NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.4131 8.1733 120.0834 56.3119 34.3842 174.4527 5 T 5.0642 7.8778 115.8503 59.9357 73.0489 171.4053 6 I 4.7788 9.5312 120.3672 59.2037 40.9281 174.4173 7 S 4.9151 8.7570 122.9366 58.3361 63.9502 173.7197 8 R 4.8140 8.5334 120.7274 55.2548 35.1701 174.1229 9 T 5.0068 8.4470 111.7731 60.0017 71.3209 172.9873 10 I 4.3794 8.6685 121.2699 59.4397 39.2476 175.0879 11 E 4.8823 8.8337 126.4691 54.4152 31.5833 178.1498 12 S 4.4948 8.5571 114.9690 58.9741 62.8976 176.5065 *18 Q 3.7268 8.7693 111.3674 54.4895 28.9322 171.9955 19 P 4.4366 0.0000 0.0000 63.0476 32.7891 176.5192 20 T 4.6804 8.3233 115.8204 63.3795 70.0602 173.9574 21 L 5.2891 8.5683 124.3149 53.1665 45.2219 175.1667 22 D 5.1805 8.9434 122.8442 53.2893 43.3387 176.1954 23 V 4.8376 8.3845 122.1732 60.9205 34.6911 173.5838 24 I 4.7312 8.3014 129.5304 60.2703 38.8707 175.0301 25 A 5.6171 8.5712 127.9456 49.7763 22.3683 174.6408 26 T 4.8324 8.7657 119.6261 61.8576 70.5780 174.2461 27 L 4.6873 8.6601 125.6972 54.1445 43.9846 173.1962 28 P 4.3487 0.0000 0.0000 62.1061 32.1266 175.4852 29 A 4.1240 8.9280 125.4673 53.2928 19.5895 180.1814 30 D 3.8583 8.2381 108.3824 52.6266 41.6286 179.6565 *34 K 4.2629 9.1289 121.1798 55.6329 34.0765 174.9887 35 K 4.2698 7.9376 115.5523 57.1682 32.6954 176.5199 36 I 3.9351 7.6097 120.3935 60.3819 36.8297 173.7043 37 P 4.8826 0.0000 0.0000 62.2946 32.6502 176.1634 38 I 4.1789 8.4856 123.1795 61.4240 38.6098 174.8545 39 S 5.2272 9.3906 121.1369 56.4812 65.6540 172.4600 40 L 4.8083 9.6445 128.6846 53.4548 44.8323 174.8258 41 V 4.6306 9.0175 128.1441 61.8964 33.5073 175.3968 42 V 5.2693 8.3093 127.4293 60.5339 34.6970 173.9014 43 G 3.6479 8.0189 111.2663 41.9981 0.0000 171.0969 44 F 5.0454 7.8181 118.5776 57.2209 39.1585 176.0921 45 K 4.2735 8.8839 125.4049 56.6626 32.9818 175.8547 46 Q 4.5318 8.3891 123.8481 54.5048 32.0141 174.8897 47 E 4.3026 8.3078 124.7240 54.7591 29.6457 174.3763 *52 S 4.3888 7.6609 117.7993 56.6714 64.8713 176.4088 53 S 4.5323 7.3879 118.3117 57.2721 65.9652 173.2720 54 S 4.9092 8.4340 114.2468 57.8110 63.8142 174.2082 55 S 4.8423 8.9808 118.2191 56.3040 66.4169 172.3977 56 L 4.5240 8.3299 122.8324 54.4946 42.1379 175.8778 57 S 4.7337 8.6879 122.4472 60.2645 64.8671 174.6741 58 C 5.0067 7.9837 118.6654 58.5030 35.1345 172.0805 59 Y 5.6657 9.2031 127.5334 56.5027 41.3431 173.5758 60 Y 4.9406 8.7663 125.0218 56.5477 43.0654 172.7401 61 Y 5.1868 8.2265 125.2938 56.1335 42.8274 173.7441 62 A 4.7070 7.3165 123.7458 51.1370 23.3921 175.0311 63 I 4.6183 8.3803 119.4134 58.9221 41.8237 172.4161 64 P 4.8468 0.0000 0.0000 62.0703 32.5520 175.8274 65 L 4.2650 7.9252 121.2032 55.0983 42.3328 177.0297 66 M 4.3952 8.4108 121.5652 54.4396 33.1849 176.4649 67 R 4.2794 8.3331 114.4269 56.8626 29.8388 177.8760 68 D 4.8261 7.8276 118.7995 51.7641 39.1439 174.3166 69 R 4.1270 7.8447 129.1456 57.5790 37.4215 176.8085 *78 S 4.1949 9.2270 116.9472 58.5527 63.8636 171.6499 79 N 4.7598 7.8933 116.9318 53.5233 40.1174 174.9274 80 V 4.6165 8.0000 118.8539 60.4314 35.2524 174.7444 81 V 4.5247 8.6645 119.6316 60.5338 34.7868 174.1464 82 G 4.3372 8.4229 108.0531 46.1624 0.0000 172.0051 83 I 4.5554 7.9574 119.5090 58.2271 42.0337 172.0870 84 P 3.9139 0.0000 0.0000 63.0221 30.9452 176.0177 85 L 3.9978 8.4225 125.3157 57.0563 42.2644 177.5196 86 L 4.6486 7.9603 123.8536 53.2156 44.4513 175.4297 87 D 5.2799 8.6847 126.6041 54.1984 42.8419 174.5337 88 T 4.7355 8.0649 112.6612 60.5376 70.1459 173.5671 89 K 4.0829 8.6150 124.8399 58.7455 