NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5585 8.3601 120.5308 54.3903 41.5152 173.6550 3 A 4.6026 7.8443 128.6951 47.8559 21.7034 171.3896 4 P 3.9875 0.0000 0.0000 63.6525 31.2707 174.7282 5 R 3.5619 7.5773 123.3583 55.8004 26.4588 177.1495 6 L 4.2865 8.6229 121.7965 55.8355 42.0225 178.6661 7 T 4.2365 7.8506 108.6637 62.8865 69.5699 175.7874 8 G 3.7423 7.8172 107.5377 43.4718 0.0000 170.6585 9 A 3.4872 8.5833 125.0386 51.7731 17.4091 176.4708 10 D 4.1881 9.1894 123.3369 57.0365 42.1163 179.3877 11 R 3.5158 8.5760 121.1550 58.4576 25.7917 172.3919 12 P 3.8904 0.0000 0.0000 61.6316 33.3908 177.6135 13 M 3.2203 8.7960 119.2148 55.8021 30.1355 177.5185 14 S 4.0598 7.8133 113.7566 62.2471 62.4970 171.9514 15 E 4.4146 7.3681 117.6928 54.6492 30.6599 175.5589 16 V 4.3990 7.9160 126.6615 60.7449 34.4618 174.4146 17 A 4.2678 8.4747 128.4691 51.2424 19.5468 176.6172 18 A 4.5102 8.3157 125.5581 49.7477 19.9052 175.5279 19 P 4.4282 0.0000 0.0000 62.0357 32.0900 174.5563 20 P 4.4673 0.0000 0.0000 61.9428 32.1129 176.1195 21 L 3.8270 8.4262 119.3221 55.0974 42.0200 175.7283 22 P 4.5889 0.0000 0.0000 61.9837 32.6310 175.0881 23 E 4.6383 8.2868 118.3415 55.0084 31.6747 175.7309 24 T 4.2926 8.5328 119.0511 64.1810 69.6141 173.8562 25 I 4.2623 8.5903 125.9923 60.6834 37.3402 176.0466 26 T 4.2192 8.5423 123.8833 63.4921 69.3334 174.8177 27 D 4.4191 7.8856 121.9973 53.4826 39.0952 178.3273 28 D 4.8762 8.5844 127.8684 53.7748 39.9603 176.7405 29 R 4.4107 8.5700 119.7852 54.5449 30.9004 177.3326 30 R 4.0529 8.4813 122.3064 56.6235 30.8162 176.6543 31 V 3.8047 8.3509 119.8688 63.4221 32.4224 176.9431 32 G 3.8092 8.3846 107.3245 46.3765 0.0000 172.8318 33 R 4.5245 8.1240 123.5171 54.7299 32.7168 175.3522 34 N 4.8705 8.3750 114.5460 54.2393 40.0627 175.0039 35 Y 4.9531 6.9496 113.3351 54.0990 41.4347 173.2041 36 P 4.3974 0.0000 0.0000 63.4757 31.9623 176.0250 37 E 3.6737 8.7498 115.2553 57.4886 27.2880 174.5667 38 Q 4.1275 7.7105 120.2979 53.4891 28.8469 173.6053 39 P 4.2234 0.0000 0.0000 62.5127 31.3141 174.5258 40 P 4.2931 0.0000 0.0000 62.6537 31.9043 176.0331 41 V 4.0918 7.9120 120.1757 61.8040 32.4002 175.8689 42 I 3.9076 8.6150 127.1706 60.1851 36.6652 175.0896 43 P 4.5254 0.0000 0.0000 63.5968 31.7474 174.9125 44 H 5.0395 7.3066 113.9534 53.6926 31.3954 172.7112 45 S 4.4424 8.4164 113.2615 58.2420 63.4230 173.1710 46 I 3.8731 7.8328 121.7477 63.8217 40.2615 180.9983 47 E 3.1378 8.2895 113.4185 56.8518 29.9110 176.8879 48 G 3.7742 8.8499 121.4242 47.8821 0.0000 173.7249 49 Y 4.4970 8.2423 119.4796 58.3441 38.4003 175.3163 50 Q 4.7054 8.8472 125.0895 54.3297 31.9593 174.1033 51 L 5.0249 8.5837 125.1827 53.3347 44.1373 175.4325 52 S 4.8318 9.4135 119.1215 56.9692 66.0866 174.9339 53 V 3.8373 8.6426 118.8286 65.6269 31.2610 176.5423 54 N 4.7586 7.5838 115.4680 53.6496 39.7691 174.5844 55 A 4.6196 7.7817 119.2634 51.0029 22.3043 175.0181 56 N 4.8550 8.2164 117.9253 50.5643 40.1226 174.2738 57 R 3.8493 8.8166 126.4630 59.5875 30.0002 177.7001 58 C 4.0428 7.8824 115.6580 62.7734 28.0268 175.4823 59 L 4.3282 7.8720 117.3736 56.2866 41.1526 178.5779 60 E 4.1187 7.8458 119.2210 58.3936 29.5361 177.0864 61 C 4.4569 7.8862 114.4959 60.4377 30.2189 173.2952 62 H 4.8455 8.2807 117.7987 54.4252 27.8210 174.5764 63 R 4.7940 7.9976 119.1602 55.2150 33.3479 173.5914 64 R 4.6612 8.7798 119.6339 55.0803 33.0213 176.3255 65 Q 4.6128 8.3324 120.9865 53.8153 31.5805 171.1637 66 Y 4.4260 8.4774 116.5848 57.9403 38.0920 178.0494 67 S 3.7532 10.2305 118.0462 60.0834 62.5422 173.5063 68 G 4.0244 8.5366 114.8652 46.5049 0.0000 174.5748 