NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.2413 0.0000 0.0000 62.4966 33.7715 174.7366 2 H 5.0424 8.0498 122.3428 54.1581 32.4749 171.4251 3 F 5.5776 9.0219 124.9360 55.7024 43.0466 173.7702 4 L 4.3899 8.1176 123.3631 53.5397 44.0253 175.3318 5 I 4.6569 8.2586 127.9438 60.0045 38.4815 174.1139 6 L 5.0867 8.8543 130.7742 53.3797 44.0472 174.6796 7 N 5.4336 9.2618 124.3634 51.7849 41.5603 175.2014 8 G 4.2669 8.8025 113.3996 43.2001 0.0000 170.9258 9 P 4.8743 0.0000 0.0000 63.7238 31.6501 176.6542 10 N 4.4247 8.6272 116.6892 53.7585 37.7852 176.7098 11 V 3.5105 7.4722 118.6405 65.5409 31.7402 177.6055 12 N 4.3355 8.0634 115.9543 55.2177 37.1428 175.5216 13 R 4.1563 8.0117 117.4277 55.7514 30.5522 175.3777 14 L 3.7220 7.4023 119.6831 57.9260 41.5585 176.8678 15 G 3.9340 9.2332 115.3110 46.1714 0.0000 175.4446 16 S 4.3285 7.7651 114.7449 60.5188 63.0938 173.8083 17 R 4.4613 7.1191 118.0285 56.5828 31.6790 175.3592 18 E 3.8770 8.0781 114.7492 55.5892 27.4135 170.6882 19 P 5.3569 0.0000 0.0000 63.5950 32.3635 178.7442 20 E 4.1291 8.4556 116.9467 59.5388 29.4037 178.6291 21 V 3.5045 7.7946 117.7827 64.8489 31.6020 176.5215 22 F 4.7350 8.1600 113.9095 56.8867 39.6630 174.9872 23 G 3.9054 9.4142 111.5648 45.7837 0.0000 175.0795 24 R 4.5739 8.0965 114.5292 55.4869 31.2499 174.6427 25 Q 4.2723 7.9443 114.7796 57.2392 29.4529 176.4827 26 T 4.8230 8.7941 112.6638 59.6123 72.2812 175.3874 27 L 3.8593 8.1450 120.9224 58.4323 41.8484 178.8315 28 T 3.6850 7.7161 115.2338 66.6827 68.5070 175.8382 29 D 4.3123 7.8913 120.6491 57.7112 40.8777 179.2106 30 I 3.6317 7.6536 119.9649 64.2501 36.9326 178.1807 31 E 3.2231 8.0134 120.2126 59.1749 29.3781 178.9357 32 T 3.7779 7.9314 116.0693 66.6922 68.4140 176.3189 33 D 4.3763 8.0872 120.6825 57.4765 40.8119 178.9126 34 L 4.1887 8.2463 121.9536 58.2146 41.4824 180.2233 *35 F 4.2207 8.4660 120.9465 62.1634 37.9836 179.8997 36 Q 4.2363 8.0410 119.0150 58.9306 28.3067 179.3548 37 F 4.0285 8.4019 120.2087 61.1065 39.8287 176.7646 38 A 4.1680 8.9042 120.8139 55.3116 18.2114 179.0775 39 E 3.8363 8.4463 117.2529 59.8525 29.4832 179.6317 40 A 4.1915 7.7360 119.3721 53.9806 18.4156 178.3392 41 L 4.3206 7.6522 116.0885 52.9136 42.6375 182.0665 42 H 4.2332 7.8827 114.8398 57.2204 26.1174 173.6749 43 I 4.6194 7.0907 111.0511 59.6769 41.1283 175.6324 44 Q 4.6570 8.9402 122.6922 54.6495 31.0573 174.7553 45 L 5.3589 8.2856 120.1933 53.3634 45.8599 175.9337 46 T 4.6551 8.4596 118.2568 61.7874 71.7148 173.0157 47 F 5.1511 8.8234 123.8786 55.8777 41.7150 174.9925 48 F 5.0510 9.0021 123.8965 56.9551 42.8856 172.8002 49 Q 4.9330 7.9755 126.3228 54.5459 31.4393 174.1055 50 S 4.4804 8.3380 117.4318 57.4835 66.4943 174.4398 51 N 4.7010 8.9514 120.9391 53.6824 39.3407 174.1416 52 H 5.0578 8.2971 117.6933 53.9027 30.6113 175.1069 53 E 3.9964 9.1722 125.3688 59.6946 29.3473 179.2726 54 G 3.7155 8.1583 104.8462 47.9370 0.0000 175.2287 55 D 4.4581 8.1745 120.8696 57.1680 40.8019 178.8033 56 L 4.1066 7.9370 119.0688 57.7783 41.6405 179.3390 57 I 3.6175 7.7202 119.7014 64.5433 37.0751 178.0619 58 D 4.2762 8.1825 119.3455 57.4023 40.6637 178.8411 59 A 3.9491 8.1577 121.1201 55.1754 18.1509 179.7980 60 I 3.6778 7.6645 117.2137 64.9240 37.3164 177.8866 61 H 4.3869 8.0859 115.7777 59.2222 28.9274 177.3758 62 E 4.1571 8.3701 119.0858 58.3245 29.3242 178.9309 63 A 4.2995 7.9862 121.6900 55.1565 18.2860 178.8633 64 E 3.9973 8.3789 117.3079 59.2502 29.2811 177.8770 65 E 4.5820 7.4777 113.8947 56.3045 29.9429 176.2669 66 Q 4.0974 7.5149 117.4353 55.5560 31.4754 173.7601 67 Y 5.0250 8.0681 114.1011 56.2831 40.9690 175.2724 68 S 4.7969 8.8804 113.4575 57.2499 63.6449 174.0316 69 G 4.2815 7.3770 109.0604 46.7570 0.0000 172.2084 70 I 5.1212 7.8946 120.7395 59.3264 41.7321 174.7441 71 V 4.5338 8.6435 126.8074 61.3540 33.2430 173.7714 72 L 5.0499 8.6720 131.1147 53.3260 44.5446 174.5675 73 N 5.3700 9.3094 125.2473 50.2294 40.1646 172.2853 74 P 4.4705 0.0000 0.0000 61.7011 32.7606 177.9471 