NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.4001 8.0433 122.6807 54.7212 41.8214 175.6822 4 I 4.5413 7.5138 121.9870 59.4210 39.0933 171.8131 5 V 4.5077 9.7359 128.6600 61.1266 34.7912 173.5270 6 N 5.0455 8.9882 125.7313 52.1596 40.2689 174.1246 7 V 4.7151 8.5934 124.9541 61.4317 33.4957 174.3513 8 I 4.8715 8.9035 129.8413 59.5903 40.0195 174.3756 9 N 5.3792 9.2872 125.1166 51.6687 41.2014 175.7189 10 G 4.2283 9.2345 113.9451 44.0014 0.0000 171.3674 11 P 4.7798 0.0000 0.0000 63.6120 31.6590 177.0635 12 N 4.4392 9.0483 116.5213 53.9290 36.3847 175.5235 13 L 4.4165 7.5439 116.2503 55.3345 42.1332 177.7370 14 G 3.7385 7.9319 106.7181 46.8534 0.0000 174.3255 15 R 4.4203 7.3405 118.4543 55.9437 30.4203 176.2890 16 L 3.9958 7.7856 119.7456 56.4384 41.5366 177.4825 17 G 4.2471 9.1887 114.0315 46.8136 0.0000 172.8920 18 R 4.5115 7.7164 114.2222 55.5924 31.6426 176.6390 *25 G 3.5970 8.1435 107.4988 46.4981 0.0000 172.9685 26 G 4.3873 8.5444 120.6483 45.9119 0.0000 171.6990 27 T 4.4585 7.6418 116.2632 62.0141 69.4025 175.6076 28 T 5.0037 8.2870 117.9717 60.2065 71.8632 175.4118 29 H 4.0213 8.5688 120.0736 59.3400 29.8907 176.8492 30 D 4.3508 8.0681 120.3650 57.4802 40.5988 178.4789 31 E 3.9801 7.9006 118.6068 59.0736 29.3635 179.1541 32 L 3.8195 7.9683 120.6716 57.9691 42.1444 179.0840 33 V 3.3872 7.9488 118.3498 66.0121 31.4614 177.8452 34 A 3.9709 7.7405 119.8532 55.1421 18.3310 179.6223 35 L 3.9264 7.9810 117.4753 57.9293 41.6989 179.8781 36 I 3.7152 7.8541 119.8216 64.5005 37.0668 178.4400 37 E 3.9883 8.1888 119.4327 59.1655 29.3287 179.4520 38 R 3.8654 7.9555 118.9702 59.4046 29.8235 178.2551 39 E 3.9638 8.1541 118.5943 59.0536 29.6231 178.6441 40 A 3.9871 8.1791 120.8103 55.0988 18.2442 179.5179 41 A 4.1159 7.9574 118.3139 54.9402 18.5306 178.8241 42 E 4.1329 7.9739 115.4754 57.6091 29.9730 177.4188 43 L 4.5754 7.5276 116.4695 54.2888 42.8185 176.4466 44 G 3.8508 8.5262 106.2515 46.1838 0.0000 172.9401 45 L 4.9200 8.2446 117.4994 52.3284 46.0023 176.0989 46 K 4.6015 8.6747 122.0030 54.6476 34.5050 174.6686 47 A 5.1292 8.5615 128.5405 50.1918 21.3958 175.3132 48 V 3.9960 8.4133 123.8038 61.7072 32.9891 174.7216 49 V 4.6287 8.1748 128.4991 61.3452 32.8638 175.0437 50 R 4.5665 8.7719 126.1736 54.3714 34.4501 173.9701 51 Q 5.2018 8.5785 122.0083 54.7241 32.1660 174.0452 52 S 4.8129 9.0402 119.1581 57.3237 65.9956 173.5222 53 D 4.6435 8.9091 123.4698 54.6751 41.5039 175.7650 54 S 4.8491 7.7286 115.4768 56.5838 64.2327 174.0375 55 E 3.8487 8.6418 129.3069 59.3444 29.5904 178.5800 56 A 3.8930 7.8747 120.3484 55.2062 18.4414 179.2220 57 Q 3.4189 7.4242 117.0053 59.1071 29.0253 178.4972 58 L 4.0737 7.4245 119.8287 57.6737 41.5735 179.4460 59 L 3.8510 7.9547 119.0774 57.6421 41.4766 179.0329 60 D 4.3009 7.9870 117.9049 57.2738 41.2131 178.3582 61 W 4.4956 7.9605 119.3640 59.9963 29.0272 178.6486 62 I 3.8788 7.9872 119.8665 64.4831 36.6204 178.0985 63 H 4.3011 8.5245 117.5997 59.1269 28.5743 177.8731 64 Q 4.0589 8.4749 119.6468 58.9838 28.6006 178.7259 65 A 4.0773 8.3445 121.4247 54.7014 17.8828 179.6521 66 A 3.9917 8.0619 119.8240 55.5015 18.2880 179.6482 67 D 4.2598 7.9471 115.8980 57.2426 40.9987 177.4303 68 A 4.1686 8.1899 118.9802 51.6784 19.1289 176.5423 69 A 3.7900 7.2087 117.3956 53.2448 16.6850 176.9346 70 E 4.7863 7.9417 118.7669 54.4914 32.0584 176.1092 71 P 4.6323 0.0000 0.0000 62.8603 33.0395 175.2749 72 V 4.8092 8.6200 122.2235 61.2496 34.7826 174.2202 73 I 4.7488 9.1403 129.2738 59.8711 38.8351 174.1854 74 L 5.1161 8.9978 130.4937 53.1656 44.7471 174.6228 75 N 5.2424 9.4689 124.7865 50.8279 40.3393 174.3956 76 A 4.1903 8.7073 128.4997 51.9828 20.3330 178.4823 77 G 3.9442 7.9819 105.2739 46.3766 0.0000 178.2763 78 G 3.8032 8.6988 113.0731 47.7785 0.0000 174.8834 79 L 4.2657 7.6686 121.5495 56.8074 