NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4663 8.3049 118.3255 55.4643 32.9417 174.1666 2 T 4.0674 7.6136 114.4411 62.3301 70.0395 170.7238 3 E 4.9002 9.1543 126.0967 54.5483 32.7463 174.2182 4 Y 5.3011 8.8387 123.6177 56.2549 41.9301 174.6724 5 K 4.9226 9.3000 123.5905 55.0062 34.1843 175.0430 6 L 4.9421 8.7355 126.0220 52.9959 44.2498 176.0782 7 V 4.5748 8.5336 123.2433 61.1086 33.9563 174.2759 8 V 4.5372 8.1982 128.2598 62.0213 32.8318 175.2130 9 V 4.3683 9.8252 120.4022 58.7333 36.0009 175.1086 10 G 4.0905 7.8164 112.2735 44.1692 0.0000 171.8540 11 A 4.4054 7.4815 122.2483 51.1452 18.8694 177.6643 12 G 3.7021 8.6707 110.1797 47.2274 0.0000 173.7144 13 G 3.9159 8.8562 110.8688 46.4064 0.0000 174.8125 14 V 3.8693 7.2346 112.5661 61.4164 32.2088 177.2318 15 G 4.2674 8.5454 109.2448 45.6034 0.0000 175.6474 16 K 3.8387 8.5825 120.6339 59.5674 31.9761 179.1648 17 S 4.7396 8.2761 115.5483 61.0614 62.6522 176.1059 18 A 4.0440 8.0907 121.7124 55.4782 18.3086 179.1844 19 L 4.0933 7.9759 116.9591 58.3020 41.7671 179.5555 20 T 3.7082 7.7610 114.9783 67.1090 68.5293 176.7205 21 I 3.7186 8.0462 121.1489 63.8444 36.9616 178.1894 22 Q 4.1489 8.0106 120.8723 58.5482 28.6295 177.4820 23 L 3.9077 7.5561 120.2444 57.4109 42.3258 178.2056 24 I 4.0285 7.4069 118.8469 63.1501 37.5865 177.1284 25 Q 4.5335 7.9762 117.4512 56.1248 29.4665 175.7556 26 N 4.8873 8.6901 112.2818 52.9333 36.1826 173.4670 27 H 4.9007 7.5238 111.7559 54.3861 31.8702 172.4970 28 F 4.9308 8.6193 122.7852 57.3362 41.7996 172.6189 29 V 3.4662 8.3514 124.5416 62.8165 31.6560 177.0611 *39 S 4.5773 9.0475 106.1351 58.4180 63.9642 171.9406 40 Y 4.7979 9.3166 122.5647 56.3662 41.9398 174.7029 41 R 5.0909 8.1554 120.5332 53.8427 33.7252 175.3739 42 K 4.1492 7.9693 116.3536 55.9506 35.6168 173.2332 43 Q 4.6174 8.9426 129.6019 55.6129 30.0039 175.0080 44 V 4.5602 8.5288 117.9110 60.3131 36.9824 172.9466 45 V 4.7244 8.2904 122.5931 61.2497 33.2662 174.9214 46 I 4.1279 8.1146 128.5531 60.3360 39.2727 175.1052 47 D 4.2443 9.7138 126.2509 55.3475 37.9330 175.0223 48 G 4.1774 8.2665 113.5322 45.3141 0.0000 173.9590 49 E 3.8465 7.7631 120.0794 56.3352 30.0804 175.6408 50 T 4.9771 8.1714 119.2668 60.9973 69.8523 172.8052 51 C 4.9386 8.8013 121.1998 57.3749 33.8163 172.0397 52 L 4.9312 8.6406 122.5313 53.6172 43.7085 175.0536 53 L 4.7259 8.8853 127.3931 53.7642 43.2251 175.4562 54 D 5.1122 9.2372 126.5067 52.9159 42.2236 174.5117 55 I 4.7703 8.8090 127.8035 59.7739 38.7456 174.8058 56 L 4.8932 8.6622 130.6522 53.2631 43.3154 174.4952 57 D 4.8279 8.7188 127.2865 54.2453 42.2011 175.6772 58 T 4.5537 8.2043 121.0268 61.2629 69.0585 173.3224 59 A 4.6456 8.2883 127.1203 50.0538 20.4513 177.5625 60 G 4.3730 8.6394 114.1400 45.7422 0.0000 172.3393 61 Q 4.3858 8.4066 119.7369 57.1120 30.1145 176.8664 *68 R 4.9544 9.1247 119.7719 57.2361 32.8357 177.9231 69 D 4.6629 7.7197 116.7847 54.2075 40.0660 176.5214 70 Q 4.1965 6.9151 117.2643 56.8513 31.4148 174.9421 71 Y 4.4232 7.1990 113.3327 58.7942 38.5718 177.9249 72 M 4.7472 7.8329 118.9486 56.0073 33.6553 176.7459 73 R 4.2538 8.8673 119.3981 57.9911 30.7383 177.4616 74 T 4.1706 8.1206 107.3438 64.2478 69.5115 175.6969 75 G 3.6751 8.0616 109.5989 46.0209 0.0000 172.4158 76 E 4.3298 9.0099 122.0666 57.0886 31.0433 176.9569 77 G 4.1751 7.5941 104.9146 44.1548 0.0000 171.7380 78 F 5.4118 9.0611 120.9379 55.4378 42.7281 174.6535 79 L 4.8209 8.9735 123.6803 53.2639 43.0163 175.0209 80 C 4.6448 8.8212 122.8421 59.1454 28.8356 173.0305 81 V 5.0294 8.3483 124.7210 61.3714 33.4326 174.8061 82 F 5.1432 8.6297 119.1458 55.7707 41.7176 172.7799 83 A 5.0382 8.8369 122.6910 50.7104 