75 G 4.1135 8.4006 108.4114 46.2723 0.0000 174.6966 76 A 4.3009 8.5164 119.8723 54.2227 18.4407 179.4298 77 L 3.3470 7.6124 117.4119 56.8234 41.4734 179.0300 78 S 3.9638 7.6736 113.4226 61.8249 62.0114 175.5675 79 H 4.8465 7.7402 116.3026 57.6679 28.7498 175.6434 80 Y 4.6497 7.3602 113.9625 55.7513 41.1646 176.1042 81 S 4.2776 7.6125 116.9772 57.0969 60.9196 173.3484 82 Y 4.1983 7.9476 124.9834 60.2830 37.7489 177.5804 83 A 4.1196 8.0258 121.6292 55.0567 18.5539 179.5494 84 I 3.7108 7.6970 118.1254 64.1273 37.1507 178.1674 85 R 3.9003 7.8161 119.2613 60.0351 29.6668 178.3299 86 D 4.4447 8.1026 116.8106 57.0295 41.1392 178.5453 87 A 4.2372 7.8308 121.6047 55.2462 18.3177 179.7333 88 V 3.5842 7.8968 116.7466 66.4379 31.3837 178.4007 89 S 4.2464 8.0816 113.5836 60.6656 62.7384 175.6931 90 S 4.5566 7.7019 115.1058 57.6578 63.4558 173.5439 91 I 4.7954 7.0827 115.2860 58.4568 39.9153 175.5716 92 S 4.5304 8.9793 114.9170 59.0103 63.7358 174.8249 93 L 4.4142 7.7151 121.3163 53.7942 42.5404 174.9985 94 P 4.4625 0.0000 0.0000 62.9626 32.7149 175.0216 95 V 4.8671 8.5277 123.7579 60.9105 34.6384 173.9028 96 V 4.7415 8.5317 127.5955 61.0458 33.8473 173.9830 97 E 4.7513 8.7884 129.5377 55.7095 31.0503 175.2451 98 V 5.1459 8.3331 125.0726 60.5010 35.0556 173.7306 99 H 4.7225 8.2919 122.6164 54.4600 32.8966 174.1970 100 L 4.1859 8.8510 123.1347 57.6082 42.6715 177.8509 101 S 4.4884 8.1025 111.2964 57.3330 64.2790 173.8869 102 N 4.4883 8.1655 120.1457 52.3333 37.5774 175.2672 103 L 3.7744 7.9312 125.9572 57.6238 41.9479 179.5770 104 Y 3.8121 7.0790 114.4545 60.2509 37.7615 176.7987 105 A 4.4371 7.8168 120.6381 52.1792 19.6503 177.1863 106 R 4.7894 7.4593 116.6958 54.5075 32.5464 175.7085 107 E 3.9769 8.3476 118.0779 57.2392 30.3535 177.4161 108 E 3.3889 8.8210 123.0220 59.1744 29.7087 179.1906 109 F 4.2264 8.0418 111.8639 59.2442 37.8864 175.7639 110 R 3.4197 6.8894 118.5810 56.3146 29.9160 176.4827 111 H 4.7735 7.8755 115.0731 55.9587 29.2061 175.1107 112 Q 4.7217 7.7922 117.0504 54.0944 31.2845 174.3368 113 S 4.8771 8.6252 114.4233 56.8803 64.2798 174.1261 114 V 4.1396 8.5900 120.1678 61.7368 32.2218 176.7816 115 I 4.1161 7.9332 121.4247 62.7708 38.3025 177.7967 116 A 4.0275 8.0624 122.8833 54.6834 18.3808 177.3846 117 P 4.2418 0.0000 0.0000 65.4209 31.3722 177.3860 118 V 4.1099 7.6743 107.8442 60.9694 32.0530 175.4875 119 A 4.6622 7.5491 123.3013 50.1372 20.6685 177.6716 120 K 4.0506 8.7606 119.4093 58.4205 32.3957 177.6281 121 G 3.9046 6.9625 103.4482 46.4724 0.0000 171.3303 122 Q 5.1916 8.3822 119.2748 54.4478 32.8624 174.3967 123 I 4.6049 8.5983 124.2149 59.5387 40.7127 174.5779 124 V 4.6023 8.3110 126.3831 62.1047 34.1169 175.8896 125 G 3.9323 8.6066 113.9338 45.9058 0.0000 173.5161 126 L 4.4194 7.7870 118.3047 54.0929 42.3173 178.5065 127 G 3.9040 8.0819 109.8660 45.5457 0.0000 174.6574 128 A 4.2158 8.4736 118.7512 54.9793 18.3421 179.4312 129 E 3.9871 8.4549 117.8199 59.3940 29.5176 179.0720 130 G 3.5847 8.1788 105.8975 47.7652 0.0000 175.3103 131 Y 4.0430 7.7616 118.6183 60.9040 37.8813 178.7868 132 K 3.6150 7.9068 118.8477 59.3379 32.1032 179.2143 133 L 4.0709 7.9242 119.0346 57.8248 41.4476 179.5277 134 A 4.0950 8.0478 120.7537 54.9319 18.2369 179.8813 135 V 3.4104 7.9693 116.9989 66.1552 31.6361 178.4931 136 R 4.0206 8.6236 118.3072 59.3303 29.7045 178.1488 137 Y 4.1193 8.1954 118.5586 60.9263 39.0798 177.8667 138 L 3.7868 8.0449 119.6936 57.7063 41.4078 179.5251 139 L 4.1666 7.8275 117.8830 58.0568 41.7398 179.3869 140 S 4.1878 7.8461 112.5249 61.5070 62.6806 174.8685 141 Q 4.1080 7.8527 125.4353 55.9205 28.6718 175.5595 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 1 P 0.00 4.24 0.00 1.69 1.67 0.00 3.42 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 2 H 8.05 5.04 0.00 3.11 3.12 0.00 5.55 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.02 5.58 0.00 3.01 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 4 L 8.12 4.39 0.00 0.87 1.22 0.87 0.96 