41.4806 179.0989 80 T 3.9007 7.6453 116.1683 66.7462 68.2231 175.0907 81 H 4.9009 7.5233 113.8730 56.2523 29.2789 175.8020 82 T 4.6180 7.8169 109.3277 61.0746 70.6969 173.0773 83 S 4.5974 8.2291 117.5559 56.6397 62.5060 174.5060 84 V 3.3477 7.9063 128.3777 65.4805 31.4610 177.3888 85 A 3.9235 7.8436 120.2250 55.1926 18.2085 179.2316 86 L 3.9116 7.9147 118.7542 58.0994 42.0810 179.1049 87 R 3.9247 7.5312 117.3723 59.6283 29.8103 178.3187 88 D 4.3691 8.1345 117.4883 57.2044 41.0698 178.3215 89 A 4.1913 7.9669 121.0854 55.4089 17.9392 179.5066 90 C 4.2304 8.3098 114.6514 62.4239 27.9000 176.0506 91 A 4.1104 7.5705 121.5507 54.8346 17.9673 178.5956 92 E 4.0341 7.9111 116.1508 58.8783 29.8211 177.6254 93 L 4.0321 7.4202 118.7636 55.2783 41.7979 177.2004 94 S 4.3536 8.7089 118.2149 59.6744 63.9814 174.3367 95 A 4.5445 7.6629 121.5631 50.0245 20.1092 175.4552 96 P 4.4014 0.0000 0.0000 63.0451 32.9391 175.2302 97 L 5.2456 8.8386 124.5717 53.3770 45.1079 174.9315 98 I 4.8508 8.7416 127.3787 59.4459 39.8495 174.2593 99 E 4.7369 8.9663 129.0227 55.4275 31.1990 175.1231 100 V 4.6121 8.7217 126.4812 61.3328 35.1417 173.7410 101 H 4.8303 8.8937 123.9063 54.2363 32.1715 174.5133 102 I 3.9627 8.6356 124.3482 64.4978 37.8766 176.9882 103 S 4.6427 7.9138 114.2379 57.1110 64.2969 173.6543 104 N 4.5108 8.3415 119.4212 52.5130 37.2684 175.1563 105 V 3.4881 8.2827 126.5786 66.1179 31.6575 177.5308 106 H 4.3036 8.1599 113.9830 57.1665 28.8606 175.4805 107 A 4.4520 7.7948 121.2305 52.1459 19.4694 177.4179 108 R 4.7675 6.9512 116.0995 54.4989 32.0030 175.8209 109 E 3.9933 8.2504 117.0320 57.1340 30.3499 177.7965 110 E 3.8866 8.6135 120.0902 59.4407 29.7201 179.4996 111 F 4.3860 7.6935 112.2905 59.2376 38.5143 176.5439 112 R 3.5365 6.9531 120.4717 58.5647 29.9485 178.1999 113 R 4.0276 7.6261 114.7998 57.1279 30.1131 175.5983 114 H 4.8794 7.5118 117.3637 54.1009 31.7089 173.4456 115 S 4.6658 7.8375 119.4027 56.5948 64.8934 173.5892 116 Y 4.2664 8.6303 125.4674 60.3143 38.2370 177.5301 117 L 4.3390 7.9217 119.6040 56.9933 42.4504 178.6520 118 S 4.2729 7.9679 116.5730 60.6696 62.5966 175.1666 119 P 4.1671 0.0000 0.0000 64.8717 31.2086 177.7594 120 I 4.1825 7.0244 107.6049 60.4914 38.5095 176.0602 121 A 4.2861 7.2536 123.7580 52.1656 19.1019 177.6858 122 T 4.0839 8.7972 118.2644 66.5534 68.9820 175.0648 123 G 4.1014 7.6147 105.7999 45.1393 0.0000 171.9268 124 V 4.8896 8.0951 119.3898 60.9369 34.4921 174.4431 125 I 4.5105 8.8802 128.8288 59.4899 39.5103 174.7928 126 V 4.5955 8.0111 125.9092 62.0624 34.8501 176.1591 127 G 3.9959 8.8347 114.7040 46.0286 0.0000 173.6019 128 L 4.4297 7.4008 117.9820 53.8061 42.6073 178.9517 129 G 3.8475 7.8862 107.8506 46.2849 0.0000 175.8052 130 I 4.0509 8.3015 118.6321 64.3064 37.1700 177.6063 131 Q 4.2539 8.2372 119.8692 58.2536 29.0118 177.8853 132 G 3.6607 7.9565 106.7684 48.2470 0.0000 175.2710 133 Y 4.0845 7.7846 118.3653 60.9646 37.8888 178.6584 134 L 4.0798 7.9288 119.4191 57.8440 41.6826 179.4390 135 L 4.1081 8.5598 119.0866 57.4234 41.0506 179.3724 136 A 4.0474 7.8933 120.8037 54.9985 18.1520 179.6471 137 L 4.0154 8.0217 117.6838 57.9667 41.4500 179.7214 138 R 3.9379 7.7648 117.5852 59.2882 30.1996 177.6160 139 Y 4.2045 7.8742 119.7083 60.7259 38.6120 178.0495 140 L 4.0744 7.6706 117.8008 57.3309 41.7659 178.9645 141 A 4.1901 7.6815 120.4768 53.9680 18.2568 177.8727 142 E 4.6077 7.4435 114.1102 56.2908 30.2483 175.8884 143 H 4.2303 7.8493 121.7393 56.0583 29.8122 173.3408 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 L 8.04 4.40 0.00 1.36 1.67 0.92 0.56 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 4 I 7.51 4.54 1.99 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 1.22 1.10 0.92 0.00 0.00 5 V 9.74 4.51 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 1.00 0.00 0.00 0.94 0.00 0.00 