NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7154 8.4249 118.1173 53.0969 39.9036 173.3744 3 F 4.3196 9.0415 122.2213 54.9840 39.7686 169.9538 4 V 4.2996 8.4620 126.3227 60.7092 33.8003 174.2502 5 L 4.4304 8.4157 129.4301 54.3437 42.9849 175.5010 6 S 4.7301 8.3170 118.6123 56.9604 65.4753 172.7440 7 D 5.0048 8.6734 123.4451 52.9027 39.7394 175.6887 8 V 4.4264 7.2449 110.5442 59.5507 34.3579 175.7152 9 A 4.0250 8.3792 126.1384 52.6057 18.9325 177.9147 10 D 4.4005 8.5755 119.9338 51.9821 43.4871 176.0376 11 A 3.9793 8.5561 129.9309 55.4200 18.6465 178.8333 12 E 3.9112 8.1496 116.3634 59.3167 29.3024 179.3674 13 A 3.9829 7.8880 120.4791 55.2132 18.5229 179.3942 14 E 4.0075 8.3861 117.2809 59.3126 29.4416 179.5001 15 K 3.9084 8.4809 119.9427 59.4329 32.1029 178.6279 16 A 4.1407 7.8791 119.2842 54.1291 18.4796 178.7543 17 I 4.0901 7.1741 116.9038 63.2514 37.9469 178.0807 18 R 3.9860 8.1293 119.6775 59.4476 29.8683 178.1225 19 D 4.3926 8.4544 119.3115 57.0696 40.8604 177.2926 20 P 4.2730 0.0000 0.0000 65.5663 31.2240 178.1747 21 L 3.9933 7.6319 119.1215 57.9441 41.9352 178.9478 22 V 3.6264 8.2377 118.4275 66.0447 31.4770 177.8837 23 A 3.9984 8.3878 120.7886 55.2297 18.2030 178.8958 24 Y 3.9367 8.4674 118.4434 61.0629 38.9068 178.2496 25 N 4.6028 8.6793 117.5294 56.0875 38.6411 177.1481 26 L 4.2023 8.5349 123.1652 57.7108 42.0051 179.0185 27 A 3.8979 7.7025 119.2831 54.7270 18.3096 178.9656 28 R 3.7277 7.3036 115.9674 57.7880 30.4419 177.5799 29 F 4.9194 8.2012 114.1349 56.4944 40.5392 176.3373 30 G 3.8938 8.2137 108.6421 44.1912 0.0000 172.6835 31 E 4.1337 8.5430 118.0235 56.7174 29.9250 177.8345 32 S 4.3482 8.8257 117.1430 58.9882 63.8680 174.1761 33 D 4.6000 8.2409 118.8377 54.5415 38.2874 173.4410 34 K 4.3519 7.7365 119.3961 57.0391 32.9275 176.1214 35 R 4.6548 9.0083 127.4587 54.7517 33.4747 174.0671 36 D 4.9431 8.9140 126.2146 54.9190 42.1889 176.4289 37 L 4.5129 9.0187 123.2719 54.1695 44.6087 174.3146 38 N 5.6363 8.7554 123.1744 51.3556 42.8979 173.7725 39 I 4.7069 8.8232 122.2723 59.8714 40.7663 174.3745 40 T 4.9481 8.6233 117.5025 60.1520 71.0265 174.0739 41 I 4.3553 8.5462 125.9287 60.2275 38.7188 174.8403 42 R 5.8221 8.6964 125.9044 53.3954 33.2980 176.0905 43 N 4.7300 8.5268 120.6165 52.0462 39.3172 175.0276 44 D 4.4174 8.7158 117.0767 57.1793 40.8080 176.9584 45 D 4.7234 8.0170 117.5609 52.9948 39.6987 176.9265 46 N 4.3872 8.2297 115.4875 54.6768 38.3861 174.1910 47 S 4.2758 7.3962 113.5512 58.3528 63.4806 173.6799 48 V 4.2268 8.3519 125.2275 63.0170 31.5534 175.6103 49 T 4.4722 8.8905 117.4737 60.9947 70.3156 174.4254 50 G 4.0997 7.7166 108.4614 46.3458 0.0000 170.5396 51 G 3.9778 6.7117 106.4618 44.4146 0.0000 171.6265 52 L 5.2096 8.6871 122.9520 53.2219 45.8194 176.8867 53 V 4.7238 8.1947 125.7560 60.5690 34.2954 174.5930 54 G 3.9023 8.6566 114.5359 47.4712 0.0000 171.1642 55 H 5.4260 8.5719 113.9211 55.2158 32.4764 172.8342 56 T 5.3383 8.6833 109.7904 60.2873 71.4332 173.1697 57 A 5.0274 9.3346 124.6782 51.6319 23.3135 176.4817 58 R 3.5587 10.1223 120.4208 57.3032 28.1473 177.7530 59 G 4.0573 8.7993 104.1699 44.9605 0.0000 173.3411 60 W 5.1018 8.2626 119.3736 54.5091 33.3145 174.2334 61 L 4.8386 9.1367 126.8316 54.8572 43.1673 174.5345 62 Y 4.6462 8.9853 128.1113 55.6947 41.0294 174.2785 63 V 3.8976 7.4896 127.5096 61.9610 31.6576 175.1003 64 Q 3.7465 8.5512 130.5154 57.8156 29.8512 175.9164 65 L 4.8901 7.4720 117.0600 52.8920 46.4080 175.4917 66 L 5.1035 8.3925 123.5524 53.7749 45.1426 174.7453 67 F 4.8213 9.5618 128.7112 56.3889 42.7025 173.1973 68 V 4.3491 7.4818 125.6784 60.0698 32.8948 173.6668 69 P 4.2672 0.0000 0.0000 62.4173 31.9869 175.6966 70 E 3.9394 9.0652 122.5745 59.5966 29.4096 179.9967 71 A 4.1551 7.6820 120.3454 51.8479 17.5631 177.1250 *73 R 3.9663 7.8889 117.3710 58.5393 31.2330 175.3435 74 G 3.9288 8.7254 105.4312 47.0742 0.0000 174.4526 75 Q 4.4063 7.6017 114.3309 55.1303 30.9874 176.1594 76 G 3.9527 8.3769 104.5209 46.9871 0.0000 176.5878 77 I 3.7203 7.3204 121.0783 63.7999 37.0313 178.0864 78 A 3.9331 7.8500 121.0888 54.8806 18.2817 177.7354 79 P 4.1265 0.0000 0.0000 65.4816 31.1341 178.7640 80 K 3.9723 7.7847 117.8795 59.4249 32.1996 178.5572 81 L 4.1110 7.8399 118.2433 57.8424 41.7658 179.1796 82 L 4.0126 7.9623 118.7186 57.4190 41.3335 179.8999 83 A 4.9385 8.4417 119.9935 52.0507 18.1113 179.1100 *85 A 4.1747 7.9551 125.2850 53.8180 20.8587 179.7539 86 E 3.8557 8.5256 116.3960 59.2878 29.6216 178.3736 87 E 3.7667 8.2022 119.4337 59.4898 29.6592 178.5837 88 E 3.9145 8.1039 118.3731 59.1130 29.7436 178.3923 89 A 4.0802 8.3595 121.2651 55.2452 18.4750 179.7934 90 R 3.8357 8.3346 116.9263 59.3405 29.8660 179.3381 91 K 3.9499 7.7830 117.2215 59.5268 32.1858 178.9095 92 R 4.2578 7.8155 115.3341 56.6012 30.0353 177.3779 93 G 3.9537 7.9287 107.1917 45.8938 0.0000 175.4475 94 C 4.6760 7.3560 118.4602 58.6460 30.0676 172.3385 *96 G 2.0000 8.5637 107.2301 46.2223 0.0000 171.3721 97 A 5.8055 8.6226 120.2774 50.3673 22.9358 174.8107 98 Y 5.8084 9.7569 117.2007 56.0873 42.3240 173.7252 99 I 4.6511 8.7478 118.5551 60.2470 41.8081 172.6344 100 D 5.0973 8.1640 124.5807 52.8525 42.7994 174.5009 101 T 4.1248 7.8714 111.7370 61.8969 71.8579 170.8508 *103 N 4.5896 8.5769 118.5557 52.9447 39.6511 174.2179 104 P 4.1892 0.0000 0.0000 65.6467 31.3504 178.3781 105 D 4.2794 8.5102 117.8605 56.9697 40.6680 178.5802 106 A 3.4701 7.8328 120.8989 54.6511 18.3040 179.0804 107 L 3.6926 7.8188 119.1641 58.2907 42.0690 179.1875 108 R 3.8522 7.7556 118.4059 59.7469 29.9995 178.4548 109 T 3.8707 7.6276 115.4136 67.0383 68.4667 176.2177 110 Y 4.5707 7.8621 118.6905 61.2156 37.7256 178.3878 111 E 4.5397 8.5838 121.1260 59.0485 29.3707 179.5470 112 R 3.9922 8.1308 117.1951 59.5578 30.4881 178.0500 113 Y 4.3163 8.4900 119.4178 60.4841 38.5400 176.3468 114 G 3.5538 7.4856 106.4902 44.8437 0.0000 173.8908 115 F 4.8585 8.9047 120.8261 57.6500 40.5387 174.4765 116 T 4.8686 9.3209 111.6071 59.5856 71.7971 173.5002 117 K 4.8149 9.0603 124.7929 56.9319 32.2892 176.6391 118 I 4.4326 9.3698 116.9544 60.2105 39.7211 175.2864 119 G 4.2675 7.8904 110.0335 46.8703 0.0000 171.3603 120 S 5.6819 8.5349 113.3872 57.6370 65.8660 173.4917 121 L 4.8354 9.4464 120.0420 53.9358 44.2337 175.9245 122 G 4.3511 8.2716 107.9298 43.9465 0.0000 170.2503 123 P 4.6765 0.0000 0.0000 61.8186 32.3232 176.0971 124 L 4.2993 8.8100 120.5565 54.2453 42.2077 178.5694 125 S 4.1790 8.6310 114.8851 61.2141 62.7080 175.4253 126 S 4.3946 7.9459 112.8567 58.0833 63.3632 174.6997 127 G 3.9509 8.3858 110.4917 45.2984 0.0000 173.8057 128 Q 4.5290 7.7943 118.9029 55.3155 30.7762 174.5042 129 S 5.1308 8.3822 113.8779 56.7887 66.3287 173.3683 130 I 4.3509 8.2987 121.6472 60.3716 38.9160 175.0261 131 T 5.0755 8.4799 122.8947 61.5421 72.0679 172.9025 132 W 5.3097 9.4402 125.5987 55.1594 31.9472 175.1456 133 L 5.6614 9.4093 122.9014 53.1074 46.0140 175.1988 134 E 5.6817 9.7002 118.9921 54.7721 33.7759 174.9467 135 K 4.6823 9.3773 121.6231 55.0448 35.1749 175.1064 136 R 4.1207 8.5570 126.9773 55.0261 31.4279 176.9348 137 F 4.6349 7.8662 120.7098 57.9440 39.0634 175.5067 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 N 8.42 4.72 0.00 2.70 2.85 0.00 0.00 6.85 6.56 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 3 F 9.04 4.32 0.00 3.04 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 4 V 8.46 4.30 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 0.81 0.00 0.00 0.94 0.00 0.00 5 L 8.42 4.43 0.00 1.66 1.56 0.94 0.90 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 6 S 8.32 