NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3174 8.1849 120.9923 54.7675 42.0292 176.1361 3 K 3.8284 8.4149 119.1551 57.2166 33.0991 173.9855 4 Q 5.0716 8.9765 123.2371 54.4440 31.0594 174.8271 5 V 4.7731 8.7346 122.3886 61.4665 35.9292 173.2302 6 E 4.8665 8.9259 123.6606 54.4599 32.8886 175.1223 7 I 4.8335 8.0037 123.4026 59.3840 41.0979 174.3985 8 F 5.3092 9.0500 124.8826 55.9471 42.0701 174.4865 9 T 5.3139 8.3597 111.8825 60.5816 72.6231 172.5443 10 D 4.5175 8.6332 117.5718 53.7035 45.2385 174.9858 11 G 4.6421 8.8156 111.9874 45.0091 0.0000 172.0702 12 S 4.8407 8.6483 112.8070 57.4226 66.2918 172.9749 13 C 5.1631 8.3681 125.2744 58.1835 34.6651 174.3018 14 L 4.1724 9.1856 125.6173 56.0044 41.8130 176.7302 15 G 4.0935 7.2070 106.3240 45.6389 0.0000 172.9171 16 N 5.0280 8.1897 113.8047 52.3084 39.5186 173.1228 17 P 4.6088 0.0000 0.0000 61.4348 33.9603 175.3074 18 G 3.9650 8.1052 105.6313 45.3772 0.0000 170.6065 19 P 4.9134 0.0000 0.0000 62.4812 32.3746 176.3778 20 G 4.4721 9.3377 110.5226 45.4502 0.0000 170.9468 21 G 4.7018 9.1785 106.2634 45.5019 0.0000 171.7470 22 Y 5.5185 8.3309 117.4647 55.0983 42.0750 174.7831 23 G 4.6807 9.5462 106.9577 44.8841 0.0000 171.4746 24 A 5.5026 9.4756 125.0309 50.6132 23.5241 174.9666 25 I 5.2029 9.3378 120.5693 59.5732 41.4439 174.0975 26 L 5.0666 9.5386 129.5206 53.3674 44.3046 174.8479 27 R 5.1337 9.1416 126.7810 54.6893 33.2583 173.3772 28 Y 4.7757 8.8148 127.2253 56.5663 40.8728 176.5876 29 R 3.1914 8.6797 123.0002 55.7833 27.2069 174.5377 30 G 4.2080 7.7407 118.6814 45.2031 0.0000 171.9409 31 R 4.0060 7.7659 116.5025 55.9026 31.3325 175.3281 32 E 5.2315 8.4568 120.1920 54.9288 32.8903 174.1356 33 K 4.5588 9.6694 126.9992 54.9018 34.8459 175.2130 34 T 5.0243 8.0494 120.5107 61.8337 71.1204 173.7722 35 F 5.1604 8.9407 123.2103 56.0215 43.4434 173.9353 36 S 4.8499 9.0220 113.2723 58.7096 65.2142 174.8549 37 A 4.3274 6.8269 121.2657 50.9151 22.5607 175.1809 38 G 4.3485 8.2380 106.5521 44.5096 0.0000 171.4801 39 Y 5.3828 9.2865 121.3081 55.8496 40.5952 176.9617 40 T 3.8737 8.9328 114.1358 64.7442 70.1017 173.8026 41 R 4.5582 7.8819 122.3314 55.8632 32.2460 173.4515 42 T 4.0648 8.6797 123.8218 61.3533 70.9464 172.2946 43 T 4.7814 7.9170 108.1326 58.9538 72.1864 173.9858 44 N 4.2674 8.6790 120.6164 56.9486 38.9312 176.9498 45 N 4.2439 7.8753 117.2922 56.4574 38.6636 177.4295 46 R 3.8676 7.7277 119.2726 59.4966 30.0986 179.1301 47 M 4.0899 8.0851 118.3793 58.1560 31.3904 178.6380 48 A 4.0921 8.2367 121.1557 55.0657 18.5751 179.7532 49 L 3.8428 7.7890 117.1217 58.1334 41.6870 179.3917 50 M 3.7343 7.9617 118.4132 58.3490 31.5893 178.5769 51 A 3.6421 7.8083 120.3293 55.0763 18.5459 179.6423 52 A 3.8977 7.6047 118.0197 55.2244 18.4556 179.7516 53 I 3.5306 8.0219 118.6993 64.5844 37.0716 178.7539 54 V 3.2985 7.8147 118.9252 65.8419 31.0681 177.8889 55 A 3.1620 6.9369 118.8026 54.8796 18.5121 179.3023 56 L 3.9362 7.6755 117.4634 57.9646 41.5087 179.5621 57 E 4.0793 8.0941 116.7494 58.5479 29.4500 178.6300 58 A 4.1639 7.3275 119.9307 52.9568 18.8481 177.7117 59 L 4.0626 7.1714 118.2249 54.8199 42.1230 177.1320 60 K 4.4575 8.3910 121.2551 55.8964 32.5233 175.4345 61 E 4.5332 7.4196 115.3713 55.0708 31.8257 174.3475 62 H 4.5267 8.5703 117.0656 56.7663 29.1150 174.7806 63 C 5.0237 9.0469 120.3741 57.7841 32.5676 172.6445 64 E 4.6675 9.2573 122.1839 55.0808 30.5854 174.7011 65 V 4.6863 8.5356 127.6752 61.0692 34.6825 174.4124 66 I 4.4701 8.0070 128.2301 59.6969 38.8120 174.1871 67 L 4.5661 7.9445 130.7361 53.2233 43.6150 174.8869 68 S 5.1066 8.5562 122.5534 57.2229 63.7077 172.7307 69 T 5.0255 8.7202 120.5414 61.1792 70.9110 173.4367 70 D 4.9753 8.9732 126.4733 53.3387 40.5733 176.7386 71 S 4.3251 8.1474 116.2370 58.7573 63.1989 174.4968 72 Q 3.9986 8.7941 128.5375 58.3058 28.7222 177.7655 73 Y 4.2661 8.0233 120.8703 60.6832 39.0209 177.7800 74 V 3.7375 7.8828 118.8331 65.9089 31.7022 177.6849 75 R 2.0000 7.4184 118.1269 58.9316 29.5699 178.4015 76 Q 3.1727 7.3452 117.4366 58.4758 28.4524 178.7792 77 G 2.8967 6.8264 105.9646 47.7470 0.0000 175.4008 78 I 3.7155 7.1934 121.2048 64.1822 37.2832 178.2753 79 T 4.0355 7.3074 108.1569 63.6951 68.7475 174.2856 80 Q 4.1030 7.6675 120.1755 56.4131 32.9627 