NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 K 4.2084 8.3031 119.9969 55.2923 34.6122 175.6472 19 G 3.7354 8.3377 106.3654 45.4738 0.0000 170.6472 20 H 4.8833 8.7587 121.3124 53.8714 32.8307 171.6137 21 W 5.6465 8.6514 124.3779 55.1036 33.4238 174.7557 22 I 4.5108 9.3802 124.9256 58.9466 39.1934 173.0906 23 P 4.9817 0.0000 0.0000 62.3014 32.5808 175.8962 24 V 4.8721 8.9984 123.8127 61.1504 35.2890 174.4393 25 V 4.9092 8.8038 119.4170 59.5957 34.7777 174.6269 26 A 5.0786 8.9707 125.0659 50.1574 22.7819 174.9891 27 G 4.2318 8.8338 108.2825 44.5438 0.0000 173.7411 28 F 5.0534 8.9778 124.5234 56.2447 39.6881 174.2959 29 L 4.9810 8.4831 124.3767 54.1963 42.7614 175.9881 30 R 5.4979 9.0315 123.6035 54.3674 32.9466 175.8607 31 K 4.2730 9.4013 123.9913 56.5776 35.3813 175.2229 32 D 4.4081 9.8073 126.2033 55.3831 38.3094 174.7368 33 G 3.9693 8.6680 105.5443 45.1533 0.0000 173.6463 34 K 4.9788 7.9989 118.7434 54.6574 35.8543 174.9992 35 I 5.9555 9.1361 121.0865 58.6180 41.4209 174.4933 36 L 4.2176 8.4134 126.7378 54.0217 42.9417 176.0967 37 V 4.6613 8.4605 118.7272 59.4530 35.9188 174.6851 38 G 4.0945 8.9907 110.6208 44.2991 0.0000 171.7172 39 Q 3.8461 8.6011 125.5891 54.2367 30.0624 175.2987 40 R 3.9349 8.1574 126.3825 54.9807 30.8749 175.7053 41 P 3.9735 0.0000 0.0000 62.1288 31.5863 177.1479 *48 G 3.4675 7.9725 106.0215 45.3316 0.0000 173.1428 49 Q 4.4328 8.1747 124.2228 55.3174 30.3566 174.9921 50 W 5.0981 9.6221 123.5328 55.3426 30.8549 175.4130 51 E 4.5745 9.0118 122.7361 54.0793 32.7678 175.1783 52 F 4.8489 8.3725 119.1870 56.5578 40.0185 173.9968 53 P 4.4495 0.0000 0.0000 62.1682 32.3217 177.0688 54 G 4.0704 8.0508 108.9117 48.4754 0.0000 170.3628 55 G 3.9524 6.8155 106.2590 45.5381 0.0000 172.0196 56 K 4.6617 8.3428 118.3469 56.2532 33.0724 177.0858 57 I 4.1084 8.1066 124.5877 61.0167 38.0705 175.5631 58 E 4.4549 9.4896 127.2549 54.7958 31.3180 175.6774 59 N 4.3656 8.7264 121.6014 55.4385 39.3154 174.2857 60 G 4.1049 9.0842 113.3950 45.1181 0.0000 173.2081 61 E 4.7853 7.5027 116.4008 54.4807 31.9180 176.4321 62 T 4.2268 8.7157 111.3058 60.7988 71.1516 173.9923 63 P 4.1689 0.0000 0.0000 65.8980 31.3396 178.9111 64 E 3.5440 7.8771 116.9233 59.0909 29.4265 178.9795 65 E 3.8957 8.3686 118.6927 59.2435 29.4599 179.1484 66 A 4.0406 8.1256 121.0228 55.1343 18.3710 179.5273 67 L 3.7861 7.8292 118.5523 58.1244 42.1606 178.9077 68 A 3.9617 7.9045 120.7947 55.0407 18.2922 179.5747 69 R 3.7548 8.0461 117.0569 59.7564 29.7930 178.6067 70 E 3.9862 8.2846 118.4301 59.4769 29.4306 179.4640 71 L 4.0335 8.3086 119.4137 57.4995 41.5029 179.1965 72 N 4.5877 8.0564 118.4863 56.1402 38.7516 176.7395 73 E 3.9247 8.3095 118.8971 59.7559 29.6308 179.0514 74 E 4.1646 8.8271 118.5992 58.2400 29.6929 178.3099 75 L 4.9926 7.3886 118.0941 52.1611 43.3152 177.8137 76 G 3.7584 8.1867 106.7814 46.0280 0.0000 173.1833 77 I 4.6371 7.4399 112.1845 58.9447 41.0780 174.2562 78 E 4.8010 9.2789 125.2730 54.8286 30.1019 173.9482 79 A 4.9592 8.4014 128.1245 50.6843 20.5299 175.8601 80 E 4.3073 9.0958 124.0860 55.2827 30.4150 176.1529 81 V 3.7776 8.5325 128.2219 62.7913 31.8634 175.5110 82 G 4.2947 8.6997 120.9177 45.8883 0.0000 172.6465 83 E 4.3004 8.9350 123.4516 56.0432 31.0970 176.9466 84 L 3.5644 8.6057 129.0867 55.3045 41.9854 176.1466 85 K 4.4502 8.6884 126.2164 57.8128 34.0112 176.6100 86 L 4.5665 7.3478 118.3932 54.0030 45.4906 173.6905 87 A 5.2937 8.5310 125.4083 50.6093 22.0808 175.1113 88 C 5.0731 9.3193 119.1235 58.1476 32.9195 173.1886 89 T 5.3030 8.5844 111.2066 60.5941 70.9006 172.8669 90 H 4.9275 9.2719 122.3084 54.9051 34.0169 171.8302 91 S 4.8908 7.9878 118.0753 56.1504 65.5865 174.1356 92 Y 4.8321 8.3733 120.7324 57.3490 37.8723 