32.7050 177.5709 90 D 4.6548 8.3463 119.6478 53.1698 42.0197 176.5085 91 D 4.3681 8.6826 127.4379 57.5375 40.9598 178.8022 92 R 3.8628 8.1018 117.9970 59.3558 30.0579 179.0550 93 I 3.4545 7.6173 118.9460 64.4251 37.0960 177.7989 94 R 3.8799 7.8838 119.2121 59.7957 29.8455 177.8931 95 D 4.2007 8.5031 118.4896 57.6828 40.9203 178.9260 96 M 3.7998 8.0532 118.1305 58.6588 32.1311 178.2423 97 A 3.9579 8.1433 121.3102 54.9809 18.4931 179.4247 98 R 2.5502 8.2881 118.4996 59.1887 30.1095 177.8306 99 H 3.8561 8.4870 118.1840 59.8402 29.9484 176.8110 100 M 4.0058 8.1670 119.3399 58.3633 31.9741 178.0195 101 A 4.0526 7.5976 121.0490 55.0979 18.8926 179.2088 102 T 3.7799 8.1630 114.6937 67.3126 68.5465 176.6865 103 I 3.6928 7.8444 121.0341 64.3031 37.1603 178.4976 104 I 3.8731 7.6429 120.4211 64.6596 36.4915 178.4496 105 S 4.6325 8.1355 115.0931 60.7932 61.8877 175.7152 106 E 3.8816 8.1567 122.0524 59.4178 29.2221 178.7579 107 R 3.9365 8.0152 117.1335 58.1789 30.2192 177.2587 108 F 4.4403 8.3198 115.4038 56.1297 40.4141 175.2680 109 N 4.1714 7.7148 115.7273 54.0229 37.8699 173.1522 110 R 4.9327 7.7689 117.8464 53.8586 35.8938 174.9134 111 P 4.7965 0.0000 0.0000 62.6468 33.0834 174.8463 112 C 5.4695 8.6159 115.3392 56.9938 33.6645 172.0893 113 Y 5.2524 9.3000 119.0827 56.4443 40.1691 174.7929 114 V 5.0166 9.2316 124.3903 61.4641 34.8804 174.0486 115 T 5.2971 9.3719 124.6482 61.7092 71.2204 173.0997 116 W 5.2120 9.0092 135.0000 56.1513 31.9407 175.6204 117 S 4.7490 7.6089 121.9503 57.5774 65.0080 173.2207 118 S 4.7280 9.0796 116.9729 56.5569 66.5975 173.7524 119 L 4.1581 9.1206 124.1996 54.7914 42.2553 176.9645 120 P 3.7860 0.0000 0.0000 64.4483 32.1852 176.5618 121 S 4.6361 7.1493 111.5432 59.0978 63.0199 173.4393 122 E 3.6658 7.9291 118.1036 54.2767 28.9404 176.0191 123 D 4.6618 8.8036 126.5596 52.8760 42.6393 174.6380 124 P 4.3118 0.0000 0.0000 66.2773 31.8836 178.2688 125 S 4.1490 9.1140 114.3744 62.2847 62.3972 176.6092 126 M 4.0691 7.8700 120.9276 58.6248 31.5799 179.0571 127 L 4.0071 8.2512 118.7715 57.8809 41.7500 179.3587 128 V 3.5436 7.8593 115.9676 66.1798 31.4927 177.4100 129 A 4.2752 8.4826 118.8639 53.7761 18.4989 177.5655 130 N 5.0461 7.4752 112.5498 52.5845 39.8594 175.5946 131 H 3.5833 7.9264 116.4314 60.4451 29.7780 176.4160 132 L 4.0371 7.9549 119.4711 58.0616 41.8085 179.1118 133 Y 4.1648 8.0007 118.8389 60.7984 38.9425 177.7478 134 I 3.4059 8.0085 120.9903 64.0790 37.1271 177.7735 135 L 3.8500 7.5416 120.6694 58.2645 41.8424 178.8899 136 K 3.8411 7.7655 118.5426 59.6959 32.0782 178.8590 137 K 4.2092 7.9389 117.9444 58.7225 31.8451 179.1836 138 C 4.1412 7.9184 117.5183 62.3282 28.3625 175.5547 139 L 4.1115 8.4685 120.9434 58.2107 41.1984 179.2669 140 D 4.4163 8.5233 118.8476 57.4271 40.6946 178.7053 141 L 3.9207 7.6748 120.6114 58.1055 42.2603 178.6076 142 L 3.7477 7.7628 118.7984 57.8499 41.2567 179.3795 143 K 4.1983 8.7492 119.4895 60.2017 31.8315 178.5365 144 T 3.9578 8.0048 114.6161 66.8863 68.6107 176.0390 145 E 4.2581 8.3620 117.6609 58.2700 29.5648 176.7130 146 L 4.6189 9.1151 116.1539 52.5191 45.2745 176.7887 147 G 3.7337 7.9069 114.1761 46.5729 0.0000 171.8035 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 4 K 8.17 4.41 0.00 1.71 2.13 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.48 7.81 5 T 7.88 5.06 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 1.19 0.00 0.00 6 I 9.53 4.78 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 1.37 0.72 0.90 0.00 0.00 7 S 8.76 4.92 0.00 3.76 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 