NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2990 8.1693 120.6371 53.7180 42.8530 175.8376 4 P 4.4434 0.0000 0.0000 61.6532 32.2073 173.8461 5 D 4.5044 8.5934 118.9726 55.8143 42.0418 178.4757 6 G 3.8753 9.4807 111.7502 45.0342 0.0000 172.2634 7 F 5.5219 7.7367 116.5914 55.8618 43.0564 173.4660 8 Y 5.0623 8.6901 117.9393 55.8403 41.9973 173.3148 9 I 5.0748 8.3949 119.3506 59.4494 40.9608 174.1609 10 R 4.7641 8.6008 123.2479 54.8398 33.2741 174.0352 11 R 4.4928 8.5422 120.0899 56.4122 30.7282 175.8303 12 M 4.5594 8.8864 125.2905 55.9831 33.2282 175.0329 13 E 4.9184 9.5966 123.0584 53.4677 33.7058 176.7910 14 E 4.2728 8.8640 118.5229 59.6989 29.1881 178.8939 15 G 3.9479 8.0526 103.7536 46.0017 0.0000 174.2149 16 D 4.6391 8.3355 120.7374 54.7093 40.9353 177.5186 17 L 2.9895 7.3195 121.4424 58.0520 41.9629 178.5361 18 E 3.8126 7.9018 118.2513 59.4912 29.6884 178.6411 19 Q 4.0347 7.9119 117.5810 58.7698 28.8285 178.5257 20 V 3.6306 8.2510 119.8641 66.0865 31.2907 178.2034 21 T 3.8095 7.7323 114.9442 66.5486 68.1688 175.8344 22 E 4.0714 7.9961 120.6421 59.5180 29.5427 178.9884 23 T 3.9098 8.0243 115.7315 66.7363 68.5560 176.6469 24 L 4.1648 8.2915 120.3954 56.9139 41.3664 179.3756 25 K 4.3360 7.4601 118.7737 58.3609 32.0046 178.8533 26 V 3.8180 7.4737 111.4195 62.6120 31.5637 177.1399 27 L 4.4031 7.5302 119.6625 56.6355 43.1051 175.2607 28 T 4.2387 7.1409 109.8867 61.7710 70.1407 171.1265 29 T 4.1583 8.4941 119.3321 63.6403 68.9212 174.6066 30 V 3.8601 8.6363 126.2494 63.9072 32.6406 176.8267 31 G 3.8062 7.8911 106.1486 45.0304 0.0000 171.5652 32 T 4.5272 8.2248 115.1812 61.9484 70.1093 174.2259 33 I 4.5993 7.9528 125.8424 58.9792 40.7896 175.9845 34 T 4.2327 8.2681 115.3984 60.7547 71.0217 174.0290 35 P 4.2912 0.0000 0.0000 65.7559 31.5174 178.6328 36 E 3.9331 8.1513 117.9142 59.3428 29.6522 178.9294 37 S 4.1140 8.1211 114.3798 61.3792 62.9837 176.2360 38 F 4.0437 8.4347 124.3310 61.1448 39.1327 176.9141 39 C 4.0314 8.4525 116.7189 62.7789 27.9183 176.3045 40 K 3.9610 7.9144 119.8358 59.0959 31.5415 179.2774 41 L 3.6285 7.6468 120.7690 58.0510 41.9594 179.1220 42 I 3.5279 7.3581 120.0318 63.8992 36.7102 178.3444 43 K 3.9250 7.9493 120.6782 59.5437 32.0480 178.2263 44 Y 4.2894 7.9657 119.7559 60.7234 38.5550 178.1925 45 W 4.0612 8.3314 118.5635 58.9344 29.1558 177.3070 46 N 4.7620 7.9802 114.3055 53.6325 38.4259 175.2314 47 E 4.4623 7.5128 117.3678 56.5794 32.3424 176.1445 48 A 4.2652 8.1239 121.9836 52.2956 19.0056 176.9449 49 T 5.0043 8.5405 112.3586 60.1283 71.9918 173.5785 50 V 4.2928 8.1909 123.1599 60.7641 32.8154 175.7028 51 W 4.3772 8.8624 135.0000 57.8176 32.0523 172.3634 52 N 3.5099 7.4827 124.1094 52.9508 43.4962 174.8622 *56 D 4.3254 8.6674 113.5897 53.2700 42.9779 174.7968 57 K 4.3698 8.3982 122.6000 54.5006 34.1460 175.9781 58 K 4.2440 8.6622 126.4016 55.4018 31.6882 175.6620 59 I 3.9994 7.8114 125.5738 59.3696 39.1596 175.0925 60 M 4.5046 8.1548 127.5455 54.9666 32.1588 176.6383 61 Q 3.9145 9.0161 125.4314 58.7010 30.3122 175.4418 62 Y 4.5423 7.8126 114.6550 55.7568 39.8748 176.2589 63 N 5.1286 8.4943 119.3171 51.0856 39.1908 171.4419 64 P 4.7915 0.0000 0.0000 62.8064 33.3672 176.8164 65 M 5.3380 9.3237 123.8845 53.4794 36.0989 175.0446 66 V 4.9074 8.7310 113.8853 59.7468 36.2669 174.5643 67 I 4.7078 8.4797 125.1267 59.8141 39.2085 174.7844 68 V 4.5817 8.3092 127.1406 60.8065 34.6094 173.8685 69 D 4.1553 8.8761 128.4183 53.4791 41.2312 177.0079 70 K 4.1211 8.7671 127.3077 59.3772 32.1109 179.0449 71 R 4.0343 8.2280 119.3650 58.9448 29.9741 177.5340 72 T 4.4654 7.5050 102.5422 60.1460 70.1364 173.2212 73 E 3.8588 7.8162 120.1179 58.3364 27.4988 174.7128 74 T 4.7992 7.2109 114.3859 61.4285 71.6588 