NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 V 4.2436 7.9127 117.9123 60.3202 33.4720 174.0186 29 T 3.9066 8.4844 113.8645 64.2173 67.6259 172.9552 30 G 4.0347 9.9268 118.2432 45.2475 0.0000 174.2460 31 D 4.4266 7.5700 118.7460 58.0008 41.0419 178.2202 32 T 4.0890 7.9772 113.8539 66.1098 68.4710 173.6051 33 D 4.8880 7.8529 121.2299 50.9647 38.7947 174.8884 34 Q 4.6068 7.8673 124.2227 54.1576 32.8552 172.6952 35 P 4.1060 0.0000 0.0000 63.8078 31.3638 175.4143 36 I 4.6350 7.8250 123.1738 59.3632 37.1846 174.5414 37 H 4.5356 8.4500 124.1967 55.3762 30.3608 174.3957 38 I 4.8567 8.1583 121.9378 59.3809 40.6364 174.4905 39 E 4.8137 8.6947 124.2177 54.7267 32.3706 174.4278 40 S 4.8506 8.6276 119.3860 57.8303 64.8712 172.3166 41 D 4.8628 8.5317 116.1823 55.9268 42.7949 176.4231 42 Q 4.8858 7.8376 115.5140 54.3310 32.8289 174.0154 43 Q 4.7241 7.9996 116.2792 56.8126 31.2654 172.5733 44 S 4.6439 7.8387 113.3448 57.3347 66.7506 171.6373 45 L 4.5919 7.9100 121.0026 54.7856 44.8543 174.1082 46 D 4.6722 8.6899 126.8677 53.4465 42.7999 176.1058 47 M 4.1626 8.8510 126.3639 57.0605 31.9517 176.3224 48 Q 4.4102 7.6328 115.6094 54.2115 27.1641 181.6382 49 G 4.0121 9.0115 116.6672 43.3307 0.0000 174.8471 50 N 4.3722 8.2113 123.0309 52.0616 39.6099 172.9270 51 V 4.4352 7.9102 126.9737 60.5121 31.9423 173.2785 52 V 4.1102 8.3431 121.3014 62.6805 32.3261 174.9612 53 T 5.0204 8.1271 127.0777 61.6319 68.9459 173.2735 54 F 4.4823 9.1669 124.8688 57.5673 40.6941 174.3706 55 T 4.9914 8.7328 112.0832 60.3086 72.8993 175.3847 56 G 4.0106 9.6786 111.6998 44.4878 0.0000 174.9668 57 N 5.3198 8.6706 113.5955 51.0403 38.4457 173.1326 58 V 3.9399 8.3843 121.1578 62.9222 33.2946 175.5940 59 I 4.9559 8.4724 127.4404 57.9090 37.1665 174.2986 60 V 4.0013 7.7600 124.2474 61.9027 32.7435 176.3528 61 T 5.0730 8.9056 114.9472 60.2410 73.0195 173.0650 62 Q 4.5675 8.5816 120.7053 56.1546 32.2524 173.9157 63 G 3.8066 9.1081 118.6244 47.0861 0.0000 175.3410 64 T 4.0673 9.2510 113.2113 63.9771 69.3256 175.3851 65 I 3.9101 7.5907 125.0043 62.8134 38.7440 176.4767 66 K 4.8089 9.1017 128.8867 54.4797 35.9037 173.8370 67 I 5.0021 9.0399 127.5383 58.5973 40.1032 174.4210 68 N 5.3793 8.8803 124.2662 51.6692 41.3197 173.9588 69 A 4.2320 8.4711 123.5436 52.2556 23.0593 174.6333 70 D 4.9054 8.9847 119.3258 55.2980 40.3783 177.5376 71 K 4.5579 8.0878 120.1571 56.6738 34.7487 176.0449 72 V 4.9680 9.3688 125.1727 61.5299 35.5911 174.1037 73 V 4.7295 8.8848 127.7458 60.9782 32.8671 173.2996 74 V 4.6421 8.5553 127.5685 60.8706 32.7555 175.5108 75 T 4.8326 8.5394 115.2020 59.8493 72.3134 173.5977 76 R 4.8387 8.3147 122.0732 54.3881 31.1059 172.9002 77 P 4.5452 0.0000 0.0000 64.0537 33.1529 177.5899 78 G 4.0648 7.2849 102.2662 44.9550 0.0000 174.7949 79 G 4.0148 8.7387 108.4174 44.9865 0.0000 173.9227 *83 K 4.2858 8.0970 117.3434 54.7004 33.8171 178.5339 84 E 4.4178 8.1993 120.2630 56.9699 31.5653 176.5086 85 V 4.2927 8.7933 122.9079 60.9062 33.5250 173.3039 86 I 4.1333 8.5747 128.0791 61.0505 38.3289 174.7909 87 D 5.4300 8.2108 127.5439 51.2447 41.7131 175.1197 88 G 4.0763 8.1520 109.8144 46.0425 0.0000 169.1572 89 Y 5.3014 9.2767 120.8106 56.0070 41.6602 175.0107 90 G 4.4303 8.8901 112.1437 45.7817 0.0000 172.8651 91 K 5.1489 8.2816 122.1990 52.4724 31.4754 173.1284 92 P 5.1611 0.0000 0.0000 60.6719 34.0334 176.6311 93 A 4.4857 8.7628 125.0737 52.4456 19.6662 176.3083 94 T 5.0849 8.8702 112.7211 59.8658 71.4885 172.9437 95 F 5.1531 9.1841 128.1926 56.9756 41.4581 174.3057 96 Y 4.7378 7.5521 125.3297 56.1263 42.5969 173.4670 97 Q 4.6601 8.1514 126.9377 54.7584 32.8679 173.5809 98 M 4.4835 8.7358 126.0732 55.5890 33.4140 175.0180 99 Q 4.7845 8.0977 120.9321 53.6812 32.4119 176.5460 100 D 4.3632 8.2152 120.4616 57.4293 41.1673 177.4404 101 N 4.6846 8.2585 115.7148 52.4017 37.4280 177.1845 102 G 3.9046 8.3289 108.5780 47.2170 0.0000 174.9055 103 K 4.4306 7.9922 122.6375 52.2049 32.8866 180.5007 