69 L 4.3412 8.0236 119.0594 53.8765 42.6536 176.1850 70 V 4.2141 8.1256 119.2063 61.1027 33.2679 174.5062 71 A 4.6717 8.1274 128.1565 49.8542 22.4442 174.7157 72 A 4.1468 8.3237 122.8424 50.9831 19.0010 176.1651 73 P 4.3426 0.0000 0.0000 63.2328 31.8445 176.1752 74 M 4.7249 8.2174 119.2962 54.9467 33.5079 175.6263 75 I 4.6016 7.2463 111.1385 59.0781 40.7352 174.6618 76 S 4.3338 8.2979 116.9123 57.9932 64.0072 175.1209 77 I 3.1287 8.0594 122.8187 62.9145 36.6984 178.0582 78 T 4.1277 7.7661 111.0023 64.0227 68.8970 175.0975 79 H 4.7358 8.5546 118.7013 56.7315 29.0297 176.1104 80 F 4.7211 8.4422 119.9698 57.1492 39.5855 175.5321 81 Q 5.3832 7.6312 116.5511 54.8363 29.5646 175.4190 82 D 4.7807 8.3073 121.2213 51.2124 41.5310 175.4743 83 R 3.9944 8.2177 119.1193 58.6231 30.0781 176.1476 84 E 4.0143 8.8539 122.8878 55.3288 26.9716 176.1238 85 G 3.9760 8.4972 106.1610 45.6925 0.0000 174.3614 86 Q 4.1118 7.7937 119.0730 56.4252 30.1116 175.4660 87 M 4.7936 8.4555 122.7187 53.9624 32.9793 175.5793 88 L 4.3101 8.6507 126.7606 54.0046 43.5294 177.1410 89 A 4.3275 8.2385 120.5934 51.5602 18.4820 176.8130 90 D 3.3768 6.8703 119.1495 54.6015 44.8099 176.3624 91 V 3.5147 7.3415 121.5554 63.4819 31.6398 175.9837 92 S 4.5174 8.4872 121.6094 56.8538 64.2770 172.6076 93 P 4.3602 0.0000 0.0000 65.3905 31.3622 177.1922 94 R 4.4235 7.1683 114.5178 57.2572 30.0272 176.7858 95 R 4.2845 8.9210 119.3477 56.3792 28.3496 176.7209 96 Y 4.0604 7.7838 118.3309 60.5405 38.9202 176.8641 97 F 4.1733 8.2206 123.2974 56.6196 38.4348 176.1000 98 C 4.2910 8.5939 124.8714 62.9039 28.1906 176.5525 99 T 4.1926 8.1683 107.6327 63.9517 68.2447 174.5906 100 A 4.2044 7.6615 123.5412 54.4018 18.7276 177.9285 101 C 4.5829 8.5869 112.3145 60.7563 30.2740 174.1488 102 H 4.7716 8.0147 116.4628 54.5175 29.5139 174.3918 103 V 4.5943 8.1620 124.0076 60.4257 34.6942 173.3913 104 P 5.0631 0.0000 0.0000 61.6617 33.4301 174.5523 105 Q 4.7609 8.3727 116.6138 54.6142 33.4292 174.3555 106 T 4.8638 8.3288 110.6920 59.7872 72.2943 173.4836 107 N 4.7393 8.5932 120.7049 52.5810 38.3028 173.6903 108 A 4.6170 8.0887 127.1886 50.1765 22.2992 175.3610 109 Q 4.2908 8.7911 122.1508 54.0831 29.5175 174.3333 110 P 4.2887 0.0000 0.0000 62.9954 31.7704 177.3352 111 L 4.0482 8.4837 122.0183 56.5949 41.9672 177.2717 112 V 4.3889 6.9528 116.5310 61.6358 34.7950 173.1360 113 T 4.0634 8.4446 116.9974 61.4848 69.4678 173.1695 114 N 4.9070 8.5243 122.0490 52.1719 40.1128 174.0839 115 E 4.4567 8.6328 127.1457 56.7575 30.3286 176.6176 116 F 4.4950 8.2579 121.6359 58.5207 40.5427 174.1269 117 R 4.7890 7.7165 123.9546 54.1544 32.5295 175.4331 118 D 4.3177 8.3488 121.5633 54.2945 42.1150 177.1196 119 M 3.9933 8.9066 124.5709 58.2485 32.2141 176.8959 120 L 4.3688 7.6382 117.2569 54.6566 43.2595 176.5533 121 T 3.2727 8.3654 112.4525 61.7769 66.6860 171.7160 122 L 4.4585 7.5739 127.9241 54.7928 42.5779 177.3128 123 M 4.4794 10.6600 118.5615 53.3215 34.6861 174.1016 124 P 4.6994 0.0000 0.0000 63.0114 31.9408 175.9708 125 A 4.2464 8.4296 126.7690 52.6628 19.1174 177.2810 126 S 4.5155 8.4810 115.0349 57.2991 65.8643 172.8546 127 N 4.5133 9.0780 124.3924 55.3071 39.8635 175.3988 *128 E 4.1515 7.9943 116.5474 56.0899 30.5139 177.2812 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 D 8.36 4.56 0.00 2.68 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 3 A 7.84 4.60 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 4 P 0.00 3.99 0.00 2.23 2.26 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 5 R 7.58 3.56 0.00 1.90 2.02 0.00 3.31 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 