.16 0.74 0.00 1.18 0.00 0.00 1.28 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.28 1.25 7.81 201 T 7.18 3.75 4.21 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 1.49 0.00 0.00 202 I 7.70 3.99 2.05 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.80 0.78 0.00 0.00 203 E 8.14 3.96 0.00 1.99 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 2.36 2.37 0.00 204 W 8.20 4.50 0.00 3.62 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 0.00 205 V 8.45 3.91 2.28 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 0.51 0.00 0.00 1.11 0.00 0.00 206 G 8.37 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 0.00 207 G 8.28 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 0.00 208 L 7.84 3.99 0.00 1.86 1.73 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 209 A 7.91 4.01 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 0.00 210 D 8.05 4.36 0.00 2.94 2.76 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 0.00 211 L 8.41 4.03 0.00 1.83 1.73 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 212 A 8.11 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 E 8.31 3.91 0.00 2.07 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 2.32 2.36 0.00 214 R 7.77 4.00 0.00 2.03 1.98 0.00 3.20 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 215 V 7.56 3.68 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 1.04 0.00 0.00 1.00 0.00 0.00 216 G 7.89 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 0.00 217 S 8.20 4.17 0.00 4.06 3.94 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 0.00 218 R 7.84 3.93 0.00 1.82 2.14 0.00 3.47 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 219 L 7.78 4.15 0.00 1.95 1.81 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 220 E 8.33 4.20 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 221 L 7.89 4.34 0.00 1.93 1.67 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 *223 L 8.04 4.22 0.00 1.74 1.74 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 224 A 7.67 4.14 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 0.00 225 R 7.40 4.04 0.00 1.95 1.99 0.00 3.14 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 *226 V 7.20 3.82 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 0.61 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.