NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4140 8.3349 115.2947 58.4884 63.5772 173.2066 4 N 4.7778 8.4706 122.8721 52.4407 39.2021 174.9074 5 Q 3.9623 8.9829 123.7629 59.7137 29.8800 178.4926 6 T 3.8892 7.8578 115.9839 66.6859 68.6104 176.7179 7 V 3.5861 7.6638 119.5111 66.0556 31.6913 176.9652 8 Y 3.4240 7.8042 119.4714 60.7909 38.5660 178.0175 9 Q 4.0967 8.5567 120.6090 59.2189 28.8598 178.1788 10 F 3.9209 7.9196 120.4777 61.0835 39.8447 176.9315 11 I 3.8131 7.9818 119.2778 64.4207 36.7246 178.1286 12 A 3.8500 7.7953 120.4720 55.0712 18.2667 178.7938 13 E 4.2046 7.7744 114.0476 57.0549 30.1208 176.5781 14 N 4.8869 7.7160 117.1642 52.1928 40.4409 177.1052 15 Q 3.8297 8.2605 118.5389 59.2742 29.0383 177.7959 16 N 4.2929 7.9676 116.8822 56.2462 38.5551 177.1715 17 E 3.8449 7.9173 119.3950 59.4619 29.5602 179.2939 18 L 3.2790 7.7325 118.9967 57.1567 41.4057 179.2343 19 L 3.8838 7.6605 120.3175 58.2052 41.9997 178.9090 20 Q 3.8905 7.8020 119.1226 58.9667 29.0303 177.7385 21 L 3.8746 7.7726 121.3751 58.2112 42.1230 179.1489 22 W 4.1510 7.9622 118.9491 59.7975 28.8153 178.7741 23 T 4.0222 8.2378 116.0088 66.8859 67.8886 176.4382 24 D 4.4267 8.3496 120.8174 57.5569 40.7365 179.0268 25 T 3.8904 8.1263 116.3003 66.6108 68.4202 176.6070 26 L 3.9690 8.0909 120.8357 57.7604 41.5320 179.7990 27 K 3.6103 7.9711 118.2601 59.2534 31.7730 178.9216 28 E 3.9285 8.0381 118.3912 59.4655 29.8932 178.6620 29 L 4.1113 8.0929 119.2493 57.6492 41.5446 179.6092 30 S 4.2993 8.4336 114.6248 61.3481 62.6229 176.3029 31 E 4.0520 7.8279 121.4145 58.6174 29.2178 178.1117 32 Q 4.4023 7.8045 115.9207 55.4108 29.4008 175.1382 33 E 4.4951 7.9172 121.0680 54.6206 31.3905 176.0748 34 S 4.4016 8.2091 113.4181 60.3731 63.9044 173.6072 35 Y 4.9339 7.0295 117.9854 55.6065 40.6597 173.3181 36 Q 5.0049 8.5788 119.7126 54.2117 31.1157 176.4756 37 L 4.3791 8.8174 123.1764 54.2263 43.6991 177.1110 38 T 4.4022 7.8271 109.2271 61.3006 71.3539 174.9529 39 D 4.5464 8.6776 121.7429 58.0279 40.8787 179.0771 40 Q 4.0335 8.1293 119.1731 59.1592 29.0175 178.4020 41 V 3.5298 7.5696 118.7664 66.2788 31.5154 177.7334 42 Y 4.4299 7.7020 116.3897 60.9246 37.6328 177.6334 43 E 4.3445 8.7181 122.1628 58.9848 29.7146 178.7755 44 N 4.4253 8.4765 116.4006 56.2354 38.4792 177.4573 45 I 3.8691 8.0159 121.2966 64.6678 37.2069 178.6232 46 S 4.4164 8.5176 116.0204 61.5874 62.6788 176.7676 47 K 4.0776 8.6144 122.6584 59.5850 31.8733 178.7631 48 E 4.0787 8.5448 118.9938 59.5225 29.4108 178.7497 49 Y 4.3440 8.5888 119.7896 60.9220 38.9242 177.9588 50 I 3.9206 8.4109 120.9278 64.7517 37.0161 178.0993 51 D 4.4023 8.0760 118.5520 57.3437 40.7846 178.5013 52 I 3.8481 7.7354 120.1259 64.4510 37.1054 178.4249 53 L 3.9126 7.7232 119.5574 57.8750 41.2932 179.6536 54 L 4.0879 8.0286 117.3451 57.0349 41.6161 178.6192 55 L 4.4885 7.6708 117.2815 55.4981 42.1791 177.7758 56 S 5.3614 8.2830 117.2067 57.4786 63.6411 176.4830 57 V 3.8495 8.0772 124.3120 64.5277 31.4954 177.3415 58 K 4.0681 8.0617 120.7877 57.5406 32.7145 175.5246 59 D 4.3667 6.9388 113.1636 53.1450 40.9822 175.6906 60 E 4.2857 8.2230 115.5473 57.2502 30.0494 178.1096 61 N 4.5962 8.6753 118.8873 56.2633 38.9273 177.3883 62 A 3.9459 8.0234 119.7287 54.6760 18.8711 178.0813 63 A 4.9660 7.4381 117.4689 51.5150 19.0835 178.4923 64 E 3.8161 7.8538 122.5802 61.1584 29.4816 179.5496 65 S 4.1362 7.9847 113.2446 61.5529 63.1430 176.1889 66 Q 3.9863 8.0217 121.2748 58.5739 28.5366 178.3928 67 I 3.7204 8.2399 121.2088 64.6436 37.2211 178.4440 68 S 4.0891 8.0630 113.7069 61.2659 62.2567 175.6644 69 E 3.9176 8.4321 122.2852 59.2365 29.3763 178.5291 70 L 4.2131 