177.1961 81 W 3.4028 6.7051 116.5937 59.5635 28.9493 178.1858 82 I 3.6688 7.5683 119.0918 64.5319 37.0420 177.2216 83 H 4.0313 7.4116 118.9438 59.2380 29.5452 176.9153 84 N 4.0394 7.6522 116.2453 56.0319 38.6957 176.6474 85 W 4.5948 7.6832 120.4149 60.0675 29.1543 178.6740 86 K 3.1271 7.0786 117.5501 59.0217 31.1445 178.9004 87 A 4.1485 7.0634 116.8505 52.3871 17.9621 178.2259 88 R 4.4652 7.4534 115.5206 57.0978 32.5844 175.3357 89 G 3.8650 8.4974 104.6227 47.0489 0.0000 174.5187 90 W 3.6005 8.0740 116.4071 56.8012 26.6147 174.2755 91 K 4.8123 7.5656 116.3700 54.4707 36.4824 178.8291 92 T 4.3102 9.0558 112.6846 61.8183 68.7093 173.5739 93 A 4.2695 8.5872 122.0025 54.2033 19.0589 177.9764 94 D 4.8256 7.9123 114.7383 53.8498 41.3347 176.6592 95 K 3.8817 8.1758 114.9245 57.1300 29.9194 175.3852 96 K 4.5240 7.4940 117.9628 53.9750 33.6180 174.6297 97 P 4.3243 0.0000 0.0000 63.1607 31.8562 176.2587 98 V 4.1129 7.8362 114.3051 59.3037 33.1024 176.4289 99 K 4.0194 8.2876 123.1768 58.1573 33.1591 176.6799 100 N 4.7456 9.1989 116.9647 54.0229 36.1354 176.9352 101 V 3.4791 7.1380 118.9264 64.7667 31.3157 177.0978 102 D 4.1948 7.9552 119.4793 56.1588 39.1648 178.3731 103 L 4.0538 7.5950 119.5239 56.9414 41.9717 178.9435 104 W 4.5121 8.1916 119.1198 60.0236 28.9450 178.6406 105 Q 3.4557 7.8912 117.9797 58.7355 28.0422 178.9441 106 R 3.9131 7.4329 117.8731 59.0765 30.0971 178.8827 107 L 4.0776 8.5299 120.7056 58.0991 41.8770 178.5014 108 D 4.6211 8.6405 117.5417 57.2441 41.4694 177.8103 109 A 4.2069 8.3902 121.1890 55.2360 18.4903 179.4746 110 A 4.0134 8.1604 119.2990 55.3603 17.9563 179.8937 111 L 4.2122 8.3375 117.6941 57.6839 41.5125 179.4152 112 G 3.8410 7.8004 103.5917 46.5538 0.0000 174.9674 113 Q 4.2723 7.7251 119.3581 56.8685 29.2678 174.5871 114 H 4.9686 7.3720 113.6432 53.9790 33.5681 173.2221 115 Q 4.3745 8.7149 120.8303 55.1473 29.4519 173.8540 116 I 4.4211 8.1280 127.3627 59.5749 39.0682 175.3656 117 K 4.3663 8.8623 128.5675 54.2963 33.9985 174.9364 118 W 4.3942 8.6227 127.8590 56.2229 30.2777 176.3596 119 E 4.3050 8.6493 123.9150 53.5338 30.9609 177.0169 120 W 5.6522 8.0009 129.3373 56.6967 29.8535 177.3846 121 V 4.4240 7.4033 114.5212 61.5098 32.1144 176.0253 *127 H 4.4306 8.5288 125.0407 56.2135 31.0037 172.1530 128 P 5.0558 0.0000 0.0000 65.4550 31.0859 178.6134 129 E 3.7818 8.1215 116.6183 59.3058 29.3633 178.8016 130 N 4.6078 8.0330 115.8333 55.5609 38.5082 177.3312 131 E 3.9812 7.6184 119.6650 59.2475 29.5027 179.1793 132 R 3.8685 7.6006 117.3050 59.6657 30.1143 178.2096 133 C 4.1815 8.1441 116.0589 63.0476 28.1664 175.4571 134 D 4.9550 8.0859 120.7975 56.9990 40.6805 178.2844 135 E 4.0291 8.0087 118.7467 59.2883 29.5257 179.2363 136 L 3.9731 8.4830 119.3381 57.5984 41.5980 179.4723 137 A 4.1337 8.3734 121.0626 55.3533 18.4702 179.9638 138 R 3.8595 8.1273 116.4192 59.2922 29.8820 179.1841 139 A 3.9949 8.1752 119.9052 55.0291 18.6626 179.2854 140 A 3.9914 8.1527 119.1363 55.2108 18.2555 179.7358 141 A 4.0877 8.0434 118.3447 55.1285 18.5044 178.8030 142 M 4.3503 7.5289 114.1332 55.5092 33.6004 176.3846 143 N 4.9827 7.8740 117.5895 51.5199 39.5928 172.6512 144 P 4.3507 0.0000 0.0000 63.2770 32.3525 176.9008 145 T 4.5042 8.3243 109.4527 60.9358 70.1278 173.2108 146 L 4.7529 7.1862 121.1411 53.0369 45.8436 174.2863 147 E 4.8794 8.5496 120.2496 54.8656 31.4804 175.9680 148 D 4.8507 8.4685 126.1522 52.4199 39.9021 176.2921 149 T 3.9279 8.3214 113.5072 64.2202 68.9786 176.7109 150 G 3.7413 8.0217 108.2618 46.5191 0.0000 172.5105 151 Y 4.2900 7.9114 122.2402 57.0294 39.2715 174.6146 152 Q 4.0508 7.9276 126.5119 53.9097 28.9459 175.7248 153 V 3.0803 7.7340 115.9766 62.7953 32.1599 176.5660 154 E 4.1728 8.4350 122.3519 57.0513 29.9559 174.3676 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 L 8.18 4.32 0.00 1.95 1.76 0.98 0.14 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 3 K 8.41 3.83 0.00 1.74 1.73 0.00 1.11 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.55 1.74 7.81 4 Q 8.98 5.07 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 5 V 8.73 4.77 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 0.98 0.00 0.00 0.99 0.00 0.00 6 E 8.93 4.87 0.00 1.81 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 2.17 2.20 0.00 7 I 8.00 4.83 1.58 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.68 0.79 0.00 0.00 8 F 9.05 5.31 0.00 3.