20.4725 178.5065 84 I 4.1268 8.6512 114.3683 62.4938 38.0590 177.0162 85 N 4.9601 8.0337 117.0892 51.8269 37.1449 175.0704 86 N 4.8447 8.1104 117.2271 51.6199 40.6771 174.4053 87 T 3.9491 8.4392 124.8736 66.3822 68.7445 176.0019 88 K 4.2647 8.3750 122.5379 59.0480 32.0981 178.7253 89 S 4.3096 8.2292 112.9539 61.5154 62.7058 175.8895 90 F 3.9812 7.9930 123.8609 61.0056 38.9878 176.9939 91 E 3.8853 8.3359 117.5955 58.5021 29.3970 178.2072 92 D 4.6024 8.0219 118.4001 55.4104 41.1331 178.3028 93 I 3.8682 7.2467 121.1808 64.9309 37.1563 177.2142 94 H 4.3198 8.2424 119.5393 58.6336 29.4774 176.4809 95 Q 3.7843 7.7803 120.5942 59.5220 28.3344 178.1204 96 Y 4.0424 7.5841 116.9749 61.0073 37.9540 177.9991 97 R 3.7049 8.3720 120.0706 59.7165 29.9498 178.3552 98 E 3.8144 7.9974 117.9427 59.3587 29.5396 178.9345 99 Q 3.9060 8.0365 119.5002 59.1903 28.7235 178.5128 100 I 3.4417 7.7259 120.6693 63.9826 37.4806 177.7278 101 K 3.7934 8.0539 120.5862 59.9715 31.7219 178.1592 102 R 4.0322 8.0961 119.2583 58.8570 30.0136 180.1525 103 V 4.1942 7.6275 112.6581 60.7732 30.8358 177.4543 104 K 4.1755 9.1145 115.4415 59.5591 34.8771 177.8710 105 D 4.2436 7.6918 116.0124 55.1655 37.1334 175.3794 106 S 4.6299 7.5250 113.5775 57.1050 66.1495 173.6385 107 D 4.4834 8.7325 126.7251 55.8129 41.1020 176.0291 108 D 4.6880 7.8603 117.8992 51.4068 41.0219 174.9669 109 V 4.4137 8.1298 123.2121 59.6446 34.5000 173.1352 110 P 4.3310 0.0000 0.0000 64.0338 32.0102 174.7598 111 M 4.9767 8.1708 120.8100 55.1291 35.3157 173.7910 112 V 4.5335 8.5059 123.6325 60.9847 35.4987 173.9712 113 L 4.9111 9.0634 130.3597 54.6969 43.6821 175.3668 114 V 4.7592 9.5218 126.2486 61.1045 34.7095 174.3763 115 G 3.3593 8.6434 116.0304 44.5119 0.0000 172.6552 116 N 5.5951 8.5248 126.6575 51.4981 41.5601 174.5096 117 K 4.0970 8.6767 116.4528 57.3850 29.1194 177.3186 118 C 4.3939 8.1804 110.2338 59.1798 29.3512 173.4457 119 D 4.5172 7.9013 119.6139 53.9208 39.6453 176.3899 120 L 4.3955 7.5268 119.6649 53.9517 43.1358 175.8253 121 A 4.5120 8.2870 120.5295 52.4738 20.5561 177.6748 122 A 4.3113 7.6592 120.9696 50.6252 17.1213 175.1197 123 R 4.8097 7.6978 120.6054 54.3485 31.7205 175.9554 124 T 4.4103 8.8332 114.4375 61.1232 69.6908 174.0154 125 V 4.2089 7.4326 121.5861 60.8072 33.2503 174.8491 126 E 4.1792 8.9705 127.7069 56.3381 30.2613 178.7300 127 S 4.2058 8.6106 117.3393 61.7289 63.0195 176.7890 128 R 4.0362 8.0527 120.9742 59.5340 29.4716 178.5343 129 Q 3.8621 7.6373 117.7077 58.8619 28.6632 178.4105 130 A 4.0673 7.4767 121.2734 54.9335 18.2666 179.4211 131 Q 3.8491 8.3052 116.8790 59.2515 28.8692 178.5933 132 D 4.3299 7.7351 119.2356 57.6356 41.0845 178.9996 133 L 3.5983 7.6187 120.2575 57.8436 41.8803 178.9270 134 A 4.2278 8.0864 121.0593 55.2091 18.1400 179.8123 135 R 3.8614 8.0596 116.0916 59.3544 30.2805 179.1907 136 S 4.2209 7.9380 112.1880 60.5416 63.0219 175.0245 137 Y 4.8556 7.5639 119.1978 58.2169 38.5859 177.2065 138 G 4.1534 9.0267 106.7861 44.7239 0.0000 172.8261 139 I 4.5683 7.2654 112.1775 58.5462 40.0958 173.7876 140 P 4.6888 0.0000 0.0000 62.6446 32.8688 174.5162 141 Y 5.4242 8.5376 122.5314 56.1181 41.3235 174.8068 142 I 4.3362 8.1724 125.8995 59.5212 41.9591 173.7536 143 E 4.8987 8.3358 125.0990 54.9959 31.2507 175.3783 144 T 4.7637 8.6490 113.1150 60.0644 73.1899 173.0532 145 S 4.5866 8.7627 116.3289 56.2841 64.4186 174.3977 146 A 4.0786 8.5184 130.4373 53.7342 18.3083 178.4325 147 K 2.6938 7.2251 116.9078 58.5144 32.6974 177.4388 148 T 4.1109 7.6469 106.6001 60.8944 68.8942 175.3977 149 R 3.6640 7.7775 119.8420 57.0599 30.0815 175.5951 150 Q 4.0465 7.8063 118.3468 58.1077 29.5837 177.9380 151 G 