NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8229 8.3093 115.8775 57.0995 40.4465 177.3910 11 H 3.8870 5.2900 117.3732 54.1430 28.8615 171.4240 12 E 3.9628 9.4612 122.5444 57.4556 30.1038 176.8521 13 M 4.6026 8.5554 115.3117 54.9909 32.4465 176.3270 14 R 4.5768 7.7377 116.7242 55.5291 32.5309 175.5471 15 E 4.1173 7.9463 117.3025 54.9083 30.3926 174.5468 16 P 4.2608 0.0000 0.0000 63.1684 32.2233 175.0786 17 R 4.1622 7.5107 113.9767 55.4886 32.9934 173.7878 18 I 4.2395 8.4587 121.8083 60.6855 38.2075 174.9631 19 E 4.4829 8.8558 129.2769 54.4676 31.2220 172.0063 20 K 4.6023 8.7282 132.5114 55.4055 34.1257 174.6363 21 V 4.5771 7.8328 119.5585 61.2662 34.8164 173.9700 22 V 4.4066 8.3655 128.9223 61.6561 33.0709 174.9673 23 V 5.0868 8.2477 122.8424 59.4218 33.1531 174.7408 24 H 5.2513 8.5499 124.8105 54.5952 33.7476 172.0295 25 M 4.2697 8.5697 124.5921 53.3493 33.2919 175.0849 26 G 4.0821 7.9920 112.1883 46.0895 0.0000 171.4624 27 I 4.1517 7.6625 126.9447 60.3530 39.6229 176.1731 28 G 4.0746 7.7787 111.4535 45.4665 0.0000 172.5851 29 H 4.5702 7.8858 117.4659 55.4518 30.0671 173.6881 *35 A 4.1987 7.0290 123.2870 52.0219 19.2878 176.3286 36 N 4.2809 8.8419 112.1291 56.3693 36.6499 176.6183 37 A 4.1259 7.9741 122.6549 54.6837 18.3620 178.8455 38 E 3.9094 8.5416 118.1068 60.1363 29.4635 179.1998 39 D 4.4509 7.5048 119.0080 57.6775 40.8723 179.6887 40 I 3.7733 7.5675 113.3670 64.0034 37.5451 178.1895 41 L 4.1152 7.8931 120.4657 57.4741 41.5056 179.4924 42 G 3.6205 8.3919 106.1615 47.7310 0.0000 175.5269 43 E 4.1368 7.8147 119.8506 58.8307 29.7649 178.6869 44 I 3.9485 8.2178 118.5810 63.1175 38.0544 176.6920 45 T 4.5998 7.9612 108.5344 64.3517 70.1029 174.8152 46 G 3.8638 7.1146 108.3151 44.2916 0.0000 173.3287 47 Q 4.5793 7.7786 115.5699 54.2816 31.6004 174.1214 48 M 3.7793 8.4760 118.4173 55.4247 32.4942 174.7504 49 P 4.8420 0.0000 0.0000 61.7225 33.4876 175.1340 50 V 4.4577 8.3421 120.6812 60.8071 34.2484 175.3432 51 R 4.3567 8.7493 125.8288 57.2895 31.1852 176.7477 52 T 4.4947 8.6856 117.8478 61.4394 70.2934 173.9689 53 K 5.3381 8.7953 124.6785 55.7430 33.2158 175.8000 54 A 4.8911 8.8223 122.9044 50.2116 22.1010 175.6677 55 K 4.5613 8.4583 117.6147 55.6898 34.9449 175.6428 56 R 4.2280 8.6960 122.1578 56.5668 29.5394 175.8648 57 T 4.5930 8.2096 117.0301 62.4152 70.0256 174.5250 58 V 4.5434 8.9122 124.9054 60.8029 35.0638 175.7188 59 G 3.8034 8.8648 112.5084 48.6861 0.0000 174.8684 60 E 4.2536 8.1005 118.5958 58.3338 28.2262 176.0871 61 F 4.1540 7.7394 112.8029 60.2146 38.8825 174.9967 62 D 4.9236 7.8651 118.4716 51.7856 40.1516 175.5831 63 I 4.4099 7.6731 114.5809 60.9718 39.5398 177.3546 64 R 3.8702 7.9038 121.7249 56.2281 29.5106 174.6201 65 E 4.0140 8.1889 129.1109 58.5537 29.2703 176.3240 66 G 3.8633 8.0237 110.7507 46.6280 0.0000 171.9965 67 D 4.5360 8.2870 121.5438 51.6010 42.4151 173.5342 68 P 4.6002 0.0000 0.0000 62.5170 31.6850 176.5536 69 I 4.6647 9.1253 126.2360 59.1353 39.6561 175.0439 70 G 4.4794 7.5202 107.8108 43.4191 0.0000 172.1492 71 A 5.8993 8.0937 121.1037 49.5313 23.3433 174.8778 72 K 5.0434 8.2629 116.5626 55.9889 36.8763 175.4793 73 V 4.5516 8.5344 120.4824 61.7924 34.9058 173.3748 74 T 4.7459 8.5421 118.9313 60.4229 69.9393 173.8719 75 L 4.7847 8.4091 126.8565 52.8848 44.3152 175.9694 76 R 4.7145 7.9524 120.3032 54.7199 34.1495 176.3743 77 D 4.3838 8.9351 120.3653 55.6467 39.0135 176.4476 78 E 3.9608 8.9557 123.6690 61.0180 27.7633 178.3733 79 M 4.0583 8.2720 117.8049 58.4660 31.8219 178.4780 80 A 4.3892 7.9506 120.6512 54.8130 18.8915 179.3373 81 E 3.9544 8.0275 116.6548 59.5972 29.6017 179.0442 82 E 4.0594 8.4158 118.4280 58.9783 29.8646 178.9704 83 F 4.4142 7.5599 119.7598 60.6604 39.9671 177.6182 84 L 4.2907 8.2691 118.1560 57.2189 41.0529 178.8036 85 Q 4.1466 8.0718 116.4345 56.3575 28.3847 176.1157 86 T 4.5600 7.6450 109.1265 61.6018 74.5743 175.7369 87 A 3.9961 7.7931 124.6432 54.8591 18.3494 179.0945 88 L 3.5478 7.9843 116.5541 57.8288 41.5788 178.0032 89 P 