176.0149 93 G 3.9265 7.6427 109.7149 46.6279 0.0000 173.7277 94 D 4.3868 8.1132 123.6825 55.0015 42.6708 176.5484 95 V 4.2828 7.3867 118.0211 61.0039 34.9710 174.4276 96 G 3.3654 8.5867 115.2469 44.8502 0.0000 172.3750 97 I 5.1646 8.5873 124.7731 59.1517 40.3178 174.2716 98 L 5.1335 8.9173 128.7816 53.4988 44.6181 174.8173 99 I 4.6840 8.8992 128.2529 59.6987 39.4030 174.6489 100 L 4.8837 8.5384 127.2531 52.9897 44.1365 175.3206 101 F 4.8469 8.9828 123.5746 56.0478 40.8445 174.3597 102 Y 5.0355 8.7236 122.3008 55.8786 40.7661 175.0358 103 E 4.7754 9.2321 125.1181 56.3211 31.4866 175.4702 104 I 4.9927 9.3310 127.1685 60.0545 39.5731 175.9263 105 L 4.7081 9.2127 126.7270 54.9454 43.7319 176.4015 106 Y 4.6343 8.0297 115.9092 55.7314 41.4956 174.6169 107 W 5.6431 8.1031 119.0169 55.5255 31.3332 173.6572 108 K 4.5361 9.4130 121.4635 56.3176 33.7996 177.1640 109 G 4.2899 9.3119 109.5441 45.2881 0.0000 171.9621 110 E 4.9528 8.2028 117.4306 53.4697 31.6791 174.7973 111 P 4.5395 0.0000 0.0000 62.8031 31.8027 176.0887 112 R 4.6547 8.5782 121.0648 54.2782 33.9378 175.6588 113 A 4.6412 8.3729 125.3273 51.9492 16.3449 177.3015 114 K 4.1282 8.2150 120.7144 58.2146 33.1056 178.2409 115 H 4.6026 8.0848 116.2823 58.1190 30.7776 174.8308 116 H 4.3306 7.6848 114.9846 55.3996 29.1600 175.6494 117 M 4.1792 7.9528 119.3937 57.3879 31.7820 176.1477 118 M 4.6027 7.3233 117.1674 54.6988 35.6465 172.9913 119 L 5.3601 8.7078 124.9153 53.2085 45.0860 175.7247 120 E 4.6740 8.9257 120.8644 54.6266 34.0648 174.4231 121 W 5.0691 8.9197 124.9142 56.0460 30.1237 175.7450 122 I 4.7080 8.8409 118.3180 58.8551 40.9230 174.8736 123 H 4.6251 8.6020 120.7565 55.2741 29.5465 174.9226 124 P 4.3937 0.0000 0.0000 65.9728 30.9609 178.4623 125 E 4.0120 8.4559 116.9222 59.6405 29.2616 178.8495 126 E 3.7579 8.6066 119.3284 58.6879 29.2923 178.4598 127 L 3.9396 7.8850 119.0967 58.0570 41.4384 179.5871 128 K 4.2299 7.9444 117.6869 58.4814 32.1483 176.8445 129 H 5.0994 8.1447 114.6027 55.3772 28.9488 173.2898 130 R 4.6482 7.5038 117.3295 55.1840 33.5574 176.0849 131 N 4.6839 9.0763 121.2832 54.0196 39.0465 173.4719 132 I 5.0339 7.9685 118.6389 57.0141 40.9018 173.7837 133 P 4.8012 0.0000 0.0000 62.2115 32.0841 176.9650 134 E 3.9116 9.2467 122.4641 59.9084 29.1663 179.4327 135 A 3.7615 7.9006 118.7339 55.0649 18.6366 178.8771 136 N 4.6053 8.3726 115.1745 56.1739 38.7995 177.5233 137 R 3.9190 8.0508 119.7301 59.4924 29.9793 178.0373 138 K 3.9140 7.8719 118.5691 58.8418 32.4260 176.9762 139 I 4.4218 7.5422 110.4650 60.0966 38.0494 177.1747 140 L 3.7802 7.9362 125.6417 58.9593 41.7227 178.4058 141 H 3.3495 7.7191 114.7374 58.3289 28.1119 177.6695 142 K 3.7746 7.0436 120.5479 58.8243 31.7068 179.2886 143 I 3.3291 7.3056 120.1937 64.3609 36.9089 178.0042 144 Y 4.2853 7.4819 117.4559 60.9532 37.6704 178.4107 145 K 3.8484 8.0410 120.3050 59.6840 32.0941 178.3865 146 A 4.1064 7.9554 118.4816 53.7424 18.3595 178.2639 147 L 4.4938 7.2660 115.7870 53.5190 42.4332 176.9456 148 G 3.8979 8.0234 107.0929 46.1435 0.0000 173.4624 149 L 4.7521 8.0429 118.6764 52.4662 43.9249 176.1108 150 E 4.3827 8.3712 120.9179 55.1104 30.5644 176.6465 151 W 4.3668 8.8143 131.6752 57.7615 30.7729 175.5567 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 18 K 8.30 4.21 0.00 1.85 2.00 0.00 1.43 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.45 7.81 19 G 8.34 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.76 4.88 0.00 3.15 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 W 8.65 5.65 0.00 3.13 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 9.38 4.51 1.97 0.00 0.00 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 1.31 0.83 0.97 0.00 0.00 23 P 0.00 4.98 0.00 2.08 1.96 0.00 3.58 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 24 V 9.00 4.87 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 1.01 0.00 0.00 0.96 0.00 0.00 25 V 8.80 4.91 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 0.82 0.00 0.00 0.94 0.00 0.00 26 A 8.97 5.