NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 D 4.4763 8.3644 120.5308 54.7566 41.9170 174.3626 19 S 3.4966 8.7154 110.7299 59.2320 59.9336 170.3323 20 I 4.9860 7.4124 124.3253 57.8091 41.1061 174.4019 *22 K 4.3177 8.4422 121.5696 58.0819 33.1192 175.7529 23 I 4.3450 8.6746 127.4105 60.4449 40.0651 175.0164 24 L 4.6155 7.9654 123.8780 54.9902 44.5190 174.1474 25 L 4.6624 8.4623 127.1882 54.2027 43.6821 175.9965 26 I 4.7087 8.1097 120.5526 60.2632 41.9165 175.4844 27 G 3.3461 8.3501 114.6227 45.8920 0.0000 173.4433 28 D 4.3946 8.0171 119.5073 54.4771 41.4508 176.2656 29 S 4.6716 8.6212 119.0753 57.1431 63.2102 175.0788 30 G 3.9141 8.5031 114.7621 45.5866 0.0000 172.1675 31 V 3.8657 7.7980 114.0555 63.4529 31.2695 177.3395 32 G 3.8756 8.0267 105.7013 46.9568 0.0000 175.2637 33 K 4.5006 8.0790 119.7328 57.2746 33.8942 178.5096 34 S 5.2454 8.8492 116.4877 60.7655 62.2427 176.1002 35 C 4.3635 7.9428 113.4317 58.8827 29.3964 174.6337 36 L 3.9947 8.4667 124.7856 58.8422 41.3328 178.8412 37 L 4.3029 7.8555 118.4627 57.0748 41.5720 179.3116 38 V 3.0978 7.6092 117.1612 65.6061 31.5181 177.9141 39 R 4.0997 8.7801 118.3263 59.1274 30.2146 178.3647 40 F 4.2719 8.3005 119.5415 59.4183 39.6723 175.2407 41 V 3.9486 7.8108 118.5915 60.8606 32.9298 175.1628 42 E 3.8988 8.6158 127.2148 58.8522 29.8897 176.0276 43 D 4.0289 7.5464 117.7005 54.3791 40.3236 176.8611 44 K 4.0624 7.7258 123.3043 57.0421 32.6137 177.5526 45 F 4.7660 7.1256 116.1311 57.5721 39.4099 175.2447 46 N 4.5844 7.8369 119.7897 51.5833 38.5973 173.3496 47 P 4.2107 0.0000 0.0000 62.4668 32.0556 175.8554 48 S 4.4153 7.8313 112.8306 56.6585 63.8570 173.5266 49 F 4.6274 10.5511 128.4550 58.8019 39.3636 178.2589 50 I 4.3059 8.2115 112.9556 63.4901 36.6057 176.7626 51 T 3.8966 7.5634 117.1264 66.9694 68.2467 175.5157 52 T 4.0879 7.3232 113.5755 64.5397 70.0834 174.8320 53 I 4.1549 8.3375 124.1244 60.1250 37.7650 177.5011 54 G 4.0679 8.9542 110.3635 48.1088 0.0000 172.4047 55 I 5.3704 7.6597 112.4430 59.7332 41.4195 173.5650 56 D 4.9092 8.8124 118.9260 53.6076 45.0970 174.1123 57 F 5.1516 9.0198 124.6913 56.5429 41.0728 173.6161 58 K 4.3736 8.2146 125.0133 54.4834 35.7464 175.2912 59 I 4.8841 7.4742 120.5529 59.9879 40.7631 174.3526 60 K 4.5806 8.5664 126.3784 54.8415 36.5229 174.4117 61 T 4.6673 8.1188 118.0119 61.6775 71.1359 173.8268 62 V 4.4688 7.9329 123.5759 62.4308 34.6672 174.1743 63 D 4.4548 8.1187 120.0472 53.3855 41.7073 174.0940 *70 K 4.0310 7.8772 125.0855 55.9818 33.1556 174.9394 71 L 4.5675 7.8230 121.5883 53.5174 44.9623 174.5370 72 Q 4.0866 8.5806 123.5350 55.7364 30.0557 175.2455 73 L 5.0214 8.4106 124.1914 52.6866 44.4233 175.9903 74 W 5.1428 8.4814 124.4866 55.7696 29.9301 175.0784 75 D 4.9486 9.0748 126.1434 53.7296 42.2995 175.3628 76 T 4.9872 8.8987 121.1232 61.6681 72.8846 173.9729 77 A 4.5092 8.1553 125.1719 51.5178 19.5179 176.9341 78 G 3.9462 8.3132 109.3872 47.6804 0.0000 176.1320 79 Q 4.3380 7.7778 123.9255 53.2127 27.4330 173.8021 80 E 4.4598 8.5543 117.2441 56.3867 33.1371 178.1542 81 R 3.3127 7.3726 123.2524 58.3882 31.6363 179.2944 82 F 4.7737 6.1960 118.3234 56.8546 38.7985 178.1444 83 R 4.1241 8.5747 122.4551 58.9744 29.9087 178.2965 84 T 4.0551 7.7034 114.8180 64.7225 68.7676 175.6300 85 I 3.8848 7.1423 121.4679 63.2205 38.0842 177.4872 86 T 2.5244 7.6807 111.1395 64.6814 68.2734 176.2435 87 T 4.1058 7.6196 112.0530 64.7944 68.5016 176.2786 88 A 4.0928 7.6809 123.6055 54.6535 17.9788 179.2831 89 Y 4.2734 7.1388 114.9157 61.3386 38.0139 177.3658 90 Y 4.5415 7.5576 117.7766 60.8910 38.8039 178.6617 91 R 4.4592 7.6943 119.5997 54.6394 28.4867 177.0366 92 G 4.9530 7.8208 118.5426 46.8179 0.0000 172.0510 93 A 4.1750 7.4095 122.4334 52.3813 17.1916 176.0234 *95 G 4.2877 8.2149 103.5964 47.8644 0.0000 172.2571 96 I 4.9746 7.6420 116.9867 61.1811 41.8426 173.7990 97 I 4.9578 8.4080 127.2422 59.4641 40.4476 174.1965 98 L 4.8886 9.2511 127.2959 53.2798 43.5538 175.8664 99 V 5.5486 8.5946 122.6715 60.5854 34.6817 173.7155 100 Y 5.1054 7.7087 120.1362 55.9616 41.3358 173.2277 101 D 4.8355 8.7457 120.0636 53.4074 42.8890 176.8918 102 V 4.0662 8.6061 125.3865 66.5378 31.8668 178.3878 103 T 4.0833 