NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4191 8.4345 115.3053 58.7428 63.4462 173.6814 4 T 4.5393 8.6263 118.6212 60.8361 68.5863 172.4740 5 D 4.8688 7.8579 120.6031 54.3652 42.6052 177.1637 6 W 4.4950 8.2922 119.1256 59.9754 27.8270 178.0010 7 K 3.3519 6.4571 121.9233 59.6129 31.5064 179.5217 8 S 4.1088 7.6279 118.4391 63.2053 61.6708 177.7111 9 D 4.5848 7.9575 122.0595 57.3679 40.6031 179.0140 10 L 4.3499 8.2694 121.9518 58.4796 41.6025 180.3805 11 R 4.1060 8.1078 122.8012 62.0227 29.1658 180.8960 12 Q 4.6027 8.0711 118.0213 58.0935 28.0837 178.5851 13 R 4.5980 7.0191 113.2892 56.3769 31.6635 176.0686 14 G 3.6731 8.3811 105.9525 45.8906 0.0000 173.0827 15 Y 5.0887 8.1722 116.2698 55.7197 40.9739 175.4797 16 R 4.8463 8.5032 118.3853 54.4136 32.6971 174.2185 17 L 4.6081 8.6104 120.1735 53.4271 43.2126 177.4463 18 T 4.2361 8.2494 114.1378 60.4505 70.9998 173.5566 19 P 4.2418 0.0000 0.0000 66.2997 31.3193 178.9534 20 Q 4.0918 8.0813 115.7574 58.9995 28.5712 179.0926 21 R 3.9346 7.5070 118.7989 59.0938 30.0656 178.9970 22 Q 3.7586 8.3182 118.2205 58.6877 28.5829 178.5744 23 L 3.9408 8.2756 120.5437 57.8744 41.6699 179.8330 24 V 3.4784 7.5364 117.6824 65.7242 31.4243 177.8429 25 L 3.7803 7.7358 120.2042 57.9630 41.7809 178.5572 26 E 3.8248 8.4597 119.4806 59.1184 29.5963 178.5258 27 A 3.9341 8.1659 121.0820 55.3477 18.1029 179.8038 28 V 3.6680 7.8564 116.6406 65.9370 31.2837 177.8151 29 D 4.2242 7.7331 117.0721 57.7223 41.2573 178.0964 30 T 4.0377 8.4288 115.5016 66.6893 68.5544 176.5427 31 L 4.2761 8.4703 122.5408 55.5524 41.7158 174.5882 32 E 3.6529 7.9814 121.5284 56.3196 28.9642 175.9683 33 H 4.1085 8.7363 122.6961 55.8122 26.3865 175.2648 34 A 4.5328 7.5425 121.5403 51.8637 19.7551 177.9212 35 T 4.8350 8.6708 112.6327 59.9339 72.0223 174.3362 36 P 4.0218 0.0000 0.0000 66.0839 31.2641 178.4327 37 D 4.2322 7.9834 116.1726 57.0975 41.1940 177.8826 38 D 4.3414 7.9492 119.3938 57.3919 40.7941 178.6630 39 I 3.6329 7.9747 120.5951 64.1919 37.0623 178.0550 40 L 3.9333 7.9476 121.3101 58.1461 41.6577 179.2718 41 G 3.5831 7.8172 104.0485 47.7936 0.0000 174.9072 42 E 4.0599 8.2678 122.1153 59.0357 29.6280 179.1396 43 V 3.6170 8.1580 118.6193 65.8918 31.3084 178.1142 44 R 4.5599 7.9404 119.0560 58.2224 29.6180 178.6496 45 K 4.2326 7.7756 116.7472 58.3947 31.9874 177.4927 46 T 4.3536 7.6865 113.4093 64.0754 71.1156 173.8546 47 A 4.6176 8.0781 126.1759 49.4748 18.9981 176.2925 48 S 4.2817 7.8237 116.3655 60.8796 63.4910 177.2496 49 G 3.9291 7.9990 106.5763 45.7293 0.0000 172.6315 50 I 4.1757 7.2417 120.3161 59.5355 38.8761 175.2809 51 N 4.9375 8.1285 123.7980 51.0452 41.0868 175.7183 52 I 3.4952 8.0155 119.9409 63.8062 37.9480 177.8787 53 S 4.3928 7.9990 115.0924 61.7904 62.8040 176.5024 54 T 3.8600 7.7883 118.8754 66.2724 68.2094 176.7354 55 V 3.4552 7.3017 119.9728 65.9343 31.4724 177.7624 56 Y 4.2193 8.0566 116.9911 61.2130 37.7408 178.8171 57 R 4.2745 8.1461 120.3492 59.0513 30.1974 179.2215 58 T 3.8556 8.0732 115.7058 66.5847 68.3845 176.7180 59 L 3.8700 7.8083 120.8893 57.5828 41.3904 179.3077 60 E 3.9504 8.1044 118.5633 59.2943 29.3686 179.1145 61 L 3.9178 8.2567 120.4762 58.3427 42.2185 178.9937 62 L 3.8799 8.2944 119.1546 57.6378 41.4354 179.3567 63 E 4.7025 8.2852 120.6791 58.9508 29.4689 178.4667 64 E 3.9224 8.0553 118.0016 59.0694 29.7237 178.0503 65 L 4.1066 7.8788 119.2513 56.0752 42.3164 177.5688 66 G 4.0363 8.0911 106.5634 45.1556 0.0000 174.2661 67 L 4.2806 7.9726 119.9625 56.5145 42.9662 177.0394 68 V 4.9315 7.7336 117.1262 61.2745 35.2758 174.5451 69 S 5.1097 9.2390 120.3679 57.2792 67.6887 172.5539 70 H 5.1938 8.5107 116.0176 53.9865 31.5780 172.5287 71 A 4.4703 8.3342 119.1611 50.9823 23.0114 174.9077 72 H 5.1263 9.5652 118.5115 