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 5 I 8.26 4.66 1.58 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 0.53 0.73 1.02 0.00 0.00 6 L 8.85 5.09 0.00 1.73 1.56 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 7 N 9.26 5.43 0.00 2.62 2.67 0.00 0.00 6.38 7.97 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 8 G 8.80 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 9 P 0.00 4.87 0.00 2.19 2.22 0.00 3.58 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 10 N 8.63 4.42 0.00 3.08 2.98 0.00 0.00 6.54 7.56 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 11 V 7.47 3.51 2.12 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 1.05 0.00 0.00 1.05 0.00 0.00 12 N 8.06 4.34 0.00 2.80 3.02 0.00 0.00 6.01 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 13 R 8.01 4.16 0.00 1.86 1.92 0.00 3.27 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 14 L 7.40 3.72 0.00 1.61 1.57 0.53 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.23 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 0.00 0.00 0.00 16 S 7.77 4.33 0.00 3.92 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 17 R 7.12 4.46 0.00 2.04 1.96 0.00 3.19 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 18 E 8.08 3.88 0.00 2.03 1.78 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 2.22 1.93 0.00 19 P 0.00 5.36 0.00 2.25 2.44 0.00 3.88 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.93 0.00 20 E 8.46 4.13 0.00 2.03 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 2.28 2.39 0.00 21 V 7.79 3.50 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 0.00 0.00 0.46 0.00 0.00 0.71 0.00 0.00 22 F 8.16 4.73 0.00 2.89 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 23 G 9.41 3.91 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 0.00 0.00 0.00 24 R 8.10 4.57 0.00 1.80 1.79 0.00 3.27 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 25 Q 7.94 4.27 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 26 T 8.79 4.82 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 1.17 0.00 0.00 27 L 8.15 3.86 0.00 1.68 1.60 0.78 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.72 3.68 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 29 D 7.89 4.31 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.65 3.63 1.81 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 1.37 0.68 0.62 0.00 0.00 31 E 8.01 3.22 0.00 1.44 1.68 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 1.82 1.47 0.00 32 T 7.93 3.78 4.38 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 1.23 0.00 0.00 33 D 8.09 4.38 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.25 4.19 0.00 2.05 2.06 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *35 F 8.47 4.22 0.00 2.27 2.30 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 36 Q 8.04 4.24 0.00 2.38 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 37 F 8.40 4.03 0.00 3.18 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 38 A 8.90 4.17 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.45 3.84 0.00 2.26 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 0.00 2.34 2.25 0.00 40 A 7.74 4.19 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.65 4.32 0.00 1.58 1.50 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 42 H 7.88 4.23 0.00 3.18 3.29 0.00 5.82 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.09 4.62 1.84 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 1.34 0.46 0.92 0.00 0.00 44 Q 8.94 4.66 0.00 1.57 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 45 L 8.29 5.36 0.00 1.34 1.05 1.09 0.94 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 46 T 8.46 4.66 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 1.29 0.00 0.00 47 F 8.82 5.15 0.00 2.98 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 48 F 9.00 5.05 0.00 3.13 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 49 Q 7.98 4.93 0.00 1.91 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.48 0.00 0.00 0.00 0.00 0.00 2.28 2.15 