NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4721 8.3027 121.4895 56.3917 31.7692 177.6304 4 N 4.2597 8.1869 116.6229 55.7842 38.8683 174.9515 5 L 4.0661 8.1869 121.6832 57.9307 42.4830 177.5617 6 Y 3.9730 8.0918 118.3808 60.8076 38.9020 177.7412 7 F 3.9584 8.4081 117.2491 60.4168 39.2425 176.9630 8 Q 4.4233 8.3413 119.4415 59.1849 28.7554 179.4284 9 G 3.6711 8.2516 103.2918 45.7957 0.0000 175.1133 *11 S 4.4033 8.0118 118.7821 58.3556 65.0569 175.8777 12 D 4.3615 8.3561 120.3408 57.4553 40.4145 179.2074 13 V 3.5321 7.7577 118.5313 65.9015 31.5456 178.0357 14 I 3.7987 7.6216 118.9722 64.7209 37.1112 178.2052 15 E 4.1272 8.4015 119.3376 59.2264 29.2078 179.8136 16 G 3.6005 8.4006 106.2914 47.8421 0.0000 176.0777 17 R 3.9728 8.4180 120.9812 58.7652 30.0800 178.9897 18 L 4.0313 7.9519 120.2781 58.0765 42.1543 179.0369 19 K 4.2792 8.0795 119.7913 59.1018 31.7781 179.1325 20 E 4.0352 8.1870 117.6548 59.1153 29.4252 178.7723 21 L 4.3386 7.5475 116.9594 55.1195 41.9664 177.6173 22 G 3.8954 7.7642 106.7140 44.9240 0.0000 173.4096 23 F 4.9294 8.3782 118.4946 55.6981 41.5759 174.5234 24 T 4.6146 8.2973 120.9474 61.5656 70.0949 174.7453 25 L 4.0867 8.3600 125.8193 54.1398 42.1318 175.6100 26 P 4.7403 0.0000 0.0000 61.7211 33.5339 180.0606 27 V 3.8590 7.6839 118.6570 61.4637 30.4597 178.8435 *33 A 4.0426 8.4573 123.1105 51.6924 18.9254 176.4589 34 N 4.5861 8.6468 114.8826 54.8497 38.9106 175.1791 35 Y 4.9188 7.6615 115.6225 54.9492 39.3898 175.1921 36 V 4.3670 7.9027 113.8389 58.5842 35.0071 175.0155 37 P 4.6935 0.0000 0.0000 65.6477 32.0864 175.6183 38 F 5.5054 6.7935 111.4131 56.2591 40.9133 173.4903 39 T 4.9574 9.2083 109.4398 60.1489 72.5736 172.5043 40 I 5.1413 8.4983 122.4979 59.6858 40.4366 175.1403 41 S 4.5382 9.0803 120.9782 57.1285 65.4446 174.0848 42 G 3.8069 8.4439 118.6370 47.2296 0.0000 173.1624 43 N 4.8942 8.8808 121.4796 52.0195 37.4954 172.9844 44 L 5.1228 8.0783 119.4234 53.4678 44.4225 174.9995 45 L 5.0835 9.0880 126.2839 53.6713 44.4027 174.4482 46 Y 4.8340 9.3158 125.2561 56.6545 39.6481 174.7383 47 V 4.8743 8.6604 125.6211 61.0602 33.5847 175.6694 48 S 4.4094 9.2574 124.4133 58.2436 63.7587 174.4598 49 G 3.9632 8.7598 109.0393 46.6581 0.0000 172.6880 50 Q 4.9231 9.3448 124.4106 54.2818 31.5531 175.2087 51 L 5.0612 8.3990 122.3682 52.3867 44.7370 174.0145 52 P 4.4123 0.0000 0.0000 62.3660 33.1255 175.0692 *54 E 4.2450 8.6141 122.6798 57.2854 30.4373 175.6011 55 S 3.4476 9.6953 121.9686 59.7968 60.4680 173.3186 56 G 3.9341 8.5361 105.3092 45.6483 0.0000 174.0230 57 K 4.5711 7.6751 117.5263 53.8584 35.6479 176.2335 58 I 3.9208 8.1792 121.7258 61.3852 36.8271 176.3316 59 A 4.1431 8.9913 130.2962 53.8330 18.8829 177.4728 60 V 4.3486 7.6447 115.4496 61.4365 33.8513 174.0883 61 T 4.9290 8.6657 116.5055 60.3834 71.5157 173.5613 62 G 3.8599 8.8932 108.7560 44.6066 0.0000 172.3225 63 L 4.4549 8.7616 118.7547 53.4887 42.6162 177.2231 64 V 3.6666 8.4989 124.6320 64.0936 31.7272 176.8288 65 G 4.0291 9.1638 115.8448 45.4815 0.0000 172.9852 66 R 4.4112 7.3732 116.8173 57.5168 32.0531 175.5686 67 D 4.6497 8.4139 116.5611 55.4104 41.8427 177.4321 68 V 4.4446 7.2436 110.6591 58.7217 35.7466 174.5495 69 D 5.0322 8.1327 122.5449 51.8828 42.7917 177.6344 70 V 3.5720 8.1599 117.4083 66.0842 31.5698 177.4435 71 A 4.2668 7.8858 121.2703 54.8986 18.2964 179.6643 72 S 4.0969 8.7399 113.6849 61.6871 62.7898 176.8571 73 A 4.0207 8.1558 123.5105 55.1063 17.7630 179.6581 74 Q 4.1233 8.6633 117.1601 59.1580 28.7065 179.0238 75 R 4.3247 8.2676 120.4387 58.7821 30.0600 178.3114 76 A 3.9830 8.1340 120.4253 55.2197 18.3792 179.4910 77 A 3.9301 8.2306 119.4134 55.2193 18.1508 179.5492 78 E 3.7431 8.4990 117.5024 59.6206 29.5782 179.7095 79 L 3.8637 8.0138 118.8189 57.9107 41.6502 179.1500 80 C 4.1658 8.4186 116.8593 63.0779 28.0415 176.2585 81 A 3.9103 7.9445 122.0887 55.0037 17.8923 179.8747 82 V 3.4060 7.7528 116.9377 66.1513 31.5277 178.1037 83 N 4.3832 