175.9873 75 V 3.9565 9.0170 127.3978 63.4218 31.5849 175.4130 76 A 4.2859 9.1198 129.1871 52.5352 21.0582 175.8772 77 A 4.8920 7.4275 114.6248 51.6732 22.7315 175.1696 78 T 5.0130 8.8452 113.7198 61.0709 71.6063 172.7722 79 G 4.5761 8.6141 111.8185 45.6806 0.0000 171.4825 80 N 5.5971 8.8339 117.7370 50.6757 43.0976 172.7867 81 I 4.8635 8.1435 122.7220 59.2900 40.9134 174.1574 82 I 4.3972 8.6355 130.3391 59.6047 39.5005 174.4795 83 I 4.6586 8.2037 128.0113 59.6068 38.6832 174.6380 84 E 4.6182 9.0208 128.3853 54.2760 32.1791 174.3335 85 R 4.8598 8.6389 127.1758 55.3027 31.6332 175.2859 86 K 4.6781 9.1742 125.4403 55.0333 35.7333 177.0583 87 I 3.9658 8.3066 120.3003 63.5420 38.0266 177.0460 88 I 3.9472 7.5596 112.7407 61.8740 37.9800 174.3245 89 H 3.7975 8.9221 117.3006 57.9782 28.1482 174.3535 90 E 3.6469 8.7547 112.2215 58.0550 27.2256 175.3678 91 L 4.5103 7.6567 113.7258 55.0458 40.2018 175.3869 92 G 4.0459 8.2238 106.0035 46.2631 0.0000 172.8631 93 L 5.3970 8.6529 119.7067 52.9068 44.4847 175.1273 94 C 4.7492 9.1022 123.9883 57.3844 34.4203 172.7033 95 G 4.1500 8.4231 113.1867 45.1723 0.0000 172.3518 96 H 5.2327 8.9812 120.5555 53.7027 31.7401 172.9121 97 I 4.5204 8.4843 125.5597 60.9786 37.9144 175.6693 98 E 4.5843 8.9615 124.8260 54.6983 34.4712 174.4750 99 D 4.5218 8.3254 118.6267 55.5652 38.2547 173.7624 100 I 4.6870 7.4804 117.7887 60.3682 38.8902 177.2922 101 A 4.6252 8.8936 127.9286 50.6144 23.0215 174.8377 102 V 4.6599 8.1502 121.7185 60.6119 34.0002 175.0742 103 N 4.3968 8.9341 125.2631 53.7358 39.5498 175.8285 104 S 4.0438 9.1466 117.3967 61.4929 62.4157 176.6381 105 K 4.0478 8.0057 116.6658 58.8480 32.4775 176.7566 106 Y 4.6013 7.7872 115.9456 57.7122 37.5240 175.9885 107 Q 4.0656 7.8639 120.0332 56.7801 29.3187 176.3633 108 G 3.8007 8.6415 106.6058 46.9787 0.0000 174.2320 109 Q 4.4428 7.7950 112.7358 55.0681 29.8229 176.8540 110 G 4.0009 8.2439 107.1486 45.4946 0.0000 175.7688 111 L 3.9831 7.7222 120.2451 57.3534 41.5606 179.2488 112 G 3.5920 7.9588 105.3706 47.7534 0.0000 175.4944 113 K 3.9839 8.2358 121.9803 59.0659 32.2980 178.6360 114 L 3.9744 7.9782 119.3424 57.6184 41.5309 179.2118 115 L 3.9348 8.1602 120.3557 58.2893 41.9994 179.0487 116 I 3.7740 7.9870 119.7072 64.6132 37.0792 178.0372 117 D 4.4271 8.4750 119.9921 57.6748 40.6645 179.0909 118 Q 4.0129 8.1995 118.4018 58.8893 28.7209 178.7430 119 L 3.9697 8.1159 120.1448 57.6541 41.5487 179.6812 120 V 3.3931 8.1574 118.6012 66.2535 31.3798 178.2269 121 T 3.8940 8.0258 115.4368 66.6608 68.1307 176.6577 122 I 3.4950 7.7872 121.8252 64.1155 37.2093 178.7808 123 G 3.4556 7.9241 106.3852 47.9828 0.0000 175.9318 124 F 4.6490 8.0762 120.9656 60.1516 38.6540 177.6222 125 D 4.4519 8.2952 118.2996 57.2072 40.6419 177.6577 126 Y 4.6254 7.4281 115.5508 58.7785 38.0691 176.3821 127 G 4.1403 7.9324 108.4513 45.2625 0.0000 173.6440 128 C 4.5000 7.7913 116.9935 59.9592 28.4811 173.7597 129 Y 4.4733 8.5655 121.8270 58.7353 38.5267 175.2757 130 K 4.7634 6.8057 118.1191 55.8506 36.1138 174.6198 131 I 4.9976 8.0781 121.0601 59.4535 40.3755 174.8524 132 I 4.9400 8.6428 119.6005 59.3358 41.2483 173.9723 133 L 4.7535 8.1808 121.2699 55.0410 43.0989 174.1259 134 D 4.9874 8.4163 119.4219 52.8313 43.3486 175.5160 135 C 4.7772 7.9768 115.3693 56.7643 32.6985 173.4935 136 D 4.5972 8.4631 120.2094 53.8173 41.4195 177.0767 137 E 3.9415 8.9613 121.9181 59.6608 29.1335 179.4159 138 K 4.0354 8.1156 117.3073 59.5529 32.8102 177.7233 139 N 4.7170 8.3962 116.0344 53.4615 38.7996 176.9747 140 V 3.7405 7.8244 121.2384 66.2738 31.6433 178.0417 141 K 4.1768 8.0977 117.5291 59.1837 31.7752 178.9660 142 F 4.1183 8.1688 120.6111 61.6751 39.3656 176.7450 143 Y 3.6660 7.8308 116.1696 60.7817 