NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 42 S 4.3671 8.3344 115.2907 58.1768 62.8121 171.9180 43 L 3.9561 7.6864 124.4047 53.9987 43.0688 174.6017 44 T 4.3753 9.1816 124.2351 63.4672 69.9623 173.5666 45 E 4.4969 9.0469 126.6406 55.5467 31.8241 175.4361 46 T 4.8784 7.9490 118.3754 62.0788 71.8646 173.4156 47 Y 4.4899 9.1466 124.2267 56.5499 40.8836 177.7572 48 G 3.9769 8.5798 118.0824 46.9390 0.0000 173.5357 49 L 4.4657 8.1735 124.7570 54.3114 42.4678 175.9411 50 W 4.8672 8.4175 119.8659 55.2741 31.5189 175.4660 51 S 5.3408 9.0334 118.8258 56.8715 66.2440 173.1465 52 I 5.0396 8.7141 122.5382 59.7180 40.6162 174.3159 53 N 5.1087 8.2882 123.4796 51.4211 42.4009 172.5997 54 C 5.2602 8.7670 119.5512 55.4923 37.7302 173.6626 55 G 4.1718 8.9264 112.6584 44.1019 0.0000 170.8161 56 I 5.1020 8.3070 111.6568 59.3842 40.2015 175.0923 57 Q 4.3416 8.7652 119.0434 55.3665 31.3862 175.2177 *60 K 4.1046 7.7654 118.7907 55.7656 33.8118 174.4534 61 K 4.7733 8.6493 128.3670 56.2726 33.1996 176.3409 62 V 4.4796 8.6599 126.5153 60.4306 34.4086 173.5020 63 C 5.4557 9.0209 123.4511 55.3058 37.3084 173.0943 64 F 5.4209 8.9598 118.0988 55.1992 41.5950 173.3744 65 M 5.4008 9.4787 120.1219 54.1830 34.6343 174.0916 66 H 5.7555 9.7573 121.0077 54.6187 33.0113 172.2998 67 R 4.3958 8.5768 118.9407 55.1075 33.4710 173.5380 68 Q 4.9747 8.5116 124.5310 54.1227 31.7352 174.5374 69 E 4.6807 9.1623 122.3038 54.6658 32.2860 175.6436 70 V 4.9350 8.2763 116.2820 59.6587 35.4695 175.3391 71 N 4.7934 8.1920 119.6402 51.6350 39.5282 175.3261 72 D 4.4177 8.5379 116.3613 56.4146 39.6235 176.7923 73 Q 4.2222 8.1528 116.9739 55.3063 28.8032 174.9167 74 N 4.2088 7.9278 115.4246 54.3220 38.3010 173.6180 75 R 4.5807 7.8929 111.9594 53.3369 31.5335 175.5217 76 V 4.0641 8.2170 120.3696 63.2746 32.0485 175.2623 77 V 4.2475 8.4818 127.5166 63.9897 33.0255 176.3671 78 V 4.7962 7.4231 118.0099 59.9336 34.9971 174.2108 79 A 5.1163 8.8335 123.5966 50.5887 23.3040 174.5221 80 M 5.2619 9.0152 118.7677 54.0257 36.0793 173.9256 81 S 5.5306 9.5276 120.4707 56.7054 66.2416 172.7298 82 V 5.1056 9.3824 125.6077 61.5921 35.2575 174.1009 83 V 4.8707 9.3951 120.0930 59.4689 35.5995 174.0454 84 L 4.8159 8.4237 124.4869 54.1047 43.2746 175.7742 85 N 4.8973 8.7613 123.2562 51.7296 40.3780 176.1521 86 A 4.0378 8.7166 123.7247 55.3186 18.6506 179.0329 87 D 4.3980 7.9690 114.4922 55.3691 39.9154 176.8665 88 G 4.1239 7.5739 108.4693 45.0313 0.0000 173.2941 89 V 4.2861 7.8558 119.9234 59.9973 33.8799 174.9604 90 V 4.6940 8.4356 124.6513 62.2211 32.7416 174.7218 91 S 4.8582 9.1587 121.8960 56.2692 67.0117 173.9659 92 G 4.2770 7.5046 107.0152 46.4529 0.0000 171.3787 93 N 5.4574 8.6543 119.4229 51.3814 43.2063 173.2752 94 L 4.8190 9.1131 125.1124 53.7443 44.8028 174.9515 95 T 4.8809 8.9689 123.4130 62.2619 70.4373 174.4104 96 V 4.5745 8.5820 119.8958 58.4989 35.2636 173.5872 97 P 4.5287 0.0000 0.0000 62.2392 32.0495 176.5643 98 F 4.4824 8.2470 119.9044 58.7917 39.5557 175.9933 99 G 3.9551 9.0634 108.9211 45.9654 0.0000 172.8007 100 I 4.4602 7.4440 119.7390 59.2499 38.5217 175.2755 101 L 4.0038 8.9485 127.5754 55.2394 41.8668 177.8741 102 V 3.8241 8.3722 127.2041 65.4261 31.8249 177.2003 103 S 4.3083 8.0561 113.1407 59.7575 63.4652 174.1410 104 K 4.5076 7.2169 118.9967 54.2153 33.3393 174.5426 105 P 4.6529 0.0000 0.0000 62.4888 32.8087 175.6463 106 V 4.4067 9.2130 122.7990 61.5397 33.3029 174.3675 107 R 4.9644 9.1624 129.4594 55.0093 31.9486 174.6505 108 L 5.3435 9.2929 126.5238 53.0830 44.7005 175.2811 109 Q 5.2333 9.0934 124.3943 53.2607 32.9684 173.8862 110 V 4.2149 8.4499 126.5070 62.3931 32.6350 176.7885 111 D 4.1667 8.7318 130.0873 55.8938 40.8502 174.5615 112 E 4.5689 9.0387 124.1994 56.8422 30.0398 176.0408 113 G 3.8821 7.7466 109.4406 44.7917 0.0000 174.0226 114 K 4.0624 8.3461 116.6910 57.5554 32.4516 177.8452 115 A 4.2699 7.5759 121.5572 51.1835 17.7971 175.0297 116 V 4.8960 8.2752 119.3101 61.6315 34.1943 174.3695 117 I 4.6089 9.1453 128.9547 59.4121 40.0745 174.0981 118 E 5.0157 8.7725 126.7902 54.8938 31.7554 174.5104 119 T 4.6745 8.8911 121.0224 60.9113 71.7265 171.7681 120 G 4.5751 8.3334 107.9666 