8.2725 116.3402 56.0168 38.2605 177.4991 84 I 3.6782 7.8982 121.4249 64.5020 37.1736 178.4401 85 L 3.9087 8.0943 119.6010 57.6401 41.3892 179.4670 86 A 3.9841 8.1594 120.8057 55.2843 18.2840 179.7695 87 Q 4.0138 8.1112 116.5946 59.0330 28.7955 179.0417 88 V 3.3465 7.9302 119.5094 65.6704 31.4595 177.9478 89 K 3.8123 8.3208 119.4711 59.3721 32.1827 178.4319 90 A 3.9527 7.9478 120.7269 55.3388 18.1168 179.2293 91 A 3.5120 7.4426 118.0344 54.5665 18.3378 178.9092 92 L 4.4720 7.5540 115.4514 53.6228 42.3203 176.4641 93 N 4.3735 9.1536 113.9726 54.5581 36.5637 175.4279 94 G 3.9501 8.6980 105.6397 45.2131 0.0000 174.2867 95 D 5.1312 7.6862 119.2486 51.2553 41.2051 176.7061 96 L 4.2004 8.2540 124.6801 56.4417 41.8839 179.4027 97 S 4.2829 7.9590 112.3673 59.9504 63.4902 174.8727 98 K 4.4949 8.1487 120.3321 56.6737 32.0751 176.4221 99 I 3.9199 7.3812 121.9699 61.5467 37.3364 176.0197 100 R 4.3143 8.9855 125.6123 58.5361 31.2057 177.4070 101 R 4.5524 7.3816 115.1422 55.2565 33.7291 173.9456 102 V 4.0358 8.5710 127.3510 63.0218 31.9434 176.5091 103 I 3.9114 8.7345 130.4312 63.9077 38.4091 176.4566 104 K 5.0221 7.7097 121.5489 55.1551 35.8113 174.3165 105 L 5.0625 8.8732 126.9372 52.9777 45.1339 175.0544 106 N 4.8082 8.7693 120.9040 51.5218 40.8444 174.0139 107 G 3.9657 8.8755 112.8893 44.5074 0.0000 171.8521 108 F 5.4340 8.9376 126.2529 55.8169 41.1796 175.1335 109 V 4.7992 8.8612 124.7569 60.5988 34.0054 174.5298 110 A 4.4320 9.1036 131.3074 52.4444 19.0888 176.3017 111 S 5.1415 8.5183 117.8813 56.8844 67.1649 174.7048 112 V 4.0450 8.3922 116.2282 60.4899 32.3445 175.9202 113 P 4.3940 0.0000 0.0000 65.0246 31.3423 177.4521 114 E 4.2159 8.0936 116.0525 57.0214 29.9721 176.0017 115 F 4.5833 8.0453 122.4756 57.6487 39.7184 175.4546 116 V 4.5403 7.2170 120.9140 60.1716 33.1541 175.3751 117 E 4.5899 5.9000 117.4091 55.6866 29.9336 178.6078 118 Q 4.2948 8.0186 120.2621 59.1863 28.8647 177.7019 119 H 4.2435 8.3368 116.0199 58.8052 28.2990 177.5898 120 L 3.9474 7.3574 120.2573 57.1500 41.7840 179.0984 121 V 3.7883 7.8158 118.2129 66.3388 31.5051 178.3098 122 I 3.8556 7.9231 118.9709 63.9067 36.8586 177.8706 123 N 4.3574 8.3361 118.0146 56.2142 38.1290 177.1494 124 G 3.7380 8.1318 106.9248 47.8914 0.0000 175.5722 125 A 3.9169 7.8436 122.8703 54.9116 18.5453 179.6848 126 S 4.1432 8.2352 113.8627 61.8897 62.8191 176.8458 127 N 4.3279 8.6399 119.5469 56.0582 38.3148 177.1697 128 L 3.9263 7.6385 121.7493 58.3175 42.1977 179.1528 129 I 3.6568 7.9240 119.5230 64.3992 37.0512 178.4019 130 A 4.0494 8.2525 121.7083 55.2513 17.9246 179.8954 131 T 3.8026 7.9963 113.8959 67.0235 68.6739 177.0830 132 V 3.8235 7.7632 112.6630 63.3439 31.7432 177.7111 133 L 4.4444 7.9131 116.8388 55.3409 43.0666 178.7959 134 G 3.7880 8.3912 107.6630 45.2648 0.0000 174.3721 135 E 3.8893 8.9863 118.9885 59.0445 29.7897 178.2552 136 P 4.2696 0.0000 0.0000 65.2571 31.4670 178.2530 137 G 3.6935 7.9564 105.8389 47.0317 0.0000 174.1500 138 R 4.1313 7.9155 120.6001 56.2257 30.5982 175.5353 139 H 5.3737 8.2241 116.4772 52.5247 32.0379 172.9170 140 A 4.3186 8.5892 121.8657 52.5839 19.6702 176.2810 141 R 5.6404 8.3496 116.7060 56.2289 33.2638 173.8135 142 A 4.9065 8.5185 124.8795 50.0000 22.6552 174.8499 143 A 5.0869 8.5458 121.7667 50.3784 21.5956 175.8443 144 V 4.5604 8.9388 115.1059 59.9435 36.5401 175.3685 145 G 4.4787 8.6788 109.4406 44.4883 0.0000 173.4790 *147 A 4.4701 8.4920 122.2772 51.6494 20.2471 176.7064 148 S 4.5955 7.2732 106.3570 58.3328 65.1537 174.9250 149 L 4.7837 7.5621 118.7502 51.9915 45.6987 174.2733 150 P 4.1793 0.0000 0.0000 64.6174 31.6414 176.7867 151 F 3.4823 8.7621 118.3421 57.9712 36.6238 174.7554 152 N 4.1903 8.3311 116.6722 54.1447 37.7227 173.6220 153 A 4.4614 7.8479 118.3727 52.6390 18.9383 179.0907 154 S 4.5367 8.7152 117.5603 60.3766 64.0742 174.5468 155 V 5.0533 7.5830 117.4149 61.3034 34.3024 173.8270 156 E 5.0674 9.4797 126.7731 54.6812 33.4493 174.0907 157 I 