4.1599 0.0000 0.0000 65.3882 31.2136 177.5061 90 L 4.4532 7.8493 115.4802 53.7382 41.9546 176.0783 91 A 4.8545 7.8706 121.8162 50.4847 22.0814 175.2663 92 E 4.4248 8.3513 116.7599 58.5767 31.7152 176.5833 93 L 3.7280 6.8297 116.2670 52.5858 43.4849 175.7362 94 A 4.4825 8.5864 122.5503 52.5874 21.1963 174.3574 95 T 3.2228 8.6954 112.5822 62.4174 69.5515 173.8693 96 S 3.7965 8.6941 119.4474 60.5657 63.3360 173.3809 97 Q 4.5750 10.7000 118.3497 55.8277 28.4701 174.8868 98 F 4.8891 7.7034 114.3886 55.0109 41.2384 175.0754 99 D 4.6643 9.9734 123.3500 54.4625 41.6074 175.9725 100 D 4.7098 8.5431 120.0053 55.3064 41.2318 177.4751 101 T 4.5895 7.2225 113.3544 62.2300 68.9655 174.4525 102 G 3.9425 8.3182 108.7458 46.5714 0.0000 172.9428 103 N 5.4350 7.7881 116.0296 51.3062 42.7232 173.4446 104 F 4.6576 7.6671 109.8400 56.2036 41.2266 173.0115 105 S 5.0897 8.7750 116.0964 56.4594 64.9835 172.6711 106 F 4.9341 8.6946 120.7620 55.3861 41.5677 172.7668 107 G 4.2725 8.9558 102.1640 44.4373 0.0000 173.4040 *128 L 4.0129 8.5113 123.2764 55.1471 43.5868 176.2129 129 D 4.9180 8.5670 126.0359 52.8729 43.8027 176.2054 130 V 4.1584 7.9719 121.0601 61.8247 34.3832 173.9494 131 T 4.6523 8.5202 125.3220 61.7167 70.9919 174.2610 132 V 4.3021 7.7654 124.3807 61.0707 34.3337 173.6917 133 N 4.8923 8.5983 127.4582 52.4787 40.1043 173.5947 134 L 5.2718 8.2153 125.9439 53.2377 44.5734 175.8223 135 V 4.2841 7.8972 120.9925 61.3160 35.2235 171.6946 136 R 4.4139 8.1372 116.5267 54.7452 31.5396 177.2118 137 P 3.9876 0.0000 0.0000 65.1178 32.1619 177.0433 138 G 4.1819 7.8812 107.0173 45.9167 0.0000 175.4064 139 Y 4.2368 8.1534 123.0168 60.0999 38.9467 175.9862 140 R 4.0683 8.2647 119.4031 59.4889 29.8401 178.1714 141 V 3.5383 7.4944 116.2328 65.0868 31.1788 176.6809 142 A 4.7608 7.7313 119.2207 50.8984 19.5194 176.9794 143 K 4.2834 7.6384 115.5750 55.7149 33.7967 176.5789 144 R 4.3409 7.5448 115.4183 55.1613 31.0042 176.4755 145 D 4.4440 8.4803 117.3097 57.0525 41.5231 177.6536 146 K 4.0590 7.9246 118.4305 57.3850 32.7181 176.9045 147 A 3.7670 8.7611 124.5123 52.4472 16.2905 176.9550 148 S 4.5103 7.1056 111.7510 60.9432 63.7662 173.3886 149 R 4.5920 8.7468 119.0697 55.2002 33.7717 173.7027 150 S 4.4705 8.5458 119.4710 57.6961 63.3087 173.9058 151 I 3.8663 8.3198 128.0622 60.5396 37.8258 174.3351 152 P 4.4215 0.0000 0.0000 62.6598 32.1323 177.2763 153 T 3.9307 8.7473 112.5606 65.2710 68.1094 176.7202 154 K 4.0192 7.9674 119.7084 59.2758 32.2854 177.7820 155 H 4.5977 7.8749 114.7118 55.8503 30.0443 175.2209 156 R 4.2492 7.2805 118.8901 56.3040 30.5649 175.2241 157 L 4.5158 8.1509 120.8049 53.8441 43.3105 175.7387 158 N 4.7058 8.1724 123.2682 51.6966 41.0806 174.5039 159 P 4.3237 0.0000 0.0000 65.9248 31.4330 178.7441 160 A 3.8598 7.8983 118.7619 55.3676 18.3933 179.1587 161 D 4.4358 8.2029 116.0362 56.6461 40.8584 178.8870 162 A 4.1646 7.6096 121.6253 54.8632 19.0599 179.3046 163 V 3.1725 7.5050 116.4961 66.3309 31.2906 177.6390 164 A 3.8943 7.9479 120.0422 55.2144 17.9754 178.8805 165 F 4.1312 7.6876 117.3800 61.8303 39.6834 177.5578 166 I 3.4944 7.8618 118.6359 64.4106 36.8291 177.8888 167 E 4.4730 8.1863 120.3861 58.5057 29.3481 177.5356 168 S 4.5600 8.0105 111.9314 57.9282 64.8308 175.0560 169 T 4.7612 7.9606 113.2249 62.5909 70.4690 173.2265 170 Y 3.3760 7.9523 116.7881 57.9929 35.3005 169.0023 171 D 4.4147 6.9085 117.3303 54.0755 43.7322 175.3553 172 V 4.7462 8.0132 117.0529 61.2455 35.7236 178.3290 173 E 4.3637 8.9346 122.4120 56.2888 28.7702 177.3243 174 V 3.9782 7.8050 116.6734 63.7027 31.7472 175.0675 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 10 F 8.31 4.82 0.00 3.22 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 H 5.29 3.89 0.00 3.12 2.38 0.00 5.54 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 9.46 3.96 0.00 1.62 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 2.07 2.16 0.00 13 M 8.56 4.60 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 14 R 7.74 4.58 0.00 1.78 1.97 0.00 3.43 