NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 56 C 4.4982 8.2027 118.3632 59.5137 29.5095 173.5729 57 S 3.8241 8.8968 120.6875 59.1384 61.9673 173.9628 58 P 4.4304 0.0000 0.0000 64.5565 32.4561 176.2681 59 G 4.3693 8.3342 106.1903 46.8622 0.0000 172.4560 60 I 4.9853 7.3783 120.8802 59.4921 38.9892 175.0216 61 W 5.3860 9.2956 125.8310 54.9696 33.7627 174.1379 62 Q 5.1608 9.1168 120.2801 54.2290 31.5944 174.7233 63 L 5.3603 8.0737 122.4925 53.3407 45.2051 175.3070 64 D 4.6044 8.7267 118.6000 54.0772 45.3515 174.0212 65 C 5.2249 9.0083 120.5438 58.4788 30.5259 172.7548 66 T 4.7780 8.6345 116.1907 60.6375 71.1908 171.8477 67 H 5.7460 8.4575 119.0594 53.1473 32.8748 173.5183 68 L 4.5008 8.4610 119.9309 54.9446 45.6230 175.6291 69 E 3.8201 9.8043 122.0788 57.5831 27.0089 175.6270 70 G 3.9243 8.5050 103.3844 45.8039 0.0000 174.0513 71 K 4.6226 7.9875 119.0121 54.2903 35.0636 174.8844 72 V 4.5850 8.0403 120.3906 61.5957 33.6530 174.4461 73 I 4.8389 8.4052 128.4260 59.4011 39.9766 174.2543 74 L 4.4638 8.8291 130.8093 54.0879 43.4815 175.5058 75 V 4.9536 8.7970 125.6473 60.9932 34.9641 173.8646 76 A 5.4982 9.4446 128.9540 50.2452 22.5022 175.0201 77 V 4.8063 9.1178 120.8794 61.4529 35.2675 174.2431 78 H 3.6673 9.1352 128.7269 54.5026 29.0758 175.6997 79 V 3.3223 7.7439 125.1444 65.8662 31.3745 178.2878 80 A 4.1260 7.4183 119.8704 53.8835 18.2698 177.8141 81 S 4.4025 7.3753 106.1417 56.6904 64.4834 175.5315 82 G 3.8990 8.4157 108.9593 44.9780 0.0000 172.9630 83 Y 4.4233 7.5034 122.3764 57.6300 39.7850 174.7662 84 I 5.1383 7.9531 118.4913 59.2762 41.4912 174.3862 85 E 4.8593 9.1004 120.8727 54.9809 33.7145 174.6056 86 A 5.3488 8.5445 124.2562 50.9170 23.0239 174.6680 87 E 4.7422 8.7854 117.0406 55.1866 33.9003 174.8792 88 V 4.3845 8.6698 127.3675 62.8163 32.2106 174.9199 89 I 4.6638 8.2316 121.8551 58.2321 39.1961 174.0645 90 P 4.3274 0.0000 0.0000 65.7185 31.2043 176.2822 91 A 4.5853 7.3577 118.2924 50.5820 22.4401 175.8673 92 E 4.1993 8.5196 122.5634 55.4744 28.5312 176.0871 93 T 4.6860 7.1380 112.5938 59.7103 73.3541 175.5233 94 G 3.5923 8.3628 108.0201 47.5176 0.0000 175.7004 95 Q 3.9550 7.9877 121.3075 59.3556 29.2046 178.2557 96 E 4.1097 8.0111 118.9802 59.6806 29.3785 179.6046 97 T 3.9156 8.0770 115.6671 66.5614 68.5182 176.6627 98 A 4.0742 8.7492 123.1089 55.1933 18.5012 179.0692 99 Y 4.1754 8.2310 118.1270 60.8720 38.8572 178.0308 100 F 3.9448 8.4339 121.5568 61.2896 39.4827 177.0235 101 L 4.0112 8.4056 118.7539 57.7473 41.4045 179.5295 102 L 3.9819 8.0094 118.8351 57.6683 41.7255 179.6401 103 K 3.6898 7.4918 117.8581 59.2605 31.9846 178.9987 104 L 3.7650 7.6224 120.2825 58.2097 41.7422 179.0133 105 A 4.0825 8.1134 119.5879 54.7547 18.3625 179.2557 106 G 3.6581 7.8849 102.7126 46.3217 0.0000 175.2313 107 R 3.9508 7.0074 119.0618 56.5844 30.8886 175.7325 108 W 5.0296 7.1666 115.2064 54.1117 32.6799 174.7656 109 P 4.5318 0.0000 0.0000 61.9646 28.9436 174.2222 110 V 4.3214 7.8287 118.8291 62.2161 31.5570 175.1229 111 K 4.4963 9.2069 127.9462 57.8726 34.2192 177.2444 112 T 5.1549 7.8209 115.3300 61.7936 73.0597 173.3940 113 V 4.8447 8.7519 119.1874 59.8700 34.9005 174.2029 114 H 5.4582 9.1762 123.2126 54.3678 31.0193 173.9189 115 T 4.7984 8.3981 112.8547 60.0616 72.9604 172.7634 116 D 5.1067 8.0510 120.4748 52.3871 41.6061 175.4764 117 N 4.4709 8.8494 116.3843 54.9284 39.3737 175.8766 118 G 4.0323 8.6668 107.2988 47.0644 0.0000 174.3074 119 S 4.2332 9.3705 121.6925 60.9979 62.5495 176.8914 120 N 4.2462 7.9545 118.8273 56.0757 36.8014 177.0364 121 F 4.6571 7.9178 119.0530 59.4827 39.2662 176.9435 122 T 4.4016 7.8217 107.9566 61.0893 69.5241 174.8698 123 S 4.2535 7.3007 117.3577 58.6907 63.6539 175.6191 124 T 3.9733 8.4585 112.4237 65.1880 68.5524 176.7108 125 T 3.8483 7.8585 115.6265 65.0117 67.3699 176.2325 126 V 3.7123 7.7712 120.0518 65.5786 31.4795 177.8909 127 K 3.9794 8.3057 119.3442 59.5959 32.0085 178.6232 128 A 4.0447 8.4724 121.1291 54.9981 18.2145 179.4018 129 A 4.0227 8.1547 119.2686 55.7256 18.5364 179.6857 130 C 4.1926 8.4823 115.5120 62.8921 28.2411 176.0577 131 E 3.9554 8.5618 121.0959 58.9928 29.0544 178.5938 132 W 4.1480 8.4403 127.6686 60.3688 30.9344 