44.1501 0.0000 172.6060 121 I 4.1000 8.2602 121.0321 61.3800 37.7025 176.5478 122 R 4.0726 8.9358 126.6376 58.7707 30.4219 175.8304 123 T 4.4777 7.2236 109.3220 61.6185 70.1675 172.0116 124 C 5.4954 8.5605 120.7646 55.1737 44.6669 173.7072 125 V 4.6388 8.5601 115.1575 58.6148 35.1527 174.9066 126 P 4.4212 0.0000 0.0000 65.9952 31.0554 178.0594 127 A 4.0228 7.8417 119.1972 53.2896 18.9372 176.7909 128 G 2.9250 6.8830 101.9602 43.8291 0.0000 171.0634 129 C 5.0265 8.1611 117.8905 56.0746 40.6208 173.1695 130 I 4.7209 9.0823 125.3010 59.9807 38.8546 174.8175 131 V 4.6712 8.9642 128.0021 60.4179 33.2872 172.9734 132 P 5.1574 0.0000 0.0000 61.8256 32.2870 176.1181 133 I 4.4041 8.5602 116.6265 58.9316 40.9215 174.3037 134 V 4.3696 7.8494 124.1356 61.0019 34.0461 174.1628 135 F 5.0919 8.8369 127.5238 55.6605 40.7119 175.8581 136 D 4.7695 8.7908 123.3735 52.1849 40.9956 177.1463 137 K 3.9137 8.7629 118.2106 60.0173 31.6690 179.2521 138 N 4.4053 8.2232 116.0930 56.3134 38.5342 176.7718 139 Y 3.7878 8.6083 121.1755 60.3214 38.8888 177.7135 140 V 3.5167 8.2893 119.3929 66.1124 31.1355 177.9168 141 A 3.9656 7.9824 119.9650 55.0337 18.0637 179.5101 142 A 3.8303 7.5599 119.3716 55.0632 18.1598 179.8204 143 L 3.4559 7.4332 116.7833 57.8442 41.5832 179.7115 144 R 4.0312 7.6294 116.8489 58.5933 30.0949 178.1165 145 A 4.4356 7.4255 117.4056 51.7712 19.3957 177.5496 146 G 3.8162 6.9960 106.0380 44.9414 0.0000 173.6196 147 K 4.4630 8.8851 117.1199 57.7174 34.2840 176.5285 148 H 5.3700 8.7736 116.5792 53.8259 32.5040 173.1041 149 L 4.9458 9.1553 125.2678 53.5759 42.8180 175.3911 150 K 4.6661 9.3511 127.4029 56.1834 33.5390 176.2551 151 L 5.3388 9.0645 123.9224 52.9659 44.9942 175.3528 152 A 5.1102 8.9649 124.0782 50.5063 22.3381 175.0070 153 M 5.0198 9.0449 118.8083 54.6729 35.8507 173.4414 154 T 4.9572 8.3134 114.9233 61.7917 71.2595 174.0867 155 I 4.3165 8.8375 127.6089 61.0399 38.5504 175.7784 156 A 4.6763 8.8882 129.8352 51.0102 16.6937 176.2970 157 A 4.5812 7.9449 122.5265 49.5970 22.6991 174.3094 158 P 4.3370 0.0000 0.0000 64.5613 31.5546 176.8332 159 G 3.9213 8.8865 111.9320 44.1329 0.0000 172.7625 160 E 4.0642 7.7960 117.2833 55.8754 27.1928 172.6104 161 P 4.6757 0.0000 0.0000 61.5331 33.3651 175.5959 162 P 4.8549 0.0000 0.0000 62.6306 32.9211 175.4692 163 L 4.6724 9.3768 124.2417 53.8816 43.6869 176.1707 164 N 5.2524 9.2004 121.7896 51.9600 40.3209 174.8775 165 D 4.8015 8.1007 116.7662 53.4056 40.2864 176.1090 166 L 4.4482 7.5477 120.7841 54.3767 43.5371 175.3709 167 F 5.3838 7.5972 115.2544 56.1500 41.1526 173.0642 168 V 4.6342 8.8612 119.7491 61.1480 33.8569 174.6175 169 Q 4.6893 9.5803 128.0125 55.8650 29.3738 176.1201 170 L 4.8601 9.1890 122.9148 54.4018 42.3883 175.5305 171 N 4.5355 8.1727 119.1125 56.8497 38.8139 175.2647 172 G 4.2000 9.2293 114.6911 45.2428 0.0000 174.1959 173 F 3.1006 8.4394 122.2446 61.1467 39.1950 176.8638 174 S 4.0801 8.0869 111.9833 61.6243 62.3304 175.7303 175 N 4.1752 8.0704 118.4074 56.1508 38.3133 177.1744 176 A 3.2927 7.9322 122.3822 54.6142 18.3647 179.4937 177 L 3.6171 7.6970 119.2454 58.1120 42.1050 178.7383 178 N 4.1814 8.0703 116.6387 56.4177 38.3876 177.3297 179 R 3.7679 7.4457 119.4358 59.2250 29.9755 178.5184 180 L 3.9224 7.7174 118.8916 57.7518 41.0601 179.5841 181 I 3.6724 7.8872 119.5883 64.3862 36.6710 178.4052 182 A 4.0524 8.0776 121.5600 55.0504 17.9467 179.5797 183 L 4.0492 7.9760 116.6745 57.4980 41.7477 179.2831 184 Q 4.1448 7.6059 118.0203 58.8266 28.7168 178.3909 185 K 4.1498 7.5758 117.5302 59.0093 32.1463 177.5329 186 E 4.2799 7.7490 122.3365 56.5705 29.5839 176.4636 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 42 S 8.33 4.37 0.00 3.86 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 43 L 7.69 3.96 0.00 1.70 1.54 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 44 T 9.18 4.38 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 1.19 0.00 0.00 45 E 9.05 4.50 0.00 2.02 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 0.00 2.27 2.29 0.00 46 T 7.95 4.88 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 1.18 0.00 0.00 47 Y 9.15 4.49 0.00 2.98 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 