53.9370 30.9620 174.4299 73 L 4.8970 8.7386 122.3919 54.0197 42.5369 177.2705 74 G 3.8261 8.6984 114.5991 48.5294 0.0000 172.7550 75 H 3.8026 9.3120 117.9426 56.0069 26.4719 175.5343 76 G 3.8769 8.2179 105.9640 45.8026 0.0000 173.7128 77 A 4.3731 8.0327 122.8643 50.7707 19.3733 176.0759 78 P 4.7098 0.0000 0.0000 62.6451 32.6018 175.8330 79 T 4.7979 8.8865 112.6412 60.1520 72.0243 172.2048 80 Y 5.1576 9.2056 121.5557 56.9475 40.7499 174.3955 81 H 5.2443 8.8601 117.3182 53.9368 33.0200 172.5273 82 L 4.5392 8.6265 118.6240 54.5409 42.0725 178.2416 83 A 3.9688 8.8695 128.9532 56.1916 18.4119 179.5074 84 D 4.4786 8.2419 115.0779 55.4044 40.3088 179.8035 85 R 4.5235 7.7913 115.2181 55.6771 31.7252 180.1810 86 H 4.0047 8.4499 111.7589 59.4895 26.0161 177.8180 *87 H 4.5739 7.7814 115.6313 52.5099 26.7126 175.5231 88 H 4.7146 7.3586 119.5014 55.1022 31.5645 172.9612 89 I 4.4801 8.2505 118.9594 60.2911 39.2357 174.9266 90 H 5.2464 8.7954 123.6181 54.4661 31.2981 174.0087 91 L 5.0896 8.7930 122.7006 53.0534 44.3049 175.6680 92 V 4.3557 8.8610 126.0458 61.8635 32.9990 174.9934 93 C 4.5303 8.3219 127.9112 59.8205 29.1877 175.5897 94 R 4.0298 8.3591 123.5903 58.3110 28.5394 174.4361 95 D 4.5982 8.0119 122.2133 55.2118 47.3800 180.0440 96 C 4.2640 8.1681 122.3260 59.9117 32.5661 175.0568 97 T 4.3875 8.4132 123.3825 60.6043 65.5412 172.4040 98 N 5.1892 7.5730 122.7182 51.5691 42.8450 176.4195 99 V 4.6785 8.5007 122.9804 60.4959 33.6932 174.3750 100 I 4.3833 8.3097 128.3425 59.6379 39.6284 173.9549 101 E 4.9651 8.7776 128.8363 55.3376 30.9819 175.4996 102 A 4.6647 8.9474 125.5916 49.6176 22.7534 174.7231 103 D 4.7433 8.9696 121.6630 54.8053 41.7461 177.5775 104 L 4.2566 8.8912 125.5076 57.6517 41.1005 179.1191 105 S 4.1422 9.2683 115.7450 61.3543 63.0653 176.7473 106 V 3.8720 7.7336 116.2479 63.4721 30.7139 176.3772 107 A 4.6829 8.0095 118.4036 51.3674 20.4462 178.9132 108 A 4.0498 9.0228 123.8971 56.8674 18.2938 180.5823 109 D 4.3338 8.0815 116.6549 57.5076 41.1204 178.1386 110 F 4.2676 8.4651 120.9383 61.9634 39.1522 177.0300 111 T 3.7222 8.1865 108.6960 64.8298 68.4094 176.0214 112 A 3.9956 7.8284 125.8796 55.4901 18.5438 180.1829 113 K 3.9458 8.8290 125.1086 60.6505 31.6968 181.7012 114 L 4.4891 7.9060 125.4125 60.2462 40.9888 182.3817 115 R 4.6209 8.3734 126.0364 61.4368 28.7731 179.7670 116 E 4.5692 8.2838 119.0487 60.6816 29.8871 182.5234 117 Q 4.0879 8.0617 123.8293 59.3898 28.3750 179.8462 118 F 4.9964 7.5753 112.1065 56.1853 41.4631 174.6982 119 G 4.3884 7.9148 107.1208 47.7618 0.0000 173.5454 120 F 4.7582 8.2906 121.2754 55.9023 41.3085 172.9106 121 D 4.6939 8.1480 127.8617 52.7423 41.9822 175.1254 122 T 4.5040 7.9584 120.3010 60.0922 70.5971 172.9548 123 D 4.4303 8.6496 125.6689 54.3418 40.1902 177.5857 124 M 3.4489 7.9209 116.4151 55.2001 30.5653 177.4893 125 K 4.3478 8.7244 118.8004 59.2498 33.1383 177.2485 126 H 3.9791 8.4723 118.4055 58.8372 30.2156 174.3025 127 F 5.4115 7.9396 113.7985 55.5246 41.5178 175.4615 128 A 4.6259 8.3234 122.8480 51.7673 20.0909 176.6613 129 I 4.5186 8.5261 119.4421 59.6591 39.7802 175.1267 130 F 5.0624 8.8448 129.7722 57.5494 40.7880 175.2990 131 G 3.8452 7.3342 112.5877 47.1319 0.0000 172.3847 132 R 4.7347 8.7034 120.3905 54.9346 32.0032 171.6241 133 C 4.8643 8.2755 120.5821 55.5211 30.8627 174.1027 134 E 4.0877 8.9203 121.0964 57.6743 29.5930 173.9058 135 S 4.3492 7.4497 115.0153 58.8515 62.3733 173.4704 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 S 8.43 4.42 0.00 3.92 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 4 T 8.63 4.54 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 1.21 0.00 0.00 5 D 7.86 4.87 0.00 2.67 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 6 W 8.29 4.49 0.00 3.63 3.41 