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 15 E 7.95 4.12 0.00 2.15 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 2.32 2.29 0.00 16 P 0.00 4.26 0.00 1.04 1.64 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 17 R 7.51 4.16 0.00 1.77 1.82 0.00 2.73 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 18 I 8.46 4.24 1.98 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 1.46 0.92 0.97 0.00 0.00 19 E 8.86 4.48 0.00 1.82 1.70 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 2.18 2.21 0.00 20 K 8.73 4.60 0.00 2.09 1.96 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.30 7.81 21 V 7.83 4.58 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.95 0.00 0.00 22 V 8.37 4.41 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 0.88 0.00 0.00 0.84 0.00 0.00 23 V 8.25 5.09 1.92 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 -0.12 0.00 0.00 0.70 0.00 0.00 24 H 8.55 5.25 0.00 3.15 2.98 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.57 4.27 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 26 G 7.99 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 27 I 7.66 4.15 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.73 0.74 0.00 0.00 28 G 7.78 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 29 H 7.89 4.57 0.00 3.16 3.34 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.03 4.20 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 36 N 8.84 4.28 0.00 2.92 3.13 0.00 0.00 5.87 7.46 0.00 0.00 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 A 7.97 4.13 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 38 E 8.54 3.91 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 39 D 7.50 4.45 0.00 2.74 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 40 I 7.57 3.77 1.88 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 1.71 1.16 0.92 0.00 0.00 41 L 7.89 4.12 0.00 1.91 1.73 0.87 0.88 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 42 G 8.39 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 7.81 4.14 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 44 I 8.22 3.95 2.02 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.85 1.09 0.00 0.00 45 T 7.96 4.60 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 0.96 0.00 0.00 46 G 7.11 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 7.78 4.58 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.60 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 48 M 8.48 3.78 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 49 P 0.00 4.84 0.00 1.91 1.94 0.00 3.60 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 50 V 8.34 4.46 2.05 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 1.05 0.00 0.00 0.91 0.00 0.00 51 R 8.75 4.36 0.00 1.72 1.85 0.00 3.35 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 52 T 8.69 4.49 4.37 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 1.21 0.00 0.00 53 K 8.80 5.34 0.00 1.63 1.73 0.00 1.72 0.00 0.00 2.36 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.28 7.81 54 A 8.82 4.89 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 0.00 0.00 0.00 0.00 0.00 55 K 8.46 4.56 0.00 1.62 1.70 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.42 7.81 56 R 8.70 4.23 0.00 1.99 2.02 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 57 T 8.21 4.59 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 1.24 0.00 0.00 58 V 8.91 4.54 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 0.99 0.00 0.00 0.94 0.00 0.00 59 G 8.86 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 0.00 0.00 0.00 60 E 8.10 4.25 0.00 2.14 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 0.00 2.31 2.34 0.00 61 F 7.74 4.15 0.00 3.03 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 62 D 7.87 4.92 0.00 2.93 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 63 I 7.67 4.41 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.86 1.05 0.00 0.00 64 R 7.90 3.87 0.00 1.77 2.03 0.00 3.20 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 65 E 8.19 4.01 0.00 2.02 1.80 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 2.29 2.32 0.00 66 G 8.02 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.29 4.54 0.00 2.64 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 68 P 0.00 4.60 0.00 1.94 2.03 0.00 3.61 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 2.01 2.11 0.00 69 I 9.13 4.66 1.96 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 1.14 1.08 0.94 0.00 0.00 70 G 7.52 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 71 A 8.09 5.