48 G 8.58 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 49 L 8.17 4.47 0.00 1.86 1.68 0.99 0.82 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 50 W 8.42 4.87 0.00 3.50 3.20 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 51 S 9.03 5.34 0.00 3.29 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 52 I 8.71 5.04 1.97 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 1.23 0.82 0.87 0.00 0.00 53 N 8.29 5.11 0.00 1.78 2.36 0.00 0.00 6.43 7.64 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 54 C 8.77 5.26 0.00 2.81 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.93 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 0.00 0.00 0.00 56 I 8.31 5.10 1.89 0.00 0.00 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 1.44 0.80 0.93 0.00 0.00 57 Q 8.77 4.34 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.45 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 *60 K 7.77 4.10 0.00 1.87 1.72 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.46 7.81 61 K 8.65 4.77 0.00 1.83 1.72 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.46 7.81 62 V 8.66 4.48 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.02 0.00 0.00 63 C 9.02 5.46 0.00 2.89 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 64 F 8.96 5.42 0.00 3.25 3.11 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 65 M 9.48 5.40 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 66 H 9.76 5.76 0.00 3.39 3.63 0.00 5.52 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 67 R 8.58 4.40 0.00 0.67 0.66 0.00 2.70 0.00 0.00 2.50 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.22 0.00 68 Q 8.51 4.97 0.00 1.87 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.47 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 69 E 9.16 4.68 0.00 1.63 1.64 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 2.10 2.48 0.00 70 V 8.28 4.93 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 0.70 0.00 0.00 0.91 0.00 0.00 71 N 8.19 4.79 0.00 2.96 2.94 0.00 0.00 7.10 7.41 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 72 D 8.54 4.42 0.00 2.79 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 73 Q 8.15 4.22 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 74 N 7.93 4.21 0.00 2.84 2.86 0.00 0.00 6.99 7.80 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 75 R 7.89 4.58 0.00 2.02 2.00 0.00 2.82 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 76 V 8.22 4.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.93 0.00 0.00 77 V 8.48 4.25 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 0.75 0.00 0.00 0.87 0.00 0.00 78 V 7.42 4.80 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 0.68 0.00 0.00 0.98 0.00 0.00 79 A 8.83 5.12 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 80 M 9.02 5.26 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 3.06 0.00 81 S 9.53 5.53 0.00 3.92 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 82 V 9.38 5.11 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 1.00 0.00 0.00 1.27 0.00 0.00 83 V 9.40 4.87 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 0.79 0.00 0.00 1.00 0.00 0.00 84 L 8.42 4.82 0.00 1.65 1.56 0.90 0.98 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 85 N 8.76 4.90 0.00 2.85 2.78 0.00 0.00 6.54 7.86 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 86 A 8.72 4.04 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 87 D 7.97 4.40 0.00 2.80 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 88 G 7.57 4.12 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 0.00 0.00 0.00 89 V 7.86 4.29 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 0.80 0.00 0.00 1.01 0.00 0.00 90 V 8.44 4.69 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 1.31 0.00 0.00 1.02 0.00 0.00 91 S 9.16 4.86 0.00 3.