NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 100 K 4.1373 8.3144 120.1350 55.9924 34.0839 176.0407 101 K 4.1344 7.8659 125.6355 54.9623 31.4394 173.8005 102 S 4.4738 8.7371 122.8417 58.5083 65.5736 173.8426 103 I 4.3027 7.5102 119.8720 58.1312 38.7793 172.6578 104 P 4.5810 0.0000 0.0000 62.5458 32.5705 175.3717 105 V 4.6575 8.1551 121.0998 61.2658 35.4520 173.9214 106 R 4.6777 8.7041 126.0067 54.7759 34.2409 173.7219 107 G 5.0670 9.8523 111.8647 43.7444 0.0000 170.8521 108 A 5.0184 8.5188 120.1938 49.7601 21.2611 175.3775 109 A 2.0000 7.8745 123.9056 49.3434 20.9969 175.2799 110 I 4.4327 7.0938 122.7562 59.8606 40.0213 175.0860 111 F 5.3317 8.7662 123.8052 55.2099 42.5322 174.5325 112 N 4.9787 8.9729 119.1963 52.9079 37.9113 175.8291 113 E 4.0905 9.4537 117.4589 59.1238 29.6142 177.4039 114 N 4.5800 8.1977 115.2306 52.6500 39.2799 174.0549 115 L 3.8001 7.5827 115.6435 57.0149 39.3789 174.6313 116 S 4.8089 8.2520 109.8059 57.8375 64.7465 173.1170 117 K 5.2415 8.8808 117.4950 55.6632 36.8061 174.9702 118 I 4.8211 8.8132 122.5652 59.7019 40.0629 174.6809 119 L 4.0028 8.1898 128.7329 53.6026 42.4980 175.6457 120 L 4.1709 7.9274 126.0322 53.1695 44.7984 175.9586 121 V 4.5673 7.8226 112.6818 59.8794 36.6406 174.1086 122 Q 4.0860 8.2265 123.9560 54.8800 29.6069 175.7774 123 G 4.0483 7.4822 117.1215 44.3404 0.0000 173.7841 124 T 3.5961 8.3548 108.3561 64.3505 68.8082 174.5272 125 E 4.2327 7.1524 120.6394 55.8693 31.6467 178.2984 126 S 4.0868 8.7942 120.1821 60.3236 61.5096 177.5430 127 D 4.6215 9.0388 124.6417 53.9885 39.4014 175.2735 128 S 4.5961 6.6651 114.3242 56.0639 66.5142 175.0742 129 W 4.7833 7.8693 121.1549 56.5748 31.9891 173.9395 130 S 4.2250 8.1069 119.6567 57.6165 67.7154 175.0762 131 F 4.6878 8.5510 119.7081 56.6662 39.8353 174.3402 132 P 4.6879 0.0000 0.0000 63.3006 32.7177 175.1953 133 R 5.4732 7.6309 116.7076 54.7443 33.1413 173.3640 134 G 4.0542 7.8168 104.1781 45.9562 0.0000 171.4507 135 K 5.0653 8.4875 119.3740 55.8426 33.4660 176.6857 136 I 4.4933 7.9902 115.4271 58.7169 40.0510 175.6239 137 S 4.1803 8.3427 117.9580 58.6516 63.2823 174.1299 138 K 4.3151 8.2841 124.4255 56.1435 33.3334 175.1339 139 D 4.4754 8.6137 118.7277 55.2479 38.1702 173.5688 140 E 4.6392 7.7005 117.2028 53.0902 33.1855 173.8021 141 N 4.3741 8.5997 122.8230 53.7184 40.1870 175.1402 142 D 4.3182 8.7938 126.8112 57.7396 41.4779 178.6083 143 I 3.4830 7.4969 119.4383 64.3892 37.1944 177.6010 144 D 4.2759 7.9890 118.3148 57.6286 40.9865 177.7730 145 C 4.4169 8.6186 120.7452 61.7474 31.3838 175.1989 146 C 3.9699 7.8337 120.4972 62.3867 31.0836 175.3694 147 I 3.6233 7.6239 120.8895 64.5757 36.4272 178.1772 148 R 3.7509 7.6959 119.0451 59.4363 29.7963 178.1283 149 E 4.0909 8.2493 117.7051 58.1015 29.5140 179.1705 150 V 3.6988 8.2272 119.6018 65.5904 32.0018 178.2144 151 K 4.3422 8.5896 120.4436 59.2495 32.0943 178.5641 152 E 4.0244 7.6987 119.6816 58.6939 29.4265 177.7510 153 E 4.1400 7.9687 119.6046 59.2656 29.6984 178.6730 154 I 3.9354 8.1474 119.9943 62.7046 37.4066 177.4854 155 G 4.4478 8.6150 106.8671 45.5922 0.0000 172.7938 156 F 4.6964 8.2002 121.4890 56.0194 41.9177 173.2466 157 D 4.7391 6.9268 125.6061 51.3459 41.1416 175.6954 158 L 4.8250 8.3602 122.3736 53.6585 42.4972 176.2245 159 T 4.1670 8.6309 114.6816 63.3527 69.5643 175.4471 160 D 4.6928 7.7727 119.4082 52.3959 39.8237 175.8469 161 Y 4.7258 7.8320 115.4882 57.8281 38.3170 174.7679 162 I 4.6425 7.4135 119.5026 58.8418 40.4717 175.0443 163 D 4.7075 8.7139 126.7895 54.3885 41.4871 176.3394 164 D 4.5551 8.8244 122.5852 56.1943 40.4709 176.7833 165 N 5.3254 