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.83 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 0.00 0.00 0.00 0.00 28 F 8.98 5.05 0.00 3.03 2.89 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 29 L 8.48 4.98 0.00 1.51 1.62 -0.05 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 30 R 9.03 5.50 0.00 1.86 1.96 0.00 3.37 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 31 K 9.40 4.27 0.00 1.83 0.80 0.00 1.70 0.00 0.00 1.25 0.00 0.00 2.69 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.01 1.17 7.81 32 D 9.81 4.41 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.67 3.97 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 0.00 0.00 0.00 34 K 8.00 4.98 0.00 1.97 2.07 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.40 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.36 7.81 35 I 9.14 5.96 2.04 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.78 1.19 0.00 0.00 36 L 8.41 4.22 0.00 0.27 1.07 -0.33 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.46 4.66 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 0.42 0.00 0.00 0.77 0.00 0.00 38 G 8.99 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 0.00 0.00 0.00 39 Q 8.60 3.85 0.00 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.00 40 R 8.16 3.93 0.00 1.57 1.74 0.00 3.17 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 41 P 0.00 3.97 0.00 1.94 1.99 0.00 3.57 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.83 0.00 *48 G 7.97 3.47 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 0.00 0.00 0.00 49 Q 8.17 4.43 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.86 0.00 0.00 0.00 0.00 0.00 2.60 2.36 0.00 50 W 9.62 5.10 0.00 3.12 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 51 E 9.01 4.57 0.00 1.99 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 2.30 2.24 0.00 52 F 8.37 4.85 0.00 3.13 3.33 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 53 P 0.00 4.45 0.00 2.05 1.96 0.00 4.04 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 54 G 8.05 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 6.82 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 56 K 8.34 4.66 0.00 1.65 1.75 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.47 7.81 57 I 8.11 4.11 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 1.20 0.46 0.89 0.00 0.00 58 E 9.49 4.45 0.00 1.97 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 2.28 2.23 0.00 59 N 8.73 4.37 0.00 2.65 2.75 0.00 0.00 7.30 7.98 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 60 G 9.08 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 61 E 7.50 4.79 0.00 2.22 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 2.42 2.18 0.00 62 T 8.72 4.23 4.33 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 1.19 0.00 0.00 63 P 0.00 4.17 0.00 2.24 2.23 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 64 E 7.88 3.54 0.00 1.92 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 2.24 1.80 0.00 65 E 8.37 3.90 0.00 2.10 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 2.30 2.28 0.00 66 A 8.13 4.04 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 67 L 7.83 3.79 0.00 1.61 1.45 0.87 1.27 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 68 A 7.90 3.96 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 69 R 8.05 3.75 0.00 1.93 2.12 0.00 3.19 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 70 E 8.28 3.99 0.00 2.09 