NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 D 4.6155 8.3649 120.5321 53.0165 42.3125 174.7426 41 P 4.1757 0.0000 0.0000 62.2673 31.7451 174.6604 42 I 4.2257 8.8017 122.0855 60.7608 40.2086 174.7325 43 R 4.6925 8.7296 125.7641 54.3554 33.5859 174.3891 44 L 4.9972 8.5765 123.5550 53.4559 43.2327 175.8306 45 R 4.9022 9.0787 122.3934 55.2598 35.8413 173.5812 46 H 5.3818 9.2485 116.9770 53.2490 31.7094 173.6432 47 L 4.8228 8.7855 124.2638 54.4202 42.7006 175.0268 48 Y 4.6813 9.0541 126.2414 56.3124 40.7096 174.3849 49 T 4.3737 7.8217 119.5603 61.3081 71.8511 171.3619 50 S 4.8416 7.2161 115.9074 58.5040 66.0397 174.2499 51 G 3.9977 8.1447 110.3897 43.8905 0.0000 173.0917 52 P 4.2976 0.0000 0.0000 66.5596 31.3945 178.3763 *53 H 4.1839 8.1010 115.2904 55.4183 28.5320 179.8548 54 G 4.1800 8.4250 109.5959 46.3332 0.0000 176.0808 55 L 4.1841 7.6316 120.3157 56.8781 41.1971 182.9026 56 S 4.7431 7.4059 115.7450 58.0623 61.8191 176.9372 57 S 4.6597 8.2438 119.3952 57.4619 63.4877 172.3607 58 C 4.9933 8.8457 127.7179 57.6450 34.6112 172.2503 59 F 5.2926 9.0622 125.1612 55.2312 41.0760 174.7691 60 L 4.3160 9.1086 126.8410 55.5882 43.0789 175.4603 61 R 4.8765 9.1665 127.2860 54.5957 32.9068 174.4193 62 I 4.3912 8.0738 127.0203 59.6380 38.4487 176.0294 63 R 4.2140 8.8720 126.8979 55.2409 30.7983 178.1927 64 A 4.0706 8.4793 122.5704 54.9278 18.5231 178.2127 65 D 4.6459 8.1227 113.8807 53.2252 39.7258 177.6776 66 G 3.9779 8.1909 109.2675 44.7910 0.0000 174.2316 67 V 3.9533 7.8489 120.3779 62.3740 32.1712 174.8072 68 V 4.7459 8.2632 125.9127 61.1712 33.0544 173.9457 69 D 4.8224 8.5898 127.0855 52.6907 43.0816 172.9676 70 C 5.1243 8.7853 115.2956 58.8183 29.7732 173.2945 71 A 4.7840 9.1529 128.3907 50.9183 20.3949 179.1021 72 R 4.0268 8.9207 119.8792 58.9477 29.8190 175.4021 73 G 4.2640 7.6234 103.5430 44.1083 0.0000 172.1258 74 Q 3.3593 7.5738 118.4964 55.9589 28.9361 176.4538 75 S 4.4098 8.7801 115.8897 56.8915 66.6095 174.8244 76 A 3.9933 8.1908 122.0729 55.3582 18.3364 179.3352 77 H 4.4476 7.5092 112.5784 57.7464 29.4688 176.6792 78 S 4.8012 7.5792 112.0671 57.2898 63.8161 173.2196 79 L 3.8050 7.4906 124.3920 55.0937 42.5355 175.4426 80 L 5.1670 9.0927 126.9153 52.8881 45.2908 175.2637 81 E 4.8459 9.2522 123.5048 54.8571 31.5899 174.6063 82 I 4.7894 9.1174 129.3908 59.6685 39.3257 174.6581 83 K 4.9694 9.1225 129.0236 54.1354 34.9734 175.2737 84 A 4.6339 8.7295 130.2406 52.3182 19.0864 177.3380 85 V 4.2016 8.6673 115.1371 62.0349 34.1771 175.2716 86 A 4.6374 7.8040 120.1943 51.2522 22.9182 176.6948 87 L 3.0886 7.9435 114.9691 55.1957 41.9836 178.6264 88 R 4.6435 9.0173 121.6568 57.5841 31.7985 178.6273 89 T 5.1004 7.7051 116.9531 63.4644 70.4268 174.4975 90 V 5.1712 9.3460 118.0642 59.6140 36.7452 174.1069 91 A 5.2701 9.2395 123.7255 50.3200 22.0926 175.3608 92 I 4.9738 8.5742 121.5792 59.3440 40.5474 174.4138 93 K 4.7870 9.0404 128.4962 54.1343 35.5027 175.2288 94 G 3.8615 9.1732 115.4813 46.1916 0.0000 174.2014 95 V 3.5619 8.5221 127.0199 66.6628 31.4052 177.1386 96 H 4.3149 8.3589 118.5088 59.0899 29.9051 176.2844 97 S 4.2154 8.0701 111.6949 58.6804 63.4242 173.9431 98 V 3.2714 7.6862 119.6378 64.0281 30.3695 171.6834 99 R 4.7842 7.3608 115.7552 54.0683 33.2251 175.2379 100 Y 4.7158 9.1137 121.1874 57.3094 39.8762 174.6543 101 L 4.4801 9.6166 126.9168 55.4251 43.0998 175.0459 102 C 5.6305 9.6396 123.8540 55.4329 44.6875 172.5430 103 M 4.8964 9.3453 121.6933 53.8495 33.5375 175.9181 104 G 4.2199 8.8504 115.7778 44.5756 0.0000 172.2332 105 A 4.1267 8.5008 124.6916 53.7228 18.9274 177.6309 106 D 4.4780 9.6713 119.6417 54.8877 38.6084 174.8976 107 G 3.7980 7.9830 105.7868 45.0664 0.0000 173.9119 108 K 4.0448 7.9724 122.5294 56.7258 33.0116 175.9088 109 M 5.0483 8.5969 127.1885 54.9209 33.4447 175.2815 110 Q 4.5689 9.1812 119.3481 55.0853 32.8791 173.3514 111 G 