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 7 K 6.46 3.35 0.00 0.79 1.12 0.00 1.35 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.18 0.97 7.81 8 S 7.63 4.11 0.00 3.78 3.85 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 9 D 7.96 4.58 0.00 2.94 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 10 L 8.27 4.35 0.00 1.90 2.16 1.21 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.11 4.11 0.00 1.86 1.94 0.00 3.27 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 12 Q 8.07 4.60 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 13 R 7.02 4.60 0.00 2.05 1.91 0.00 3.26 0.00 0.00 3.47 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 14 G 8.38 3.67 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 0.00 0.00 0.00 15 Y 8.17 5.09 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 16 R 8.50 4.85 0.00 1.95 1.92 0.00 3.07 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 17 L 8.61 4.61 0.00 1.83 1.67 0.96 0.43 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 18 T 8.25 4.24 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 1.23 0.00 0.00 19 P 0.00 4.24 0.00 2.18 2.17 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 20 Q 8.08 4.09 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 21 R 7.51 3.93 0.00 2.07 1.89 0.00 3.10 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 22 Q 8.32 3.76 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.78 0.00 23 L 8.28 3.94 0.00 1.83 1.67 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.54 3.48 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 0.85 0.00 0.00 0.89 0.00 0.00 25 L 7.74 3.78 0.00 1.59 1.48 0.69 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.46 3.82 0.00 1.99 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 0.00 2.29 2.32 0.00 27 A 8.17 3.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.86 3.67 2.17 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 1.08 0.00 0.00 0.96 0.00 0.00 29 D 7.73 4.22 0.00 2.80 2.90 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 30 T 8.43 4.04 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 1.21 0.00 0.00 31 L 8.47 4.28 0.00 1.76 1.75 0.92 0.91 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 32 E 7.98 3.65 0.00 2.17 1.86 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 2.15 2.13 0.00 33 H 8.74 4.11 0.00 3.28 3.37 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.54 4.53 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 35 T 8.67 4.83 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 1.25 0.00 0.00 36 P 0.00 4.02 0.00 2.08 1.79 0.00 3.74 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.21 0.00 37 D 7.98 4.23 0.00 2.76 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 38 D 7.95 4.34 0.00 2.98 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 39 I 7.97 3.63 1.93 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 1.62 0.83 0.80 0.00 0.00 40 L 7.95 3.93 0.00 1.71 1.79 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.82 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.27 4.06 0.00 2.07 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 2.29 2.34 0.00 43 V 8.16 3.62 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 1.02 0.00 0.00 0.95 0.00 0.00 44 R 7.94 4.56 0.00 2.10 1.95 0.00 3.15 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.60 0.00 45 K 7.78 4.23 0.00 1.82 1.86 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.69 7.81 46 T 7.69 4.35 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 1.21 0.00 0.00 47 A 8.08 4.62 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 48 S 7.82 4.28 0.00 4.