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.36 5.31 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 1.26 0.00 0.00 10 D 8.63 4.52 0.00 2.86 2.58 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 11 G 8.82 4.64 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 0.00 0.00 0.00 12 S 8.65 4.84 0.00 3.94 3.69 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 13 C 8.37 5.16 0.00 3.00 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 14 L 9.19 4.17 0.00 1.64 1.69 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.21 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 16 N 8.19 5.03 0.00 2.66 2.67 0.00 0.00 6.85 7.69 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 17 P 0.00 4.61 0.00 1.96 1.87 0.00 3.93 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 18 G 8.11 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 19 P 0.00 4.91 0.00 2.08 2.00 0.00 3.84 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 2.11 2.10 0.00 20 G 9.34 4.47 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 21 G 9.18 4.70 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 0.00 0.00 0.00 22 Y 8.33 5.52 0.00 3.11 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 9.55 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 9.48 5.50 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 25 I 9.34 5.20 2.19 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 1.21 0.84 1.09 0.00 0.00 26 L 9.54 5.07 0.00 1.98 1.80 0.90 0.73 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 27 R 9.14 5.13 0.00 2.06 1.85 0.00 3.15 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 28 Y 8.81 4.78 0.00 2.92 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 29 R 8.68 3.19 0.00 1.77 1.92 0.00 2.26 0.00 0.00 2.63 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 30 G 7.74 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.77 4.01 0.00 2.21 2.00 0.00 3.19 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 32 E 8.46 5.23 0.00 1.95 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 2.24 2.43 0.00 33 K 9.67 4.56 0.00 1.76 1.32 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.42 7.81 34 T 8.05 5.02 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 1.21 0.00 0.00 35 F 8.94 5.16 0.00 3.10 3.13 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 36 S 9.02 4.85 0.00 3.79 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 6.83 4.33 0.98 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 38 G 8.24 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 9.29 5.38 0.00 2.89 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 40 T 8.93 3.87 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 41 R 7.88 4.56 0.00 1.84 1.92 0.00 3.31 0.00 0.00 3.33 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 42 T 8.68 4.06 4.11 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 1.17 0.00 0.00 43 T 7.92 4.78 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 44 N 8.68 4.27 0.00 2.79 2.83 0.00 0.00 6.97 6.71 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 45 N 7.88 4.24 0.00 2.43 1.95 0.00 0.00 7.16 7.66 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 46 R 7.73 3.87 0.00 1.85 1.83 0.00 3.44 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 47 M 8.09 4.09 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.80 0.00 48 A 8.24 4.09 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.79 3.84 0.00 1.71 1.43 0.32 -0.42 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 50 M 7.96 3.73 0.00 1.55 2.06 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.38 0.00 51 A 7.81 3.64 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.60 3.90 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.02 3.53 1.83 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 1.36 0.67 0.84 0.00 0.00 54 V 7.81 3.30 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 0.68 0.00 0.00 0.69 0.00 0.00 55 A 6.94 3.16 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 56 L 7.68 3.94 0.00 1.84 1.69 0.89 0.72 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 57 E 8.09 4.08 0.00 1.84 