NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4902 8.3193 115.2897 58.7628 63.4499 172.4635 -1 N 4.6408 8.4107 112.7061 51.6376 40.6500 173.7941 0 A 3.6167 8.2574 121.1829 52.3618 18.1967 178.1954 0 V 3.4167 8.0474 116.5829 62.0618 31.9967 176.6954 3 A 5.0369 9.1048 129.7725 50.3033 22.0147 175.3705 4 K 4.8379 9.1081 119.9435 55.4982 33.2625 176.1632 5 Q 4.8673 9.3546 127.2922 54.4221 31.4419 174.3483 6 L 4.8104 8.8702 126.6999 54.4659 43.4919 175.8265 7 S 5.2622 9.4286 119.9496 56.9058 65.5266 173.0645 8 I 4.9157 8.7426 126.3927 59.2340 39.9534 174.7085 9 F 4.7370 9.1909 130.7196 58.0186 39.9779 174.7673 10 L 4.6113 8.5535 128.2266 52.9908 43.0344 176.5833 11 E 4.7053 8.3235 122.9609 54.9818 31.8485 178.1160 12 N 4.1181 9.2901 120.0355 54.2471 38.0101 174.9900 13 K 4.9579 8.3043 120.9374 56.3580 34.2232 174.6037 14 S 4.7032 8.5855 110.3542 57.2564 66.1831 175.0189 15 G 4.5753 7.1016 110.5214 45.9560 0.0000 176.4577 16 R 4.2218 8.2497 124.2917 58.4758 29.9116 177.8314 17 L 3.9455 7.8581 120.1160 58.2149 42.0752 178.9922 18 T 3.8384 7.8113 115.2102 66.7626 68.4577 176.0965 19 E 4.0317 7.8077 119.0670 59.6893 29.5144 179.8193 20 V 3.0989 7.8894 118.2385 66.0230 31.4871 178.2676 21 T 3.9104 7.9633 109.4703 64.4245 68.6121 176.6472 22 E 3.8780 8.5995 122.0702 59.2790 29.7031 178.9494 23 V 3.5804 7.9485 118.6645 66.4284 31.4978 178.1233 24 L 4.0274 7.8602 117.9688 57.6392 41.4613 179.2216 25 A 3.9857 8.1819 120.9446 55.2284 18.0849 179.6633 26 K 3.9888 7.9519 116.8002 59.0526 32.3246 177.8962 27 E 4.2748 7.5905 115.4025 55.0988 30.1489 175.3302 28 N 4.0866 7.8529 116.6639 54.5356 37.9149 174.0681 29 I 4.2607 7.6103 117.6058 59.6401 38.6031 175.4737 30 N 4.6815 8.6895 125.0375 53.0196 40.3523 173.6718 31 L 4.6863 8.3990 125.5580 54.4442 42.2122 176.6130 32 S 4.6052 9.2746 120.3172 60.5385 64.2930 174.9343 33 A 4.7389 7.7522 118.4446 50.9908 22.2489 175.4552 34 L 4.9510 8.4146 121.2744 55.0970 44.2493 174.6662 35 C 4.4710 8.4949 117.0852 58.5393 35.4169 172.2859 36 I 4.6284 8.3837 126.9160 59.8634 38.5373 174.9950 37 A 4.5567 9.0419 130.3632 50.6661 19.7372 175.5764 38 E 5.1331 8.6934 119.5810 55.4603 31.1081 174.9556 39 N 5.1225 8.9492 118.1039 50.6220 40.3110 174.7895 40 A 4.1728 8.6708 119.7737 54.7441 18.5471 178.0401 41 D 4.4359 9.2586 115.1933 55.0999 42.7541 176.1067 42 F 4.8963 8.0333 114.8568 55.7627 44.0665 173.9450 43 G 4.5063 8.6746 105.9795 44.5861 0.0000 171.9731 44 I 4.9785 8.4574 121.0492 59.0545 39.9650 174.9999 45 L 4.4519 8.8713 130.8020 54.7880 43.0522 175.6354 46 R 4.9499 8.8574 126.9503 55.0752 32.1102 176.1513 47 G 4.4581 9.0192 110.3154 44.9520 0.0000 171.3690 48 I 4.8318 9.6125 127.6134 60.1305 39.0550 175.4876 49 V 4.9691 8.1851 119.6266 59.1012 35.1300 176.7901 50 S 5.0143 8.8068 116.3043 60.6738 63.7693 174.5482 51 D 4.4382 7.7858 119.7129 50.5090 41.7193 173.0513 52 P 4.1701 0.0000 0.0000 65.3968 31.3828 178.2459 53 D 4.3270 7.8756 118.2038 56.9767 40.8809 178.3978 54 K 3.9280 8.2860 119.9239 59.3091 32.1741 178.6614 55 A 3.9437 8.0957 121.0654 55.3534 18.3511 178.7007 56 Y 4.0435 8.4517 118.4088 61.0583 38.7649 178.5735 57 K 3.9153 8.2907 120.0753 59.1314 32.2904 178.5853 58 A 3.9734 8.0512 121.2061 55.1312 18.2831 179.5337 59 L 4.0530 7.9936 117.3808 58.0662 41.7418 179.8284 60 K 3.7956 7.8625 118.2570 59.7099 31.7149 179.0490 61 D 4.3245 8.0246 118.0420 57.0256 40.7538 177.6094 62 N 4.7004 7.8897 114.2354 52.9662 38.6804 174.9263 63 H 4.0772 7.6240 116.0373 56.6585 26.5432 174.9552 64 F 4.5434 8.0886 117.3472 57.0570 40.0850 175.3592 65 A 4.5034 8.7660 124.0201 51.2915 19.7017 176.4935 66 V 5.0471 8.3783 121.6677 61.6187 35.0394 174.3146 67 N 5.3868 9.4210 123.1832 51.6639 43.0280 173.1080 68 I 5.0425 8.3883 121.2467 60.0996 39.5813 175.2512 69 T 4.8084 8.8279 122.1599 61.7380 72.4416 172.8646 70 D 5.1584 8.6914 124.3922 54.3167 42.0504 176.0284 71 V 4.7888 8.7448 115.3959 59.7428 37.1839 174.3552 72 V 4.6138 8.6624 120.4355 60.0205 34.6104 174.8171 73 G 4.4481 8.5774 110.7551 44.7742 0.0000 172.3776 74 I 5.2108 8.9233 