6 N 8.99 5.05 0.00 2.68 2.67 0.00 0.00 6.14 7.20 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 7 V 8.59 4.72 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 1.07 0.00 0.00 0.95 0.00 0.00 8 I 8.90 4.87 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.54 1.18 0.00 0.00 9 N 9.29 5.38 0.00 2.69 2.79 0.00 0.00 6.46 7.44 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 10 G 9.23 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 11 P 0.00 4.78 0.00 2.22 2.02 0.00 4.25 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 2.14 2.24 0.00 12 N 9.05 4.44 0.00 2.96 2.98 0.00 0.00 7.01 6.74 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 13 L 7.54 4.42 0.00 1.95 1.78 1.05 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.93 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 0.00 0.00 0.00 15 R 7.34 4.42 0.00 1.99 1.96 0.00 3.35 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 16 L 7.79 4.00 0.00 1.74 1.88 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.19 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 0.00 0.00 0.00 0.00 18 R 7.72 4.51 0.00 1.76 1.88 0.00 3.25 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 *25 G 8.14 3.60 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 0.00 0.00 0.00 26 G 8.54 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 27 T 7.64 4.46 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 1.27 0.00 0.00 28 T 8.29 5.00 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 1.26 0.00 0.00 29 H 8.57 4.02 0.00 3.20 3.32 0.00 5.68 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 30 D 8.07 4.35 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.90 3.98 0.00 2.16 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 2.31 2.30 0.00 32 L 7.97 3.82 0.00 1.70 1.59 0.56 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.95 3.39 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 0.88 0.00 0.00 0.83 0.00 0.00 34 A 7.74 3.97 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 35 L 7.98 3.93 0.00 1.89 1.70 0.92 0.58 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 36 I 7.85 3.72 1.88 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.90 0.87 0.00 0.00 37 E 8.19 3.99 0.00 1.99 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 2.29 2.35 0.00 38 R 7.96 3.87 0.00 2.04 2.06 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 39 E 8.15 3.96 0.00 2.28 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 2.33 2.38 0.00 40 A 8.18 3.99 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 41 A 7.96 4.12 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 42 E 7.97 4.13 0.00 2.16 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 2.31 2.34 0.00 43 L 7.53 4.58 0.00 1.84 1.68 0.96 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 44 G 8.53 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 45 L 8.24 4.92 0.00 1.43 1.53 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.67 4.60 0.00 1.82 1.63 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.34 7.81 47 A 8.56 5.13 1.17 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 0.00 0.00 48 V 8.41 4.00 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 0.81 0.00 0.00 0.87 0.00 0.00 49 V 8.17 4.63 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 0.68 0.00 0.00 0.82 0.00 0.00 50 R 8.77 4.57 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.63 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.10 0.00 51 Q 8.58 5.20 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.73 0.00 0.00 0.00 0.00 0.00 2.44 2.16 0.00 52 S 9.04 4.81 0.00 3.93 3.61 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 0.00 0.00 0.00 0.00 53 D 8.91 4.64 0.00 2.82 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.73 4.85 0.00 3.83 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 55 E 8.64 3.85 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 56 A 7.87 3.89 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 57 Q 7.42 3.42 0.00 1.93 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 1.56 1.16 0.00 58 L 7.42 4.07 0.00 1.80 1.76 0.