4.4170 9.3607 108.0543 44.7828 0.0000 172.5527 112 L 5.0069 8.8163 126.2881 52.8263 44.0549 178.2539 113 L 4.2573 8.8268 122.2769 56.8544 42.0416 177.3212 114 Q 4.6860 7.9234 117.3896 53.9699 30.6180 174.5281 115 Y 3.9025 8.2602 124.4440 56.8836 39.7032 174.3315 116 S 4.0040 7.1343 119.9809 56.2274 65.9219 173.7255 117 E 3.5458 8.8988 126.3442 58.0640 29.3249 178.7416 118 E 3.9183 8.0001 114.3561 58.5498 29.7152 177.0752 119 D 4.8730 7.7741 116.9829 54.3016 42.5761 177.7323 120 C 4.9470 8.1810 113.6116 54.8834 41.3700 173.0081 121 A 4.7987 7.0757 121.7440 49.9537 20.7434 176.5102 122 F 5.2721 8.8133 120.2924 55.5656 43.7643 174.1571 123 E 4.7290 9.4359 122.8422 56.1048 30.4611 175.4531 124 E 4.5238 9.6782 128.4147 55.2112 30.4754 175.3580 125 E 4.7171 8.8108 125.1798 54.3769 32.9743 174.6765 126 I 4.5669 8.3882 123.3858 60.6334 39.1358 175.4462 127 R 4.5540 8.9592 128.5350 53.8684 31.9536 175.6848 128 P 4.2533 0.0000 0.0000 65.7492 31.2717 177.5870 129 D 4.5177 8.0689 114.8952 53.8059 39.4799 177.1031 130 G 3.9772 8.4165 108.7597 45.8045 0.0000 173.1052 131 Y 4.6196 8.7561 118.0093 57.0083 40.4982 174.2534 132 N 5.3329 9.4164 118.3139 51.8026 41.6961 174.2917 133 V 4.8440 8.4575 121.1441 61.3709 34.9593 173.8917 134 Y 4.9485 8.7561 124.8467 56.6312 39.9428 174.6324 135 R 5.0369 9.0522 124.4062 54.7541 33.0620 175.5234 136 S 5.1194 8.8300 117.9278 56.9317 63.7241 174.6746 137 E 3.9652 9.1471 127.3629 59.5711 29.7027 178.2214 138 K 3.9900 8.1860 117.9577 59.7684 32.1751 177.2079 139 H 4.5089 8.0202 112.2519 55.6634 29.0415 175.3128 140 R 3.9665 7.8170 117.3177 56.6129 28.3038 175.6619 141 L 4.5521 7.4490 114.0838 52.6722 46.5252 173.8697 142 P 5.0894 0.0000 0.0000 61.5002 32.8381 175.7737 143 V 3.5954 8.7868 121.9162 63.7065 32.3992 174.7737 144 S 4.9521 8.4025 119.6386 57.1722 65.3593 173.4883 145 L 4.8177 8.4438 124.0449 54.7884 42.0404 177.3554 146 S 4.4229 7.9905 115.1822 58.3958 63.5412 175.1137 147 S 4.5198 8.6549 118.7777 57.1715 65.2396 175.2683 148 A 3.9749 8.3998 123.2009 55.5258 18.0871 179.6345 149 K 4.0618 7.9719 116.2917 59.7295 32.2015 179.4926 150 Q 4.1073 8.0101 117.8813 58.5774 28.7373 178.6427 151 R 3.9698 8.0804 119.0518 58.6677 29.8898 178.3786 152 Q 4.1025 7.7133 117.8930 58.3024 29.0316 177.5644 153 L 3.9319 7.8075 119.5840 57.1230 41.5569 178.3241 154 Y 4.5682 7.8233 121.2133 59.0624 38.5003 176.8394 155 K 4.4511 8.0160 118.1254 56.7510 33.6116 177.4064 156 N 4.7233 7.6334 119.2066 55.5318 38.1473 181.2596 157 R 4.7557 7.8997 112.7121 55.9112 34.1979 175.8462 158 G 4.1208 9.4855 105.7634 46.1568 0.0000 172.6119 159 F 5.0362 7.2650 112.9381 55.3825 40.7742 172.6913 160 L 4.8600 8.4996 119.9604 52.0361 44.5393 175.3536 161 P 4.4779 0.0000 0.0000 63.5605 32.4288 175.7178 162 L 3.4740 8.6042 117.5138 55.5018 38.8618 175.5393 163 S 4.9367 7.6205 109.0830 57.0970 65.1334 174.2663 164 H 4.9785 7.7778 118.3172 54.5224 29.8310 174.2653 165 F 5.2984 9.6660 122.7727 55.5648 42.5965 174.0391 166 L 4.6968 9.0853 125.9905 52.6850 43.6351 173.6298 167 P 4.9351 0.0000 0.0000 63.0727 31.8718 175.7488 168 M 4.6151 9.5532 126.1821 53.8107 33.8723 176.2702 169 L 4.6458 8.5059 123.0453 53.6059 43.0359 175.3347 170 P 4.6409 0.0000 0.0000 63.2312 31.8214 177.1104 171 M 4.2444 8.3588 119.1496 56.5930 32.1274 176.7439 172 V 4.4238 7.1433 117.8276 59.9605 34.7352 173.1301 173 P 4.3052 0.0000 0.0000 64.0579 31.7975 175.9764 174 E 4.8138 8.0404 113.8882 55.8024 33.1631 175.8905 175 E 4.4950 8.6272 117.3905 57.3237 28.9689 175.6340 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 40 D 8.36 4.62 0.00 2.70 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 41 P 0.00 4.18 0.00 2.12 2.01 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 42 I 8.80 4.23 1.87 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 1.34 0.76 0.91 0.00 0.00 43 R 8.73 4.69 0.00 