8.5253 121.6629 57.5986 42.1822 178.8732 71 A 4.1387 8.1257 120.7597 55.0964 18.3348 179.2889 72 L 3.7129 7.9979 118.9221 58.1784 42.0513 179.2166 73 R 3.8089 8.1098 118.3616 59.2488 30.0607 178.0107 74 A 4.0850 8.1410 120.6940 55.4156 18.3982 179.4809 75 V 3.4877 7.6511 116.3446 66.6243 31.2585 178.3964 76 Q 3.9987 7.8757 116.2092 58.3052 28.6265 177.8001 77 I 4.1733 7.8464 111.9694 61.1617 38.1230 176.6508 78 G 4.4245 7.8853 108.6345 46.7193 0.0000 173.4231 79 L 4.1219 7.7755 120.4737 54.1376 43.0996 177.1609 80 S 5.1961 8.0908 124.2828 57.3374 62.4985 175.9791 *82 K 3.9856 8.8168 117.2949 56.1878 33.5130 177.0864 83 F 3.7760 8.2955 120.2006 61.0727 39.1556 176.6643 84 L 3.8959 8.2895 119.9516 58.3329 42.0015 178.9249 85 A 4.0183 7.6267 120.0169 55.1928 18.2585 179.6295 86 T 3.5938 7.8801 114.3371 66.4758 68.3980 176.5963 87 A 3.4401 7.6078 122.9219 55.0445 18.1854 179.5879 88 L 2.9786 7.4839 117.1551 57.4998 41.5029 179.5037 89 A 4.1242 7.6960 120.3854 55.5320 18.2581 179.6675 90 E 3.6617 7.8516 116.7610 59.1136 29.4571 179.4983 91 F 4.1373 7.9742 118.5549 60.4247 38.9312 177.7797 92 W 4.0040 7.5253 116.1956 59.3061 27.9208 178.5990 93 K 3.5475 6.8072 119.3313 58.9859 31.3769 179.5675 94 R 4.0164 8.2115 118.6699 58.8990 29.7470 178.8092 95 L 4.0792 8.0080 119.6611 58.0780 42.2133 177.7950 96 Y 4.3177 8.4238 119.0254 61.2718 39.1287 178.0731 97 T 3.7224 7.8385 116.2156 66.4957 68.1092 176.6304 98 K 3.8179 7.5222 115.7049 58.0562 31.6742 177.9397 *100 N 4.2240 7.9836 118.9714 53.6227 40.3005 175.1162 101 D 4.4562 7.7109 115.5648 55.7678 40.9509 176.8674 102 K 4.2514 7.2083 116.9785 56.8614 33.4456 176.8650 *108 E 4.1831 7.7666 118.3425 55.8657 31.7468 176.5683 109 S 4.2618 8.5651 118.8845 62.1197 63.0483 177.2574 110 T 3.7042 7.8802 117.7479 66.7850 68.2994 176.4460 111 E 4.2166 8.2496 119.9675 59.1496 29.4673 178.7637 112 L 4.2437 7.8707 121.8324 57.6752 42.0285 179.0448 113 I 3.5816 7.8526 119.5257 64.4163 36.9171 178.5532 114 W 4.5294 7.8904 119.4269 59.7261 28.8963 178.7329 115 Q 4.1175 8.5142 118.4023 59.0225 28.1772 178.7906 116 I 4.1543 8.1070 120.9711 64.4628 37.1014 178.0146 117 D 3.9911 8.3254 119.1555 57.2266 40.8563 177.9944 118 R 3.9114 8.0910 118.1792 59.5460 30.0759 178.0044 119 F 4.2470 7.9559 118.5772 61.4513 39.7668 176.8540 120 F 3.9210 8.4141 117.2315 59.7639 38.8351 177.7762 121 S 4.0434 8.3237 113.5450 61.0778 62.0641 174.6981 122 P 4.2682 0.0000 0.0000 65.1445 30.8717 178.3948 123 I 3.5222 7.4065 119.0758 64.3785 37.0509 177.9352 124 N 4.0287 8.3932 117.9029 56.3326 37.8180 177.5949 125 T 3.7347 7.8432 111.3165 64.7033 68.7025 176.2093 126 E 3.9466 7.8900 121.9290 58.8897 29.6211 178.5854 127 I 3.7336 7.8703 120.2149 64.5707 37.2349 178.2516 128 F 4.5453 7.9929 118.5666 60.7761 38.7155 177.0871 129 N 4.4102 8.5976 116.8053 57.1675 38.7538 176.9106 130 Q 4.0641 8.3443 119.1452 58.5797 28.3432 177.8487 131 Y 3.8541 8.3861 121.0961 60.8275 38.8614 178.2079 132 S 4.4657 8.5313 113.9553 61.6689 62.1100 176.1222 133 I 3.7614 8.1617 122.6241 64.4941 36.5767 178.3932 134 S 3.7454 7.8656 115.2193 60.8476 62.5364 176.2970 135 W 4.7510 7.8988 120.5958 58.8398 29.5824 176.1746 136 E 4.2205 7.6900 121.0689 57.0101 29.0525 176.9547 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 S 8.33 4.41 0.00 3.85 3.85 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 4 N 8.47 4.78 0.00 3.09 2.86 0.00 0.00 6.73 7.21 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 5 Q 8.98 3.96 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 6 T 7.86 3.89 4.28 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 1.26 0.00 0.00 7 V 7.66 