NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 54 R 4.3730 8.2549 119.0698 56.3208 29.9624 174.4951 55 I 3.6730 8.0813 125.7615 61.5850 37.6723 174.4962 56 Y 4.7121 7.3804 118.8727 55.3946 38.7796 174.1786 57 P 4.3494 0.0000 0.0000 65.7827 31.6640 178.5853 58 K 4.1232 8.0197 115.8540 56.8225 32.5395 177.2995 59 G 3.6502 7.8483 104.7923 42.6663 0.0000 170.8381 60 P 3.9373 0.0000 0.0000 63.3139 32.0862 175.5651 61 L 4.5304 8.5081 126.6181 53.0244 43.7859 175.2483 62 L 3.2690 8.3883 129.0715 55.2622 41.8142 176.2855 63 V 4.3050 8.3648 125.4757 63.1136 34.3529 175.7317 64 L 4.8593 7.4905 118.7107 51.7109 45.6399 175.3078 65 P 4.3555 0.0000 0.0000 65.9128 31.0878 177.3127 66 E 4.1120 8.1222 115.3585 56.3267 29.7556 176.2803 67 K 3.8803 7.9066 115.7345 58.7077 30.3286 175.0093 68 I 5.0162 7.2383 117.4660 60.0940 39.4329 175.6063 69 Y 5.1849 9.1361 124.0058 56.0585 41.8245 174.3251 70 L 5.1890 8.6305 122.7430 53.6798 45.4027 174.7217 71 Y 5.1636 8.5504 125.7581 56.3045 43.0528 174.0292 72 S 4.8730 7.6615 117.8161 57.8552 65.9674 172.8067 73 E 4.0749 8.3432 122.5024 56.2315 29.6331 176.4460 74 P 5.1637 0.0000 0.0000 62.0914 33.4451 175.4610 75 T 4.4115 9.0425 112.0497 60.3117 70.7232 175.8804 76 V 3.8087 8.5263 122.5672 66.8829 31.2793 178.5349 77 K 4.0559 8.0731 122.7895 59.8249 31.3395 180.3202 78 E 4.3066 7.8003 117.7201 58.6375 29.6927 178.5292 79 L 4.5107 7.9890 118.6553 55.6454 41.7122 178.3907 80 L 3.8662 7.3770 121.2354 57.8685 41.8550 176.6156 81 P 4.1996 0.0000 0.0000 63.5212 31.4138 176.0909 82 F 4.8184 7.6326 117.5169 55.9398 41.0638 175.4698 83 D 4.6290 8.8191 124.2497 56.4127 42.1247 176.6302 84 V 4.9053 7.7773 117.4899 60.9362 34.8858 174.4000 85 V 4.5196 8.5513 126.3015 61.1456 34.9228 173.9126 86 I 4.4598 8.6313 129.3182 59.5497 39.4101 174.4108 87 N 4.2011 8.7050 128.2580 51.9919 38.7070 175.1337 88 V 4.4286 8.3704 120.0433 60.0870 33.4880 175.1041 89 A 4.9898 8.1622 123.2880 50.1301 20.8717 177.3642 90 E 3.8792 8.8135 125.1105 59.5266 29.6582 177.8669 91 E 4.3044 8.1581 112.1761 56.2965 30.3258 175.5685 92 A 4.4178 7.5668 123.5884 50.8170 19.7115 177.0127 93 N 4.2811 8.2481 120.9456 53.9295 39.4582 173.8195 94 D 4.6729 8.7107 125.0605 54.0977 41.9850 175.5415 95 L 4.5426 7.7720 124.7242 54.0766 42.7419 178.2372 96 R 3.4247 6.7622 117.9881 59.4075 29.1461 178.9336 97 M 4.0001 7.6504 116.6791 57.7362 32.1307 177.0923 98 Q 4.2770 7.6696 115.6926 56.9237 29.5593 176.7932 99 V 4.4770 7.1869 111.8003 58.4657 32.2086 174.0712 100 P 4.1901 0.0000 0.0000 65.3401 31.7966 178.8816 101 A 4.0970 8.0285 121.1769 54.1460 18.5942 177.4893 102 V 4.4099 7.1742 115.2409 60.5741 33.4848 176.8394 103 E 4.2616 9.2893 123.9980 56.3100 29.7336 174.4778 104 Y 5.0109 8.4250 126.0192 56.1488 40.5740 174.3067 105 H 5.0610 8.8694 123.5770 54.2193 32.6221 172.5911 106 H 5.2291 8.8606 120.8669 54.9322 32.1403 171.6419 107 Y 4.2684 8.9982 124.9014 56.1427 39.6146 176.7498 108 R 4.7223 8.2166 125.8947 54.8716 28.2851 175.3788 109 W 4.7474 8.2270 121.2647 56.2665 31.0024 177.5795 110 E 4.4784 9.4542 125.4607 55.0111 30.4368 176.7233 111 H 4.1129 8.8906 119.8692 58.9988 29.6404 175.2305 112 D 4.7368 7.7225 115.3225 52.7104 39.6140 176.1065 113 S 4.1171 7.6419 115.0476 59.2313 63.2121 174.2623 114 Q 4.4531 8.2831 122.0154 55.0519 28.5653 176.4286 115 I 3.8908 8.4620 117.4930 60.9408 37.7910 177.0934 116 A 4.0149 7.8840 122.6715 55.6593 18.1408 179.0098 117 L 4.2756 7.7940 115.6659 57.4910 42.3114 178.6577 118 D 4.7482 8.1693 