177.5545 133 G 3.9221 8.7706 103.1151 44.4556 0.0000 173.5694 134 G 3.8421 7.7438 108.5012 46.6974 0.0000 173.4110 135 I 4.5875 8.1236 120.3169 59.1927 38.9889 175.5804 136 K 4.4397 9.2464 128.6516 55.5532 33.6320 175.3094 137 Q 5.0039 8.5558 125.3581 54.4842 31.4766 174.8786 138 E 4.5040 8.2795 120.3071 54.8699 34.1545 174.1432 139 F 5.2461 8.4097 122.9159 56.8272 41.2714 172.0835 140 G 3.7309 9.3440 117.1518 46.9549 0.0000 175.2061 *149 G 4.0449 9.2176 116.7960 45.3644 0.0000 175.1818 150 V 3.4745 7.7682 118.9051 66.2938 31.4413 177.6735 151 I 3.6798 7.7400 117.5086 64.1206 37.7549 177.5978 152 E 3.9691 8.0850 118.9374 59.4858 29.3739 179.2449 153 S 4.1184 8.0169 115.1309 61.8194 62.9032 176.6935 154 M 3.9937 8.0864 121.2226 58.4989 31.7262 178.4611 155 N 4.2920 8.1428 116.5250 56.1584 38.7012 177.2424 156 K 3.8849 7.9812 120.8165 59.7320 32.2973 178.5449 157 E 3.9790 8.6142 119.9080 58.8810 29.5091 178.5073 158 L 3.9160 8.5033 120.9300 58.1498 42.1534 179.0512 159 K 4.0213 8.1711 118.4408 59.2253 31.9442 179.1933 160 K 3.9116 7.9643 119.8096 59.7270 32.2350 178.9289 161 I 4.0103 7.9045 121.5264 63.9153 37.0188 178.4211 162 I 3.8373 8.3927 121.2004 64.3702 36.6947 178.6575 163 G 3.6428 7.9986 105.5882 48.0308 0.0000 175.4987 164 Q 4.1979 8.2666 120.5526 57.8245 28.6549 178.1687 165 V 4.3641 7.7043 110.8839 60.9045 31.9829 177.3119 166 R 3.8864 7.8535 120.0918 59.8275 29.9205 177.1761 167 D 4.4920 8.0420 117.3787 56.8141 41.1719 177.6662 168 Q 4.0816 8.1745 116.6550 57.0550 28.8321 175.5271 169 A 4.6793 7.2130 119.3751 50.5206 22.5128 176.1014 170 E 4.0058 8.8097 120.7688 58.7333 30.3734 177.4740 171 H 5.0048 7.6776 114.5977 53.6170 32.3787 175.3222 172 L 3.9947 8.4162 125.1130 58.2645 41.8919 179.3558 173 K 3.9164 8.2036 118.2609 60.5540 32.1639 179.0790 174 T 3.8839 7.8972 115.8798 66.3744 68.4992 176.3045 175 A 4.0018 7.8664 122.2988 55.2777 18.2663 179.7910 176 V 3.5658 8.1839 116.9266 66.4467 31.6280 178.3996 177 Q 4.0906 7.9825 117.7806 59.0038 28.4114 178.6083 178 M 4.0600 8.2586 119.8342 58.2041 31.9364 178.5140 179 A 4.0295 8.4060 121.3619 55.2105 18.4954 179.8038 180 V 3.5477 8.0671 116.8317 66.0308 31.6189 177.8461 181 F 4.0549 8.3444 120.3204 61.5058 39.2687 177.1010 182 I 3.8727 8.3302 119.5451 64.6637 36.7111 177.8871 183 H 4.0863 8.3820 118.0229 59.5697 30.0760 176.9501 184 N 4.4403 8.5437 118.2830 55.7366 38.0775 177.1504 185 K 4.0423 7.6741 118.6714 56.6739 33.0179 177.4272 186 K 3.9461 7.6432 121.0637 56.6319 32.8903 175.3779 187 R 4.5979 8.2576 123.8991 53.6178 32.3783 175.2173 188 K 3.9550 8.6426 123.5047 58.2714 31.7750 176.9369 189 G 3.8286 9.0726 114.4745 44.9220 0.0000 174.3536 190 G 3.8245 8.7851 107.2919 45.6359 0.0000 173.7342 191 I 4.3730 7.0388 120.4018 60.1908 40.6796 176.6811 192 G 3.6913 9.5954 115.6559 46.0680 0.0000 172.2072 193 G 3.7692 8.4359 106.9309 44.9333 0.0000 172.0943 194 Y 4.8301 8.3806 115.5344 56.3092 40.4971 175.9922 195 S 4.9396 8.7598 118.8152 56.0285 66.5768 175.3576 196 A 4.0727 8.4207 123.8577 55.3572 18.0705 180.0997 197 G 3.7618 8.3547 104.2247 48.1324 0.0000 175.7021 198 E 4.1428 8.0852 120.3776 58.9497 29.5375 179.5112 199 R 3.7162 8.1408 118.4773 59.0092 30.0324 178.8535 200 I 3.3382 7.6210 118.3762 64.1712 37.8270 178.4762 201 V 3.7102 7.2719 112.6241 64.1137 31.2319 178.2351 202 D 4.2452 7.9807 117.9060 57.3427 40.9981 178.1797 203 I 3.6176 7.9166 120.6884 64.6525 36.9111 178.5938 204 I 3.7595 7.7439 119.0471 64.0433 37.1823 178.1432 205 A 4.1611 8.3478 122.2946 55.4683 18.4297 179.8890 206 T 3.9137 8.3029 108.3225 64.3806 68.5626 175.4698 207 D 4.5196 7.5400 119.4595 55.7889 41.4960 177.4545 208 I 3.9943 7.5424 118.9249 63.1666 37.2793 175.7439 209 Q 4.2465 7.4711 122.6997 55.8844 29.0144 175.1890 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 56 C 8.20 4.50 0.00 3.01 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 57 S 8.90 3.82 0.00 3.88 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 58 P 0.00 4.43 0.00 2.23 2.14 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 59 G 8.33 4.37 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 0.00 60 I 7.38 4.99 1.74 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.08 