0.00 50 S 8.34 4.48 0.00 3.74 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.95 4.70 0.00 2.79 2.78 0.00 0.00 6.86 8.16 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 52 H 8.30 5.06 0.00 3.34 3.25 0.00 5.64 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 53 E 9.17 4.00 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 2.37 2.34 0.00 54 G 8.16 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.17 4.46 0.00 3.09 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 56 L 7.94 4.11 0.00 1.82 1.75 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.72 3.62 1.97 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 1.50 0.81 0.77 0.00 0.00 58 D 8.18 4.28 0.00 2.85 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.16 3.95 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 60 I 7.66 3.68 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.70 0.98 0.00 0.00 61 H 8.09 4.39 0.00 3.20 3.38 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.37 4.16 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 63 A 7.99 4.30 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 4.00 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 65 E 7.48 4.58 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 66 Q 7.51 4.10 0.00 1.59 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.74 0.00 67 Y 8.07 5.02 0.00 2.98 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 68 S 8.88 4.80 0.00 4.14 3.99 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 69 G 7.38 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 0.00 0.00 0.00 0.00 70 I 7.89 5.12 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.74 0.90 0.00 0.00 71 V 8.64 4.53 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 1.08 0.00 0.00 0.89 0.00 0.00 72 L 8.67 5.05 0.00 1.79 1.46 0.95 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.31 5.37 0.00 2.69 2.93 0.00 0.00 6.80 7.33 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 74 P 0.00 4.47 0.00 2.18 2.20 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 75 G 8.40 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 0.00 0.00 0.00 76 A 8.52 4.30 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.61 3.35 0.00 1.67 1.41 0.83 0.22 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 78 S 7.67 3.96 0.00 3.92 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 H 7.74 4.85 0.00 3.55 3.65 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.36 4.65 0.00 2.94 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 81 S 7.61 4.28 0.00 3.46 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.95 4.20 0.00 3.15 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 83 A 8.03 4.12 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.70 3.71 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.88 0.00 0.00 85 R 7.82 3.90 0.00 1.93 2.28 0.00 3.46 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 86 D 8.10 4.44 0.00 2.76 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 87 A 7.83 4.24 1.40 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 0.00 0.00 88 V 7.90 3.58 2.26 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 1.04 0.00 0.00 1.00 0.00 0.00 89 S 8.08 4.25 0.00 4.08 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 90 S 7.70 4.56 0.00 4.04 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 91 I 7.08 4.80 2.07 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 1.13 1.18 0.96 0.00 0.00 92 S 8.98 4.53 0.00 4.01 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.72 4.41 0.00 1.62 1.72 1.13 1.16 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 94 P 0.00 4.46 0.00 2.19 2.26 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 95 V 8.53 4.87 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 0.96 0.00 0.00 1.01 0.00 0.00 96 V 8.53 4.74 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 0.75 0.00 0.00 0.89 0.00 0.00 97 E 8.79 4.75 0.00 2.07 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 2.21 