3.9359 8.8199 111.5495 46.4340 0.0000 175.3518 152 V 3.5972 7.3050 118.8072 66.0403 31.1445 177.7571 153 E 3.5928 7.8880 117.5174 58.9343 29.6297 178.0420 154 D 4.3750 8.0376 118.1938 57.6372 40.9067 178.3949 155 A 3.8577 7.8973 120.6640 55.6931 18.1700 179.7393 156 F 4.0082 7.7678 114.8700 60.8674 39.0794 177.7008 157 Y 4.5934 8.4321 116.7048 61.1190 37.5981 178.4099 158 T 3.9569 8.4180 117.5864 66.4634 68.3518 176.4494 159 L 3.9036 7.6642 121.2016 58.0147 42.2936 179.1226 160 V 3.3987 7.5521 118.0630 66.0739 31.1484 178.2810 161 R 3.9381 8.0275 117.6646 59.3250 29.7162 178.9616 162 E 4.0742 8.2956 118.6146 59.3040 29.4935 179.2332 163 I 3.8838 7.6455 119.6546 63.7828 36.9525 178.0907 164 R 4.2447 7.2473 116.3051 57.8839 29.9353 177.5413 165 Q 4.4515 7.3906 117.1143 56.0683 28.8165 175.4398 166 H 4.4731 7.9403 123.2030 56.0178 29.5770 173.3270 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 1 M 8.30 4.47 0.00 1.99 2.32 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 2 T 7.61 4.07 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 3 E 9.15 4.90 0.00 1.85 1.71 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 0.00 2.16 2.26 0.00 4 Y 8.84 5.30 0.00 2.97 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 5 K 9.30 4.92 0.00 1.70 1.73 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.42 7.81 6 L 8.74 4.94 0.00 1.71 1.60 1.19 0.47 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 7 V 8.53 4.57 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 1.24 0.00 0.00 0.61 0.00 0.00 8 V 8.20 4.54 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 0.99 0.00 0.00 9 V 9.83 4.37 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 0.75 0.00 0.00 0.84 0.00 0.00 10 G 7.82 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 11 A 7.48 4.41 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 12 G 8.67 3.70 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 13 G 8.86 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 14 V 7.23 3.87 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 0.85 0.00 0.00 1.01 0.00 0.00 15 G 8.55 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 0.00 0.00 0.00 0.00 16 K 8.58 3.84 0.00 1.80 1.87 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.52 7.81 17 S 8.28 4.74 0.00 3.87 3.91 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 18 A 8.09 4.04 1.51 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 0.00 0.00 19 L 7.98 4.09 0.00 1.98 1.92 0.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.76 3.71 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 0.28 0.00 0.00 21 I 8.05 3.72 1.95 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 1.44 0.76 0.95 0.00 0.00 22 Q 8.01 4.15 0.00 2.36 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 23 L 7.56 3.91 0.00 1.21 1.33 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.41 4.03 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.80 1.01 0.00 0.00 25 Q 7.98 4.53 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.20 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 26 N 8.69 4.89 0.00 2.77 2.98 0.00 0.00 7.07 8.16 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 27 H 7.52 4.90 0.00 3.39 3.21 0.00 5.57 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.62 4.93 0.00 2.84 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 29 V 8.35 3.47 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 0.73 0.00 0.00 0.74 0.00 0.00 *39 S 9.05 4.58 0.00 3.92 3.70 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 40 Y 9.32 4.80 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 41 R 8.16 5.09 0.00 1.67 1.83 0.00 3.47 0.00 0.00 3.85 