8 R 8.53 4.81 0.00 1.71 1.76 0.00 3.22 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 9 T 8.45 5.01 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 1.26 0.00 0.00 10 I 8.67 4.38 1.90 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 1.26 0.70 0.92 0.00 0.00 11 E 8.83 4.88 0.00 1.91 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 2.29 2.26 0.00 12 S 8.56 4.49 0.00 3.90 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 *18 Q 8.77 3.73 0.00 1.86 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 1.57 2.10 0.00 19 P 0.00 4.44 0.00 2.07 1.92 0.00 3.71 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.00 0.00 20 T 8.32 4.68 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 1.27 0.00 0.00 21 L 8.57 5.29 0.00 1.70 1.56 1.28 1.18 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 22 D 8.94 5.18 0.00 2.54 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.38 4.84 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 1.31 0.00 0.00 0.92 0.00 0.00 24 I 8.30 4.73 1.83 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 1.24 0.34 0.88 0.00 0.00 25 A 8.57 5.62 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 26 T 8.77 4.83 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 1.20 0.00 0.00 27 L 8.66 4.69 0.00 1.52 1.57 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.35 0.00 2.06 2.03 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 29 A 8.93 4.12 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 30 D 8.24 3.86 0.00 2.83 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 0.00 0.00 0.00 *34 K 9.13 4.26 0.00 1.77 1.94 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.56 7.81 35 K 7.94 4.27 0.00 1.81 1.88 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.47 7.81 36 I 7.61 3.94 1.90 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 1.49 0.37 0.93 0.00 0.00 37 P 0.00 4.88 0.00 2.51 2.34 0.00 3.84 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 38 I 8.49 4.18 1.88 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 0.97 0.59 0.86 0.00 0.00 39 S 9.39 5.23 0.00 3.87 3.70 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 40 L 9.64 4.81 0.00 1.77 1.57 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 V 9.02 4.63 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 0.81 0.00 0.00 0.88 0.00 0.00 42 V 8.31 5.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.96 0.00 0.00 43 G 8.02 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 44 F 7.82 5.05 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 45 K 8.88 4.27 0.00 2.07 1.91 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.41 7.81 46 Q 8.39 4.53 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 47 E 8.31 4.30 0.00 1.91 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 *52 S 7.66 4.39 0.00 3.89 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.39 4.53 0.00 3.92 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.43 4.91 0.00 3.82 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 55 S 8.98 4.84 0.00 3.83 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 56 L 8.33 4.52 0.00 1.58 1.56 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.69 4.73 0.00 4.23 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 58 C 7.98 5.01 0.00 3.13 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 59 Y 9.20 5.67 0.00 3.08 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 60 Y 8.77 4.94 0.00 3.14 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.23 5.19 0.00 2.58 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 