4.73 0.00 3.81 3.65 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 7 D 8.67 5.00 0.00 2.78 2.68 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 0.00 0.00 0.00 8 V 7.24 4.43 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 0.72 0.00 0.00 0.93 0.00 0.00 9 A 8.38 4.03 1.24 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 0.00 0.00 0.00 10 D 8.58 4.40 0.00 2.81 2.51 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 11 A 8.56 3.98 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 12 E 8.15 3.91 0.00 2.07 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 2.40 2.43 0.00 13 A 7.89 3.98 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 14 E 8.39 4.01 0.00 2.25 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 2.33 2.42 0.00 15 K 8.48 3.91 0.00 1.92 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.46 7.81 16 A 7.88 4.14 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 17 I 7.17 4.09 1.98 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 1.38 1.28 0.90 0.00 0.00 18 R 8.13 3.99 0.00 1.98 1.93 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 19 D 8.45 4.39 0.00 2.78 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 20 P 0.00 4.27 0.00 2.27 2.32 0.00 3.64 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 2.22 2.10 0.00 21 L 7.63 3.99 0.00 1.84 1.90 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.24 3.63 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 1.08 0.00 0.00 0.99 0.00 0.00 23 A 8.39 4.00 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 24 Y 8.47 3.94 0.00 3.15 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 25 N 8.68 4.60 0.00 3.07 3.10 0.00 0.00 6.70 6.50 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 26 L 8.53 4.20 0.00 1.77 1.86 0.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.70 3.90 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 28 R 7.30 3.73 0.00 0.89 0.91 0.00 2.73 0.00 0.00 2.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.94 0.00 29 F 8.20 4.92 0.00 3.09 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 30 G 8.21 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.54 4.13 0.00 2.00 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 2.34 2.33 0.00 32 S 8.83 4.35 0.00 4.06 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 0.00 33 D 8.24 4.60 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 34 K 7.74 4.35 0.00 1.82 1.76 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.46 1.41 7.81 35 R 9.01 4.65 0.00 1.94 1.76 0.00 3.18 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 36 D 8.91 4.94 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 37 L 9.02 4.51 0.00 1.71 1.52 0.95 0.51 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 38 N 8.76 5.64 0.00 2.65 2.65 0.00 0.00 6.80 7.32 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 39 I 8.82 4.71 1.86 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 1.28 0.77 0.91 0.00 0.00 40 T 8.62 4.95 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 1.22 0.00 0.00 41 I 8.55 4.36 1.90 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 1.23 0.57 0.92 0.00 0.00 42 R 8.70 5.82 0.00 1.65 1.80 0.00 3.26 0.00 0.00 4.01 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.00 43 N 8.53 4.73 0.00 2.91 3.00 0.00 0.00 6.27 8.07 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 44 D 8.72 4.42 0.00 2.69 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 45 D 8.02 4.72 0.00 2.89 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 8.23 4.39 0.00 2.88 2.98 0.00 0.00 7.08 7.55 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 47 S 7.40 4.28 0.00 4.30 3.77 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 48 V 8.35 4.23 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 0.94 0.00 