1.80 1.79 0.00 3.19 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 44 L 8.58 5.00 0.00 1.50 1.58 0.93 0.84 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 45 R 9.08 4.90 0.00 1.68 1.94 0.00 3.27 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 46 H 9.25 5.38 0.00 3.15 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.79 4.82 0.00 1.57 1.64 0.43 0.84 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 48 Y 9.05 4.68 0.00 2.51 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 49 T 7.82 4.37 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 1.01 0.00 0.00 50 S 7.22 4.84 0.00 3.60 3.48 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 51 G 8.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.14 2.13 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 *53 H 8.10 4.18 0.00 2.86 3.12 0.00 7.22 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.42 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 0.00 0.00 0.00 0.00 55 L 7.63 4.18 0.00 1.67 1.60 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.41 4.74 0.00 3.48 3.79 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 0.00 0.00 0.00 57 S 8.24 4.66 0.00 4.03 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 58 C 8.85 4.99 0.00 2.93 2.68 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 59 F 9.06 5.29 0.00 3.29 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 60 L 9.11 4.32 0.00 1.66 1.48 0.46 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 61 R 9.17 4.88 0.00 1.97 2.08 0.00 3.11 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 62 I 8.07 4.39 1.87 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 1.21 0.74 0.91 0.00 0.00 63 R 8.87 4.21 0.00 2.08 1.91 0.00 3.21 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 64 A 8.48 4.07 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 65 D 8.12 4.65 0.00 2.80 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 66 G 8.19 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.85 3.95 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 1.00 0.00 0.00 0.94 0.00 0.00 68 V 8.26 4.75 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 0.90 0.00 0.00 0.93 0.00 0.00 69 D 8.59 4.82 0.00 2.77 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 70 C 8.79 5.12 0.00 2.91 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 71 A 9.15 4.78 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 72 R 8.92 4.03 0.00 1.84 1.86 0.00 3.27 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 73 G 7.62 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 0.00 0.00 0.00 0.00 74 Q 7.57 3.36 0.00 1.62 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.67 0.00 0.00 0.00 0.00 0.00 1.40 1.37 0.00 75 S 8.78 4.41 0.00 3.62 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.19 3.99 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 77 H 7.51 4.45 0.00 3.19 3.28 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.58 4.80 0.00 4.12 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 0.00 79 L 7.49 3.81 0.00 1.83 1.68 0.78 0.50 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 80 L 9.09 5.17 0.00 1.49 1.45 0.81 0.54 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 81 E 9.25 4.85 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 82 I 9.12 4.79 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.80 0.99 0.00 0.00 83 K 9.12 4.97 0.00 1.75 1.60 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.34 7.81 84 A 8.73 4.63 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 85 V 8.67 4.20 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 0.70 0.00 0.00 1.00 0.00 0.00 86 A 7.80 4.64 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 87 L 7.94 3.09 0.00 1.69 1.46 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 88 R 9.02 4.64 0.00 1.49 1.88 0.00 3.23 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.21 