NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5679 8.2227 120.3132 52.9449 41.0269 175.1511 4 I 3.4690 8.2503 117.4668 64.2417 37.4083 176.4268 5 N 4.3331 8.9475 117.3715 56.2740 39.0678 176.3996 6 E 4.9963 8.4932 121.3263 59.0216 29.6222 179.1417 7 I 3.8084 8.1305 120.3148 64.6821 37.0635 178.0984 8 R 4.1761 8.0205 114.8438 57.3586 30.0465 177.6400 9 E 4.1704 8.4690 119.5948 57.0849 29.7139 176.9579 10 Y 4.0888 7.8541 114.7409 57.3617 40.0924 175.6918 11 L 4.6864 7.6551 119.2022 52.1676 43.6904 174.7163 12 P 4.4224 0.0000 0.0000 64.4314 32.0755 176.4187 13 H 4.2070 8.3789 116.0600 56.6399 29.1540 174.1652 14 R 4.7714 8.1966 119.8780 54.3058 34.4012 173.6492 15 Y 4.3750 8.6767 119.9599 57.8881 39.1635 174.4756 16 P 4.1133 0.0000 0.0000 62.5408 31.5933 175.1660 17 F 4.3407 8.8838 116.6049 58.7124 40.3735 173.6419 18 L 4.6571 8.1410 121.4324 53.3414 41.8508 176.1689 19 L 4.6487 9.0364 130.3179 53.9610 42.2169 177.8528 20 V 4.1945 7.5060 118.2145 61.6586 33.2732 173.9629 21 D 4.5288 8.5792 128.0231 55.6941 41.5472 177.0948 22 R 4.0685 6.8607 115.7588 55.2884 32.4929 173.2298 23 V 4.4382 8.1131 124.0417 61.2265 32.2192 175.6342 24 V 3.9600 8.3645 121.8445 63.9679 32.6201 176.8394 25 E 4.5286 8.5317 121.4102 54.8472 33.3470 173.9046 26 L 4.7446 8.6025 129.0848 53.4348 43.5066 174.7159 27 D 4.6370 8.5991 126.5607 52.2770 39.7214 176.2426 28 I 3.7652 8.1182 123.5453 63.2943 38.7276 177.1719 29 E 4.1177 8.2825 119.3021 59.2183 29.4183 178.1479 30 G 4.1807 8.2649 104.2824 45.1152 0.0000 172.9603 31 K 3.8895 8.1283 119.3767 56.8668 29.8842 174.3173 32 R 5.2392 7.2614 113.7412 55.1887 33.7963 174.9778 33 I 5.0736 9.0181 119.4320 59.5679 42.3781 173.9270 34 R 5.1500 9.2828 125.6419 54.6243 33.8053 174.4643 35 A 4.9630 9.0959 124.9648 51.4546 23.6173 173.5794 36 Y 5.3034 8.6655 115.6341 56.0798 42.3036 173.9220 37 K 5.0316 9.2218 120.8155 54.6914 35.4190 174.6442 38 N 5.0169 9.9918 126.0938 53.0136 39.5999 174.8151 39 V 4.4658 8.6211 124.8728 61.9545 32.6773 174.5771 40 S 5.0629 9.1692 122.9033 56.3013 64.8591 174.1484 41 I 3.3888 8.3004 124.1424 63.3094 38.0890 175.6916 42 N 4.6220 7.6381 118.7868 54.1879 38.7702 174.1638 43 E 4.7329 7.9420 115.8781 53.1909 31.8552 175.9367 44 P 4.2946 0.0000 0.0000 65.2673 31.8159 177.4530 45 F 4.4372 7.2993 113.4091 58.5343 38.8639 177.6758 46 F 4.3625 7.1243 120.7285 60.8208 38.4008 177.0083 47 N 4.5176 8.4279 114.4329 55.6709 38.3823 176.3521 48 G 4.1370 7.8664 104.1073 44.3498 0.0000 173.7523 49 H 3.7986 8.0489 120.4991 54.0638 30.3380 171.5545 50 F 5.1885 9.1387 121.4395 54.0198 43.2404 172.9949 51 P 4.3915 0.0000 0.0000 64.2740 31.3212 176.8385 52 E 3.9266 10.1444 122.5507 56.8348 28.8789 174.6967 53 H 5.0048 8.1535 114.6116 54.6163 31.0002 169.0807 54 P 4.9541 0.0000 0.0000 61.9521 31.8842 175.2265 55 I 4.7852 8.9820 128.9260 60.2450 41.9691 175.7446 *57 P 3.6388 0.0000 0.0000 62.9054 32.0587 176.7352 58 G 3.0791 8.3874 110.5480 47.8388 0.0000 176.2807 59 V 3.7106 7.5895 114.0133 64.1366 31.5110 178.3620 60 L 3.7575 7.5206 118.6702 57.1906 41.1186 179.4512 61 I 3.6863 7.4994 119.5536 64.2183 37.1225 178.0748 62 I 3.7443 7.6964 119.0736 64.3658 37.3212 177.4132 63 E 3.8875 8.2278 119.9869 59.1006 29.4129 179.5303 64 A 3.7716 8.0734 118.2737 52.5738 18.2256 178.9230 *66 A 4.0086 8.0225 125.9357 53.7496 20.7352 180.1872 67 Q 3.9383 7.9131 114.6881 58.5439 28.4816 178.6889 68 A 3.7884 7.7588 121.6416 54.9841 18.3925 179.3575 69 A 3.4750 7.6559 118.8662 55.0593 18.2327 179.5620 70 G 3.1815 7.7853 104.4590 48.0459 0.0000 175.7053 71 I 3.8627 7.5259 122.0963 63.9287 36.8944 178.1446 72 L 3.9422 7.2210 120.0270 58.0773 41.9746 178.8875 73 G 3.0753 7.4110 104.1897 47.8238 0.0000 175.0037 74 F 4.6784 7.7234 121.1158 59.8944 39.3130 177.9905 75 K 4.4075 8.1730 120.1725 56.1628 31.6945 177.8053 *77 L 4.2321 7.6763 114.6798 53.2135 43.7374 177.1826 78 D 4.3403 7.6651 115.5979 55.2729 39.4337 173.5637 79 V 4.4590 8.6268 118.0389 61.4310 33.3492 175.2115 80 K 4.1828 7.8556 128.2471 56.5725 32.2542 178.1555 *83 D 4.4545 8.6021 130.2287 55.7930 