37.5099 178.3132 144 E 4.6029 8.4569 121.3530 58.8989 29.3638 179.4259 145 K 4.0483 7.9987 117.2786 58.7405 32.0932 178.0580 146 C 4.4914 7.3128 115.3271 59.3335 28.3308 174.3693 147 G 3.9354 8.2433 109.4988 45.1838 0.0000 174.0039 148 F 4.4277 8.4603 118.9995 56.4376 40.1593 174.8043 149 S 4.9885 8.1343 115.6824 55.9584 66.0215 173.3782 150 N 4.3621 8.8219 119.7373 54.1153 39.0123 174.3942 151 A 4.6933 9.3635 125.7406 50.4997 21.2902 176.0805 152 G 3.9118 6.8702 100.3670 45.8800 0.0000 171.0486 153 V 4.3419 7.9762 118.9033 60.7830 33.8023 175.5452 154 E 4.3304 8.6881 127.7468 55.6359 30.4020 175.2384 155 M 4.9149 8.4307 124.9610 53.6042 35.3281 174.7486 156 Q 4.6425 8.2127 117.6992 54.6966 31.9414 173.9613 157 I 4.6109 8.0485 117.8541 59.3596 41.1017 174.5309 158 R 4.6683 8.2833 125.4488 53.9603 32.4406 176.0742 159 K 4.1310 8.5083 120.5377 56.8305 32.1985 176.6604 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 L 8.17 4.30 0.00 1.72 1.79 0.95 0.80 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 4 P 0.00 4.44 0.00 2.42 2.24 0.00 3.72 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 2.18 1.93 0.00 5 D 8.59 4.50 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 9.48 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 0.00 0.00 0.00 7 F 7.74 5.52 0.00 2.89 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 8 Y 8.69 5.06 0.00 3.02 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 9 I 8.39 5.07 1.87 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 1.41 1.15 1.00 0.00 0.00 10 R 8.60 4.76 0.00 2.03 2.24 0.00 3.10 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 11 R 8.54 4.49 0.00 1.89 1.93 0.00 3.29 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 12 M 8.89 4.56 0.00 2.27 2.11 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 2.81 2.78 0.00 13 E 9.60 4.92 0.00 2.08 1.85 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 2.27 2.46 0.00 14 E 8.86 4.27 0.00 2.29 2.22 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 2.40 2.44 0.00 15 G 8.05 3.95 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 0.00 0.00 0.00 16 D 8.34 4.64 0.00 3.08 2.80 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 17 L 7.32 2.99 0.00 0.91 1.38 0.08 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.90 3.81 0.00 2.01 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 2.35 2.36 0.00 19 Q 7.91 4.03 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 20 V 8.25 3.63 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 1.21 0.00 0.00 1.04 0.00 0.00 21 T 7.73 3.81 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 1.17 0.00 0.00 22 E 8.00 4.07 0.00 2.08 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 2.33 2.42 0.00 23 T 8.02 3.91 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 1.22 0.00 0.00 24 L 8.29 4.16 0.00 1.75 1.75 1.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.46 4.34 0.00 1.74 1.88 0.00 1.68 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.83 1.48 7.81 26 V 7.47 3.82 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 0.70 0.00 0.00 1.06 0.00 0.00 27 L 7.53 4.40 0.00 1.61 1.86 0.94 1.11 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 28 T 7.14 4.24 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 29 T 8.49 4.16 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 30 V 8.64 3.86 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 0.78 0.00 0.00 0.99 0.00 0.00 31 G 7.89 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 32 T 8.22 4.53 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 33 I 7.95 4.60 1.78 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 1.47 0.58 0.95 0.00 0.00 34 T 8.27 4.23 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 