118.5420 56.8943 40.8818 178.3353 119 L 3.7152 7.7232 119.4495 57.4365 41.3917 177.8604 120 P 4.5421 0.0000 0.0000 65.7399 31.4336 178.9283 121 S 4.2293 8.0726 113.5687 61.5257 62.9858 176.6366 122 L 3.7439 7.9990 121.9744 57.8843 41.4361 179.6580 123 T 4.1531 8.3479 109.8225 64.6260 68.5821 176.6669 124 S 4.3194 8.0159 118.6506 61.3151 63.0640 176.3377 125 I 3.6547 7.5728 122.1135 64.3657 36.8105 178.5830 126 I 3.4571 7.4613 120.0097 64.5814 36.9471 177.8698 127 H 4.0116 8.2357 120.0880 58.5505 29.5123 177.0294 128 A 3.8731 8.3075 122.6507 55.1090 18.1224 179.4905 129 A 4.0846 7.8030 119.0618 55.4574 18.0225 180.0067 130 T 3.8307 7.8980 108.3931 65.1532 68.6219 177.0518 131 T 3.9212 7.5909 117.9028 66.0162 68.5024 175.7439 132 K 4.2943 7.6174 117.0415 55.3812 32.3779 176.8040 133 R 3.8522 7.5772 117.0775 57.3080 28.1222 176.0722 134 E 4.5467 8.2139 116.0077 55.2546 31.6280 176.6613 135 K 4.5557 9.2325 122.5174 56.1976 33.4540 175.9975 136 I 4.9245 8.8233 126.3565 59.3436 40.1376 174.2786 137 L 4.4760 8.3735 129.0763 53.1481 44.3158 174.8938 138 I 4.9434 8.3733 126.6342 59.6902 40.1794 174.2879 139 H 5.6760 9.0244 121.2512 53.2380 32.0398 172.4627 140 C 4.7144 8.6636 114.5221 59.2929 32.1814 174.3978 141 Q 4.3079 9.0696 114.9744 58.0168 29.1111 176.8951 142 C 4.2576 8.2946 114.0976 59.7960 29.2740 174.8941 143 G 4.2651 8.6542 106.8184 45.4730 0.0000 173.5085 144 L 4.5875 8.2064 120.2315 55.3723 43.7791 177.0393 145 S 4.5004 7.8652 109.2840 59.9968 64.8096 176.0601 146 R 4.2129 8.0534 118.8597 59.3022 30.0547 179.1333 147 S 4.1600 8.1404 113.4747 61.1846 63.1217 176.1162 148 A 4.0459 8.0910 123.9515 55.2863 18.1728 179.4418 149 T 3.8714 7.8475 113.9207 66.7698 68.4903 176.5226 150 L 4.0721 8.0765 122.0212 58.3251 42.0474 179.1037 151 I 3.8263 7.8587 119.7203 64.5148 37.0716 178.4247 152 I 3.7911 8.3420 120.8913 64.4517 37.0608 178.3826 153 A 4.1985 8.2394 121.6526 55.1179 18.0829 178.9647 154 Y 4.2944 8.4893 118.3919 61.2169 39.0961 178.3494 155 I 3.5806 8.2424 120.8638 64.6333 37.0559 178.2576 156 M 4.5355 8.2190 120.6711 57.7723 31.5682 178.7932 157 K 3.6727 8.0268 118.9952 59.6625 32.3650 178.0685 158 Y 4.2303 7.6100 113.6676 58.9997 38.0943 175.6719 159 H 4.6914 7.5348 114.7744 54.2897 30.6597 172.8568 160 N 4.1378 7.4696 116.9789 54.9868 37.6564 173.3769 161 L 4.8413 7.4239 117.3989 52.4756 45.2998 177.2939 162 S 4.7257 8.3153 116.3584 57.7714 65.1628 175.1160 163 L 3.9785 8.2129 122.6242 58.3911 41.6560 178.7516 164 R 3.8857 8.0046 117.9104 60.0753 29.9221 177.9091 165 H 4.2958 7.9766 115.3265 58.9560 28.7298 178.0637 166 S 4.1427 8.2102 116.8684 61.7840 62.7335 175.9327 167 Y 4.0784 8.5166 122.5132 60.9717 38.5029 177.9638 168 D 4.2894 8.5974 119.9533 57.3332 41.0886 178.8226 169 L 3.9283 8.1252 119.5305 57.7606 41.6596 179.4238 170 L 3.9973 7.7620 120.1512 57.9710 41.5519 178.7372 171 K 3.8367 8.0387 119.9846 59.7163 31.7726 178.8949 172 S 4.1084 7.8023 114.3909 61.0952 62.7313 176.1841 173 R 4.3719 7.4317 118.8877 57.2291 30.4708 176.2560 174 A 4.6387 8.2850 125.7391 50.2224 18.7056 176.2780 175 D 4.5583 8.3929 120.7535 56.7722 41.6532 177.3005 176 K 4.3319 7.9131 116.2136 56.1883 32.5483 176.9035 177 I 4.0140 7.1107 113.2088 61.5637 38.2328 176.5786 178 N 5.0348 8.8338 119.9850 52.1630 40.4308 172.0971 179 P 4.4190 0.0000 0.0000 62.1127 32.7331 177.4951 180 S 4.2706 8.5143 116.4515 58.5490 63.6456 175.3405 181 I 3.6530 8.6331 123.2643 64.7293 36.2457 178.6645 182 G 3.8293 8.2267 105.8665 48.0994 0.0000 