7.9171 108.6031 62.8213 66.9672 173.3685 104 D 4.5913 8.8549 121.1807 52.1760 43.6497 175.8350 105 E 4.2242 8.7855 123.8806 57.4402 29.7060 178.7178 106 R 4.0556 7.6375 119.6551 59.4845 30.3225 178.0125 107 T 4.0385 8.0447 109.1678 65.0562 68.4596 175.3027 108 F 3.5903 8.3426 123.5798 61.2539 38.8544 176.8859 109 T 3.9469 7.7483 114.8893 66.9546 68.2106 176.1837 110 N 3.7081 8.2980 117.9780 56.4902 38.5146 177.7032 111 I 3.8944 7.2756 121.2172 64.2124 36.9244 177.4359 112 K 3.8349 7.1991 118.6757 59.9723 32.2309 178.1352 113 Q 4.0768 7.7787 117.2072 58.8500 28.6595 178.4210 114 W 5.0747 7.9999 120.1947 60.5533 28.9710 178.1588 115 F 4.4472 8.3278 118.9448 61.5584 38.9148 177.0316 116 K 3.8412 8.1150 118.0228 59.5446 31.9318 179.4232 117 T 3.8246 7.7735 115.3821 66.7881 68.1085 176.6077 118 V 3.2322 7.7036 119.9175 66.5236 31.0848 176.5323 119 N 4.4969 7.4988 116.4250 54.9522 38.0283 175.7945 120 E 3.9510 7.9987 124.0135 60.2637 30.0058 178.4416 121 H 4.3170 6.9947 114.0542 58.2869 29.5389 178.9255 122 A 4.4205 7.1985 124.8800 51.9596 19.2847 175.5456 123 N 5.0243 8.6311 111.3236 52.0529 40.8710 175.0589 124 D 4.6482 8.7147 121.6991 55.0448 41.4205 176.9039 125 E 4.2150 8.0295 116.7069 57.4288 30.5413 176.5449 126 A 4.2784 7.2946 122.0074 50.8082 19.7774 176.3167 127 Q 3.9415 8.7193 122.8987 57.1365 29.9973 176.1276 128 L 5.0097 8.2091 128.5436 54.0203 44.6326 174.6408 129 L 4.4211 7.9398 118.5976 54.1823 46.2974 172.6284 130 L 5.2605 7.7841 127.0682 53.4571 45.4984 175.4937 131 V 4.0001 9.1237 125.0682 63.4330 34.9618 172.6328 132 G 2.0000 8.5936 118.5511 46.5468 0.0000 173.2545 *145 D 4.5335 8.5492 116.5620 53.8854 43.5087 176.1022 146 Q 4.4734 8.2686 117.2474 57.7221 30.0818 176.5949 147 G 3.4882 8.3604 106.1971 47.9513 0.0000 174.3898 148 E 3.6805 8.4415 120.5454 60.0332 28.9430 177.4544 149 A 3.9600 8.9795 121.1618 55.3402 17.9989 178.6046 150 L 4.3630 8.0703 121.4617 55.3333 42.5019 179.3232 151 A 3.8565 7.5628 121.7802 54.9706 18.2344 179.1894 152 K 4.3294 7.7250 113.1954 57.2432 32.4989 178.0618 153 E 4.4225 7.5085 118.0417 56.3860 29.4519 176.8916 154 L 4.4512 7.0194 115.5107 52.8815 44.2834 176.2257 155 G 3.9066 8.1078 106.4264 45.6690 0.0000 173.3033 156 I 4.4758 6.9761 116.3943 58.9784 40.8980 173.6610 157 P 4.5830 0.0000 0.0000 63.7628 32.3855 174.1674 158 F 5.3911 8.0742 117.6055 59.0544 41.7525 173.6407 159 I 4.1192 6.5642 123.6227 60.4584 40.7830 173.0424 160 E 4.4517 8.1890 122.2252 55.4763 34.0451 176.0754 161 S 4.4626 8.2260 115.5784 57.7475 61.9941 174.5452 162 S 3.8422 7.6800 115.6001 58.2486 63.0720 175.0577 163 A 3.4224 8.6135 124.7896 52.8168 16.6958 177.8141 *168 N 4.6644 8.1226 121.9870 52.8052 40.4556 176.4012 169 V 3.6692 5.4500 116.2929 66.1714 31.7630 175.3708 170 N 4.8234 8.3857 115.7047 56.2102 38.4013 176.2071 171 E 4.4998 7.9742 118.5372 57.5334 29.6952 178.4865 172 I 3.7516 8.1210 120.3942 63.8607 37.3937 177.5047 173 F 4.0945 8.3106 117.4819 58.8296 38.9700 177.7267 174 F 4.2786 7.7224 117.7665 62.2478 39.2857 176.2420 175 T 3.7940 8.5730 114.7310 65.6685 67.8904 176.2090 176 L 3.6061 7.6822 121.4743 58.4123 43.0261 178.8056 177 A 3.9264 8.1344 120.4549 55.4079 18.5039 179.3658 178 K 3.5825 7.9796 118.0439 59.8072 31.8939 178.8779 179 L 4.0513 7.6406 117.9676 57.5359 41.6502 179.0409 180 I 3.8043 7.9814 119.5993 64.2462 37.2416 177.7044 181 Q 4.1756 8.2181 120.3231 58.1676 28.8813 176.3534 182 E 4.1715 7.7576 119.7726 56.6110 30.3900 177.4861 183 K 4.5161 7.8517 116.3630 56.7697 35.2091 177.7842 184 I 4.2759 7.7593 118.2063 61.4611 36.7066 176.2801 185 D 4.6445 7.6561 120.4595 54.1261 39.9458 176.6088 186 S 4.2052 7.6756 119.5692 58.6267 63.1975 173.5990 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 18 D 8.36 4.48 0.00 2.69 2.65 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 19 S 8.72 3.50 0.00 4.07 3.87 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 0.00 0.00 0.00 20 I 7.41 4.99 1.88 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 1.09 1.42 0.87 0.00 0.00 *22 K 8.44 4.32 0.00 1.82 1.93 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.54 7.81 23 I 8.67 4.34 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.21 