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 2.40 2.52 0.00 71 L 8.31 4.03 0.00 1.79 1.67 0.88 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.06 4.59 0.00 3.01 2.96 0.00 0.00 6.97 7.76 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 73 E 8.31 3.92 0.00 2.02 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 2.32 2.43 0.00 74 E 8.83 4.16 0.00 2.02 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 2.19 2.40 0.00 75 L 7.39 4.99 0.00 1.79 1.58 0.75 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.19 3.76 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 0.00 0.00 0.00 77 I 7.44 4.64 2.08 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.89 0.92 0.00 0.00 78 E 9.28 4.80 0.00 2.10 1.98 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 2.28 2.28 0.00 79 A 8.40 4.96 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 80 E 9.10 4.31 0.00 2.12 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 2.33 2.28 0.00 81 V 8.53 3.78 1.98 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 0.48 0.00 0.00 0.89 0.00 0.00 82 G 8.70 4.29 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 0.00 83 E 8.93 4.30 0.00 2.15 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 2.40 2.35 0.00 84 L 8.61 3.56 0.00 1.31 1.42 0.21 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.69 4.45 0.00 1.83 1.92 0.00 1.86 0.00 0.00 1.68 0.00 0.00 3.23 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.67 1.71 7.81 86 L 7.35 4.57 0.00 1.71 1.63 0.56 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.53 5.29 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 88 C 9.32 5.07 0.00 3.02 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 89 T 8.58 5.30 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 90 H 9.27 4.93 0.00 3.10 2.92 0.00 5.54 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.99 4.89 0.00 3.56 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 92 Y 8.37 4.83 0.00 2.94 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 93 G 7.64 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 94 D 8.11 4.39 0.00 2.60 2.64 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 95 V 7.39 4.28 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 0.86 0.00 0.00 0.80 0.00 0.00 96 G 8.59 3.37 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 0.00 97 I 8.59 5.16 1.85 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.02 1.03 0.00 0.00 98 L 8.92 5.13 0.00 1.78 1.52 0.64 0.85 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 99 I 8.90 4.68 1.68 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 1.24 0.80 -0.02 0.00 0.00 100 L 8.54 4.88 0.00 1.60 1.43 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.98 4.85 0.00 2.71 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.72 5.04 0.00 2.85 2.85 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 0.00 0.00 0.00 103 E 9.23 4.78 0.00 2.23 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 2.49 2.49 0.00 104 I 9.33 4.99 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.84 1.29 0.00 0.00 105 L 9.21 4.71 0.00 1.87 1.63 1.06 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.03 4.63 0.00 2.96 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 0.00 107 W 8.10 5.64 0.00 3.38 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 9.41 4.54 0.00 1.82 1.83 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.46 7.81 109 G 9.31 4.29 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 0.00 110 E 8.20 4.95 0.00 2.05 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 2.35 2.34 0.00 111 P 0.00 4.54 0.00 2.04 1.87 0.00 3.92 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.92 0.00 112 R 8.58 4.65 0.00 1.87 1.78 0.00 3.17 