41.6811 173.0532 84 G 4.2081 8.8016 104.1232 47.2893 0.0000 173.4279 85 T 3.6822 6.6962 108.6111 56.2243 71.0825 171.7985 86 L 5.4688 8.0518 123.8491 54.3910 44.6618 175.4284 87 Y 4.3240 8.7693 117.0468 56.5360 37.0943 173.2415 88 Y 4.3246 8.5285 123.9286 57.5898 40.2012 174.3078 89 F 4.4662 9.0344 130.0978 59.4692 39.4729 174.8425 90 V 3.7729 8.6679 119.5180 60.3571 33.1440 175.9182 91 G 3.6758 6.5341 106.4803 47.0605 0.0000 171.3218 92 S 5.0824 7.8022 109.2310 58.6974 64.4434 176.3717 93 D 4.5219 8.5309 125.1047 56.4888 41.1568 176.8686 94 K 4.6972 7.6624 118.8629 54.5996 35.8352 174.8699 95 L 4.8301 8.3480 127.4488 53.9234 45.4027 174.8567 96 R 4.7488 8.5948 123.2737 54.7252 34.9640 173.9434 97 F 4.7774 8.8126 119.2858 56.9373 41.8856 173.4249 98 R 4.5303 9.4862 118.4382 55.3778 31.7855 176.0082 99 Q 4.6795 8.3084 120.2646 53.6560 31.5247 174.6039 100 P 4.4246 0.0000 0.0000 62.9559 32.0369 175.6146 101 V 4.4390 8.0895 119.0118 61.5796 33.0709 174.9944 102 L 5.0439 8.8482 124.7964 51.8177 45.5223 174.3308 103 P 4.3707 0.0000 0.0000 64.5998 31.5877 175.9899 104 G 4.0938 9.0974 110.7247 45.7145 0.0000 173.9050 105 D 4.5788 8.2866 119.0081 54.2842 42.4522 175.7633 106 Q 4.4028 8.3451 121.2247 53.9718 30.7845 174.4476 107 L 4.1595 8.8009 130.0324 55.0657 43.2771 175.6227 108 Q 4.6946 9.4933 127.3461 55.1882 30.2732 174.9213 109 L 5.1511 9.4428 125.1234 53.2717 44.5200 175.2422 110 H 5.4947 9.4076 120.3154 53.9846 32.5505 172.4444 111 A 5.0863 8.9171 124.1398 49.9901 22.6615 174.4888 112 K 4.8635 9.0269 123.5794 54.1071 34.9409 175.1949 113 F 4.2487 9.5518 131.1977 59.3175 39.4686 173.4449 114 I 4.0811 6.5373 124.6278 61.6886 39.0155 175.8796 115 S 4.1337 6.1115 113.1743 58.1934 66.2279 173.6039 116 V 4.6410 7.7792 118.5173 62.2859 32.1774 173.1048 117 K 4.2792 8.2514 126.2430 55.6458 33.9262 176.8881 118 R 3.8904 8.9941 123.1644 56.8945 28.3333 175.9803 119 S 3.9816 8.0951 107.7603 58.4927 61.1248 168.5915 120 I 4.6641 7.2945 122.5043 60.3199 38.5946 174.8271 121 W 5.0555 9.9875 128.3065 55.5923 31.1445 175.8129 122 K 5.1590 8.3065 121.8714 54.7293 35.1198 175.3507 123 F 5.0762 9.7574 122.4582 55.6638 43.8704 173.6187 124 D 5.0177 9.0577 120.9581 53.1452 42.8114 174.6291 125 C 5.6122 8.9415 123.9627 58.5627 31.7619 173.0832 126 H 5.3017 9.3181 117.5426 54.1910 33.3347 172.2542 127 A 5.3778 9.4770 123.6525 50.5399 22.3051 175.2431 128 T 5.0450 9.0206 110.3772 60.2443 73.0779 172.8063 129 V 4.5021 8.4376 122.2671 61.8752 34.7985 175.3267 130 D 4.4711 9.7347 126.8399 55.5815 38.4285 174.6349 131 D 4.5149 8.0931 115.1486 54.7155 40.3799 174.7773 132 K 4.3482 8.0470 120.4401 54.4709 33.0494 174.6137 133 P 4.6732 0.0000 0.0000 62.9836 32.1087 175.8343 134 V 4.3508 8.5975 121.0565 64.3392 34.3074 174.7012 135 C 5.1356 7.7302 117.9157 58.3754 35.0089 172.8472 136 S 4.9862 8.1320 117.3777 56.9613 66.4557 172.6313 137 A 4.6833 8.3415 121.0184 52.0006 23.3672 175.0127 138 E 4.7735 8.2564 121.2048 54.9406 31.2279 174.8080 139 I 4.5360 8.5577 129.0484 60.5697 39.2258 175.0756 140 I 5.1489 8.7168 127.2183 59.9348 39.6958 174.4972 141 C 5.5970 9.6842 124.5298 57.9094 32.2808 173.3132 142 A 5.2320 8.7562 122.4159 50.0241 21.0042 175.6858 143 E 3.6694 8.3183 121.9660 57.9979 29.7948 176.6694 144 R 4.5803 8.2071 121.0290 55.4029 35.7282 173.7381 145 K 4.4071 8.3419 122.9958 54.6848 33.1517 175.5965 146 L 4.1515 8.5233 126.4987 57.6842 41.4971 175.5698 147 G 3.5506 9.2876 115.5309 45.6196 0.0000 173.0163 148 S 4.2066 7.8873 119.4707 58.7897 62.2554 173.8116 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 3 D 8.22 4.57 0.00 2.91 2.91 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 4 I 8.25 3.47 1.85 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 1.64 1.44 0.91 0.00 0.00 5 N 8.95 4.33 0.00 2.89 2.86 0.00 0.00 6.92 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.49 5.00 0.00 2.23 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 2.39 2.24 0.00 7 I 8.13 3.81 2.07 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 1.50 1.08 0.91 0.00 0.00 8 R 8.02 4.18 0.00 1.76 1.96 0.00 3.17 0.00 0.00 3.