8.0142 114.3734 51.3195 38.9455 175.0273 166 Q 4.7714 8.1156 119.2616 54.5750 32.3277 174.5494 167 F 4.3821 7.7668 120.2184 55.3283 41.1755 173.3643 168 I 3.9442 8.4318 112.4923 58.7515 40.7828 173.7406 169 E 5.0006 8.3033 124.1169 54.6842 32.6236 174.9967 170 R 4.5960 8.5152 124.7716 55.4776 34.3678 172.9948 171 N 5.3395 8.9320 123.8411 51.8347 40.4404 174.1278 172 I 4.4138 8.6179 125.4399 60.7044 39.2771 176.1709 173 Q 3.4149 9.7282 124.2218 57.0714 26.1309 175.2675 174 G 3.9354 8.2859 103.3583 45.7377 0.0000 173.8833 175 K 4.2774 8.2505 122.6641 55.1159 33.0114 174.8681 176 N 4.8925 8.7132 125.6589 53.6942 39.7088 173.3563 177 Y 4.3415 8.8879 126.7406 55.8676 41.7787 173.5137 178 K 4.7729 8.2591 128.1095 54.7819 35.2108 174.9848 179 I 5.6224 8.3684 125.9912 58.6646 41.6937 173.7526 180 F 4.6559 8.7979 129.2894 56.6261 40.9836 174.5374 181 L 4.5947 8.0788 127.3732 54.8241 42.1716 176.9998 182 I 4.8028 8.7142 116.9486 59.5684 39.3411 174.5433 183 S 4.9583 8.9584 121.0661 56.9597 65.9205 173.6998 184 G 4.1386 9.0325 108.1861 45.6348 0.0000 174.7752 185 V 3.6017 7.6563 112.9142 60.9920 32.3234 175.5182 186 S 4.8054 8.0254 117.0819 57.2953 64.7994 174.4650 187 E 4.5390 8.6438 120.2767 56.9201 29.7715 177.9885 188 V 3.6916 7.7598 118.9042 64.7308 31.9700 175.5286 189 F 4.3825 7.9243 120.9023 56.0411 40.7254 174.0175 190 N 4.6208 6.7057 123.9942 51.1650 38.4611 174.1174 191 F 5.0076 8.8071 121.7292 55.6119 40.7842 175.2455 192 K 4.7949 8.5139 124.2041 53.4735 35.5604 174.3058 193 P 4.5254 0.0000 0.0000 63.1930 31.9230 176.9268 194 Q 4.4574 8.1772 118.8398 54.1545 29.9926 174.3965 195 V 4.5292 7.4747 120.8170 60.7359 34.7860 174.9528 196 R 3.8757 8.6190 116.9743 56.4163 30.3822 175.7331 197 N 4.4475 8.5317 118.5514 54.6651 40.2074 172.9078 198 E 4.5875 8.3158 133.1823 56.2259 36.0782 177.7725 199 I 4.4014 8.8569 114.1830 59.1134 39.3282 174.3903 200 D 4.7679 8.5629 123.8685 51.3557 40.2707 174.8120 201 K 4.7616 8.2100 123.1615 54.6168 36.6793 175.1001 202 I 4.6233 8.5134 123.4880 59.4051 40.7616 174.6355 203 E 4.6617 8.6681 127.6484 54.8407 33.8397 174.1929 204 W 4.5903 9.1704 135.0000 56.3391 31.1872 174.7720 205 F 4.6126 8.6797 126.8023 55.5933 40.6777 175.5238 206 D 4.8216 8.5272 122.8816 53.7601 42.0934 176.6479 207 F 4.2566 8.5836 128.2159 61.3653 38.9812 177.5509 208 K 3.8658 8.0655 117.0610 59.6505 32.2555 178.7736 209 K 4.0795 7.8343 117.8369 59.7094 32.0226 179.5032 210 I 3.7425 7.7062 119.7057 64.2417 36.8226 178.3591 211 S 4.0616 7.8179 114.2917 60.0944 62.8765 175.5633 212 K 4.5157 7.5800 122.0135 56.4783 32.1711 177.9218 213 T 3.3871 7.4761 113.6341 65.5130 68.4258 174.6585 214 M 4.0956 8.1678 120.4951 58.5378 32.1545 177.3332 215 Y 4.4976 8.8407 118.3845 57.4360 38.3303 175.4855 216 K 4.1141 7.9188 118.2069 56.4799 33.0044 176.7726 217 S 4.6041 8.4474 114.2169 57.7719 66.4703 173.9511 218 N 4.8772 8.5682 113.7199 53.6084 38.4159 175.1591 219 I 4.4550 9.0992 112.3716 58.9898 40.4327 173.3680 220 K 4.4777 8.3451 125.8639 54.5824 35.7034 176.0925 221 Y 4.5167 6.4153 119.3043 56.0950 37.1724 175.6323 222 Y 4.0919 8.4015 125.7516 58.6988 38.6105 177.1793 223 L 3.3329 6.5216 121.8643 58.0850 41.7791 179.2393 224 I 3.8245 7.6253 117.5816 63.6396 37.7604 176.9787 225 N 4.3071 8.0932 117.1308 57.0862 38.7960 176.5387 226 S 4.3479 7.9090 114.8498 61.2422 63.1475 175.5600 227 M 4.4056 7.4452 118.4142 55.6235 31.9408 177.6613 228 M 4.2222 8.0928 120.6232 59.0279 32.3145 177.7612 229 R 4.0369 8.1952 117.9285 58.8341 30.2678 176.8950 230 P 4.3734 0.0000 0.0000 66.0344 31.3906 177.7806 231 L 3.9788 8.1442 121.2462 