35 P 0.00 4.29 0.00 2.19 2.17 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 36 E 8.15 3.93 0.00 2.03 1.94 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 2.36 2.36 0.00 37 S 8.12 4.11 0.00 4.08 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 38 F 8.43 4.04 0.00 3.15 3.20 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 39 C 8.45 4.03 0.00 3.15 2.94 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 40 K 7.91 3.96 0.00 1.91 1.76 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.55 7.81 41 L 7.65 3.63 0.00 1.35 1.15 0.28 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.36 3.53 1.59 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.45 0.86 0.00 0.00 43 K 7.95 3.92 0.00 1.90 1.95 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.51 7.81 44 Y 7.97 4.29 0.00 2.96 2.97 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 45 W 8.33 4.06 0.00 3.29 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 46 N 7.98 4.76 0.00 2.78 2.88 0.00 0.00 6.79 6.94 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 47 E 7.51 4.46 0.00 2.08 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 2.25 2.30 0.00 48 A 8.12 4.27 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.54 5.00 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 1.29 0.00 0.00 50 V 8.19 4.29 1.91 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 0.72 0.00 0.00 0.83 0.00 0.00 51 W 8.86 4.38 0.00 3.30 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 52 N 7.48 3.51 0.00 2.42 2.24 0.00 0.00 6.10 8.06 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 *56 D 8.67 4.33 0.00 2.71 2.66 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 0.00 0.00 0.00 0.00 57 K 8.40 4.37 0.00 1.69 1.65 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.36 7.81 58 K 8.66 4.24 0.00 1.81 1.79 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.45 7.81 59 I 7.81 4.00 1.57 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.82 -0.12 0.00 0.00 60 M 8.15 4.50 0.00 2.02 2.26 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.73 0.00 61 Q 9.02 3.91 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 1.80 2.27 0.00 62 Y 7.81 4.54 0.00 2.32 1.87 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 63 N 8.49 5.13 0.00 2.70 2.68 0.00 0.00 6.62 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 64 P 0.00 4.79 0.00 2.30 1.93 0.00 3.60 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 65 M 9.32 5.34 0.00 1.88 1.95 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 2.48 2.82 0.00 66 V 8.73 4.91 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 0.89 0.00 0.00 0.97 0.00 0.00 67 I 8.48 4.71 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.64 0.82 0.00 0.00 68 V 8.31 4.58 0.93 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 0.99 0.00 0.00 0.59 0.00 0.00 69 D 8.88 4.16 0.00 2.58 2.58 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 70 K 8.77 4.12 0.00 1.69 1.87 0.00 1.93 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.69 1.67 7.81 71 R 8.23 4.03 0.00 1.86 1.99 0.00 3.09 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 72 T 7.51 4.47 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 73 E 7.82 3.86 0.00 2.18 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 2.46 0.00 74 T 7.21 4.80 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 75 V 9.02 3.96 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 0.71 0.00 0.00 0.94 0.00 0.00 76 A 9.12 4.29 0.39 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 0.00 0.00 77 A 7.43 4.