62 A 7.32 4.71 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 63 I 8.38 4.62 1.47 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 1.23 1.41 0.82 0.00 0.00 64 P 0.00 4.85 0.00 2.08 1.99 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 65 L 7.93 4.27 0.00 1.54 1.63 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 66 M 8.41 4.40 0.00 2.05 1.99 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 2.57 2.52 0.00 67 R 8.33 4.28 0.00 1.91 2.01 0.00 3.03 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 68 D 7.83 4.83 0.00 2.81 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 69 R 7.84 4.13 0.00 1.88 1.50 0.00 3.23 0.00 0.00 3.14 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 *78 S 9.23 4.19 0.00 3.83 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.89 4.76 0.00 2.67 2.72 0.00 0.00 6.47 7.68 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 80 V 8.00 4.62 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 0.71 0.00 0.00 0.92 0.00 0.00 81 V 8.66 4.52 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.92 0.00 0.00 82 G 8.42 4.34 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 0.00 83 I 7.96 4.56 1.80 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 1.46 0.82 0.00 0.00 84 P 0.00 3.91 0.00 2.09 2.17 0.00 3.65 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.03 0.00 85 L 8.42 4.00 0.00 1.10 1.71 0.69 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.96 4.65 0.00 1.92 1.70 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.68 5.28 0.00 2.77 2.63 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 88 T 8.06 4.74 4.41 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 1.38 0.00 0.00 89 K 8.61 4.08 0.00 1.82 1.88 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.46 7.81 90 D 8.35 4.65 0.00 2.74 2.59 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 91 D 8.68 4.37 0.00 2.72 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 92 R 8.10 3.86 0.00 1.82 1.91 0.00 3.11 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 93 I 7.62 3.45 1.92 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 1.50 0.83 1.08 0.00 0.00 94 R 7.88 3.88 0.00 2.09 2.00 0.00 3.19 0.00 0.00 3.33 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 95 D 8.50 4.20 0.00 2.64 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 96 M 8.05 3.80 0.00 1.86 1.76 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.58 0.00 97 A 8.14 3.96 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 98 R 8.29 2.55 0.00 0.72 1.58 0.00 3.21 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.37 0.00 99 H 8.49 3.86 0.00 3.30 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 M 8.17 4.01 0.00 2.12 2.19 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 2.56 2.56 0.00 101 A 7.60 4.05 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 0.00 0.00 0.00 0.00 0.00 102 T 8.16 3.78 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 1.13 0.00 0.00 103 I 7.84 3.69 1.96 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.38 0.91 0.00 0.00 104 I 7.64 3.87 1.96 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 1.51 0.75 1.00 0.00 0.00 105 S 8.14 4.63 0.00 4.00 3.78 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 0.00 106 E 8.16 3.88 0.00 2.05 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 2.25 2.27 0.00 107 R 8.02 3.94 0.00 1.68 1.95 0.00 3.11 0.00 0.00 3.