6 L 8.62 4.29 0.00 1.63 1.74 0.92 1.07 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 7 T 7.85 4.24 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 8 G 7.82 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 9 A 8.58 3.49 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 10 D 9.19 4.19 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.58 3.52 0.00 1.93 2.00 0.00 3.35 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.21 0.00 12 P 0.00 3.89 0.00 2.23 2.14 0.00 3.79 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 13 M 8.80 3.22 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 14 S 7.81 4.06 0.00 3.99 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 15 E 7.37 4.41 0.00 2.06 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 0.00 2.08 2.04 0.00 16 V 7.92 4.40 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 0.88 0.00 0.00 0.93 0.00 0.00 17 A 8.47 4.27 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 18 A 8.32 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 19 P 0.00 4.43 0.00 2.05 2.01 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 20 P 0.00 4.47 0.00 2.17 2.04 0.00 3.81 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 1.98 1.98 0.00 21 L 8.43 3.83 0.00 1.64 1.69 0.92 1.04 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 22 P 0.00 4.59 0.00 2.03 2.10 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 23 E 8.29 4.64 0.00 2.02 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 0.00 2.28 2.32 0.00 24 T 8.53 4.29 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 1.25 0.00 0.00 25 I 8.59 4.26 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 1.22 0.67 0.91 0.00 0.00 26 T 8.54 4.22 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 27 D 7.89 4.42 0.00 2.82 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.58 4.88 0.00 2.70 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 29 R 8.57 4.41 0.00 1.88 1.87 0.00 3.17 0.00 0.00 3.51 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 30 R 8.48 4.05 0.00 1.79 1.86 0.00 3.19 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 31 V 8.35 3.80 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 0.78 0.00 0.00 0.97 0.00 0.00 32 G 8.38 3.81 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 0.00 0.00 0.00 33 R 8.12 4.52 0.00 1.64 1.67 0.00 3.19 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 34 N 8.38 4.87 0.00 3.00 3.15 0.00 0.00 6.59 7.46 0.00 0.00 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 Y 6.95 4.95 0.00 3.02 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 36 P 0.00 4.40 0.00 2.27 2.11 0.00 3.93 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 37 E 8.75 3.67 0.00 2.20 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 0.00 2.28 2.33 0.00 38 Q 7.71 4.13 0.00 0.93 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.77 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 39 P 0.00 4.22 0.00 2.31 2.04 0.00 3.80 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 1.96 1.99 0.00 40 P 0.00 4.29 0.00 1.99 2.01 0.00 3.86 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 2.03 2.08 0.00 41 V 7.91 4.09 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 0.83 0.00 0.00 0.91 0.00 0.00 42 I 8.61 3.91 1.82 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 1.28 0.95 0.76 0.00 0.00 43 P 0.00 4.53 0.00 2.17 2.20 0.00 3.49 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 44 H 7.31 5.04 0.00 3.19 3.62 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 45 S 8.42 4.44 0.00 3.78 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.83 3.87 1.81 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 1.47 0.56 0.92 0.00 0.00 47 E 8.29 3.14 0.00 1.83 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 2.17 2.18 0.00 48 G 8.