0.00 49 T 8.89 4.47 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 1.24 0.00 0.00 50 G 7.72 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 0.00 0.00 0.00 0.00 51 G 6.71 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 0.00 0.00 0.00 52 L 8.69 5.21 0.00 1.61 1.43 0.87 0.75 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 53 V 8.19 4.72 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 1.37 0.00 0.00 0.92 0.00 0.00 54 G 8.66 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 55 H 8.57 5.43 0.00 3.37 3.42 0.00 5.23 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.68 5.34 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 1.30 0.00 0.00 57 A 9.33 5.03 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 58 R 10.12 3.56 0.00 2.00 2.07 0.00 3.16 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 59 G 8.80 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 W 8.26 5.10 0.00 3.39 3.36 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 61 L 9.14 4.84 0.00 1.93 1.74 1.01 1.00 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 62 Y 8.99 4.65 0.00 2.54 2.43 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 63 V 7.49 3.90 1.66 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 0.49 0.00 0.00 0.80 0.00 0.00 64 Q 8.55 3.75 0.00 1.93 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.41 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 65 L 7.47 4.89 0.00 1.55 1.47 0.91 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.39 5.10 0.00 1.55 1.52 0.89 0.61 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 67 F 9.56 4.82 0.00 3.10 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 68 V 7.48 4.35 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.82 0.00 0.00 69 P 0.00 4.27 0.00 2.06 2.04 0.00 3.66 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 2.04 2.34 0.00 70 E 9.07 3.94 0.00 1.94 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 2.28 2.32 0.00 71 A 7.68 4.16 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 *73 R 7.89 3.97 0.00 1.77 1.85 0.00 3.23 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.68 0.00 74 G 8.73 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 75 Q 7.60 4.41 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.15 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 76 G 8.38 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 77 I 7.32 3.72 1.82 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 1.42 0.79 0.87 0.00 0.00 78 A 7.85 3.93 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 79 P 0.00 4.13 0.00 2.26 2.33 0.00 3.72 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 2.17 2.23 0.00 80 K 7.78 3.97 0.00 1.88 2.02 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.49 7.81 81 L 7.84 4.11 0.00 1.76 1.67 0.90 0.92 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 82 L 7.96 4.01 0.00 1.05 0.78 0.65 0.51 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 83 A 8.44 4.94 1.48 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 *85 A 7.96 4.17 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 86 E 8.53 3.86 0.00 2.11 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 1.88 1.47 0.00 87 E 8.20 3.77 0.00 2.10 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 2.27 2.28 0.00 88 E 8.10 3.91 0.00 2.11 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 2.38 2.45 0.00 89 A 8.36 4.08 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.33 3.84 0.00 1.77 1.85 0.00 2.77 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.81 0.00 91 K 7.78 3.95 0.00 1.96 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.65 7.81 92 R 7.82 4.26 0.00 1.98 2.01 0.00 3.24 0.00 0.00 3.27 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 93 G 7.93 