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.95 3.85 0.00 1.77 1.54 0.89 0.74 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 60 D 7.99 4.30 0.00 2.74 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.96 4.50 0.00 3.63 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 62 I 7.99 3.88 1.97 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 1.58 1.07 0.95 0.00 0.00 63 H 8.52 4.30 0.00 3.37 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.47 4.06 0.00 2.39 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 65 A 8.34 4.08 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 0.00 0.00 0.00 0.00 0.00 66 A 8.06 3.99 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 0.00 0.00 0.00 0.00 0.00 67 D 7.95 4.26 0.00 2.88 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 68 A 8.19 4.17 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 69 A 7.21 3.79 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 70 E 7.94 4.79 0.00 1.88 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 2.26 2.37 0.00 71 P 0.00 4.63 0.00 2.10 2.01 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 72 V 8.62 4.81 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 1.11 0.00 0.00 1.01 0.00 0.00 73 I 9.14 4.75 1.95 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 1.15 0.65 0.98 0.00 0.00 74 L 9.00 5.12 0.00 1.74 1.50 1.06 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.47 5.24 0.00 2.77 3.02 0.00 0.00 6.97 8.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.71 4.19 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 77 G 7.98 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.70 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.67 4.27 0.00 1.81 1.75 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.65 3.90 3.96 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 1.28 0.00 0.00 81 H 7.52 4.90 0.00 3.41 3.44 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.82 4.62 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 1.35 0.00 0.00 83 S 8.23 4.60 0.00 3.86 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.91 3.35 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 0.95 0.00 0.00 0.32 0.00 0.00 85 A 7.84 3.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.91 3.91 0.00 1.77 1.67 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.53 3.92 0.00 2.01 2.10 0.00 3.39 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 1.66 1.90 0.00 88 D 8.13 4.37 0.00 2.82 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 89 A 7.97 4.19 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 90 C 8.31 4.23 0.00 3.18 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 91 A 7.57 4.11 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 92 E 7.91 4.03 0.00 2.19 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 2.36 2.31 0.00 93 L 7.42 4.03 0.00 1.76 1.67 0.99 0.89 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 94 S 8.71 4.35 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.66 4.54 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 96 P 0.00 4.40 0.00 2.18 2.13 0.00 3.57 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 97 L 8.84 5.25 0.00 1.76 1.49 1.01 0.73 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 98 I 8.74 4.85 1.85 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 0.97 0.63 0.84 0.00 0.00 99 E 8.97 4.74 0.00 2.02 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 100 V 8.72 4.61 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 0.15 0.00 0.00 0.69 0.00 0.00 