3.59 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 1.03 0.00 0.00 8 Y 7.80 3.42 0.00 2.89 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 9 Q 8.56 4.10 0.00 2.23 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 10 F 7.92 3.92 0.00 3.10 3.21 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 11 I 7.98 3.81 1.75 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 1.75 1.22 0.89 0.00 0.00 12 A 7.80 3.85 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 13 E 7.77 4.20 0.00 1.77 1.81 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 2.24 2.32 0.00 14 N 7.72 4.89 0.00 2.32 2.38 0.00 0.00 6.90 7.71 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 15 Q 8.26 3.83 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.42 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 16 N 7.97 4.29 0.00 2.66 2.81 0.00 0.00 7.06 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 17 E 7.92 3.84 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 18 L 7.73 3.28 0.00 1.16 0.19 0.85 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.66 3.88 0.00 1.80 1.87 1.02 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 7.80 3.89 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 21 L 7.77 3.87 0.00 1.72 1.38 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 22 W 7.96 4.15 0.00 3.17 1.88 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 23 T 8.24 4.02 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 1.37 0.00 0.00 24 D 8.35 4.43 0.00 2.86 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 25 T 8.13 3.89 4.67 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 1.33 0.00 0.00 26 L 8.09 3.97 0.00 1.86 1.49 1.31 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.97 3.61 0.00 1.95 1.85 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.59 7.81 28 E 8.04 3.93 0.00 2.04 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 0.00 2.29 2.34 0.00 29 L 8.09 4.11 0.00 1.69 1.44 0.45 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.43 4.30 0.00 4.07 4.02 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 31 E 7.83 4.05 0.00 2.12 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 0.00 2.56 2.51 0.00 32 Q 7.80 4.40 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 33 E 7.92 4.50 0.00 1.99 1.65 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 2.35 2.10 0.00 34 S 8.21 4.40 0.00 4.06 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 35 Y 7.03 4.93 0.00 3.13 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 36 Q 8.58 5.00 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 37 L 8.82 4.38 0.00 0.89 1.39 0.89 0.85 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 38 T 7.83 4.40 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 39 D 8.68 4.55 0.00 2.77 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 40 Q 8.13 4.03 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 41 V 7.57 3.53 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 0.72 0.00 0.00 0.83 0.00 0.00 42 Y 7.70 4.43 0.00 3.16 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 43 E 8.72 4.34 0.00 2.14 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 2.38 2.29 0.00 44 N 8.48 4.43 0.00 3.12 2.91 0.00 0.00 7.06 7.05 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 45 I 8.02 3.87 2.29 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.91 1.14 0.00 0.00 46 S 8.52 4.42 0.00 4.15 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 47 K 8.61 4.08 0.00 1.94 1.96 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.60 7.81 48 E 8.54 4.08 0.00 2.48 2.14 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 2.41 