57.9036 41.8972 178.8526 232 S 3.9558 8.6059 112.9496 61.5767 62.1989 175.5835 233 M 4.0298 8.1582 120.5062 58.4713 32.1730 178.6665 234 W 4.0478 9.0845 118.8445 59.8197 29.1997 178.4008 235 L 3.8055 8.3267 120.3572 58.1848 41.1174 179.2233 236 R 3.8488 8.0809 117.8870 59.2333 30.2727 178.1282 237 H 4.2053 8.1878 118.1859 59.3495 29.6853 177.3052 238 Q 3.9410 8.0099 119.3748 59.0021 28.2956 178.7457 239 R 3.8468 7.4654 119.0289 59.3031 30.4606 178.3360 240 Q 4.0777 7.8019 117.9609 58.9977 28.4845 178.7469 241 I 3.7716 7.5293 119.2046 63.8972 37.2103 177.5806 242 K 3.9030 7.4293 120.3091 58.4517 31.9815 176.3659 243 N 4.4487 7.1969 115.0391 52.5342 37.5666 174.6226 244 E 3.8415 8.6432 121.5705 59.5611 30.0683 176.9380 *245 D 4.4435 7.3277 118.4781 53.2882 40.5709 178.7226 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 100 K 8.31 4.14 0.00 1.77 1.94 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 101 K 7.87 4.13 0.00 1.79 1.75 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.52 7.81 102 S 8.74 4.47 0.00 3.87 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 0.00 103 I 7.51 4.30 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.85 0.90 0.00 0.00 104 P 0.00 4.58 0.00 2.11 2.12 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 105 V 8.16 4.66 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 0.49 0.00 0.00 0.84 0.00 0.00 106 R 8.70 4.68 0.00 1.82 1.60 0.00 3.15 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 107 G 9.85 5.07 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 0.00 108 A 8.52 5.02 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 0.00 109 A 7.87 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.09 4.43 1.69 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.87 0.79 0.00 0.00 111 F 8.77 5.33 0.00 2.93 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.97 4.98 0.00 2.73 3.06 0.00 0.00 7.23 9.02 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 0.00 113 E 9.45 4.09 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 114 N 8.20 4.58 0.00 2.68 2.85 0.00 0.00 7.21 7.77 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 0.00 115 L 7.58 3.80 0.00 1.73 1.58 0.95 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.25 4.81 0.00 4.00 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 0.00 117 K 8.88 5.24 0.00 1.98 1.90 0.00 1.49 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.62 1.56 7.81 118 I 8.81 4.82 2.06 0.00 0.00 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 1.59 1.57 1.01 0.00 0.00 119 L 8.19 4.00 0.00 0.68 1.41 -0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.93 4.17 0.00 1.31 1.19 0.16 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.82 4.57 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 0.74 0.00 0.00 0.90 0.00 0.00 122 Q 8.23 4.09 0.00 1.51 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.54 0.00 0.00 0.00 0.00 0.00 1.92 1.59 0.00 123 G 7.48 4.05 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 0.00 0.00 0.00 124 T 8.35 3.60 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 1.20 0.00 0.00 125 E 7.15 4.23 0.00 1.68 1.83 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 2.28 2.37 0.00 126 S 8.79 4.09 0.00 3.81 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 0.00 127 D 9.04 4.62 0.00 2.71 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 0.00 128 S 6.67 4.60 0.00 3.73 3.60 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 0.00 129 W 7.87 4.78 0.00 1.79 2.39 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 0.00 130 S 8.11 4.23 0.00 3.57 3.63 