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 113 A 8.37 4.64 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 0.00 114 K 8.21 4.13 0.00 1.95 1.88 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.53 7.81 115 H 8.08 4.60 0.00 2.98 3.12 0.00 5.74 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.68 4.33 0.00 3.11 3.37 0.00 5.75 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 M 7.95 4.18 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 118 M 7.32 4.60 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.95 0.00 119 L 8.71 5.36 0.00 1.52 1.40 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.93 4.67 0.00 1.58 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 2.18 2.28 0.00 121 W 8.92 5.07 0.00 3.19 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 0.00 122 I 8.84 4.71 1.80 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 1.15 0.92 0.68 0.00 0.00 123 H 8.60 4.63 0.00 3.31 3.29 0.00 5.84 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 0.00 124 P 0.00 4.39 0.00 2.34 2.32 0.00 3.72 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 125 E 8.46 4.01 0.00 1.99 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 2.35 2.27 0.00 126 E 8.61 3.76 0.00 1.98 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 2.09 2.01 0.00 127 L 7.88 3.94 0.00 2.18 1.81 0.89 0.66 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 0.00 128 K 7.94 4.23 0.00 1.91 1.96 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.69 1.77 7.81 129 H 8.14 5.10 0.00 3.17 3.34 0.00 5.69 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 7.50 4.65 0.00 1.58 1.72 0.00 3.05 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.32 0.00 131 N 9.08 4.68 0.00 2.88 2.90 0.00 0.00 6.70 7.82 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 0.00 132 I 7.97 5.03 1.87 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 1.41 1.53 0.97 0.00 0.00 133 P 0.00 4.80 0.00 2.28 2.10 0.00 3.94 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 2.16 2.07 0.00 134 E 9.25 3.91 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 135 A 7.90 3.76 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 0.00 136 N 8.37 4.61 0.00 3.09 3.06 0.00 0.00 6.58 7.24 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 0.00 137 R 8.05 3.92 0.00 1.98 2.19 0.00 3.35 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 138 K 7.87 3.91 0.00 1.93 2.08 0.00 1.89 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.46 7.81 139 I 7.54 4.42 1.75 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 1.46 0.90 0.92 0.00 0.00 140 L 7.94 3.78 0.00 1.99 1.87 0.71 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 141 H 7.72 3.35 0.00 2.19 1.31 0.00 5.51 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 K 7.04 3.77 0.00 1.70 1.68 0.00 1.49 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 0.91 7.81 143 I 7.31 3.33 1.56 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.44 0.28 0.00 0.00 144 Y 7.48 4.29 0.00 3.22 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 0.00 145 K 8.04 3.85 0.00 1.81 1.90 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.46 7.81 146 A 7.96 4.11 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 0.00 147 L 7.27 4.49 0.00 1.71 1.65 0.65 0.44 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 0.00 148 G 8.02 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 0.00 149 L 8.04 4.75 0.00 1.80 1.53 1.01 0.74 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 0.00 150 E 8.37 4.38 0.00 1.93 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 2.31 2.29 0.00 151 W 8.81 4.37 0.00 3.25 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 * Residues marked with a * may have inaccurate shift predictions.