0.76 0.00 0.00 61 W 9.30 5.39 0.00 3.19 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 62 Q 9.12 5.16 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 63 L 8.07 5.36 0.00 1.23 1.49 1.05 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.73 4.60 0.00 2.70 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 65 C 9.01 5.22 0.00 3.01 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 66 T 8.63 4.78 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 1.19 0.00 0.00 67 H 8.46 5.75 0.00 3.02 3.21 0.00 5.82 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.46 4.50 0.00 1.67 1.52 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 E 9.80 3.82 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 70 G 8.51 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 0.00 0.00 0.00 71 K 7.99 4.62 0.00 1.97 1.70 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.34 7.81 72 V 8.04 4.59 2.21 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 0.91 0.00 0.00 0.96 0.00 0.00 73 I 8.41 4.84 1.83 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 1.11 0.54 0.89 0.00 0.00 74 L 8.83 4.46 0.00 1.46 1.00 0.94 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.80 4.95 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.00 0.00 0.00 76 A 9.44 5.50 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 0.00 0.00 0.00 0.00 0.00 77 V 9.12 4.81 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 0.92 0.00 0.00 0.94 0.00 0.00 78 H 9.14 3.67 0.00 1.40 2.62 0.00 5.68 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.74 3.32 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 0.78 0.00 0.00 0.88 0.00 0.00 80 A 7.42 4.13 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 81 S 7.38 4.40 0.00 3.88 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 82 G 8.42 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.50 4.42 0.00 3.02 2.52 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 0.00 84 I 7.95 5.14 1.89 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 1.21 0.70 0.87 0.00 0.00 85 E 9.10 4.86 0.00 2.15 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 2.39 2.52 0.00 86 A 8.54 5.35 1.21 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 0.00 0.00 87 E 8.79 4.74 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 88 V 8.67 4.38 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 0.90 0.00 0.00 0.95 0.00 0.00 89 I 8.23 4.66 1.89 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 0.86 0.99 0.00 0.00 90 P 0.00 4.33 0.00 2.19 2.24 0.00 3.89 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 1.99 1.98 0.00 91 A 7.36 4.59 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.52 4.20 0.00 1.92 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 2.17 2.17 0.00 93 T 7.14 4.69 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 1.18 0.00 0.00 94 G 8.36 3.59 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 0.00 0.00 0.00 95 Q 7.99 3.96 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 96 E 8.01 4.11 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.62 0.00 97 T 8.08 3.92 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 1.21 0.00 0.00 98 A 8.75 4.07 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 99 Y 8.23 4.18 0.00 3.16 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 0.00 100 F 8.43 3.94 0.00 3.24 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 0.00 101 L 8.41 4.01 0.00 2.12 1.77 1.04 0.69 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 0.00 102 L 8.01 3.98 0.00 1.75 1.62 0.78 0.60 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 0.00 103 K 7.49 3.69 0.00 1.56 1.54 0.00 0.61 0.00 0.00 0.94 0.00 0.00 2.59 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.13 0.98 7.81 104 L 7.62 3.77 0.00 1.31 1.53 0.50 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.11 4.08 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 0.00 106 G 7.88 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 0.00 0.00 0.00 107 R 7.01 3.95 0.00 1.76 1.86 0.00 2.98 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.71 0.00 108 W 7.17 5.03 0.00 3.33 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 