116.6554 58.9140 41.6762 173.8958 75 S 5.3609 8.8505 117.5376 56.7637 65.1027 172.5951 76 C 4.9825 8.7881 120.0521 55.6450 33.6858 171.2937 77 P 4.5463 0.0000 0.0000 62.4627 31.4202 177.0707 78 N 4.7672 8.2058 123.6076 52.5079 35.9636 174.5196 79 V 4.5666 7.1950 114.0035 58.3869 36.4886 173.7981 80 P 4.2015 0.0000 0.0000 64.6040 31.6477 177.2206 81 G 3.8839 8.9856 109.9489 45.8598 0.0000 175.1652 82 A 3.8852 7.7708 121.7773 55.0895 18.4690 179.6525 83 L 3.8596 7.8725 118.1988 58.1374 42.2172 178.4406 84 A 3.9239 8.0838 120.3022 55.3944 18.1300 179.4641 85 K 3.5508 7.7364 117.2853 59.3467 32.2651 179.2048 86 V 3.5838 7.2068 117.7130 66.1631 31.4869 178.0744 87 L 4.2088 7.9839 118.6550 57.3953 41.3748 179.6877 88 G 3.6437 7.8064 105.6381 47.4308 0.0000 175.8299 89 F 4.5080 7.8775 120.0991 60.5538 38.9544 177.8227 90 L 4.0901 7.9506 118.6336 57.9177 41.4290 179.8027 91 S 4.3196 8.7663 114.4122 61.3946 62.7764 176.1536 92 A 4.1103 8.1966 123.5445 54.2184 18.0279 178.3875 93 E 4.5461 7.3609 114.1042 55.4483 29.9396 176.2912 94 G 3.4268 7.9638 106.6095 46.1353 0.0000 173.8668 95 V 3.7368 7.2616 119.6136 60.7713 32.3252 175.0687 96 F 5.2804 8.4355 126.1223 55.7820 42.4469 174.7653 97 I 4.3194 8.3262 121.6671 60.9004 37.2017 175.9195 98 E 4.3226 9.2325 128.5870 59.5165 30.1044 176.1078 99 Y 4.8470 6.9261 115.0895 56.3047 41.2540 172.7736 *101 Y 5.0202 8.3628 116.0643 57.7320 39.6470 174.1413 102 S 5.1641 8.2034 112.1085 58.9305 65.5540 174.7039 103 F 4.6999 8.5281 118.7927 55.2965 42.6850 174.2648 104 A 4.4616 8.6076 126.6828 52.2206 18.9308 177.1935 105 N 4.8864 9.1447 121.9375 52.0181 41.0708 177.1805 106 N 4.0941 9.0704 125.0563 54.4668 38.3023 176.0893 107 N 4.5746 9.2253 129.1172 55.1793 39.8652 174.0808 108 V 5.0340 7.8492 111.0002 59.3131 36.2109 174.0018 109 A 5.0959 8.7335 121.2532 50.7704 22.4218 174.9523 110 N 5.3506 8.9026 118.9029 51.6457 41.2914 174.3235 111 V 4.6124 8.9463 123.1115 61.1016 34.9362 174.0282 112 V 4.5324 8.3468 128.4216 61.4181 32.6816 174.8966 113 I 4.5000 8.7814 128.7562 59.4440 40.5575 174.6546 114 R 4.5988 8.5614 128.1116 53.8876 30.7388 173.4184 115 P 4.9938 0.0000 0.0000 61.8526 32.3125 176.4884 116 S 4.3038 9.2196 116.5100 61.1666 63.6858 173.2566 117 N 4.8654 7.6225 116.6029 51.9264 42.7192 173.7183 *119 D 4.5076 8.5752 116.9553 54.2792 42.8637 178.2561 120 K 3.9356 8.2241 119.5642 59.3345 32.0768 178.3982 121 C 4.0201 7.9645 119.0198 62.6848 31.5520 175.7575 122 I 3.7111 7.6460 120.8483 64.0121 36.6720 177.7496 123 E 3.8419 7.9894 119.9333 59.3327 29.5162 178.9873 124 V 3.5055 7.6764 117.9890 66.0479 31.5064 177.9720 125 L 3.9694 7.7846 118.4524 57.6803 41.4753 179.6823 126 K 3.8811 8.0019 118.3389 59.3729 31.7991 178.7369 127 E 3.8841 7.8732 118.1456 59.2840 29.5163 178.2928 128 K 3.9775 7.9898 115.3687 55.1382 32.0971 176.7468 129 K 3.8111 7.7755 117.0036 57.2422 30.1994 175.6309 130 V 3.8462 7.7887 118.4896 62.6746 32.4284 175.2640 131 D 4.4710 8.8048 127.2275 54.7895 41.3883 175.5539 132 L 4.6834 8.4236 123.6944 53.8417 43.3851 176.2295 133 L 4.6528 8.6239 121.6767 52.7989 43.3337 176.9270 134 A 3.9887 8.5443 125.8793 52.0141 19.3482 178.2096 135 A 3.6459 8.6234 122.7823 55.3006 18.0952 180.6198 136 S 3.9876 7.6815 110.9135 61.5658 63.1245 176.0386 137 D 4.4358 7.7705 122.0261 56.9913 40.1680 178.2195 138 L 3.9374 7.5432 120.3321 58.3913 42.1332 178.4181 139 Y 4.8932 8.0233 117.1156 58.9033 37.3991 177.2329 140 K 4.8913 7.4577 118.7271 56.2334 33.2663 176.2194 141 L 4.1646 7.6596 124.0617 55.8916 41.4163 176.9917 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 -2 S 8.32 4.49 0.00 3.85 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 -1 N 8.41 4.64 0.00 2.88 2.83 0.00 0.00 5.97 6.38 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 A 8.26 3.62 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 0 V 8.05 3.42 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 0.69 0.00 0.00 0.93 0.00 0.00 3 A 9.10 5.04 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 4 K 9.11 4.84 0.00 1.72 1.79 