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.26 5.04 0.00 1.75 1.87 0.00 1.42 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.39 7.81 73 V 8.53 4.55 1.92 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 0.84 0.00 0.00 0.86 0.00 0.00 74 T 8.54 4.75 4.19 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 1.15 0.00 0.00 75 L 8.41 4.78 0.00 1.48 1.51 0.52 0.72 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 76 R 7.95 4.71 0.00 1.62 1.77 0.00 3.31 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 77 D 8.94 4.38 0.00 2.89 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.96 3.96 0.00 2.02 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 2.42 2.42 0.00 79 M 8.27 4.06 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.59 0.00 80 A 7.95 4.39 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.03 3.95 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 82 E 8.42 4.06 0.00 2.02 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 0.00 2.36 2.53 0.00 83 F 7.56 4.41 0.00 3.31 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 84 L 8.27 4.29 0.00 2.00 1.81 1.10 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.07 4.15 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.72 0.00 0.00 0.00 0.00 0.00 2.19 2.47 0.00 86 T 7.65 4.56 4.10 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 0.00 0.00 0.00 1.14 0.00 0.00 87 A 7.79 4.00 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 88 L 7.98 3.55 0.00 1.71 1.67 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.16 0.00 1.98 2.12 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.19 0.00 90 L 7.85 4.45 0.00 1.79 1.73 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.87 4.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.35 4.42 0.00 1.93 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 2.19 2.29 0.00 93 L 6.83 3.73 0.00 1.72 1.85 1.02 0.77 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 94 A 8.59 4.48 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 95 T 8.70 3.22 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 1.13 0.00 0.00 96 S 8.69 3.80 0.00 4.23 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 0.00 97 Q 10.70 4.58 0.00 2.14 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 98 F 7.70 4.89 0.00 3.02 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 9.97 4.66 0.00 2.82 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 0.00 100 D 8.54 4.71 0.00 2.73 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.22 4.59 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 1.24 0.00 0.00 102 G 8.32 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 7.79 5.44 0.00 2.86 2.78 0.00 0.00 6.58 8.13 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 0.00 104 F 7.67 4.66 0.00 2.48 1.64 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 0.00 105 S 8.78 5.09 0.00 3.72 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 0.00 106 F 8.69 4.93 0.00 3.16 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 0.00 107 G 8.96 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 0.00 0.00 0.00 *128 L 8.51 4.01 0.00 1.75 1.60 0.94 1.16 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 0.00 129 D 8.57 4.92 0.00 2.72 2.44 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 0.00 130 V 7.97 4.16 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 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 131 T 8.52 4.65 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 1.04 0.00 0.00 132 V 7.77 4.30 1.27 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 1.07 0.00 0.00 0.76 0.00 0.00 133 N 8.60 4.89 0.00 2.79 2.88 0.00 0.00 6.58 6.48 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 0.00 134 L 8.22 5.27 0.00 1.75 1.52 1.33 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.90 4.28 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.74 0.00 0.00 136 R 8.14 4.41 0.00 1.81 1.96 0.00 2.97 0.00 0.00 3.