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.90 0.00 108 F 8.32 4.44 0.00 3.20 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 0.00 109 N 7.71 4.17 0.00 2.79 2.86 0.00 0.00 6.87 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 0.00 110 R 7.77 4.93 0.00 1.77 1.78 0.00 3.23 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.91 0.00 111 P 0.00 4.80 0.00 2.11 2.04 0.00 3.85 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 2.18 1.88 0.00 112 C 8.62 5.47 0.00 3.16 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 9.30 5.25 0.00 3.11 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 0.00 114 V 9.23 5.02 2.24 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 1.16 0.00 0.00 1.02 0.00 0.00 115 T 9.37 5.30 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 1.19 0.00 0.00 116 W 9.01 5.21 0.00 3.46 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 0.00 117 S 7.61 4.75 0.00 3.89 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 0.00 118 S 9.08 4.73 0.00 3.75 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 0.00 119 L 9.12 4.16 0.00 1.86 1.63 0.98 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 3.79 0.00 2.07 1.98 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 121 S 7.15 4.64 0.00 3.80 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 0.00 122 E 7.93 3.67 0.00 2.24 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 123 D 8.80 4.66 0.00 2.74 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 0.00 124 P 0.00 4.31 0.00 2.24 2.16 0.00 3.71 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 2.16 2.20 0.00 125 S 9.11 4.15 0.00 3.81 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 0.00 126 M 7.87 4.07 0.00 1.85 2.40 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 2.52 2.37 0.00 127 L 8.25 4.01 0.00 1.94 1.66 0.99 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.86 3.54 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 1.00 0.00 0.00 129 A 8.48 4.28 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.48 5.05 0.00 3.37 3.16 0.00 0.00 6.41 8.04 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 0.00 131 H 7.93 3.58 0.00 3.18 3.18 0.00 5.79 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.95 4.04 0.00 1.77 1.77 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 8.00 4.16 0.00 3.10 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 0.00 134 I 8.01 3.41 1.76 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 1.52 1.05 0.93 0.00 0.00 135 L 7.54 3.85 0.00 1.92 1.73 0.82 0.81 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 0.00 136 K 7.77 3.84 0.00 1.88 1.92 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.50 7.81 137 K 7.94 4.21 0.00 1.48 1.69 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.56 1.14 7.81 138 C 7.92 4.14 0.00 3.18 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 0.00 139 L 8.47 4.11 0.00 1.80 1.81 1.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.52 4.42 0.00 2.66 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.67 3.92 0.00 1.80 1.79 0.91 0.61 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 0.00 142 L 7.76 3.75 0.00 1.99 1.10 0.77 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.75 4.20 0.00 2.03 2.29 0.00 1.53 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.62 7.81 144 T 8.00 3.96 4.43 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 1.22 0.00 0.00 145 E 8.36 4.26 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 146 L 9.12 4.62 0.00 1.79 1.61 0.84 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 147 G 7.91 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 * Residues marked with a * may have inaccurate shift predictions.