0.00 109 P 0.00 4.53 0.00 2.33 2.09 0.00 3.96 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.18 0.00 110 V 7.83 4.32 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 0.69 0.00 0.00 0.51 0.00 0.00 111 K 9.21 4.50 0.00 1.93 1.85 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.47 7.81 112 T 7.82 5.15 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 1.20 0.00 0.00 113 V 8.75 4.84 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 0.94 0.00 0.00 0.96 0.00 0.00 114 H 9.18 5.46 0.00 3.01 3.10 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.40 4.80 3.19 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 0.66 0.00 0.00 116 D 8.05 5.11 0.00 2.85 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 0.00 117 N 8.85 4.47 0.00 2.74 2.92 0.00 0.00 6.72 7.94 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 0.00 118 G 8.67 4.03 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 0.00 0.00 0.00 119 S 9.37 4.23 0.00 3.84 3.93 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 0.00 0.00 0.00 120 N 7.95 4.25 0.00 2.69 3.05 0.00 0.00 5.19 7.29 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 0.00 121 F 7.92 4.66 0.00 3.40 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 0.00 122 T 7.82 4.40 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 0.83 0.00 0.00 123 S 7.30 4.25 0.00 4.04 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 0.00 124 T 8.46 3.97 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 1.23 0.00 0.00 125 T 7.86 3.85 4.25 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 1.26 0.00 0.00 126 V 7.77 3.71 2.21 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 1.26 0.00 0.00 1.09 0.00 0.00 127 K 8.31 3.98 0.00 2.10 2.09 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.57 7.81 128 A 8.47 4.04 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 0.00 129 A 8.15 4.02 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 C 8.48 4.19 0.00 3.21 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 0.00 131 E 8.56 3.96 0.00 2.10 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 2.34 2.35 0.00 132 W 8.44 4.15 0.00 3.41 3.43 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 0.00 133 G 8.77 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 0.00 0.00 0.00 134 G 7.74 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 0.00 0.00 0.00 135 I 8.12 4.59 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.73 0.98 0.00 0.00 136 K 9.25 4.44 0.00 1.79 1.74 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.42 7.81 137 Q 8.56 5.00 0.00 1.80 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.54 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 138 E 8.28 4.50 0.00 1.90 1.68 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 2.20 2.48 0.00 139 F 8.41 5.25 0.00 2.95 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 9.34 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *149 G 9.22 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 7.77 3.47 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.89 0.00 0.00 151 I 7.74 3.68 1.86 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 1.62 1.05 0.89 0.00 0.00 152 E 8.09 3.97 0.00 2.28 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 2.40 2.40 0.00 153 S 8.02 4.12 0.00 3.95 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 0.00 154 M 8.09 3.99 0.00 1.97 2.21 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.89 0.00 155 N 8.14 4.29 0.00 2.90 2.87 0.00 0.00 6.83 7.11 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 0.00 156 K 7.98 3.88 0.00 2.05 1.88 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.45 7.81 157 E 8.61 3.98 0.00 2.05 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 2.34 2.34 0.00 158 L 8.50 3.92 0.00 1.81 1.79 0.92 0.62 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 0.00 159 K 8.17 4.02 0.00 2.12 1.86 0.00 1.82 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.54 7.81 160 K 7.96 3.91 0.00 1.85 2.02 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 161 I 7.90 4.01 1.90 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 1.57 1.29 0.96 0.00 0.00 162 I 8.39 3.84 2.05 