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 0.00 131 F 8.55 4.69 0.00 3.02 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 0.00 132 P 0.00 4.69 0.00 2.14 2.20 0.00 4.13 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 133 R 7.63 5.47 0.00 1.50 1.84 0.00 3.31 0.00 0.00 3.93 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 134 G 7.82 4.05 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 0.00 0.00 0.00 135 K 8.49 5.07 0.00 1.74 1.78 0.00 1.12 0.00 0.00 0.61 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.24 7.81 136 I 7.99 4.49 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.85 0.00 0.00 137 S 8.34 4.18 0.00 4.06 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.28 4.32 0.00 1.67 1.67 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.49 7.81 139 D 8.61 4.48 0.00 2.85 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 0.00 140 E 7.70 4.64 0.00 1.90 1.67 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 2.22 2.23 0.00 141 N 8.60 4.37 0.00 2.84 2.64 0.00 0.00 6.68 8.48 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 0.00 142 D 8.79 4.32 0.00 2.61 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 0.00 143 I 7.50 3.48 1.79 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 1.35 0.58 0.78 0.00 0.00 144 D 7.99 4.28 0.00 2.73 2.73 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 0.00 145 C 8.62 4.42 0.00 3.05 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 0.00 146 C 7.83 3.97 0.00 3.00 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 0.00 147 I 7.62 3.62 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.92 0.85 0.00 0.00 148 R 7.70 3.75 0.00 1.79 2.00 0.00 3.05 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 149 E 8.25 4.09 0.00 2.06 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 2.39 2.41 0.00 150 V 8.23 3.70 2.25 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 1.17 0.00 0.00 0.89 0.00 0.00 151 K 8.59 4.34 0.00 1.97 2.01 0.00 1.50 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.52 7.81 152 E 7.70 4.02 0.00 2.06 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 2.31 2.31 0.00 153 E 7.97 4.14 0.00 2.18 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 2.31 2.41 0.00 154 I 8.15 3.94 2.11 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 1.50 0.80 1.13 0.00 0.00 155 G 8.62 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 8.20 4.70 0.00 3.02 3.15 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 0.00 0.00 0.00 157 D 6.93 4.74 0.00 2.60 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.36 4.83 0.00 1.72 1.87 1.05 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 159 T 8.63 4.17 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 0.00 160 D 7.77 4.69 0.00 2.50 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 0.00 161 Y 7.83 4.73 0.00 3.18 3.07 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 0.00 162 I 7.41 4.64 1.92 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 1.38 0.91 0.98 0.00 0.00 163 D 8.71 4.71 0.00 3.20 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 0.00 164 D 8.82 4.56 0.00 2.87 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 N 8.01 5.33 0.00 2.81 2.95 0.00 0.00 6.67 7.78 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 0.00 166 Q 8.12 4.77 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.79 0.00 0.00 0.00 0.00 0.00 2.58 2.67 0.00 167 F 7.77 4.38 0.00 2.49 1.45 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 0.00 0.00 0.00 0.00 168 I 8.43 3.94 1.42 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 0.93 0.60 -0.46 0.00 0.00 169 E 8.30 5.00 0.00 