101 H 8.89 4.83 0.00 3.01 3.10 0.00 5.67 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 0.00 102 I 8.64 3.96 1.93 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 1.55 1.21 0.96 0.00 0.00 103 S 7.91 4.64 0.00 3.97 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 0.00 104 N 8.34 4.51 0.00 2.81 2.76 0.00 0.00 6.48 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 0.00 105 V 8.28 3.49 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 0.67 0.00 0.00 0.71 0.00 0.00 106 H 8.16 4.30 0.00 3.15 3.29 0.00 5.74 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 0.00 107 A 7.79 4.45 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 6.95 4.77 0.00 1.65 1.72 0.00 3.14 0.00 0.00 3.20 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 109 E 8.25 3.99 0.00 1.70 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 1.62 1.47 0.00 110 E 8.61 3.89 0.00 2.00 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 2.36 2.23 0.00 111 F 7.69 4.39 0.00 3.05 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 0.00 112 R 6.95 3.54 0.00 1.67 1.75 0.00 2.89 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.69 0.00 113 R 7.63 4.03 0.00 1.90 1.97 0.00 3.08 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 114 H 7.51 4.88 0.00 3.08 3.12 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.84 4.67 0.00 3.78 3.60 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 0.00 116 Y 8.63 4.27 0.00 3.18 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 0.00 117 L 7.92 4.34 0.00 1.71 1.72 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 118 S 7.97 4.27 0.00 3.85 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 0.00 119 P 0.00 4.17 0.00 2.05 2.14 0.00 3.80 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 2.06 2.15 0.00 120 I 7.02 4.18 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.61 0.94 0.00 0.00 121 A 7.25 4.29 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 0.00 122 T 8.80 4.08 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 123 G 7.61 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 0.00 124 V 8.10 4.89 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 0.90 0.00 0.00 0.93 0.00 0.00 125 I 8.88 4.51 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.44 0.84 0.00 0.00 126 V 8.01 4.60 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 1.05 0.00 0.00 0.93 0.00 0.00 127 G 8.83 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.40 4.43 0.00 1.47 1.68 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.89 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 0.00 130 I 8.30 4.05 1.93 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 1.58 1.23 0.96 0.00 0.00 131 Q 8.24 4.25 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 132 G 7.96 3.66 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 0.00 0.00 0.00 133 Y 7.78 4.08 0.00 3.19 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 0.00 134 L 7.93 4.08 0.00 1.84 1.75 0.95 0.70 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 0.00 135 L 8.56 4.11 0.00 1.65 1.73 0.92 0.80 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 0.00 136 A 7.89 4.05 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 0.00 137 L 8.02 4.02 0.00 2.00 1.76 0.98 0.83 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 0.00 138 R 7.76 3.94 0.00 1.82 2.14 0.00 3.30 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 139 Y 7.87 4.20 0.00 3.07 3.12 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 0.00 0.00 0.00 140 L 7.67 4.07 0.00 1.84 1.74 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.68 4.19 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 0.00 142 E 7.44 4.61 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 143 H 7.85 4.23 0.00 2.78 2.90 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.