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 9 E 8.47 4.17 0.00 1.98 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.40 0.00 10 Y 7.85 4.09 0.00 2.94 2.98 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 11 L 7.66 4.69 0.00 1.63 1.63 0.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.42 0.00 2.16 2.28 0.00 3.97 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 13 H 8.38 4.21 0.00 3.17 3.59 0.00 5.84 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.20 4.77 0.00 1.83 1.87 0.00 3.35 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.57 0.00 15 Y 8.68 4.38 0.00 2.96 2.92 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 16 P 0.00 4.11 0.00 1.80 0.87 0.00 3.72 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 17 F 8.88 4.34 0.00 2.85 3.04 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 18 L 8.14 4.66 0.00 1.69 1.64 0.98 1.01 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 19 L 9.04 4.65 0.00 1.44 1.49 0.39 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.51 4.19 2.02 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 0.73 0.00 0.00 0.85 0.00 0.00 21 D 8.58 4.53 0.00 2.65 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 6.86 4.07 0.00 1.41 0.66 0.00 3.15 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.39 0.00 23 V 8.11 4.44 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 0.87 0.00 0.00 0.85 0.00 0.00 24 V 8.36 3.96 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 0.92 0.00 0.00 1.04 0.00 0.00 25 E 8.53 4.53 0.00 2.02 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 26 L 8.60 4.74 0.00 1.57 1.49 0.87 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.60 4.64 0.00 2.86 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.12 3.77 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 1.41 0.92 0.91 0.00 0.00 29 E 8.28 4.12 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 30 G 8.26 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 31 K 8.13 3.89 0.00 2.18 2.04 0.00 1.79 0.00 0.00 1.40 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.55 7.81 32 R 7.26 5.24 0.00 2.00 2.04 0.00 2.92 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 33 I 9.02 5.07 1.84 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 1.19 1.51 0.98 0.00 0.00 34 R 9.28 5.15 0.00 1.70 1.80 0.00 3.07 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.48 0.00 35 A 9.10 4.96 1.18 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 36 Y 8.67 5.30 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 37 K 9.22 5.03 0.00 1.91 1.70 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.51 1.61 7.81 38 N 9.99 5.02 0.00 2.86 2.84 0.00 0.00 6.95 7.90 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 39 V 8.62 4.47 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 1.15 0.00 0.00 1.05 0.00 0.00 40 S 9.17 5.06 0.00 3.93 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 41 I 8.30 3.39 1.64 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.91 0.84 0.00 0.00 42 N 7.64 4.62 0.00 2.65 2.79 0.00 0.00 7.05 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 7.94 4.73 0.00 1.48 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 2.23 2.36 0.00 44 P 0.00 4.29 0.00 2.17 2.26 0.00 3.66 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 1.92 1.83 0.00 45 F 7.30 4.44 0.00 3.02 3.18 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 46 F 7.12 4.36 0.00 3.09 2.98 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 47 N 8.43 4.52 0.00 2.70 2.94 0.00 0.00 6.74 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 48 G 7.87 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 49 H 8.05 3.80 0.00 2.84 2.94 0.00 5.53 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 9.14 5.19 0.00 3.19 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 51 P 0.00 4.39 0.00 2.10 2.05 0.00 3.94 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.42 0.00 52 E 10.14 3.93 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.24 0.00 53 H 8.15 5.00 0.00 3.32 3.21 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.95 