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.48 7.81 5 Q 9.35 4.87 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.98 0.00 0.00 0.00 0.00 0.00 2.43 2.65 0.00 6 L 8.87 4.81 0.00 1.68 1.62 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 7 S 9.43 5.26 0.00 3.76 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 8 I 8.74 4.92 1.82 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 1.09 0.80 0.88 0.00 0.00 9 F 9.19 4.74 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 10 L 8.55 4.61 0.00 1.55 1.55 0.89 0.77 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 11 E 8.32 4.71 0.00 2.07 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 2.23 2.29 0.00 12 N 9.29 4.12 0.00 2.96 1.98 0.00 0.00 6.78 6.00 0.00 0.00 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 K 8.30 4.96 0.00 1.67 1.71 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.17 0.96 7.81 14 S 8.59 4.70 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 15 G 7.10 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 16 R 8.25 4.22 0.00 1.89 2.18 0.00 3.28 0.00 0.00 3.46 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.65 0.00 17 L 7.86 3.95 0.00 1.72 1.64 0.86 0.83 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 18 T 7.81 3.84 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 1.21 0.00 0.00 19 E 7.81 4.03 0.00 2.35 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 2.40 2.63 0.00 20 V 7.89 3.10 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 0.78 0.00 0.00 0.12 0.00 0.00 21 T 7.96 3.91 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 22 E 8.60 3.88 0.00 2.19 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 0.00 2.33 2.49 0.00 23 V 7.95 3.58 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 1.04 0.00 0.00 1.16 0.00 0.00 24 L 7.86 4.03 0.00 1.70 1.66 0.85 0.78 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 A 8.18 3.99 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 26 K 7.95 3.99 0.00 1.78 2.09 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 27 E 7.59 4.27 0.00 2.18 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 2.52 2.44 0.00 28 N 7.85 4.09 0.00 2.84 2.84 0.00 0.00 7.06 7.73 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 29 I 7.61 4.26 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.85 0.87 0.00 0.00 30 N 8.69 4.68 0.00 2.87 2.67 0.00 0.00 6.74 5.99 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 31 L 8.40 4.69 0.00 1.55 1.58 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 S 9.27 4.61 0.00 3.93 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.75 4.74 1.45 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 0.00 0.00 0.00 34 L 8.41 4.95 0.00 1.62 1.59 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 35 C 8.49 4.47 0.00 2.27 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.38 4.63 1.83 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 1.21 0.66 0.92 0.00 0.00 37 A 9.04 4.56 1.13 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 0.00 0.00 38 E 8.69 5.13 0.00 1.95 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 0.00 2.17 2.20 0.00 39 N 8.95 5.12 0.00 2.93 3.02 0.00 0.00 7.08 7.25 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 40 A 8.67 4.17 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 41 D 9.26 4.44 0.00 2.12 1.71 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 42 F 8.03 4.90 0.00 2.95 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 43 G 8.67 4.51 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 0.00 0.00 0.00 44 I 8.46 4.98 1.89 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.70 0.96 0.00 0.00 45 L 8.87 4.45 0.00 1.71 1.51 0.85 0.96 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 46 R 8.86 4.95 0.00 1.69 1.70 0.00 2.77 0.00 0.00 2.88 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.44 0.00 47 G 9.02 4.46 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 48 I 9.61 4.83 2.04 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 1.53 1.03 1.13 0.00 0.00 49 V 8.19 4.97 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 