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 137 P 0.00 3.99 0.00 2.27 2.13 0.00 3.62 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 1.90 2.11 0.00 138 G 7.88 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 0.00 139 Y 8.15 4.24 0.00 3.19 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 0.00 140 R 8.26 4.07 0.00 1.93 1.94 0.00 3.25 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 141 V 7.49 3.54 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 0.98 0.00 0.00 0.95 0.00 0.00 142 A 7.73 4.76 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.64 4.28 0.00 1.62 1.76 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.82 1.47 7.81 144 R 7.54 4.34 0.00 1.89 1.92 0.00 3.10 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.60 0.00 145 D 8.48 4.44 0.00 2.67 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 0.00 146 K 7.92 4.06 0.00 1.80 1.71 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.76 3.77 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 0.00 148 S 7.11 4.51 0.00 3.89 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.75 4.59 0.00 1.82 1.72 0.00 3.07 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 150 S 8.55 4.47 0.00 3.91 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 0.00 151 I 8.32 3.87 1.98 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 1.40 1.12 1.05 0.00 0.00 152 P 0.00 4.42 0.00 2.21 2.00 0.00 3.66 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 153 T 8.75 3.93 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 1.23 0.00 0.00 154 K 7.97 4.02 0.00 1.77 1.95 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.58 7.81 155 H 7.87 4.60 0.00 3.17 3.46 0.00 5.94 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.28 4.25 0.00 2.08 1.89 0.00 3.42 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.75 0.00 157 L 8.15 4.52 0.00 1.67 1.72 0.90 0.57 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 0.00 158 N 8.17 4.71 0.00 2.91 2.72 0.00 0.00 6.59 7.91 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 0.00 159 P 0.00 4.32 0.00 2.16 2.24 0.00 3.62 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.46 0.00 160 A 7.90 3.86 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 0.00 161 D 8.20 4.44 0.00 2.71 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 0.00 162 A 7.61 4.16 1.58 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 0.00 0.00 163 V 7.50 3.17 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 0.69 0.00 0.00 0.21 0.00 0.00 164 A 7.95 3.89 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 0.00 165 F 7.69 4.13 0.00 3.14 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.86 3.49 1.85 0.00 0.00 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 1.65 1.00 0.88 0.00 0.00 167 E 8.19 4.47 0.00 1.88 2.13 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 2.27 2.19 0.00 168 S 8.01 4.56 0.00 3.86 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 0.00 169 T 7.96 4.76 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 1.15 0.00 0.00 170 Y 7.95 3.38 0.00 3.02 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 0.00 171 D 6.91 4.41 0.00 2.87 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 0.00 172 V 8.01 4.75 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 0.83 0.00 0.00 0.89 0.00 0.00 173 E 8.93 4.36 0.00 1.97 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 2.42 2.20 0.00 174 V 7.81 3.98 2.05 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 1.02 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.