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.85 5.01 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 79 G 8.61 4.58 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 80 N 8.83 5.60 0.00 2.68 2.52 0.00 0.00 6.50 7.62 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 81 I 8.14 4.86 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.12 0.87 0.00 0.00 82 I 8.64 4.40 1.66 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.38 0.44 0.00 0.00 83 I 8.20 4.66 1.63 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 1.00 0.53 0.75 0.00 0.00 84 E 9.02 4.62 0.00 2.00 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 2.23 2.21 0.00 85 R 8.64 4.86 0.00 1.93 1.92 0.00 3.60 0.00 0.00 3.50 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 86 K 9.17 4.68 0.00 1.81 1.78 0.00 1.95 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.48 7.81 87 I 8.31 3.97 1.90 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 1.49 0.66 0.93 0.00 0.00 88 I 7.56 3.95 1.86 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 1.36 0.82 0.93 0.00 0.00 89 H 8.92 3.80 0.00 2.70 2.90 0.00 5.88 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.75 3.65 0.00 2.08 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 2.19 2.34 0.00 91 L 7.66 4.51 0.00 1.89 1.92 1.20 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.22 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 0.00 0.00 0.00 93 L 8.65 5.40 0.00 1.65 1.57 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 94 C 9.10 4.75 0.00 2.84 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 95 G 8.42 4.15 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 0.00 0.00 0.00 96 H 8.98 5.23 0.00 2.99 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.48 4.52 1.76 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 1.19 0.43 0.86 0.00 0.00 98 E 8.96 4.58 0.00 1.81 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 2.34 2.39 0.00 99 D 8.33 4.52 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.48 4.69 1.99 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 1.34 0.95 0.98 0.00 0.00 101 A 8.89 4.63 1.25 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 0.00 0.00 102 V 8.15 4.66 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 0.87 0.00 0.00 0.82 0.00 0.00 103 N 8.93 4.40 0.00 3.10 2.89 0.00 0.00 6.24 7.11 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 0.00 104 S 9.15 4.04 0.00 3.84 3.87 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 0.00 105 K 8.01 4.05 0.00 1.64 1.80 0.00 1.30 0.00 0.00 1.59 0.00 0.00 3.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 0.72 7.81 106 Y 7.79 4.60 0.00 3.08 2.92 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 0.00 0.00 0.00 107 Q 7.86 4.07 0.00 2.25 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.07 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 108 G 8.64 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 0.00 109 Q 7.79 4.44 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.43 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 110 G 8.24 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 0.00 0.00 0.00 0.00 111 L 7.72 3.98 0.00 1.55 1.52 0.49 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.96 3.59 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 0.00 0.00 0.00 113 K 8.24 3.98 0.00 1.91 1.99 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.48 7.81 114 L 7.98 3.97 0.00 1.85 1.68 0.85 0.52 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 0.00 115 L 8.16 3.93 0.00 1.79 1.96 0.92 1.39 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 0.00 116 I 7.99 3.77 1.91 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.92 1.07 0.00 0.00 117 D 8.47 4.43 0.00 2.85 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 0.00 118 Q 8.20 4.01 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 119 L 