5.0289 8.9051 126.6250 59.5818 41.4923 174.4002 158 D 5.3677 8.5240 125.0602 51.9395 42.9033 174.4660 159 A 5.0528 8.3339 118.4244 50.8670 23.2952 175.2910 160 I 4.6118 8.5948 120.3404 59.3298 40.8053 174.9590 161 V 4.7276 8.7812 126.5631 60.9152 34.9845 173.7814 162 E 4.8499 9.3604 129.8459 55.5499 30.9440 176.2334 163 I 4.7342 8.5686 120.1009 60.0413 37.3904 175.2223 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 E 8.30 4.47 0.00 2.08 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 0.00 2.55 2.44 0.00 4 N 8.19 4.26 0.00 2.99 2.85 0.00 0.00 6.77 5.78 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 5 L 8.19 4.07 0.00 1.86 1.72 0.95 0.87 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 6 Y 8.09 3.97 0.00 3.01 3.27 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 7 F 8.41 3.96 0.00 3.13 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 8 Q 8.34 4.42 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.04 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 9 G 8.25 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 0.00 0.00 0.00 *11 S 8.01 4.40 0.00 4.07 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 12 D 8.36 4.36 0.00 2.82 2.70 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 13 V 7.76 3.53 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 1.05 0.00 0.00 0.88 0.00 0.00 14 I 7.62 3.80 1.98 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 1.78 0.57 0.89 0.00 0.00 15 E 8.40 4.13 0.00 2.01 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 2.32 2.47 0.00 16 G 8.40 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.42 3.97 0.00 2.01 2.00 0.00 3.26 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 18 L 7.95 4.03 0.00 1.80 1.89 0.91 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.08 4.28 0.00 2.04 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.57 7.81 20 E 8.19 4.04 0.00 2.15 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 0.00 2.35 2.53 0.00 21 L 7.55 4.34 0.00 2.02 1.96 0.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.76 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 0.00 0.00 0.00 0.00 23 F 8.38 4.93 0.00 3.06 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 24 T 8.30 4.61 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 25 L 8.36 4.09 0.00 1.64 1.62 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.74 0.00 2.19 2.08 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 27 V 7.68 3.86 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 0.73 0.00 0.00 0.94 0.00 0.00 *33 A 8.46 4.04 0.94 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 34 N 8.65 4.59 0.00 2.83 2.94 0.00 0.00 6.65 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 7.66 4.92 0.00 3.07 2.86 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 0.00 0.00 0.00 36 V 7.90 4.37 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 0.76 0.00 0.00 0.91 0.00 0.00 37 P 0.00 4.69 0.00 2.42 2.35 0.00 3.45 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 1.71 1.89 0.00 38 F 6.79 5.51 0.00 3.08 3.06 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 39 T 9.21 4.96 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 1.22 0.00 0.00 40 I 8.50 5.14 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.88 1.05 0.00 0.00 41 S 9.08 4.54 0.00 3.79 3.76 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 42 G 8.44 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 43 N 8.88 4.89 0.00 3.14 3.03 0.00 0.00 5.82 6.67 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 44 L 8.08 5.12 0.00 1.91 1.64 1.00 0.29 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 45 L 9.09 5.08 0.00 1.69 1.66 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 9.32 4.83 0.00 3.00 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 47 V 8.66 4.87 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 1.05 0.00 0.00 0.95 0.00 0.00 48 S 9.26 4.41 0.00 3.98 3.95 