0.96 0.00 0.00 0.83 0.00 0.00 50 S 8.81 5.01 0.00 3.88 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 51 D 7.79 4.44 0.00 2.58 2.47 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 0.00 0.00 0.00 0.00 52 P 0.00 4.17 0.00 2.17 2.09 0.00 3.22 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.31 0.00 53 D 7.88 4.33 0.00 2.69 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 54 K 8.29 3.93 0.00 2.02 1.78 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 55 A 8.10 3.94 1.38 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 0.00 0.00 0.00 56 Y 8.45 4.04 0.00 3.07 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 57 K 8.29 3.92 0.00 2.01 1.84 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 58 A 8.05 3.97 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 59 L 7.99 4.05 0.00 1.69 1.73 0.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.86 3.80 0.00 1.72 1.72 0.00 1.47 0.00 0.00 1.24 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.83 1.02 7.81 61 D 8.02 4.32 0.00 2.89 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 62 N 7.89 4.70 0.00 3.01 2.97 0.00 0.00 7.14 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 63 H 7.62 4.08 0.00 3.17 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.09 4.54 0.00 3.04 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 65 A 8.77 4.50 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.38 5.05 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 1.03 0.00 0.00 0.86 0.00 0.00 67 N 9.42 5.39 0.00 2.69 2.70 0.00 0.00 6.78 8.44 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 68 I 8.39 5.04 1.77 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 0.90 0.00 0.00 69 T 8.83 4.81 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 70 D 8.69 5.16 0.00 2.57 2.60 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 71 V 8.74 4.79 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 0.83 0.00 0.00 1.03 0.00 0.00 72 V 8.66 4.61 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 0.83 0.00 0.00 0.88 0.00 0.00 73 G 8.58 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 0.00 0.00 0.00 0.00 74 I 8.92 5.21 1.96 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 1.09 1.12 0.89 0.00 0.00 75 S 8.85 5.36 0.00 3.85 3.73 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 76 C 8.79 4.98 0.00 3.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.55 0.00 1.96 2.03 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 78 N 8.21 4.77 0.00 2.82 2.76 0.00 0.00 6.92 7.65 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 79 V 7.19 4.57 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 0.86 0.00 0.00 0.93 0.00 0.00 80 P 0.00 4.20 0.00 2.02 1.99 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 81 G 8.99 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 82 A 7.77 3.89 1.39 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 83 L 7.87 3.86 0.00 1.75 1.65 0.91 1.10 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 84 A 8.08 3.92 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 85 K 7.74 3.55 0.00 1.74 1.80 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.81 0.92 7.81 86 V 7.21 3.58 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 1.03 0.00 0.00 1.01 0.00 0.00 87 L 7.98 4.21 0.00 1.86 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 88 G 7.81 3.64 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 0.00 0.00 0.00 89 F 7.88 4.51 0.00 3.25 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 90 L 7.95 4.09 0.00 1.90 1.89 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.77 4.32 0.00 4.36 4.41 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 92 A 8.20 4.11 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 93 E 7.36 4.55 0.00 2.13 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 94 G 7.96 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.26 3.74 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 0.72 0.00 0.00 0.80 0.00 0.00 96 F 8.44 5.28 0.00 3.00 2.84 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 