0.00 1.43 1.82 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.83 0.00 55 I 8.98 4.79 2.23 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 1.40 1.07 1.07 0.00 0.00 *57 P 0.00 3.64 0.00 1.57 1.53 0.00 2.43 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.27 0.00 58 G 8.39 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 0.00 0.00 0.00 59 V 7.59 3.71 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 0.83 0.00 0.00 0.81 0.00 0.00 60 L 7.52 3.76 0.00 1.38 1.22 -0.33 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.50 3.69 2.26 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.62 0.98 0.00 0.00 62 I 7.70 3.74 2.01 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.85 0.69 0.00 0.00 63 E 8.23 3.89 0.00 2.08 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 2.14 2.30 0.00 64 A 8.07 3.77 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 *66 A 8.02 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 7.91 3.94 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 2.04 2.36 0.00 68 A 7.76 3.79 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 69 A 7.66 3.48 0.18 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 70 G 7.79 3.18 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 71 I 7.53 3.86 1.93 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 1.46 1.03 0.75 0.00 0.00 72 L 7.22 3.94 0.00 1.49 1.82 0.95 1.42 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 73 G 7.41 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 0.00 0.00 0.00 74 F 7.72 4.68 0.00 3.41 3.53 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 75 K 8.17 4.41 0.00 1.83 1.76 0.00 1.24 0.00 0.00 0.61 0.00 0.00 2.79 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.24 1.43 7.81 *77 L 7.68 4.23 0.00 1.89 1.86 1.29 1.30 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 78 D 7.67 4.34 0.00 2.85 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 79 V 8.63 4.46 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 1.12 0.00 0.00 1.14 0.00 0.00 80 K 7.86 4.18 0.00 1.66 0.82 0.00 1.72 0.00 0.00 1.44 0.00 0.00 2.82 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.05 1.19 7.81 *83 D 8.60 4.45 0.00 2.69 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 84 G 8.80 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 0.00 0.00 0.00 85 T 6.70 3.68 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 86 L 8.05 5.47 0.00 2.32 2.02 1.12 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.77 4.32 0.00 2.67 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.53 4.32 0.00 3.03 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 89 F 9.03 4.47 0.00 2.92 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 90 V 8.67 3.77 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 0.67 0.00 0.00 0.95 0.00 0.00 91 G 6.53 3.68 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 0.00 0.00 0.00 92 S 7.80 5.08 0.00 3.96 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 93 D 8.53 4.52 0.00 2.67 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 94 K 7.66 4.70 0.00 1.75 1.55 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.40 7.81 95 L 8.35 4.83 0.00 1.57 1.44 0.45 0.94 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 96 R 8.59 4.75 0.00 1.73 1.67 0.00 3.15 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 97 F 8.81 4.78 0.00 2.91 2.93 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 98 R 9.49 4.53 0.00 1.81 1.77 0.00 3.32 0.00 0.00 3.31 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 99 Q 8.31 4.68 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 100 P 0.00 4.42 0.00 2.26 2.14 0.00 3.78 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 2.03 1.99 0.00 101 V 8.09 4.44 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 0.98 0.00 0.00 0.99 0.00 0.00 102 L 8.85 5.04 0.00 1.71 1.50 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.37 0.00 1.83 1.66 0.00 3.53 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.84 0.00 104 G 9.10 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 