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 49 G 8.76 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 50 Q 9.34 4.92 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.59 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 51 L 8.40 5.06 0.00 1.53 1.64 1.16 1.16 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 52 P 0.00 4.41 0.00 2.13 2.39 0.00 3.76 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 *54 E 8.61 4.25 0.00 2.10 1.94 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 2.31 2.42 0.00 55 S 9.70 3.45 0.00 4.04 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 56 G 8.54 3.93 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 0.00 0.00 0.00 57 K 7.68 4.57 0.00 1.71 1.66 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.50 7.81 58 I 8.18 3.92 1.89 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 1.25 0.76 0.95 0.00 0.00 59 A 8.99 4.14 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 60 V 7.64 4.35 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 1.10 0.00 0.00 0.95 0.00 0.00 61 T 8.67 4.93 4.34 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 1.31 0.00 0.00 62 G 8.89 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.76 4.45 0.00 1.68 1.57 0.92 1.28 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 64 V 8.50 3.67 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 -0.07 0.00 0.00 0.80 0.00 0.00 65 G 9.16 4.03 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 0.00 0.00 0.00 66 R 7.37 4.41 0.00 1.71 1.84 0.00 3.23 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 67 D 8.41 4.65 0.00 2.73 2.68 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 68 V 7.24 4.44 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 0.82 0.00 0.00 0.83 0.00 0.00 69 D 8.13 5.03 0.00 2.94 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 70 V 8.16 3.57 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 1.01 0.00 0.00 1.18 0.00 0.00 71 A 7.89 4.27 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 72 S 8.74 4.10 0.00 3.84 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 73 A 8.16 4.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.66 4.12 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 75 R 8.27 4.32 0.00 2.02 2.19 0.00 3.38 0.00 0.00 3.48 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 76 A 8.13 3.98 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 77 A 8.23 3.93 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 78 E 8.50 3.74 0.00 2.18 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 79 L 8.01 3.86 0.00 1.85 1.72 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.42 4.17 0.00 3.08 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 81 A 7.94 3.91 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 82 V 7.75 3.41 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 1.00 0.00 0.00 0.44 0.00 0.00 83 N 8.27 4.38 0.00 3.07 3.04 0.00 0.00 7.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.90 3.68 1.98 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 1.52 0.79 0.87 0.00 0.00 85 L 8.09 3.91 0.00 1.79 1.68 0.86 0.85 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 86 A 8.16 3.98 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 87 Q 8.11 4.01 0.00 2.27 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 88 V 7.93 3.35 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 0.91 0.00 0.00 0.92 0.00 0.00 89 K 8.32 3.81 0.00 1.88 1.92 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.44 7.81 90 A 7.95 3.95 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 91 A 7.44 3.51 0.59 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 0.00 0.00 92 L 7.55 4.47 0.00 1.65 1.67 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 93 N 9.15 4.37 0.00 2.86 2.87 0.00 0.00 7.14 6.99 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 94 G 8.70 3.95 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 0.00 0.00 0.00 95 D 7.69 5.13 0.00 2.81 