2.40 0.00 49 Y 8.59 4.34 0.00 3.31 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.41 3.92 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 1.97 1.08 0.98 0.00 0.00 51 D 8.08 4.40 0.00 2.89 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 52 I 7.74 3.85 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.99 0.80 0.00 0.00 53 L 7.72 3.91 0.00 1.90 1.89 1.31 -0.16 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 54 L 8.03 4.09 0.00 1.65 1.81 0.90 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.67 4.49 0.00 1.76 1.74 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.28 5.36 0.00 3.85 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 57 V 8.08 3.85 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 0.49 0.00 0.00 0.61 0.00 0.00 58 K 8.06 4.07 0.00 1.72 1.85 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.41 7.81 59 D 6.94 4.37 0.00 2.91 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 60 E 8.22 4.29 0.00 2.06 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 2.31 2.22 0.00 61 N 8.68 4.60 0.00 3.00 2.89 0.00 0.00 6.85 6.65 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 62 A 8.02 3.95 1.33 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 0.00 0.00 63 A 7.44 4.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 7.85 3.82 0.00 2.13 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 2.36 0.00 65 S 7.98 4.14 0.00 4.09 4.11 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 0.00 0.00 0.00 66 Q 8.02 3.99 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 67 I 8.24 3.72 2.09 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 1.43 0.67 0.94 0.00 0.00 68 S 8.06 4.09 0.00 3.91 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 69 E 8.43 3.92 0.00 2.22 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 2.38 0.00 70 L 8.53 4.21 0.00 1.96 1.95 1.11 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.13 4.14 1.53 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 0.00 0.00 72 L 8.00 3.71 0.00 1.79 1.83 0.77 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.11 3.81 0.00 2.10 2.13 0.00 3.20 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 74 A 8.14 4.09 1.65 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 75 V 7.65 3.49 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 0.25 0.00 0.00 -0.06 0.00 0.00 76 Q 7.88 4.00 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.67 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 77 I 7.85 4.17 1.89 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 1.83 0.60 0.96 0.00 0.00 78 G 7.89 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 0.00 0.00 0.00 0.00 79 L 7.78 4.12 0.00 1.92 1.71 1.13 0.36 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 80 S 8.09 5.20 0.00 4.04 3.51 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 *82 K 8.82 3.99 0.00 1.81 1.85 0.00 1.50 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.42 7.81 83 F 8.30 3.78 0.00 3.17 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 84 L 8.29 3.90 0.00 1.82 1.46 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.63 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.88 3.59 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 87 A 7.61 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.48 2.98 0.00 1.64 1.60 0.88 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.70 4.12 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 7.85 3.66 0.00 1.97 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 2.13 2.36 0.00 91 F 7.97 4.14 0.00 2.67 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 0.00 0.00 0.00 0.00 92 W 7.53 