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 2.53 0.00 58 A 7.33 4.16 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 59 L 7.17 4.06 0.00 1.74 1.55 0.54 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.39 4.46 0.00 1.68 1.79 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.33 7.81 61 E 7.42 4.53 0.00 1.97 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 2.09 2.24 0.00 62 H 8.57 4.53 0.00 3.05 3.29 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 9.05 5.02 0.00 2.71 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 64 E 9.26 4.67 0.00 1.97 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 2.20 0.00 65 V 8.54 4.69 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 0.62 0.00 0.00 0.73 0.00 0.00 66 I 8.01 4.47 1.67 0.00 0.00 0.79 0.00 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 0.75 0.00 0.00 67 L 7.94 4.57 0.00 1.00 0.54 0.21 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.56 5.11 0.00 3.91 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.72 5.03 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 70 D 8.97 4.98 0.00 2.90 3.04 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 71 S 8.15 4.33 0.00 4.10 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 72 Q 8.79 4.00 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 73 Y 8.02 4.27 0.00 3.19 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 74 V 7.88 3.74 2.37 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 1.06 0.00 0.00 1.03 0.00 0.00 75 R 7.42 2.00 0.00 0.85 1.40 0.00 2.35 0.00 0.00 2.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.50 0.00 76 Q 7.35 3.17 0.00 1.20 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 1.81 2.11 0.00 77 G 6.83 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 0.00 0.00 0.00 78 I 7.19 3.72 1.66 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 1.61 -0.35 0.56 0.00 0.00 79 T 7.31 4.04 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 1.14 0.00 0.00 80 Q 7.67 4.10 0.00 1.24 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.85 0.00 0.00 0.00 0.00 0.00 1.97 1.88 0.00 81 W 6.71 3.40 0.00 1.78 1.74 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 82 I 7.57 3.67 1.91 0.00 0.00 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 1.50 1.71 0.92 0.00 0.00 83 H 7.41 4.03 0.00 3.24 3.28 0.00 5.84 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 84 N 7.65 4.04 0.00 2.48 2.69 0.00 0.00 6.88 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 85 W 7.68 4.59 0.00 2.98 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.08 3.13 0.00 1.46 1.63 0.00 2.10 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.00 0.86 7.81 87 A 7.06 4.15 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 88 R 7.45 4.47 0.00 1.89 1.87 0.00 3.46 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 89 G 8.50 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 0.00 0.00 0.00 90 W 8.07 3.60 0.00 3.38 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.57 4.81 0.00 1.82 1.67 0.00 1.78 0.00 0.00 1.96 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.74 7.81 92 T 9.06 4.31 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 93 A 8.59 4.27 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 94 D 7.91 4.83 0.00 2.65 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 95 K 8.18 3.88 0.00 1.90 1.89 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.38 7.81 96 K 7.49 4.52 0.00 1.81 1.69 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.56 7.81 97 P 0.00 4.32 0.00 2.00 1.97 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 98 V 7.84 4.11 1.19 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 0.37 0.00 0.00 0.52 0.00 0.00 99 K 8.29 4.02 0.00 2.04 1.95 0.00 1.68 0.00 0.00 2.12 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.53 7.81 100 N 9.20 4.75 0.00 3.22 2.95 0.00 0.00 7.36 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 0.00 101 V 7.14 3.48 2.12 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 0.74 0.00 0.00 0.64 0.00 0.00 102 D 7.96 4.19 0.00 2.81 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 0.00 103 L 7.59 4.05 0.00 1.57 1.49 0.79 0.85 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 0.00 104 W 8.19 4.51 0.00 3.23 3.39 