0.94 0.00 0.00 24 L 7.97 4.62 0.00 1.94 1.59 0.97 0.55 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 25 L 8.46 4.66 0.00 1.88 1.56 1.13 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.11 4.71 1.83 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.45 0.89 0.00 0.00 27 G 8.35 3.35 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 0.00 28 D 8.02 4.39 0.00 2.87 2.65 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 29 S 8.62 4.67 0.00 3.93 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 30 G 8.50 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 31 V 7.80 3.87 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 1.07 0.00 0.00 0.96 0.00 0.00 32 G 8.03 3.88 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 0.00 0.00 0.00 33 K 8.08 4.50 0.00 1.99 1.83 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.59 7.81 34 S 8.85 5.25 0.00 4.06 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 0.00 35 C 7.94 4.36 0.00 3.13 3.22 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 36 L 8.47 3.99 0.00 2.10 1.83 1.03 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.86 4.30 0.00 1.67 1.69 0.98 1.00 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 38 V 7.61 3.10 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 0.83 0.00 0.00 0.92 0.00 0.00 39 R 8.78 4.10 0.00 1.88 2.03 0.00 3.27 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 1.79 0.00 40 F 8.30 4.27 0.00 2.29 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 41 V 7.81 3.95 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 0.61 0.00 0.00 0.80 0.00 0.00 42 E 8.62 3.90 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 2.16 2.25 0.00 43 D 7.55 4.03 0.00 2.56 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.73 4.06 0.00 1.13 1.64 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.31 7.81 45 F 7.13 4.77 0.00 3.04 2.95 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 46 N 7.84 4.58 0.00 2.79 2.72 0.00 0.00 7.01 8.02 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 47 P 0.00 4.21 0.00 1.36 1.84 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.97 0.00 48 S 7.83 4.42 0.00 3.73 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 49 F 10.55 4.63 0.00 3.51 3.11 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 50 I 8.21 4.31 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 1.13 0.00 0.00 51 T 7.56 3.90 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 1.25 0.00 0.00 52 T 7.32 4.09 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 1.28 0.00 0.00 53 I 8.34 4.15 2.19 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.17 1.21 0.00 0.00 54 G 8.95 4.07 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 0.00 55 I 7.66 5.37 2.18 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 0.89 1.05 0.00 0.00 56 D 8.81 4.91 0.00 3.01 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 57 F 9.02 5.15 0.00 3.08 2.95 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 58 K 8.21 4.37 0.00 1.56 1.51 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.27 1.44 7.81 59 I 7.47 4.88 1.53 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.24 0.75 0.00 0.00 60 K 8.57 4.58 0.00 1.47 1.36 0.00 0.91 0.00 0.00 0.61 0.00 0.00 2.43 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.08 1.12 7.81 61 T 8.12 4.67 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 1.18 0.00 0.00 62 V 7.93 4.47 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 0.87 0.00 0.00 0.94 0.00 0.00 63 D 8.12 4.45 0.00 2.65 2.54 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 *70 K 7.88 4.03 0.00 1.83 1.69 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.42 7.81 71 L 7.82 4.57 0.00 1.69 1.60 0.98 1.08 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 72 Q 8.58 4.09 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 73 L 8.41 5.02 0.00 1.61 1.60 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 74 W 8.48 5.14 0.00 3.03 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 75 D 9.07 4.95 0.00 2.86 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 76 T 8.90 4.99 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 1.18 0.00 0.00 77 