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 7.50 4.28 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 0.00 93 N 8.65 5.46 0.00 2.56 2.64 0.00 0.00 6.92 6.29 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 94 L 9.11 4.82 0.00 1.77 1.69 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.97 4.88 4.18 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 1.09 0.00 0.00 96 V 8.58 4.57 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 0.78 0.00 0.00 0.96 0.00 0.00 97 P 0.00 4.53 0.00 1.91 1.95 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.19 0.00 98 F 8.25 4.48 0.00 3.07 2.87 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 99 G 9.06 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 0.00 0.00 0.00 0.00 100 I 7.44 4.46 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.89 0.99 0.00 0.00 101 L 8.95 4.00 0.00 1.68 1.68 0.93 0.86 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 0.00 102 V 8.37 3.82 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 0.88 0.00 0.00 0.95 0.00 0.00 103 S 8.06 4.31 0.00 4.02 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 0.00 104 K 7.22 4.51 0.00 1.83 1.77 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.40 7.81 105 P 0.00 4.65 0.00 1.94 1.98 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 106 V 9.21 4.41 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 0.95 0.00 0.00 0.94 0.00 0.00 107 R 9.16 4.96 0.00 1.91 1.81 0.00 3.13 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 108 L 9.29 5.34 0.00 1.72 1.76 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 9.09 5.23 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 110 V 8.45 4.21 1.82 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 0.78 0.00 0.00 0.44 0.00 0.00 111 D 8.73 4.17 0.00 2.75 1.70 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 0.00 112 E 9.04 4.57 0.00 1.88 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 2.18 2.22 0.00 113 G 7.75 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 0.00 114 K 8.35 4.06 0.00 1.72 1.85 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.41 7.81 115 A 7.58 4.27 0.66 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 0.00 116 V 8.28 4.90 2.15 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 0.92 0.00 0.00 0.98 0.00 0.00 117 I 9.15 4.61 1.72 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.47 0.81 0.00 0.00 118 E 8.77 5.02 0.00 1.95 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 0.00 2.18 2.28 0.00 119 T 8.89 4.67 4.18 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 1.22 0.00 0.00 120 G 8.33 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.26 4.10 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.57 0.97 0.00 0.00 122 R 8.94 4.07 0.00 1.72 1.92 0.00 3.27 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 123 T 7.22 4.48 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 0.00 124 C 8.56 5.50 0.00 3.10 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 0.00 125 V 8.56 4.64 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 0.79 0.00 0.00 1.00 0.00 0.00 126 P 0.00 4.42 0.00 2.08 2.20 0.00 3.71 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 2.06 2.15 0.00 127 A 7.84 4.02 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 0.00 128 G 6.88 2.92 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 0.00 129 C 8.16 5.03 0.00 2.85 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.08 4.72 1.85 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 1.09 0.99 0.88 0.00 0.00 131 V 8.96 4.67 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 0.91 0.00 0.00 0.92 0.00 0.00 132 P 0.00 5.16 0.00 1.91 1.91 0.00 3.82 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.88 0.00 133 I 8.56 4.40 1.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.76 0.80 0.00 0.00 134 V 7.85 4.37 1.93 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 0.77 0.00 0.00 0.82 0.00 0.00 135 F 8.84 5.09 0.00 3.09 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 0.00 136 D 8.79 4.77 0.00 2.97 2.87 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 0.00 137 K 8.76 3.91 0.00 1.82 1.95 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.57 1.52 7.81 138 N 8.22 4.41 0.00 2.96 2.87 0.00 0.00 6.78 7.48 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 0.00 139 Y 8.61 3.79 0.00 3.27 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 0.00 140 V 8.29 3.52 2.29 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 1.03 0.00 0.00 1.11 0.00 0.00 141 A 7.98 3.97 