8.12 3.97 0.00 1.84 1.69 0.96 0.66 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 0.00 120 V 8.16 3.39 2.25 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 1.16 0.00 0.00 1.04 0.00 0.00 121 T 8.03 3.89 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 0.00 122 I 7.79 3.50 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.29 0.62 0.00 0.00 123 G 7.92 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 8.08 4.65 0.00 3.04 2.97 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 0.00 125 D 8.30 4.45 0.00 2.63 2.62 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 0.00 126 Y 7.43 4.63 0.00 3.06 2.80 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 0.00 127 G 7.93 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 0.00 0.00 0.00 128 C 7.79 4.50 0.00 3.03 2.94 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 0.00 129 Y 8.57 4.47 0.00 2.95 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 0.00 130 K 6.81 4.76 0.00 1.70 1.76 0.00 1.37 0.00 0.00 1.82 0.00 0.00 2.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.38 1.10 7.81 131 I 8.08 5.00 1.53 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.12 0.83 0.00 0.00 132 I 8.64 4.94 1.83 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 1.18 0.76 0.84 0.00 0.00 133 L 8.18 4.75 0.00 1.38 1.45 -0.11 -0.49 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 0.00 134 D 8.42 4.99 0.00 2.62 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 C 7.98 4.78 0.00 3.18 2.82 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 0.00 136 D 8.46 4.60 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 0.00 137 E 8.96 3.94 0.00 2.09 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 2.40 2.48 0.00 138 K 8.12 4.04 0.00 1.95 1.95 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.55 7.81 139 N 8.40 4.72 0.00 3.09 3.12 0.00 0.00 6.48 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 0.00 140 V 7.82 3.74 2.23 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 1.17 0.00 0.00 1.04 0.00 0.00 141 K 8.10 4.18 0.00 1.88 1.88 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.53 7.81 142 F 8.17 4.12 0.00 2.94 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 0.00 143 Y 7.83 3.67 0.00 3.05 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 0.00 144 E 8.46 4.60 0.00 2.18 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 2.53 2.43 0.00 145 K 8.00 4.05 0.00 1.80 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.64 7.81 146 C 7.31 4.49 0.00 3.10 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 0.00 147 G 8.24 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 0.00 148 F 8.46 4.43 0.00 3.34 2.99 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 0.00 149 S 8.13 4.99 0.00 3.94 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 0.00 150 N 8.82 4.36 0.00 2.72 2.80 0.00 0.00 6.73 7.96 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 0.00 151 A 9.36 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 152 G 6.87 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 0.00 153 V 7.98 4.34 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 0.85 0.00 0.00 0.94 0.00 0.00 154 E 8.69 4.33 0.00 2.11 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 0.00 2.27 2.32 0.00 155 M 8.43 4.91 0.00 2.00 1.92 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 2.49 2.43 0.00 156 Q 8.21 4.64 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 157 I 8.05 4.61 1.88 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 1.42 0.95 0.92 0.00 0.00 158 R 8.28 4.67 0.00 1.82 1.82 0.00 3.44 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 159 K 8.51 4.13 0.00 1.72 1.70 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.