A 8.16 4.51 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 78 G 8.31 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 0.00 0.00 0.00 79 Q 7.78 4.34 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.54 2.67 0.00 80 E 8.55 4.46 0.00 1.98 1.73 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 2.37 2.01 0.00 81 R 7.37 3.31 0.00 1.60 1.84 0.00 2.70 0.00 0.00 3.05 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.50 0.00 82 F 6.20 4.77 0.00 3.02 2.95 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 83 R 8.57 4.12 0.00 1.77 1.96 0.00 3.15 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.51 0.00 84 T 7.70 4.06 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 1.16 0.00 0.00 85 I 7.14 3.88 1.73 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.91 0.23 0.00 0.00 86 T 7.68 2.52 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 1.14 0.00 0.00 87 T 7.62 4.11 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 1.28 0.00 0.00 88 A 7.68 4.09 1.23 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 0.00 0.00 89 Y 7.14 4.27 0.00 2.70 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 90 Y 7.56 4.54 0.00 3.26 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 91 R 7.69 4.46 0.00 1.83 1.95 0.00 3.49 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 92 G 7.82 4.95 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 0.00 0.00 0.00 93 A 7.41 4.18 1.44 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 0.00 0.00 0.00 *95 G 8.21 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 0.00 0.00 0.00 0.00 96 I 7.64 4.97 1.96 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 1.50 1.60 1.04 0.00 0.00 97 I 8.41 4.96 1.76 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.24 0.75 0.00 0.00 98 L 9.25 4.89 0.00 1.65 1.75 1.17 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.59 5.55 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 0.76 0.00 0.00 0.88 0.00 0.00 100 Y 7.71 5.11 0.00 3.13 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 0.00 101 D 8.75 4.84 0.00 2.84 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 0.00 102 V 8.61 4.07 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 1.06 0.00 0.00 1.15 0.00 0.00 103 T 7.92 4.08 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 1.32 0.00 0.00 104 D 8.85 4.59 0.00 2.75 2.59 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 0.00 0.00 0.00 0.00 105 E 8.79 4.22 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 106 R 7.64 4.06 0.00 2.02 1.96 0.00 3.14 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 107 T 8.04 4.04 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 108 F 8.34 3.59 0.00 2.82 3.02 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 0.00 109 T 7.75 3.95 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 1.17 0.00 0.00 110 N 8.30 3.71 0.00 2.81 1.42 0.00 0.00 7.02 6.81 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 0.00 111 I 7.28 3.89 1.90 0.00 0.00 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 1.67 1.10 0.97 0.00 0.00 112 K 7.20 3.83 0.00 1.80 1.97 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.56 7.81 113 Q 7.78 4.08 0.00 1.66 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 114 W 8.00 5.07 0.00 3.61 3.21 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 0.00 115 F 8.33 4.45 0.00 3.03 3.34 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 0.00 116 K 8.11 3.84 0.00 1.99 1.78 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.83 1.62 7.81 117 T 7.77 3.82 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 1.21 0.00 0.00 118 V 7.70 3.23 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 1.09 0.00 0.00 1.14 0.00 0.00 119 N 7.50 4.50 0.00 2.63 2.46 0.00 0.00 7.00 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.00 3.95 0.00 1.72 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 121 H 6.99 4.32 0.00 2.98 3.22 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.20 4.42 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 0.00 123 N 8.63 5.02 0.00 2.81 3.13 0.00 0.00 6.88 8.08 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 0.00 124 D 8.71 4.65 0.00 2.67 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 0.00 125 E 8.03 4.22 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 126 A 7.29 4.28 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 0.00 127 Q 8.72 3.94 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 128 L 8.21 5.01 0.00 1.78 1.62 1.25 1.10 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 0.00 129 L 7.94 4.42 0.00 1.70 1.52 0.77 0.52 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 0.00 130 L 7.78 5.26 0.00 1.91 1.52 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 9.12 4.