0.00 89 T 7.71 5.10 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 1.33 0.00 0.00 90 V 9.35 5.17 2.26 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 0.85 0.00 0.00 1.26 0.00 0.00 91 A 9.24 5.27 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.57 4.97 1.92 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.05 0.81 0.00 0.00 93 K 9.04 4.79 0.00 1.56 1.46 0.00 1.17 0.00 0.00 0.93 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.02 0.76 7.81 94 G 9.17 3.86 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 0.00 0.00 0.00 95 V 8.52 3.56 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 0.70 0.00 0.00 0.89 0.00 0.00 96 H 8.36 4.31 0.00 3.21 3.37 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.07 4.22 0.00 4.02 4.16 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 98 V 7.69 3.27 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 0.65 0.00 0.00 0.95 0.00 0.00 99 R 7.36 4.78 0.00 1.69 1.69 0.00 3.35 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 100 Y 9.11 4.72 0.00 3.07 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 0.00 101 L 9.62 4.48 0.00 1.76 1.79 0.87 0.39 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 0.00 102 C 9.64 5.63 0.00 2.88 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 0.00 103 M 9.35 4.90 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.25 0.00 104 G 8.85 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.50 4.13 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 0.00 106 D 9.67 4.48 0.00 2.83 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 0.00 107 G 7.98 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 0.00 108 K 7.97 4.04 0.00 1.89 1.72 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.42 7.81 109 M 8.60 5.05 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 110 Q 9.18 4.57 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 111 G 9.36 4.42 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 0.00 112 L 8.82 5.01 0.00 1.68 1.62 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.83 4.26 0.00 1.69 1.79 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 7.92 4.69 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 115 Y 8.26 3.90 0.00 1.43 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 0.00 0.00 0.00 0.00 116 S 7.13 4.00 0.00 3.75 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 0.00 117 E 8.90 3.55 0.00 2.00 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 0.00 2.29 2.20 0.00 118 E 8.00 3.92 0.00 2.03 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 2.15 2.26 0.00 119 D 7.77 4.87 0.00 2.63 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 C 8.18 4.95 0.00 2.31 3.13 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 0.00 0.00 0.00 0.00 121 A 7.08 4.80 1.12 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 0.00 0.00 122 F 8.81 5.27 0.00 3.19 3.24 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 0.00 123 E 9.44 4.73 0.00 1.95 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 2.57 2.46 0.00 124 E 9.68 4.52 0.00 2.08 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 2.14 1.72 0.00 125 E 8.81 4.72 0.00 2.00 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 2.23 2.16 0.00 126 I 8.39 4.57 1.86 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 1.36 0.72 0.91 0.00 0.00 127 R 8.96 4.55 0.00 2.04 1.83 0.00 3.31 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.32 0.00 128 P 0.00 4.25 0.00 2.04 2.12 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 129 D 8.07 4.52 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 0.00 130 G 8.42 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Y 8.76 4.62 0.00 3.02 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 0.00 132 N 9.42 5.33 0.00 2.69 2.17 0.00 0.00 6.79 8.30 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 