2.06 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 2.20 2.30 0.00 170 R 8.52 4.60 0.00 1.91 1.73 0.00 3.19 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 171 N 8.93 5.34 0.00 2.67 2.78 0.00 0.00 6.95 7.61 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 0.00 172 I 8.62 4.41 1.91 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.75 1.05 0.00 0.00 173 Q 9.73 3.41 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 5.98 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 174 G 8.29 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 K 8.25 4.28 0.00 1.81 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.42 7.81 176 N 8.71 4.89 0.00 2.77 2.71 0.00 0.00 6.83 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 Y 8.89 4.34 0.00 3.12 2.83 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 0.00 178 K 8.26 4.77 0.00 1.86 1.67 0.00 1.56 0.00 0.00 1.60 0.00 0.00 2.73 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.37 1.43 7.81 179 I 8.37 5.62 1.89 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 1.39 1.90 0.86 0.00 0.00 180 F 8.80 4.66 0.00 3.17 2.90 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 0.00 181 L 8.08 4.59 0.00 1.71 1.77 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 182 I 8.71 4.80 1.97 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 1.61 0.88 1.03 0.00 0.00 183 S 8.96 4.96 0.00 4.04 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 0.00 184 G 9.03 4.14 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 0.00 185 V 7.66 3.60 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 0.71 0.00 0.00 0.93 0.00 0.00 186 S 8.03 4.81 0.00 3.79 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 0.00 187 E 8.64 4.54 0.00 2.21 1.95 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 2.04 2.18 0.00 188 V 7.76 3.69 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 0.77 0.00 0.00 0.95 0.00 0.00 189 F 7.92 4.38 0.00 2.81 2.33 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 0.00 190 N 6.71 4.62 0.00 2.68 2.54 0.00 0.00 5.44 6.88 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 0.00 191 F 8.81 5.01 0.00 3.08 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 K 8.51 4.79 0.00 1.74 1.70 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.41 7.81 193 P 0.00 4.53 0.00 2.18 2.05 0.00 3.75 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 2.00 1.99 0.00 194 Q 8.18 4.46 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 195 V 7.47 4.53 2.07 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 0.87 0.00 0.00 0.96 0.00 0.00 196 R 8.62 3.88 0.00 1.82 1.88 0.00 3.25 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 197 N 8.53 4.45 0.00 2.67 2.76 0.00 0.00 6.76 7.64 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 0.00 198 E 8.32 4.59 0.00 1.89 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 2.13 2.27 0.00 199 I 8.86 4.40 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 0.85 0.00 0.00 200 D 8.56 4.77 0.00 2.71 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 0.00 201 K 8.21 4.76 0.00 1.83 1.81 0.00 1.87 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.42 7.81 202 I 8.51 4.62 1.90 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 1.36 0.75 0.99 0.00 0.00 203 E 8.67 4.66 0.00 1.81 1.77 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 2.39 2.07 0.00 204 W 9.17 4.59 0.00 3.61 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 0.00 205 F 8.68 4.61 0.00 2.93 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 0.00 206 D 8.53 4.82 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 F 8.58 4.26 