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 94 C 7.36 4.68 0.00 3.20 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 *96 G 8.56 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.62 5.81 1.46 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 98 Y 9.76 5.81 0.00 3.41 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 99 I 8.75 4.65 1.18 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.98 -0.20 0.00 0.00 100 D 8.16 5.10 0.00 1.92 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 0.00 0.00 0.00 101 T 7.87 4.12 4.40 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 1.23 0.00 0.00 *103 N 8.58 4.59 0.00 2.73 2.63 0.00 0.00 6.94 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.19 0.00 2.15 2.05 0.00 3.59 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 105 D 8.51 4.28 0.00 2.73 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 0.00 106 A 7.83 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.82 3.69 0.00 1.65 1.77 0.97 0.96 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 0.00 108 R 7.76 3.85 0.00 2.02 1.99 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 109 T 7.63 3.87 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 1.25 0.00 0.00 110 Y 7.86 4.57 0.00 3.05 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 0.00 111 E 8.58 4.54 0.00 2.09 2.10 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 2.47 2.48 0.00 112 R 8.13 3.99 0.00 2.10 2.08 0.00 3.21 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 113 Y 8.49 4.32 0.00 3.36 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.49 3.55 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 0.00 115 F 8.90 4.86 0.00 3.30 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 0.00 116 T 9.32 4.87 4.34 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 1.30 0.00 0.00 117 K 9.06 4.81 0.00 1.76 1.90 0.00 1.77 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.63 7.81 118 I 9.37 4.43 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.77 1.03 0.00 0.00 119 G 7.89 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 0.00 120 S 8.53 5.68 0.00 4.02 3.92 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 0.00 121 L 9.45 4.84 0.00 1.84 1.93 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.27 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 0.00 0.00 0.00 0.00 123 P 0.00 4.68 0.00 2.20 2.06 0.00 3.79 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 1.99 1.99 0.00 124 L 8.81 4.30 0.00 1.68 1.64 0.90 0.86 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 0.00 125 S 8.63 4.18 0.00 3.98 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 7.95 4.39 0.00 4.02 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 0.00 127 G 8.39 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 0.00 128 Q 7.79 4.53 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 129 S 8.38 5.13 0.00 3.99 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 0.00 130 I 8.30 4.35 1.54 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 1.06 0.56 -0.21 0.00 0.00 131 T 8.48 5.08 4.21 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 1.36 0.00 0.00 132 W 9.44 5.31 0.00 3.34 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 0.00 133 L 9.41 5.66 0.00 1.67 1.82 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 134 E 9.70 5.68 0.00 2.33 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 2.49 2.39 0.00 135 K 9.38 4.68 0.00 0.79 1.13 0.00 1.14 0.00 0.00 1.48 0.00 0.00 2.61 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.31 1.34 7.81 136 R 8.56 4.12 0.00 1.70 1.72 0.00 3.37 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 137 F 7.87 4.63 0.00 2.87 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 * Residues marked with a * may have inaccurate shift predictions.