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.36 0.00 42 K 7.97 4.15 0.00 1.83 1.60 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.38 7.81 43 Q 8.94 4.62 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.51 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 44 V 8.53 4.56 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 0.63 0.00 0.00 1.04 0.00 0.00 45 V 8.29 4.72 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 0.86 0.00 0.00 0.91 0.00 0.00 46 I 8.11 4.13 1.76 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 0.30 0.51 0.61 0.00 0.00 47 D 9.71 4.24 0.00 2.79 2.73 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 48 G 8.27 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 0.00 0.00 0.00 0.00 49 E 7.76 3.85 0.00 2.01 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 2.36 2.32 0.00 50 T 8.17 4.98 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 1.18 0.00 0.00 51 C 8.80 4.94 0.00 2.84 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 52 L 8.64 4.93 0.00 1.73 1.51 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.89 4.73 0.00 1.88 1.64 1.13 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.24 5.11 0.00 2.73 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 55 I 8.81 4.77 1.92 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.53 0.98 0.00 0.00 56 L 8.66 4.89 0.00 1.81 1.59 0.86 0.76 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 57 D 8.72 4.83 0.00 2.81 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 58 T 8.20 4.55 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 59 A 8.29 4.65 1.26 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 0.00 0.00 0.00 60 G 8.64 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.41 4.39 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 *68 R 9.12 4.95 0.00 1.86 2.13 0.00 3.34 0.00 0.00 4.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 69 D 7.72 4.66 0.00 2.58 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 70 Q 6.92 4.20 0.00 1.77 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.99 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 71 Y 7.20 4.42 0.00 3.23 3.28 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 72 M 7.83 4.75 0.00 2.21 2.42 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.86 0.00 73 R 8.87 4.25 0.00 1.70 2.06 0.00 3.26 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 74 T 8.12 4.17 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 1.27 0.00 0.00 75 G 8.06 3.68 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 76 E 9.01 4.33 0.00 1.92 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 2.31 2.26 0.00 77 G 7.59 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 0.00 0.00 0.00 0.00 78 F 9.06 5.41 0.00 2.94 2.88 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 79 L 8.97 4.82 0.00 1.44 1.46 0.05 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.82 4.64 0.00 2.98 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 81 V 8.35 5.03 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 0.76 0.00 0.00 0.91 0.00 0.00 82 F 8.63 5.14 0.00 3.30 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 83 A 8.84 5.04 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 84 I 8.65 4.13 1.93 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 1.35 1.20 0.90 0.00 0.00 85 N 8.03 4.96 0.00 2.94 2.96 0.00 0.00 6.07 8.04 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 86 N 8.11 4.84 0.00 2.83 2.81 0.00 0.00 7.22 7.90 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 87 T 8.44 3.95 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 1.29 0.00 0.00 88 K 8.38 4.26 0.00 1.86 