4.00 0.00 3.02 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 93 K 6.81 3.55 0.00 1.37 1.45 0.00 1.34 0.00 0.00 1.16 0.00 0.00 2.62 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.21 7.81 94 R 8.21 4.02 0.00 2.13 2.07 0.00 3.23 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 95 L 8.01 4.08 0.00 2.12 2.15 1.13 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 8.42 4.32 0.00 3.12 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 97 T 7.84 3.72 4.35 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 1.21 0.00 0.00 98 K 7.52 3.82 0.00 1.91 1.95 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.64 7.81 *100 N 7.98 4.22 0.00 1.60 2.31 0.00 0.00 7.15 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.71 4.46 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 K 7.21 4.25 0.00 1.56 1.88 0.00 1.89 0.00 0.00 1.94 0.00 0.00 3.28 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.41 7.81 *108 E 7.77 4.18 0.00 2.14 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 2.34 2.51 0.00 109 S 8.57 4.26 0.00 3.93 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 0.00 110 T 7.88 3.70 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 1.39 0.00 0.00 111 E 8.25 4.22 0.00 2.06 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 2.63 2.43 0.00 112 L 7.87 4.24 0.00 1.84 2.03 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.85 3.58 1.38 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.39 0.07 0.00 0.00 114 W 7.89 4.53 0.00 3.51 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.51 4.12 0.00 2.38 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.69 0.00 116 I 8.11 4.15 2.11 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.02 1.19 0.00 0.00 117 D 8.33 3.99 0.00 2.55 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 0.00 118 R 8.09 3.91 0.00 2.21 2.17 0.00 3.36 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 119 F 7.96 4.25 0.00 3.21 3.27 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 F 8.41 3.92 0.00 3.21 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 0.00 121 S 8.32 4.04 0.00 3.88 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 0.00 122 P 0.00 4.27 0.00 2.40 2.24 0.00 3.83 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 1.91 1.84 0.00 123 I 7.41 3.52 1.80 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.31 0.75 0.00 0.00 124 N 8.39 4.03 0.00 2.50 2.25 0.00 0.00 6.86 6.59 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 0.00 125 T 7.84 3.73 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 1.28 0.00 0.00 126 E 7.89 3.95 0.00 2.18 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 0.00 2.28 2.39 0.00 127 I 7.87 3.73 1.86 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.57 1.03 0.00 0.00 128 F 7.99 4.55 0.00 3.22 2.95 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 0.00 129 N 8.60 4.41 0.00 3.04 3.03 0.00 0.00 7.29 8.25 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 0.00 130 Q 8.34 4.06 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 131 Y 8.39 3.85 0.00 3.38 3.35 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 0.00 132 S 8.53 4.47 0.00 4.17 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.16 3.76 1.98 0.00 0.00 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 1.57 0.83 0.92 0.00 0.00 134 S 7.87 3.75 0.00 3.58 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 0.00 135 W 7.90 4.75 0.00 3.42 3.11 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 0.00 0.00 0.00 136 E 7.69 4.22 0.00 1.85 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 2.43 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.