104 P 4.6970 0.0000 0.0000 61.4397 33.3924 175.5479 105 V 4.3501 8.2322 121.3070 62.5289 34.4232 175.3421 106 E 5.2083 8.9897 127.0943 55.2474 32.3883 171.7167 107 G 4.4795 8.1195 107.2635 47.5270 0.0000 170.7851 108 H 5.2858 8.6627 113.8755 55.2349 32.3879 172.7626 109 A 4.9383 8.9765 120.9495 51.6654 22.6748 176.9637 110 S 4.4177 8.9083 112.9752 60.7945 64.2171 175.1059 111 Q 4.3310 8.0677 120.9877 54.9417 32.5832 173.5558 112 M 4.3756 8.6948 126.6729 54.8857 34.1484 175.0994 113 H 4.7987 8.6443 122.0988 54.5760 31.8751 169.8933 114 Y 4.9946 9.1437 125.4675 55.7111 39.9082 173.8468 115 E 4.6333 9.2691 128.2759 55.7482 29.8598 177.9314 116 L 4.2026 8.6175 125.9366 57.5253 41.8912 179.2346 117 A 4.0821 8.4257 123.6937 55.8181 18.4456 179.4114 118 K 4.1800 8.0759 114.3661 55.2516 32.5443 178.7052 119 D 4.7526 8.3016 115.7007 55.9253 37.8578 172.3913 120 F 5.3829 8.4001 122.2644 56.9686 41.1474 174.3466 121 V 4.4375 9.0434 126.8265 60.9639 33.5848 174.3244 122 V 4.3986 8.2677 127.5805 61.0447 33.9215 174.4110 123 L 4.7706 9.1044 128.8687 53.7770 43.6303 176.0812 124 T 4.8449 7.7733 109.8025 62.1776 72.4610 169.4099 125 G 3.7390 8.8887 118.7234 45.9931 0.0000 173.3312 126 N 4.4101 8.6367 125.7358 53.6167 36.2995 174.7534 127 A 4.6515 8.0628 120.1375 51.6165 20.8947 177.5862 128 Y 5.0243 8.9941 123.0489 55.9378 42.6839 173.8286 129 L 4.8841 8.0371 127.9251 53.6722 46.0454 174.1045 130 Q 4.5073 7.8064 117.3806 55.4230 32.2690 172.9374 131 Q 4.6921 8.6202 125.8763 54.8843 32.6256 176.2009 132 V 3.8238 8.5970 116.1937 63.0866 32.0454 172.8660 133 D 4.9762 7.9774 116.7636 53.6445 41.6149 175.6411 134 S 5.1914 7.5216 113.2259 56.8700 66.7580 172.8954 135 N 5.0958 8.9155 118.8832 51.3389 40.7274 173.0645 136 I 4.6336 7.7226 124.9540 60.0710 40.0888 175.4385 137 K 4.9878 8.9505 128.0717 53.2315 36.3031 175.8892 138 G 4.0707 8.3046 108.6215 46.6053 0.0000 171.7578 139 D 4.4726 7.7852 117.2367 55.2159 42.0153 176.5286 140 K 5.0145 8.5214 128.3472 53.9834 33.7747 174.0785 141 I 4.5121 7.9227 128.1294 60.4082 39.1027 174.9026 142 T 4.8391 8.7556 116.5558 60.0637 71.6509 171.8815 143 Y 4.9521 9.2920 128.5110 55.7634 41.2390 174.1315 144 L 4.8894 9.4179 130.1402 53.2603 42.1035 176.7543 145 V 3.2940 8.2311 125.2461 65.3304 31.8389 177.5569 146 K 4.1242 8.0236 119.4273 59.2866 32.2590 177.4643 147 E 4.1055 8.1518 116.9588 57.1575 29.7833 177.0927 148 Q 4.0354 8.3899 117.9696 57.2260 26.8279 173.9195 149 K 4.3713 7.8784 121.3395 55.2220 33.0463 178.8750 150 M 5.2344 8.4198 122.6396 53.1730 35.7754 174.6447 151 Q 4.5973 8.8789 118.9858 54.7770 34.2359 173.9338 152 A 4.4759 7.5858 120.1828 51.0932 22.0495 175.8085 153 F 5.3321 8.5970 121.1100 55.5878 43.2977 174.3059 154 S 5.2502 8.6092 114.7200 56.5210 65.6032 173.7715 155 D 4.4556 9.6967 124.6106 54.1428 41.2848 176.1944 156 K 3.8535 8.5641 122.5817 58.5578 30.9136 176.1067 157 G 3.9695 8.7765 118.7124 45.7362 0.0000 175.0736 158 K 4.3195 7.8805 122.6783 53.6647 32.6799 178.4012 159 R 4.6586 7.9897 114.3159 55.8441 33.8278 175.6639 160 V 4.2594 8.1797 120.5818 61.9742 32.0903 175.2796 161 T 4.4032 8.0770 125.5582 63.5168 69.7717 174.4146 162 T 5.0815 8.2927 120.9604 62.1279 72.8580 173.6253 163 V 4.4767 8.4962 116.8972 59.7524 36.2734 174.7572 164 L 4.9632 8.5242 125.5950 52.9274 42.8412 177.5942 165 V 3.8959 8.3854 121.6574 61.4410 31.1570 174.8308 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 28 V 7.91 4.24 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 0.72 0.00 0.00 0.93 0.00 0.00 29 T 8.48 3.91 4.59 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 1.22 0.00 0.00 30 G 9.93 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 31 D 7.57 4.43 0.00 2.76 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 32 T 7.98 4.09 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 1.38 0.00 0.00 33 D 7.85 4.89 0.00 2.76 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 34 Q 7.87 4.61 