0.00 133 V 8.46 4.84 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 1.11 0.00 0.00 0.93 0.00 0.00 134 Y 8.76 4.95 0.00 2.80 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 0.00 135 R 9.05 5.04 0.00 1.85 1.92 0.00 3.27 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 136 S 8.83 5.12 0.00 4.30 4.01 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 0.00 137 E 9.15 3.97 0.00 2.01 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 2.35 2.34 0.00 138 K 8.19 3.99 0.00 1.64 1.87 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.06 1.34 7.81 139 H 8.02 4.51 0.00 3.27 3.33 0.00 5.86 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.82 3.97 0.00 2.00 2.05 0.00 3.18 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 141 L 7.45 4.55 0.00 1.41 1.19 0.81 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 5.09 0.00 2.14 2.09 0.00 3.30 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 143 V 8.79 3.60 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 0.59 0.00 0.00 -0.07 0.00 0.00 144 S 8.40 4.95 0.00 3.93 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 0.00 145 L 8.44 4.82 0.00 1.65 1.70 1.08 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 146 S 7.99 4.42 0.00 3.86 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 0.00 147 S 8.65 4.52 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.40 3.97 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 0.00 149 K 7.97 4.06 0.00 1.80 1.86 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.52 7.81 150 Q 8.01 4.11 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 151 R 8.08 3.97 0.00 2.01 1.95 0.00 3.10 0.00 0.00 3.33 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.86 0.00 152 Q 7.71 4.10 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 153 L 7.81 3.93 0.00 1.31 0.99 0.77 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.82 4.57 0.00 3.02 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 0.00 155 K 8.02 4.45 0.00 1.74 1.77 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.44 7.81 156 N 7.63 4.72 0.00 2.77 2.72 0.00 0.00 6.73 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 0.00 157 R 7.90 4.76 0.00 1.86 2.17 0.00 3.46 0.00 0.00 3.43 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 158 G 9.49 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 0.00 0.00 0.00 159 F 7.27 5.04 0.00 3.23 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 0.00 160 L 8.50 4.86 0.00 1.69 1.59 0.72 0.98 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 0.00 161 P 0.00 4.48 0.00 2.06 2.06 0.00 3.75 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.38 0.00 162 L 8.60 3.47 0.00 1.81 1.61 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 163 S 7.62 4.94 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.78 4.98 0.00 2.71 3.11 0.00 5.66 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 F 9.67 5.30 0.00 3.27 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 0.00 166 L 9.09 4.70 0.00 0.89 1.50 0.71 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 4.94 0.00 2.06 2.11 0.00 3.77 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.34 0.00 168 M 9.55 4.62 0.00 2.01 2.25 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 3.04 0.00 169 L 8.51 4.65 0.00 1.53 1.61 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 170 P 0.00 4.64 0.00 2.42 2.24 0.00 3.71 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 171 M 8.36 4.24 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.43 0.00 172 V 7.14 4.42 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 0.78 0.00 0.00 0.90 0.00 0.00 173 P 0.00 4.31 0.00 2.07 1.99 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 174 E 8.04 4.81 0.00 1.92 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.76 0.00 175 E 8.63 4.49 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.