1.87 0.00 1.80 0.00 0.00 1.88 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.39 7.81 89 S 8.23 4.31 0.00 4.24 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 0.00 90 F 7.99 3.98 0.00 2.78 3.21 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 91 E 8.34 3.89 0.00 2.25 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 0.00 2.36 2.59 0.00 92 D 8.02 4.60 0.00 2.99 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 93 I 7.25 3.87 1.69 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 1.58 0.69 1.00 0.00 0.00 94 H 8.24 4.32 0.00 3.22 3.30 0.00 5.92 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.78 3.78 0.00 2.07 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 96 Y 7.58 4.04 0.00 3.11 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 97 R 8.37 3.70 0.00 1.51 2.04 0.00 2.74 0.00 0.00 2.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.43 0.00 98 E 8.00 3.81 0.00 2.05 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 2.18 2.25 0.00 99 Q 8.04 3.91 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 100 I 7.73 3.44 1.71 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.54 0.19 0.00 0.00 101 K 8.05 3.79 0.00 1.81 1.90 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.71 7.81 102 R 8.10 4.03 0.00 2.04 1.95 0.00 3.12 0.00 0.00 3.13 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 103 V 7.63 4.19 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 0.74 0.00 0.00 1.00 0.00 0.00 104 K 9.11 4.18 0.00 1.65 1.77 0.00 2.06 0.00 0.00 1.90 0.00 0.00 3.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.41 7.81 105 D 7.69 4.24 0.00 2.73 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 0.00 106 S 7.53 4.63 0.00 3.93 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 0.00 107 D 8.73 4.48 0.00 2.72 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 0.00 108 D 7.86 4.69 0.00 2.72 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 0.00 109 V 8.13 4.41 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 1.06 0.00 0.00 0.94 0.00 0.00 110 P 0.00 4.33 0.00 2.29 2.00 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 111 M 8.17 4.98 0.00 2.13 1.99 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 2.44 2.46 0.00 112 V 8.51 4.53 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 0.92 0.00 0.00 0.93 0.00 0.00 113 L 9.06 4.91 0.00 2.06 2.01 1.24 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 114 V 9.52 4.76 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 0.77 0.00 0.00 0.79 0.00 0.00 115 G 8.64 3.36 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 0.00 116 N 8.52 5.60 0.00 2.69 2.68 0.00 0.00 7.08 5.92 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 0.00 117 K 8.68 4.10 0.00 1.99 1.87 0.00 2.18 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.40 1.34 7.81 118 C 8.18 4.39 0.00 3.02 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 0.00 119 D 7.90 4.52 0.00 2.80 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 0.00 120 L 7.53 4.40 0.00 1.64 1.64 0.93 0.74 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 0.00 121 A 8.29 4.51 1.25 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 0.00 122 A 7.66 4.31 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 0.00 123 R 7.70 4.81 0.00 1.78 1.84 0.00 3.19 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 124 T 8.83 4.41 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 1.22 0.00 0.00 125 V 7.43 4.21 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 -0.09 0.00 0.00 0.82 0.00 0.00 126 E 8.97 4.18 0.00 2.01 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 2.41 2.36 0.00 127 S 8.61 4.21 0.00 3.93 