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 35 P 0.00 4.11 0.00 2.13 2.16 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 36 I 7.82 4.64 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.80 0.83 0.00 0.00 37 H 8.45 4.54 0.00 3.04 3.18 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.16 4.86 1.41 0.00 0.00 0.47 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 0.39 0.06 0.00 0.00 39 E 8.69 4.81 0.00 2.00 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 2.22 2.27 0.00 40 S 8.63 4.85 0.00 4.20 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 41 D 8.53 4.86 0.00 2.52 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 42 Q 7.84 4.89 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 43 Q 8.00 4.72 0.00 1.22 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.78 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 44 S 7.84 4.64 0.00 3.80 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 45 L 7.91 4.59 0.00 1.84 1.42 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.69 4.67 0.00 2.77 2.48 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 47 M 8.85 4.16 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.10 0.00 48 Q 7.63 4.41 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.45 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 49 G 9.01 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.21 4.37 0.00 2.46 2.58 0.00 0.00 6.19 7.67 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 51 V 7.91 4.44 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 0.88 0.00 0.00 0.94 0.00 0.00 52 V 8.34 4.11 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 0.80 0.00 0.00 0.98 0.00 0.00 53 T 8.13 5.02 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 1.24 0.00 0.00 54 F 9.17 4.48 0.00 3.03 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 55 T 8.73 4.99 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 1.24 0.00 0.00 56 G 9.68 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.67 5.32 0.00 2.58 2.74 0.00 0.00 6.73 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 58 V 8.38 3.94 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 0.86 0.00 0.00 1.11 0.00 0.00 59 I 8.47 4.96 1.84 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 0.89 1.34 0.87 0.00 0.00 60 V 7.76 4.00 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 0.97 0.00 0.00 0.88 0.00 0.00 61 T 8.91 5.07 4.33 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 1.19 0.00 0.00 62 Q 8.58 4.57 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.85 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 63 G 9.11 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 0.00 0.00 0.00 64 T 9.25 4.07 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 65 I 7.59 3.91 2.08 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 1.04 1.35 0.87 0.00 0.00 66 K 9.10 4.81 0.00 1.35 1.63 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.28 1.29 7.81 67 I 9.04 5.00 1.92 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.12 1.06 0.00 0.00 68 N 8.88 5.38 0.00 2.65 2.71 0.00 0.00 6.28 6.80 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 69 A 8.47 4.23 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.98 4.91 0.00 2.65 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 71 K 8.09 4.56 0.00 1.89 1.78 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.40 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.58 1.48 7.81 72 V 9.37 4.97 2.19 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 0.89 0.00 0.00 0.96 0.00 0.00 73 V 8.88 4.73 2.29 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 1.03 0.00 0.00 1.04 0.00 0.00 74 V 8.56 4.64 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.96 0.00 0.00 75 T 8.54 4.83 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 1.30 0.00 0.00 76 R 8.31 4.84 0.00 1.79 1.84 0.00 3.24 0.00 0.00 3.40 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.79 0.00 