97 I 8.33 4.32 1.92 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 0.81 0.97 0.00 0.00 98 E 9.23 4.32 0.00 1.90 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 0.00 2.37 2.45 0.00 99 Y 6.93 4.85 0.00 3.11 3.14 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 *101 Y 8.36 5.02 0.00 3.18 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 0.00 102 S 8.20 5.16 0.00 3.96 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 0.00 103 F 8.53 4.70 0.00 3.10 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 0.00 104 A 8.61 4.46 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 0.00 105 N 9.14 4.89 0.00 2.69 2.72 0.00 0.00 7.05 6.61 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 0.00 106 N 9.07 4.09 0.00 2.87 2.32 0.00 0.00 7.19 8.00 0.00 0.00 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 N 9.23 4.57 0.00 2.79 2.86 0.00 0.00 6.59 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.85 5.03 2.18 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 0.70 0.00 0.00 1.00 0.00 0.00 109 A 8.73 5.10 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 0.00 110 N 8.90 5.35 0.00 2.80 2.75 0.00 0.00 6.24 7.78 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 0.00 111 V 8.95 4.61 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 0.91 0.00 0.00 0.93 0.00 0.00 112 V 8.35 4.53 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.72 0.00 0.00 113 I 8.78 4.50 1.78 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 1.03 0.80 0.85 0.00 0.00 114 R 8.56 4.60 0.00 1.08 0.66 0.00 2.99 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.26 0.00 115 P 0.00 4.99 0.00 2.06 1.97 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 116 S 9.22 4.30 0.00 3.87 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 0.00 117 N 7.62 4.87 0.00 2.62 2.59 0.00 0.00 7.19 8.49 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 *119 D 8.58 4.51 0.00 2.74 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 0.00 120 K 8.22 3.94 0.00 1.94 1.72 0.00 1.48 0.00 0.00 1.53 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.43 7.81 121 C 7.96 4.02 0.00 3.10 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 0.00 122 I 7.65 3.71 1.84 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 1.49 0.62 0.88 0.00 0.00 123 E 7.99 3.84 0.00 2.20 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 2.26 2.29 0.00 124 V 7.68 3.51 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 0.86 0.00 0.00 0.95 0.00 0.00 125 L 7.78 3.97 0.00 1.73 1.69 0.91 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 126 K 8.00 3.88 0.00 1.92 1.81 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.59 7.81 127 E 7.87 3.88 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 128 K 7.99 3.98 0.00 1.18 0.74 0.00 1.03 0.00 0.00 1.29 0.00 0.00 2.83 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.14 0.40 7.81 129 K 7.78 3.81 0.00 1.86 1.86 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.45 7.81 130 V 7.79 3.85 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 0.77 0.00 0.00 1.10 0.00 0.00 131 D 8.80 4.47 0.00 2.87 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 0.00 132 L 8.42 4.68 0.00 1.50 1.55 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.62 4.65 0.00 1.48 1.52 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.54 3.99 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 0.00 135 A 8.62 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 S 7.68 3.99 0.00 4.04 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 0.00 137 D 7.77 4.44 0.00 2.81 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 0.00 138 L 7.54 3.94 0.00 1.62 1.58 0.90 0.72 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 0.00 139 Y 8.02 4.89 0.00 3.16 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 0.00 140 K 7.46 4.89 0.00 1.79 1.89 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.38 7.81 141 L 7.66 4.16 0.00 1.73 1.65 0.95 0.81 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 * Residues marked with a * may have inaccurate shift predictions.