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 1.48 1.05 0.93 0.00 0.00 163 G 8.00 3.64 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 0.00 0.00 0.00 164 Q 8.27 4.20 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 165 V 7.70 4.36 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 0.83 0.00 0.00 1.03 0.00 0.00 166 R 7.85 3.89 0.00 2.00 1.99 0.00 3.32 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 167 D 8.04 4.49 0.00 2.82 2.69 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 0.00 168 Q 8.17 4.08 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 169 A 7.21 4.68 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 0.00 170 E 8.81 4.01 0.00 1.86 1.80 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 2.07 2.24 0.00 171 H 7.68 5.00 0.00 3.27 3.19 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.42 3.99 0.00 1.92 1.69 0.99 0.57 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 0.00 173 K 8.20 3.92 0.00 2.05 2.10 0.00 1.53 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.58 7.81 174 T 7.90 3.88 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 175 A 7.87 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 V 8.18 3.57 2.30 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 1.14 0.00 0.00 1.03 0.00 0.00 177 Q 7.98 4.09 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.66 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 178 M 8.26 4.06 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.48 0.00 179 A 8.41 4.03 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 0.00 180 V 8.07 3.55 2.30 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 1.08 0.00 0.00 1.00 0.00 0.00 181 F 8.34 4.05 0.00 3.30 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 0.00 182 I 8.33 3.87 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.97 0.98 0.00 0.00 183 H 8.38 4.09 0.00 3.18 3.48 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 N 8.54 4.44 0.00 2.71 2.92 0.00 0.00 6.87 7.85 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 0.00 185 K 7.67 4.04 0.00 1.76 1.79 0.00 1.37 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.92 1.28 7.81 186 K 7.64 3.95 0.00 2.04 1.64 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.43 7.81 187 R 8.26 4.60 0.00 1.87 1.99 0.00 3.18 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 188 K 8.64 3.96 0.00 1.72 1.76 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 189 G 9.07 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 0.00 190 G 8.79 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 0.00 0.00 0.00 191 I 7.04 4.37 1.86 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 1.23 0.81 0.90 0.00 0.00 192 G 9.60 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 0.00 0.00 0.00 193 G 8.44 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 Y 8.38 4.83 0.00 2.92 2.81 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 0.00 195 S 8.76 4.94 0.00 4.28 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 0.00 196 A 8.42 4.07 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 0.00 197 G 8.35 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 E 8.09 4.14 0.00 2.36 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 199 R 8.14 3.72 0.00 1.92 1.84 0.00 3.03 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.76 0.00 200 I 7.62 3.34 1.29 0.00 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.68 0.21 0.00 0.00 201 V 7.27 3.71 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 0.97 0.00 0.00 1.06 0.00 0.00 202 D 7.98 4.25 0.00 2.86 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 0.00 203 I 7.92 3.62 1.95 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 1.42 0.91 0.86 0.00 0.00 204 I 7.74 3.76 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.53 1.01 0.00 0.00 205 A 8.35 4.16 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 0.00 206 T 8.30 3.91 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 207 D 7.54 4.52 0.00 2.73 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 0.00 208 I 7.54 3.99 2.02 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 1.53 0.94 0.91 0.00 0.00 209 Q 7.47 4.25 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.