4.06 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 0.00 0.00 0.00 128 R 8.05 4.04 0.00 1.89 1.90 0.00 3.22 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 129 Q 7.64 3.86 0.00 2.04 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 130 A 7.48 4.07 0.53 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 0.00 0.00 131 Q 8.31 3.85 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 132 D 7.74 4.33 0.00 2.83 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 0.00 133 L 7.62 3.60 0.00 1.56 1.71 0.32 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.09 4.23 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.06 3.86 0.00 1.92 2.00 0.00 3.18 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 136 S 7.94 4.22 0.00 3.89 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 0.00 137 Y 7.56 4.86 0.00 3.28 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 0.00 138 G 9.03 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 0.00 0.00 0.00 0.00 139 I 7.27 4.57 2.11 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 1.56 0.90 0.99 0.00 0.00 140 P 0.00 4.69 0.00 2.14 2.04 0.00 3.71 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 2.14 2.12 0.00 141 Y 8.54 5.42 0.00 2.96 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 0.00 142 I 8.17 4.34 1.68 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 1.11 0.45 0.74 0.00 0.00 143 E 8.34 4.90 0.00 1.67 1.72 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 1.94 2.01 0.00 144 T 8.65 4.76 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 1.12 0.00 0.00 145 S 8.76 4.59 0.00 3.76 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 0.00 146 A 8.52 4.08 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 0.00 147 K 7.23 2.69 0.00 0.79 1.28 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.09 0.83 7.81 148 T 7.65 4.11 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 1.10 0.00 0.00 149 R 7.78 3.66 0.00 1.91 1.94 0.00 3.08 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 150 Q 7.81 4.05 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.58 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 151 G 8.82 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 0.00 152 V 7.30 3.60 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 1.06 0.00 0.00 0.96 0.00 0.00 153 E 7.89 3.59 0.00 1.90 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.21 0.00 154 D 8.04 4.37 0.00 2.65 2.71 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 0.00 0.00 0.00 0.00 155 A 7.90 3.86 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 0.00 156 F 7.77 4.01 0.00 3.05 3.10 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 0.00 157 Y 8.43 4.59 0.00 3.04 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 0.00 158 T 8.42 3.96 4.38 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 1.22 0.00 0.00 159 L 7.66 3.90 0.00 1.57 1.87 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.55 3.40 2.26 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 0.73 0.00 0.00 1.01 0.00 0.00 161 R 8.03 3.94 0.00 2.02 1.97 0.00 3.20 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.01 0.00 162 E 8.30 4.07 0.00 2.17 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 2.46 2.50 0.00 163 I 7.65 3.88 1.60 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.11 0.85 0.00 0.00 164 R 7.25 4.24 0.00 2.00 2.00 0.00 3.16 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 165 Q 7.39 4.45 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.74 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 166 H 7.94 4.47 0.00 3.32 3.15 0.00 5.69 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.