0.00 3.53 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 0.00 208 K 8.07 3.87 0.00 1.80 1.89 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.88 7.81 209 K 7.83 4.08 0.00 2.06 2.00 0.00 1.51 0.00 0.00 1.43 0.00 0.00 2.85 0.00 0.00 2.21 0.00 0.00 0.00 0.00 1.42 1.44 7.81 210 I 7.71 3.74 1.60 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.05 0.87 0.00 0.00 211 S 7.82 4.06 0.00 3.91 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 K 7.58 4.52 0.00 1.92 1.82 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.58 7.81 213 T 7.48 3.39 4.20 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 0.00 0.00 0.00 1.07 0.00 0.00 214 M 8.17 4.10 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.55 0.00 215 Y 8.84 4.50 0.00 2.79 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 0.00 216 K 7.92 4.11 0.00 1.83 1.88 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.30 7.81 217 S 8.45 4.60 0.00 3.80 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 0.00 218 N 8.57 4.88 0.00 2.63 2.41 0.00 0.00 6.75 7.96 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 0.00 219 I 9.10 4.46 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.12 1.00 0.00 0.00 220 K 8.35 4.48 0.00 1.60 1.23 0.00 1.29 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 1.21 7.81 221 Y 6.42 4.52 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 Y 8.40 4.09 0.00 3.23 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 0.00 223 L 6.52 3.33 0.00 1.28 1.34 0.72 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 224 I 7.63 3.82 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.49 1.13 0.00 0.00 225 N 8.09 4.31 0.00 2.78 3.10 0.00 0.00 7.00 7.65 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 0.00 226 S 7.91 4.35 0.00 4.07 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 0.00 227 M 7.45 4.41 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 228 M 8.09 4.22 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.87 0.00 229 R 8.20 4.04 0.00 2.00 2.01 0.00 3.32 0.00 0.00 3.47 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 230 P 0.00 4.37 0.00 2.04 2.21 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.00 0.00 231 L 8.14 3.98 0.00 1.96 1.94 1.23 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 232 S 8.61 3.96 0.00 4.17 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 M 8.16 4.03 0.00 2.07 2.43 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.66 0.00 234 W 9.08 4.05 0.00 3.40 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 0.00 235 L 8.33 3.81 0.00 1.62 1.65 -0.11 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 236 R 8.08 3.85 0.00 2.03 1.94 0.00 3.37 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 237 H 8.19 4.21 0.00 3.07 3.34 0.00 5.79 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 0.00 238 Q 8.01 3.94 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.48 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 239 R 7.47 3.85 0.00 1.68 2.06 0.00 3.23 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 240 Q 7.80 4.08 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 241 I 7.53 3.77 1.91 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 1.55 0.65 0.88 0.00 0.00 242 K 7.43 3.90 0.00 1.69 1.96 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.48 7.81 243 N 7.20 4.45 0.00 2.89 2.88 0.00 0.00 6.91 6.84 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 0.00 244 E 8.64 3.84 0.00 1.94 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 2.29 2.30 0.00 *245 D 7.33 4.44 0.00 2.50 2.45 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.