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.73 0.00 0.00 132 G 8.59 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 0.00 0.00 0.00 0.00 0.00 0.00 *145 D 8.55 4.53 0.00 2.71 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 0.00 146 Q 8.27 4.47 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 147 G 8.36 3.49 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 0.00 148 E 8.44 3.68 0.00 2.18 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 2.43 2.47 0.00 149 A 8.98 3.96 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 0.00 150 L 8.07 4.36 0.00 1.61 1.70 1.19 1.08 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 0.00 151 A 7.56 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 K 7.72 4.33 0.00 1.72 1.83 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.70 7.81 153 E 7.51 4.42 0.00 2.15 1.93 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 2.27 2.49 0.00 154 L 7.02 4.45 0.00 1.32 0.99 0.56 0.55 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 0.00 155 G 8.11 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 0.00 156 I 6.98 4.48 1.77 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.51 0.92 0.00 0.00 157 P 0.00 4.58 0.00 2.11 2.23 0.00 3.72 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 2.06 1.96 0.00 158 F 8.07 5.39 0.00 2.91 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 0.00 159 I 6.56 4.12 1.54 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.48 0.74 0.00 0.00 160 E 8.19 4.45 0.00 1.79 1.76 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 2.15 2.13 0.00 161 S 8.23 4.46 0.00 3.88 3.84 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 0.00 162 S 7.68 3.84 0.00 3.98 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 0.00 163 A 8.61 3.42 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 *168 N 8.12 4.66 0.00 2.76 2.55 0.00 0.00 6.69 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 0.00 169 V 5.45 3.67 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 1.11 0.00 0.00 0.96 0.00 0.00 170 N 8.39 4.82 0.00 2.81 2.93 0.00 0.00 7.09 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 0.00 171 E 7.97 4.50 0.00 2.20 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 2.22 2.19 0.00 172 I 8.12 3.75 1.97 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.73 0.53 0.00 0.00 173 F 8.31 4.09 0.00 2.68 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 0.00 174 F 7.72 4.28 0.00 3.24 3.31 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 0.00 175 T 8.57 3.79 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 1.18 0.00 0.00 176 L 7.68 3.61 0.00 1.61 1.51 0.87 0.91 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 0.00 177 A 8.13 3.93 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 K 7.98 3.58 0.00 1.37 1.78 0.00 1.31 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.25 7.81 179 L 7.64 4.05 0.00 1.70 1.68 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 180 I 7.98 3.80 2.02 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 1.40 0.76 0.91 0.00 0.00 181 Q 8.22 4.18 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.18 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 182 E 7.76 4.17 0.00 2.13 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 2.31 2.33 0.00 183 K 7.85 4.52 0.00 1.97 1.76 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.76 1.37 7.81 184 I 7.76 4.28 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 1.36 0.49 0.91 0.00 0.00 185 D 7.66 4.64 0.00 2.76 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 0.00 186 S 7.68 4.21 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.