2.30 0.00 98 V 8.33 5.15 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 0.73 0.00 0.00 0.73 0.00 0.00 99 H 8.29 4.72 0.00 2.98 3.08 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.85 4.19 0.00 1.85 1.83 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.10 4.49 0.00 3.58 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 0.00 102 N 8.17 4.49 0.00 2.70 2.69 0.00 0.00 6.90 6.66 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 0.00 103 L 7.93 3.77 0.00 0.95 1.46 0.50 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 7.08 3.81 0.00 2.98 2.79 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 0.00 105 A 7.82 4.44 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 0.00 106 R 7.46 4.79 0.00 1.75 1.71 0.00 2.89 0.00 0.00 3.01 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 107 E 8.35 3.98 0.00 1.44 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 2.51 2.35 0.00 108 E 8.82 3.39 0.00 1.90 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 0.00 2.32 2.21 0.00 109 F 8.04 4.23 0.00 3.10 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 6.89 3.42 0.00 1.50 1.64 0.00 2.84 0.00 0.00 3.07 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 111 H 7.88 4.77 0.00 3.20 3.49 0.00 5.61 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.79 4.72 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 113 S 8.63 4.88 0.00 3.83 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 0.00 114 V 8.59 4.14 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 0.47 0.00 0.00 0.55 0.00 0.00 115 I 7.93 4.12 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.07 0.90 0.00 0.00 116 A 8.06 4.03 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 0.00 117 P 0.00 4.24 0.00 2.09 2.19 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 118 V 7.67 4.11 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 0.70 0.00 0.00 1.09 0.00 0.00 119 A 7.55 4.66 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 0.00 120 K 8.76 4.05 0.00 1.96 1.89 0.00 2.06 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.70 7.81 121 G 6.96 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 0.00 122 Q 8.38 5.19 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.54 0.00 123 I 8.60 4.60 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.80 0.86 0.00 0.00 124 V 8.31 4.60 2.20 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 0.57 0.00 0.00 0.88 0.00 0.00 125 G 8.61 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 0.00 0.00 0.00 126 L 7.79 4.42 0.00 1.61 1.67 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.08 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 0.00 128 A 8.47 4.22 1.43 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 0.00 129 E 8.45 3.99 0.00 2.08 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 0.00 2.38 2.43 0.00 130 G 8.18 3.58 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 0.00 131 Y 7.76 4.04 0.00 3.15 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 0.00 132 K 7.91 3.61 0.00 1.68 1.12 0.00 1.59 0.00 0.00 1.18 0.00 0.00 2.76 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 1.15 7.81 133 L 7.92 4.07 0.00 1.85 1.72 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.05 4.10 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 0.00 135 V 7.97 3.41 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 1.37 0.00 0.00 1.10 0.00 0.00 136 R 8.62 4.02 0.00 2.13 2.07 0.00 3.34 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.12 0.00 137 Y 8.20 4.12 0.00 2.88 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.04 3.79 0.00 1.65 0.87 0.96 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.83 4.17 0.00 1.86 1.80 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 140 S 7.85 4.19 0.00 3.96 3.96 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 0.00 141 Q 7.85 4.11 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.58 0.00 0.00 0.00 0.00 0.00 1.45 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.