175.4797 183 L 4.0353 7.9725 121.0755 57.4052 41.6887 179.5553 184 I 3.6832 7.6087 119.3976 64.2642 37.0609 178.2261 185 F 4.3060 8.2085 118.7762 60.7756 38.7412 177.7212 186 Q 4.1412 7.8903 116.6971 58.6546 28.4731 178.6055 187 L 4.1840 7.8853 120.3740 57.9023 41.6076 179.2782 188 M 4.1370 8.1487 118.8369 58.4164 31.8564 178.5596 189 E 4.0262 8.1902 118.3008 59.2308 29.6238 179.1856 190 W 4.4115 8.3917 128.3891 60.5272 30.8395 177.6718 191 E 3.7634 8.3865 119.3993 59.0551 28.8441 178.9443 192 V 3.5240 7.7447 117.2703 65.7822 31.9401 177.5035 193 A 4.0437 8.0201 120.5031 55.3302 18.0403 179.7395 194 L 3.6158 7.3455 115.9068 57.2138 41.6684 178.5967 195 N 4.5664 7.5799 113.3376 53.6821 39.0039 176.3039 196 A 4.0762 7.4085 123.6587 54.2427 18.5255 178.1252 *197 K 4.0678 7.8976 123.7632 54.6124 32.5730 181.0267 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 54 R 8.25 4.37 0.00 1.85 1.85 0.00 3.22 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 55 I 8.08 3.67 1.60 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.96 -0.04 0.00 0.00 56 Y 7.38 4.71 0.00 3.47 3.26 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 57 P 0.00 4.35 0.00 2.23 2.22 0.00 3.90 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 58 K 8.02 4.12 0.00 2.08 1.93 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.01 7.81 59 G 7.85 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 0.00 0.00 0.00 60 P 0.00 3.94 0.00 2.00 1.98 0.00 3.30 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.34 0.00 61 L 8.51 4.53 0.00 1.67 1.45 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.39 3.27 0.00 1.01 1.30 0.55 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.36 4.30 1.98 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 0.82 0.00 0.00 0.88 0.00 0.00 64 L 7.49 4.86 0.00 1.69 1.74 1.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.36 0.00 2.22 2.32 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 66 E 8.12 4.11 0.00 2.14 2.16 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 2.33 2.38 0.00 67 K 7.91 3.88 0.00 2.09 2.11 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.44 7.81 68 I 7.24 5.02 1.83 0.00 0.00 0.50 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 0.74 0.83 0.00 0.00 69 Y 9.14 5.18 0.00 2.86 2.80 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 70 L 8.63 5.19 0.00 1.66 1.31 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.55 5.16 0.00 2.86 2.64 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 0.00 0.00 0.00 72 S 7.66 4.87 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 73 E 8.34 4.07 0.00 2.21 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 2.29 2.27 0.00 74 P 0.00 5.16 0.00 2.18 2.22 0.00 3.61 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.67 0.00 75 T 9.04 4.41 4.27 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 1.30 0.00 0.00 76 V 8.53 3.81 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 1.02 0.00 0.00 0.93 0.00 0.00 77 K 8.07 4.06 0.00 1.80 1.81 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.10 7.81 78 E 7.80 4.31 0.00 2.26 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 2.39 2.42 0.00 79 L 7.99 4.51 0.00 1.94 1.82 1.07 0.49 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 80 L 7.38 3.87 0.00 1.56 1.84 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.20 0.00 1.06 1.66 0.00 3.67 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 82 F 7.63 4.82 0.00 3.10 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 83 D 