0.00 0.00 0.00 105 D 8.29 4.58 0.00 2.80 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 0.00 106 Q 8.35 4.40 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 7.03 0.00 0.00 0.00 0.00 0.00 1.93 2.14 0.00 107 L 8.80 4.16 0.00 1.88 1.73 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 9.49 4.69 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.60 0.00 109 L 9.44 5.15 0.00 1.65 1.54 0.88 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 110 H 9.41 5.49 0.00 3.17 3.17 0.00 5.57 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 0.00 111 A 8.92 5.09 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 0.00 112 K 9.03 4.86 0.00 1.89 1.73 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.42 7.81 113 F 9.55 4.25 0.00 3.19 3.20 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 0.00 114 I 6.54 4.08 1.66 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 1.14 0.79 0.66 0.00 0.00 115 S 6.11 4.13 0.00 3.63 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.78 4.64 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 0.00 0.00 0.23 0.00 0.00 0.08 0.00 0.00 117 K 8.25 4.28 0.00 1.78 1.68 0.00 1.50 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.37 7.81 118 R 8.99 3.89 0.00 1.94 2.06 0.00 3.50 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 119 S 8.10 3.98 0.00 4.36 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 0.00 120 I 7.29 4.66 2.06 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 1.43 1.11 0.98 0.00 0.00 121 W 9.99 5.06 0.00 3.59 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 0.00 122 K 8.31 5.16 0.00 1.45 1.57 0.00 1.51 0.00 0.00 1.77 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.31 7.81 123 F 9.76 5.08 0.00 2.94 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 0.00 124 D 9.06 5.02 0.00 2.80 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 0.00 125 C 8.94 5.61 0.00 2.83 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 0.00 126 H 9.32 5.30 0.00 3.06 3.10 0.00 5.75 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 0.00 127 A 9.48 5.38 1.17 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 0.00 0.00 128 T 9.02 5.05 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 129 V 8.44 4.50 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.96 0.00 0.00 130 D 9.73 4.47 0.00 2.80 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 0.00 131 D 8.09 4.51 0.00 2.85 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 0.00 132 K 8.05 4.35 0.00 1.99 1.72 0.00 1.55 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.42 7.81 133 P 0.00 4.67 0.00 2.19 2.06 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 134 V 8.60 4.35 2.23 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 1.13 0.00 0.00 1.01 0.00 0.00 135 C 7.73 5.14 0.00 3.04 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 0.00 136 S 8.13 4.99 0.00 3.73 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 0.00 137 A 8.34 4.68 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 0.00 138 E 8.26 4.77 0.00 2.05 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 2.44 2.32 0.00 139 I 8.56 4.54 2.03 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 1.26 0.75 1.13 0.00 0.00 140 I 8.72 5.15 1.97 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 1.27 0.90 1.00 0.00 0.00 141 C 9.68 5.60 0.00 3.20 3.06 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 0.00 142 A 8.76 5.23 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 0.00 143 E 8.32 3.67 0.00 1.96 1.97 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 2.29 2.10 0.00 144 R 8.21 4.58 0.00 1.80 1.67 0.00 3.21 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 145 K 8.34 4.41 0.00 1.77 1.65 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.44 7.81 146 L 8.52 4.15 0.00 1.66 1.61 0.92 0.99 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 0.00 147 G 9.29 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.89 4.21 0.00 3.89 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 * Residues marked with a * may have inaccurate shift predictions.