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.24 4.50 0.00 2.84 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.85 4.71 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 51 L 8.58 5.02 0.00 1.61 1.35 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.41 4.83 0.00 4.01 4.05 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 53 V 8.64 3.84 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 0.84 0.00 0.00 1.01 0.00 0.00 54 N 7.58 4.76 0.00 2.91 2.87 0.00 0.00 6.74 7.23 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 55 A 7.78 4.62 1.22 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 0.00 0.00 56 N 8.22 4.86 0.00 2.02 2.47 0.00 0.00 6.94 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.82 3.85 0.00 1.81 1.71 0.00 3.10 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.89 0.00 58 C 7.88 4.04 0.00 2.95 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 59 L 7.87 4.33 0.00 1.67 1.69 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.85 4.12 0.00 2.01 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 2.27 2.34 0.00 61 C 7.89 4.46 0.00 2.80 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.28 4.85 0.00 3.10 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.00 4.79 0.00 1.89 2.03 0.00 3.05 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 64 R 8.78 4.66 0.00 1.90 1.53 0.00 2.95 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 65 Q 8.33 4.61 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.21 1.93 0.00 66 Y 8.48 4.43 0.00 3.09 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 10.23 3.75 0.00 4.10 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 68 G 8.54 4.02 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 0.00 0.00 0.00 69 L 8.02 4.34 0.00 1.59 1.59 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.13 4.21 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 0.79 0.00 0.00 0.92 0.00 0.00 71 A 8.13 4.67 1.14 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 0.00 0.00 0.00 72 A 8.32 4.15 1.22 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 0.00 0.00 73 P 0.00 4.34 0.00 2.14 2.00 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 1.95 1.94 0.00 74 M 8.22 4.72 0.00 1.93 2.34 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.72 0.00 75 I 7.25 4.60 1.89 0.00 0.00 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 1.73 0.54 0.85 0.00 0.00 76 S 8.30 4.33 0.00 4.03 4.01 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 77 I 8.06 3.13 1.65 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.34 0.79 0.00 0.00 78 T 7.77 4.13 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 1.23 0.00 0.00 79 H 8.55 4.74 0.00 3.61 3.58 0.00 5.79 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.44 4.72 0.00 3.17 3.24 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 81 Q 7.63 5.38 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 82 D 8.31 4.78 0.00 2.83 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 83 R 8.22 3.99 0.00 1.80 1.91 0.00 3.24 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 1.70 0.00 84 E 8.85 4.01 0.00 2.10 2.33 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 2.17 2.33 0.00 85 G 8.50 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 86 Q 7.79 4.11 0.00 2.37 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 87 M 8.46 4.79 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.72 