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 0.00 105 Q 7.89 3.46 0.00 1.78 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.20 0.00 106 R 7.43 3.91 0.00 1.99 1.93 0.00 3.07 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 107 L 8.53 4.08 0.00 1.73 2.01 1.16 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.64 4.62 0.00 3.37 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 0.00 109 A 8.39 4.21 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 0.00 110 A 8.16 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.34 4.21 0.00 2.06 1.92 1.34 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.80 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 0.00 0.00 0.00 113 Q 7.73 4.27 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.63 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 114 H 7.37 4.97 0.00 2.97 3.39 0.00 5.64 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 0.00 115 Q 8.71 4.37 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 116 I 8.13 4.42 1.74 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.85 -0.30 0.00 0.00 117 K 8.86 4.37 0.00 1.65 1.59 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.72 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.21 1.32 7.81 118 W 8.62 4.39 0.00 2.34 1.74 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 0.00 119 E 8.65 4.30 0.00 1.75 1.83 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 2.03 2.29 0.00 120 W 8.00 5.65 0.00 3.35 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 0.00 121 V 7.40 4.42 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 0.79 0.00 0.00 1.02 0.00 0.00 *127 H 8.53 4.43 0.00 3.23 3.48 0.00 5.71 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 5.06 0.00 2.11 2.06 0.00 3.47 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 2.01 2.00 0.00 129 E 8.12 3.78 0.00 1.16 1.12 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 2.16 1.62 0.00 130 N 8.03 4.61 0.00 2.98 2.95 0.00 0.00 7.05 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 0.00 131 E 7.62 3.98 0.00 2.21 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 2.47 0.00 132 R 7.60 3.87 0.00 1.95 1.91 0.00 3.31 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 133 C 8.14 4.18 0.00 3.26 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.09 4.96 0.00 2.98 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 0.00 135 E 8.01 4.03 0.00 2.18 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 2.34 2.71 0.00 136 L 8.48 3.97 0.00 1.86 1.74 0.98 0.68 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 0.00 137 A 8.37 4.13 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.13 3.86 0.00 1.89 2.00 0.00 3.20 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 139 A 8.18 3.99 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 0.00 140 A 8.15 3.99 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 0.00 141 A 8.04 4.09 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 0.00 142 M 7.53 4.35 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.77 0.00 143 N 7.87 4.98 0.00 2.61 2.63 0.00 0.00 7.13 7.11 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 0.00 144 P 0.00 4.35 0.00 2.24 2.13 0.00 3.73 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 145 T 8.32 4.50 4.16 0.00 0.00 0.00 0.00 0.00 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 0.00 146 L 7.19 4.75 0.00 0.97 1.39 0.72 0.75 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 0.00 147 E 8.55 4.88 0.00 1.96 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 2.37 2.35 0.00 148 D 8.47 4.85 0.00 2.65 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 0.00 149 T 8.32 3.93 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 150 G 8.02 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 0.00 151 Y 7.91 4.29 0.00 3.04 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 0.00 152 Q 7.93 4.05 0.00 1.84 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.56 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 153 V 7.73 3.08 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 0.66 0.00 0.00 0.83 0.00 0.00 154 E 8.44 4.17 0.00 2.05 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 0.00 2.24 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.