8.82 4.63 0.00 2.66 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 84 V 7.78 4.91 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 1.08 0.00 0.00 0.93 0.00 0.00 85 V 8.55 4.52 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 0.63 0.00 0.00 0.85 0.00 0.00 86 I 8.63 4.46 1.60 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 0.90 0.33 0.56 0.00 0.00 87 N 8.70 4.20 0.00 2.29 2.43 0.00 0.00 6.70 7.60 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 88 V 8.37 4.43 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 0.22 0.00 0.00 0.85 0.00 0.00 89 A 8.16 4.99 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 90 E 8.81 3.88 0.00 1.94 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 0.00 2.38 2.37 0.00 91 E 8.16 4.30 0.00 2.15 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 0.00 2.28 2.28 0.00 92 A 7.57 4.42 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 93 N 8.25 4.28 0.00 2.79 2.78 0.00 0.00 7.20 8.35 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 94 D 8.71 4.67 0.00 2.83 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.77 4.54 0.00 1.66 1.50 0.97 0.43 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 96 R 6.76 3.42 0.00 1.78 1.63 0.00 2.72 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 97 M 7.65 4.00 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 98 Q 7.67 4.28 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.18 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 99 V 7.19 4.48 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 0.81 0.00 0.00 1.03 0.00 0.00 100 P 0.00 4.19 0.00 2.16 2.17 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 101 A 8.03 4.10 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 0.00 102 V 7.17 4.41 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.07 0.00 0.00 103 E 9.29 4.26 0.00 1.95 1.98 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 2.34 2.27 0.00 104 Y 8.43 5.01 0.00 2.96 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 0.00 105 H 8.87 5.06 0.00 2.92 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 8.86 5.23 0.00 3.39 3.19 0.00 5.73 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 9.00 4.27 0.00 2.29 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 0.00 108 R 8.22 4.72 0.00 1.71 1.91 0.00 3.13 0.00 0.00 3.33 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 109 W 8.23 4.75 0.00 3.70 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 0.00 110 E 9.45 4.48 0.00 2.04 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 2.35 2.31 0.00 111 H 8.89 4.11 0.00 3.11 3.41 0.00 5.86 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 D 7.72 4.74 0.00 2.67 2.44 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 0.00 113 S 7.64 4.12 0.00 3.65 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 0.00 114 Q 8.28 4.45 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 115 I 8.46 3.89 1.04 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.34 -0.80 0.00 0.00 116 A 7.88 4.01 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 0.00 117 L 7.79 4.28 0.00 1.71 1.82 0.96 1.09 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 0.00 118 D 8.17 4.75 0.00 3.23 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 0.00 119 L 7.72 3.72 0.00 1.03 0.14 0.07 0.58 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 0.00 120 P 0.00 4.54 0.00 2.30 2.33 0.00 3.81 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 2.30 2.61 0.00 121 S 8.07 4.23 0.00 3.99 