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.00 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 50 I 7.24 4.18 1.83 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 1.30 0.86 0.89 0.00 0.00 51 N 8.13 4.94 0.00 2.90 2.89 0.00 0.00 5.84 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 52 I 8.02 3.50 1.72 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.82 0.89 0.00 0.00 53 S 8.00 4.39 0.00 4.15 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 54 T 7.79 3.86 4.36 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 1.17 0.00 0.00 55 V 7.30 3.46 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 0.85 0.00 0.00 0.82 0.00 0.00 56 Y 8.06 4.22 0.00 3.16 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 57 R 8.15 4.27 0.00 1.85 1.97 0.00 3.15 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 58 T 8.07 3.86 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 1.11 0.00 0.00 59 L 7.81 3.87 0.00 1.60 1.24 0.16 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.10 3.95 0.00 2.20 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 2.33 2.33 0.00 61 L 8.26 3.92 0.00 1.64 1.75 0.78 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.29 3.88 0.00 1.60 1.63 0.78 0.72 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 63 E 8.29 4.70 0.00 2.22 2.17 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 2.35 2.39 0.00 64 E 8.06 3.92 0.00 1.97 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 2.29 2.32 0.00 65 L 7.88 4.11 0.00 1.79 1.63 0.45 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.09 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 0.00 0.00 0.00 67 L 7.97 4.28 0.00 1.59 1.67 0.91 0.85 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 68 V 7.73 4.93 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.89 0.00 0.00 69 S 9.24 5.11 0.00 3.60 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.51 5.19 0.00 2.33 2.60 0.00 5.52 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.33 4.47 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 9.57 5.13 0.00 3.34 3.37 0.00 5.56 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 73 L 8.74 4.90 0.00 1.61 1.27 0.77 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.70 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 75 H 9.31 3.80 0.00 3.32 3.39 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.22 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 77 A 8.03 4.37 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.71 0.00 1.68 1.72 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 79 T 8.89 4.80 4.22 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 1.15 0.00 0.00 80 Y 9.21 5.16 0.00 2.87 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 81 H 8.86 5.24 0.00 3.25 3.35 0.00 5.27 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.63 4.54 0.00 1.68 1.66 0.98 0.59 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 83 A 8.87 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.24 4.48 0.00 2.71 2.59 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 85 R 7.79 4.52 0.00 1.82 1.76 0.00 3.39 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 86 H 8.45 4.00 0.00 2.96 3.15 0.00 5.66 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 H 7.78 4.57 0.00 2.92 2.88 0.00 7.24 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 7.36 4.71 0.00 3.27 3.28 0.00 5.47 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.25 4.48 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 1.45 0.78 0.95 0.00 0.00 90 H 8.80 5.25 0.00 3.17 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.79 5.09 0.00 1.75 1.55 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.86 4.36 2.34 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 1.15 0.00 0.00 1.01 0.00 0.00 93 C 8.32 4.53 0.00 3.08 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 94 R 8.36 