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 0.00 142 A 7.56 3.83 1.01 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 0.00 0.00 143 L 7.43 3.46 0.00 1.37 0.55 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.63 4.03 0.00 1.89 1.98 0.00 3.17 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.92 0.00 145 A 7.43 4.44 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 0.00 146 G 7.00 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.89 4.46 0.00 1.76 1.79 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.38 7.81 148 H 8.77 5.37 0.00 2.93 3.11 0.00 5.62 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 0.00 149 L 9.16 4.95 0.00 1.77 1.84 1.13 1.05 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 0.00 150 K 9.35 4.67 0.00 1.89 1.80 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.55 1.47 7.81 151 L 9.06 5.34 0.00 1.71 1.58 1.08 0.83 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 0.00 152 A 8.96 5.11 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 0.00 153 M 9.04 5.02 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.68 0.00 154 T 8.31 4.96 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 1.30 0.00 0.00 155 I 8.84 4.32 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.71 0.99 0.00 0.00 156 A 8.89 4.68 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 0.00 157 A 7.94 4.58 1.23 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 0.00 158 P 0.00 4.34 0.00 2.05 2.03 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 159 G 8.89 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 0.00 0.00 0.00 160 E 7.80 4.06 0.00 2.10 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 2.26 2.22 0.00 161 P 0.00 4.68 0.00 2.08 1.97 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 162 P 0.00 4.85 0.00 2.09 2.06 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 163 L 9.38 4.67 0.00 1.73 1.57 0.99 0.82 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 0.00 164 N 9.20 5.25 0.00 2.74 2.82 0.00 0.00 7.26 8.06 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 0.00 165 D 8.10 4.80 0.00 2.87 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 0.00 166 L 7.55 4.45 0.00 1.64 1.55 0.83 0.90 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 0.00 167 F 7.60 5.38 0.00 3.01 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 0.00 168 V 8.86 4.63 2.30 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 1.07 0.00 0.00 1.03 0.00 0.00 169 Q 9.58 4.69 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.78 0.00 170 L 9.19 4.86 0.00 1.93 1.66 0.77 0.26 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 0.00 171 N 8.17 4.54 0.00 2.82 2.87 0.00 0.00 7.34 7.91 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 0.00 172 G 9.23 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 F 8.44 3.10 0.00 2.85 2.82 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 0.00 0.00 0.00 0.00 174 S 8.09 4.08 0.00 3.96 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.07 4.18 0.00 2.82 2.85 0.00 0.00 6.97 7.93 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 0.00 176 A 7.93 3.29 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 0.00 177 L 7.70 3.62 0.00 1.29 1.58 0.78 0.96 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 0.00 178 N 8.07 4.18 0.00 2.77 2.75 0.00 0.00 6.66 7.35 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 0.00 179 R 7.45 3.77 0.00 1.36 1.62 0.00 3.13 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.66 0.00 180 L 7.72 3.92 0.00 1.91 1.62 0.87 0.82 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 0.00 181 I 7.89 3.67 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.19 0.88 0.00 0.00 182 A 8.08 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 0.00 183 L 7.98 4.05 0.00 1.75 1.74 0.91 0.90 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 0.00 184 Q 7.61 4.14 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 185 K 7.58 4.15 0.00 1.90 1.86 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.59 7.81 186 E 7.75 4.28 0.00 2.10 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 2.34 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.