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 0.00 122 L 8.00 3.74 0.00 1.55 1.41 0.13 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.35 4.15 4.85 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 1.36 0.00 0.00 124 S 8.02 4.32 0.00 4.11 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 0.00 125 I 7.57 3.65 1.85 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.00 0.63 0.00 0.00 126 I 7.46 3.46 1.71 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.70 0.03 0.00 0.00 127 H 8.24 4.01 0.00 1.99 2.82 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.31 3.87 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 0.00 129 A 7.80 4.08 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 0.00 130 T 7.90 3.83 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 131 T 7.59 3.92 4.32 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 1.18 0.00 0.00 132 K 7.62 4.29 0.00 1.92 1.82 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.54 7.81 133 R 7.58 3.85 0.00 1.97 2.01 0.00 3.15 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 134 E 8.21 4.55 0.00 1.98 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 2.30 2.44 0.00 135 K 9.23 4.56 0.00 1.83 1.75 0.00 1.14 0.00 0.00 1.21 0.00 0.00 2.74 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.50 1.35 7.81 136 I 8.82 4.92 1.83 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 1.06 0.99 0.77 0.00 0.00 137 L 8.37 4.48 0.00 0.27 0.76 0.63 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.37 4.94 1.78 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 0.81 0.00 0.00 139 H 9.02 5.68 0.00 3.53 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 C 8.66 4.71 0.00 3.00 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 0.00 141 Q 9.07 4.31 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 142 C 8.29 4.26 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 0.00 143 G 8.65 4.27 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 0.00 144 L 8.21 4.59 0.00 1.73 1.72 0.93 0.74 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 0.00 145 S 7.87 4.50 0.00 3.87 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 0.00 146 R 8.05 4.21 0.00 2.06 2.32 0.00 3.71 0.00 0.00 3.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.84 0.00 147 S 8.14 4.16 0.00 4.04 4.06 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 0.00 148 A 8.09 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 7.85 3.87 4.58 0.00 0.00 0.00 0.00 0.00 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 0.00 150 L 8.08 4.07 0.00 1.87 1.81 0.84 0.72 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 0.00 151 I 7.86 3.83 2.05 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 0.61 1.00 0.00 0.00 152 I 8.34 3.79 2.16 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.03 1.05 0.00 0.00 153 A 8.24 4.20 1.14 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 0.00 0.00 154 Y 8.49 4.29 0.00 3.18 3.29 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 0.00 155 I 8.24 3.58 1.96 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 1.66 1.22 0.94 0.00 0.00 156 M 8.22 4.54 0.00 2.17 2.59 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.64 0.00 157 K 8.03 3.67 0.00 1.96 1.67 0.00 1.75 0.00 0.00 1.32 0.00 0.00 2.56 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.46 1.06 7.81 158 Y 7.61 4.23 0.00 2.43 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 0.00 159 H 7.53 4.69 0.00 3.30 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 N 7.47 4.14 