77 P 0.00 4.55 0.00 2.10 2.11 0.00 3.84 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 2.05 2.10 0.00 78 G 7.28 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 0.00 0.00 0.00 79 G 8.74 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *83 K 8.10 4.29 0.00 1.58 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.69 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.05 7.81 84 E 8.20 4.42 0.00 1.89 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 2.35 2.35 0.00 85 V 8.79 4.29 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 0.93 0.00 0.00 0.95 0.00 0.00 86 I 8.57 4.13 1.82 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.39 0.87 0.00 0.00 87 D 8.21 5.43 0.00 2.94 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 4.08 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 89 Y 9.28 5.30 0.00 2.85 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 90 G 8.89 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 0.00 0.00 0.00 0.00 91 K 8.28 5.15 0.00 1.49 1.57 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.70 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 0.97 7.81 92 P 0.00 5.16 0.00 2.08 2.05 0.00 3.73 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 1.86 1.85 0.00 93 A 8.76 4.49 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 94 T 8.87 5.08 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 1.31 0.00 0.00 95 F 9.18 5.15 0.00 3.04 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 96 Y 7.55 4.74 0.00 3.07 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 97 Q 8.15 4.66 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 98 M 8.74 4.48 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.68 0.00 99 Q 8.10 4.78 0.00 2.21 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.50 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 100 D 8.22 4.36 0.00 2.64 2.77 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 0.00 101 N 8.26 4.68 0.00 2.94 3.02 0.00 0.00 6.17 6.92 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 0.00 102 G 8.33 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 0.00 103 K 7.99 4.43 0.00 1.70 1.70 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.23 7.81 104 P 0.00 4.70 0.00 1.81 2.09 0.00 3.69 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 1.98 2.02 0.00 105 V 8.23 4.35 2.28 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 1.18 0.00 0.00 0.97 0.00 0.00 106 E 8.99 5.21 0.00 1.85 1.75 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 2.19 2.12 0.00 107 G 8.12 4.48 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 0.00 108 H 8.66 5.29 0.00 3.24 3.46 0.00 5.30 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 0.00 109 A 8.98 4.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.91 4.42 0.00 4.03 3.98 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 0.00 111 Q 8.07 4.33 0.00 1.95 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 1.99 1.69 0.00 112 M 8.69 4.38 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 113 H 8.64 4.80 0.00 3.11 3.15 0.00 5.76 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 9.14 4.99 0.00 3.03 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 9.27 4.63 0.00 2.19 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 2.39 2.34 0.00 116 L 8.62 4.20 0.00 1.63 1.66 0.71 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.43 4.08 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.08 4.18 0.00 1.79 1.73 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.02 7.81 119 D 8.30 4.75 0.00 2.91 2.87 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 0.00 120 F 8.40 5.38 0.00 3.06 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 0.00 121 V 9.04 4.44 1.69 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 0.56 0.00 0.00 0.21 0.00 0.00 122 V 8.27 4.40 1.74 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 0.72 0.00 0.00 -0.10 0.00 0.00 123 L 9.10 4.77 0.00 1.49 