4.03 0.00 1.59 1.81 0.00 3.30 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 95 D 8.01 4.60 0.00 2.64 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 96 C 8.17 4.26 0.00 2.92 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 97 T 8.41 4.39 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 1.21 0.00 0.00 98 N 7.57 5.19 0.00 2.34 2.63 0.00 0.00 6.22 7.67 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 99 V 8.50 4.68 2.17 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 1.02 0.00 0.00 0.97 0.00 0.00 100 I 8.31 4.38 1.87 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 1.22 1.24 0.94 0.00 0.00 101 E 8.78 4.97 0.00 1.75 1.44 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 0.00 2.37 2.35 0.00 102 A 8.95 4.66 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 0.00 103 D 8.97 4.74 0.00 2.73 2.59 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 0.00 104 L 8.89 4.26 0.00 1.90 1.94 0.93 0.56 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 0.00 105 S 9.27 4.14 0.00 4.00 4.22 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 0.00 106 V 7.73 3.87 2.21 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 0.76 0.00 0.00 0.94 0.00 0.00 107 A 8.01 4.68 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 0.00 108 A 9.02 4.05 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 0.00 109 D 8.08 4.33 0.00 2.86 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 0.00 110 F 8.47 4.27 0.00 3.14 3.32 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 0.00 111 T 8.19 3.72 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 1.37 0.00 0.00 112 A 7.83 4.00 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 0.00 113 K 8.83 3.95 0.00 1.73 1.85 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.34 7.81 114 L 7.91 4.49 0.00 1.66 1.70 0.92 0.73 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 0.00 115 R 8.37 4.62 0.00 1.79 1.99 0.00 3.21 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.39 0.00 116 E 8.28 4.57 0.00 1.98 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 2.19 2.18 0.00 117 Q 8.06 4.09 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 118 F 7.58 5.00 0.00 3.18 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 0.00 119 G 7.91 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 0.00 0.00 0.00 0.00 120 F 8.29 4.76 0.00 3.08 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 0.00 121 D 8.15 4.69 0.00 2.53 2.36 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 0.00 122 T 7.96 4.50 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 1.28 0.00 0.00 123 D 8.65 4.43 0.00 2.79 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 0.00 124 M 7.92 3.45 0.00 2.29 2.43 0.00 0.00 0.00 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.79 0.00 125 K 8.72 4.35 0.00 1.69 1.84 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.60 1.37 7.81 126 H 8.47 3.98 0.00 3.03 2.81 0.00 5.82 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 7.94 5.41 0.00 3.04 2.83 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 0.00 0.00 0.00 128 A 8.32 4.63 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.53 4.52 1.90 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 1.16 0.78 0.91 0.00 0.00 130 F 8.84 5.06 0.00 2.94 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 0.00 131 G 7.33 3.85 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 0.00 0.00 0.00 132 R 8.70 4.73 0.00 1.82 1.69 0.00 3.21 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.00 133 C 8.28 4.86 0.00 2.70 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 0.00 134 E 8.92 4.09 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.88 0.00 135 S 7.45 4.35 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.