0.00 2.72 2.77 0.00 0.00 6.92 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.42 4.84 0.00 1.69 1.56 0.92 1.04 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 0.00 162 S 8.32 4.73 0.00 4.13 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 0.00 163 L 8.21 3.98 0.00 1.86 1.72 0.97 0.93 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 0.00 164 R 8.00 3.89 0.00 1.87 1.82 0.00 3.24 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 165 H 7.98 4.30 0.00 3.22 3.32 0.00 5.68 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 0.00 166 S 8.21 4.14 0.00 4.11 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 0.00 167 Y 8.52 4.08 0.00 3.09 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 D 8.60 4.29 0.00 2.98 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 0.00 169 L 8.13 3.93 0.00 1.82 1.70 0.91 0.76 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 0.00 170 L 7.76 4.00 0.00 1.87 1.54 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 171 K 8.04 3.84 0.00 1.25 1.52 0.00 1.65 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.12 1.20 7.81 172 S 7.80 4.11 0.00 4.02 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 0.00 173 R 7.43 4.37 0.00 1.82 2.03 0.00 3.25 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 1.71 1.66 0.00 174 A 8.28 4.64 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 0.00 175 D 8.39 4.56 0.00 2.63 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 0.00 176 K 7.91 4.33 0.00 1.93 1.76 0.00 1.93 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.41 0.99 7.81 177 I 7.11 4.01 1.96 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 1.36 0.55 1.01 0.00 0.00 178 N 8.83 5.03 0.00 2.64 2.76 0.00 0.00 7.20 7.72 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 0.00 179 P 0.00 4.42 0.00 2.23 2.23 0.00 4.02 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 180 S 8.51 4.27 0.00 4.09 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 0.00 181 I 8.63 3.65 1.91 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 1.46 0.53 0.93 0.00 0.00 182 G 8.23 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.97 4.04 0.00 1.86 1.67 0.91 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 184 I 7.61 3.68 1.64 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 1.45 0.63 0.58 0.00 0.00 185 F 8.21 4.31 0.00 3.25 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 Q 7.89 4.14 0.00 2.21 2.08 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 2.37 2.65 0.00 187 L 7.89 4.18 0.00 1.92 1.80 0.96 1.00 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 M 8.15 4.14 0.00 2.15 2.37 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.57 0.00 189 E 8.19 4.03 0.00 2.34 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 2.37 2.38 0.00 190 W 8.39 4.41 0.00 3.46 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 0.00 191 E 8.39 3.76 0.00 2.23 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 2.26 2.26 0.00 192 V 7.74 3.52 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 0.85 0.00 0.00 1.00 0.00 0.00 193 A 8.02 4.04 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 0.00 194 L 7.35 3.62 0.00 1.25 1.38 0.37 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 195 N 7.58 4.57 0.00 2.64 2.79 0.00 0.00 6.98 6.79 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 0.00 196 A 7.41 4.08 1.32 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 0.00 0.00 *197 K 7.90 4.07 0.00 1.54 1.64 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.