1.50 0.83 0.37 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 0.00 124 T 7.77 4.84 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 1.19 0.00 0.00 125 G 8.89 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 0.00 0.00 0.00 126 N 8.64 4.41 0.00 2.83 2.87 0.00 0.00 7.12 7.35 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 0.00 127 A 8.06 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 8.99 5.02 0.00 3.04 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 0.00 129 L 8.04 4.88 0.00 1.48 1.19 0.81 0.17 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 0.00 130 Q 7.81 4.51 0.00 2.15 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.40 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 131 Q 8.62 4.69 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 132 V 8.60 3.82 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 0.77 0.00 0.00 0.93 0.00 0.00 133 D 7.98 4.98 0.00 2.82 2.87 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 0.00 134 S 7.52 5.19 0.00 3.78 3.88 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 0.00 135 N 8.92 5.10 0.00 2.55 2.78 0.00 0.00 6.85 7.38 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 0.00 136 I 7.72 4.63 1.64 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.44 0.77 0.00 0.00 137 K 8.95 4.99 0.00 1.41 1.59 0.00 1.92 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.24 7.81 138 G 8.30 4.07 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 0.00 139 D 7.79 4.47 0.00 2.91 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 0.00 140 K 8.52 5.01 0.00 1.86 1.80 0.00 1.70 0.00 0.00 1.91 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.33 7.81 141 I 7.92 4.51 1.72 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.26 0.73 0.00 0.00 142 T 8.76 4.84 4.42 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 1.13 0.00 0.00 143 Y 9.29 4.95 0.00 2.67 2.43 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 0.00 144 L 9.42 4.89 0.00 1.83 1.64 0.94 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.23 3.29 1.90 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 0.59 0.00 0.00 0.27 0.00 0.00 146 K 8.02 4.12 0.00 1.91 1.83 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 147 E 8.15 4.11 0.00 2.00 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 2.29 2.38 0.00 148 Q 8.39 4.04 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 149 K 7.88 4.37 0.00 1.45 1.68 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.43 1.04 7.81 150 M 8.42 5.23 0.00 1.59 1.73 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 151 Q 8.88 4.60 0.00 1.74 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 152 A 7.59 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 F 8.60 5.33 0.00 2.99 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 0.00 154 S 8.61 5.25 0.00 3.86 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 0.00 155 D 9.70 4.46 0.00 2.71 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 0.00 156 K 8.56 3.85 0.00 1.77 1.68 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.04 7.81 157 G 8.78 3.97 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 0.00 0.00 0.00 158 K 7.88 4.32 0.00 1.75 1.64 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.39 1.29 7.81 159 R 7.99 4.66 0.00 1.74 1.80 0.00 3.17 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 160 V 8.18 4.26 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 0.78 0.00 0.00 0.95 0.00 0.00 161 T 8.08 4.40 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 162 T 8.29 5.08 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 1.14 0.00 0.00 163 V 8.50 4.48 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 0.76 0.00 0.00 0.93 0.00 0.00 164 L 8.52 4.96 0.00 1.43 1.55 0.88 0.86 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 0.00 165 V 8.39 3.90 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 0.64 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.