0.00 88 L 8.65 4.31 0.00 1.85 1.53 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.24 4.33 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 90 D 6.87 3.38 0.00 2.44 2.33 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 91 V 7.34 3.51 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 0.98 0.00 0.00 1.03 0.00 0.00 92 S 8.49 4.52 0.00 4.03 4.02 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 93 P 0.00 4.36 0.00 2.17 2.05 0.00 3.58 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 2.01 0.00 94 R 7.17 4.42 0.00 2.04 1.96 0.00 3.07 0.00 0.00 3.42 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 95 R 8.92 4.28 0.00 2.20 2.51 0.00 3.20 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 96 Y 7.78 4.06 0.00 2.94 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 97 F 8.22 4.17 0.00 3.30 3.08 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 0.00 98 C 8.59 4.29 0.00 3.02 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 99 T 8.17 4.19 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 1.27 0.00 0.00 100 A 7.66 4.20 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 0.00 101 C 8.59 4.58 0.00 2.76 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 0.00 102 H 8.01 4.77 0.00 3.16 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.16 4.59 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 1.04 0.00 0.00 0.94 0.00 0.00 104 P 0.00 5.06 0.00 2.09 2.05 0.00 3.38 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.83 0.00 105 Q 8.37 4.76 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 106 T 8.33 4.86 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 1.20 0.00 0.00 107 N 8.59 4.74 0.00 2.76 2.80 0.00 0.00 6.91 7.97 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 0.00 108 A 8.09 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.79 4.29 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 110 P 0.00 4.29 0.00 2.18 2.00 0.00 3.60 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 111 L 8.48 4.05 0.00 1.64 1.73 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 112 V 6.95 4.39 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 0.70 0.00 0.00 0.94 0.00 0.00 113 T 8.44 4.06 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 1.22 0.00 0.00 114 N 8.52 4.91 0.00 2.72 2.82 0.00 0.00 7.06 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.63 4.46 0.00 2.03 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 2.32 0.00 116 F 8.26 4.50 0.00 3.20 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 0.00 117 R 7.72 4.79 0.00 1.48 1.52 0.00 3.54 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 118 D 8.35 4.32 0.00 2.74 2.44 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 0.00 119 M 8.91 3.99 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.68 0.00 120 L 7.64 4.37 0.00 1.59 1.59 0.94 1.36 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 0.00 121 T 8.37 3.27 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 1.20 0.00 0.00 122 L 7.57 4.46 0.00 1.61 1.68 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 123 M 10.66 4.48 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 124 P 0.00 4.70 0.00 1.97 2.01 0.00 3.73 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 2.02 2.10 0.00 125 A 8.43 4.25 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 0.00 126 S 8.48 4.52 0.00 3.94 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 0.00 127 N 9.08 4.51 0.00 2.73 3.07 0.00 0.00 6.99 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 *128 E 7.99 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.