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 96 L 8.25 4.20 0.00 1.69 1.69 0.90 0.99 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 97 S 7.96 4.28 0.00 3.85 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 98 K 8.15 4.49 0.00 2.02 1.89 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.40 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.58 7.81 99 I 7.38 3.92 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 0.91 0.00 0.00 100 R 8.99 4.31 0.00 1.79 2.00 0.00 3.25 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 101 R 7.38 4.55 0.00 1.87 1.70 0.00 3.27 0.00 0.00 3.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 102 V 8.57 4.04 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 0.79 0.00 0.00 0.89 0.00 0.00 103 I 8.73 3.91 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.60 0.87 0.00 0.00 104 K 7.71 5.02 0.00 1.79 1.51 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.48 7.81 105 L 8.87 5.06 0.00 1.53 1.39 0.68 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.77 4.81 0.00 2.61 2.20 0.00 0.00 6.52 7.56 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 0.00 107 G 8.88 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 0.00 108 F 8.94 5.43 0.00 3.09 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 0.00 109 V 8.86 4.80 2.32 0.00 0.00 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 1.02 0.00 0.00 110 A 9.10 4.43 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 0.00 111 S 8.52 5.14 0.00 3.83 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 0.00 112 V 8.39 4.05 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 0.76 0.00 0.00 1.03 0.00 0.00 113 P 0.00 4.39 0.00 2.06 2.14 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 114 E 8.09 4.22 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 115 F 8.05 4.58 0.00 3.06 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 0.00 116 V 7.22 4.54 1.95 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 0.92 0.00 0.00 0.80 0.00 0.00 117 E 5.90 4.59 0.00 1.65 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 2.17 2.01 0.00 118 Q 8.02 4.29 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.90 0.00 0.00 0.00 0.00 0.00 2.66 2.77 0.00 119 H 8.34 4.24 0.00 3.35 3.53 0.00 5.46 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 0.00 120 L 7.36 3.95 0.00 1.75 1.76 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.82 3.79 2.35 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 1.08 0.00 0.00 1.13 0.00 0.00 122 I 7.92 3.86 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.71 0.88 0.00 0.00 123 N 8.34 4.36 0.00 2.97 2.90 0.00 0.00 6.70 7.09 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 0.00 124 G 8.13 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 0.00 125 A 7.84 3.92 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 0.00 126 S 8.24 4.14 0.00 3.90 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 0.00 127 N 8.64 4.33 0.00 2.75 2.87 0.00 0.00 6.67 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.64 3.93 0.00 1.70 1.81 0.55 1.06 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 0.00 129 I 7.92 3.66 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.56 0.89 0.00 0.00 130 A 8.25 4.05 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 0.00 131 T 8.00 3.80 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 132 V 7.76 3.82 2.22 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 0.81 0.00 0.00 0.99 0.00 0.00 133 L 7.91 4.44 0.00 1.75 1.69 0.89 0.94 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 0.00 134 G 8.39 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 0.00 0.00 0.00 135 E 8.99 3.89 0.00 2.05 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 2.38 2.42 0.00 136 P 0.00 4.27 0.00 2.21 2.32 0.00 3.74 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 2.10 2.09 0.00 137 G 7.96 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 0.00 0.00 0.00 138 R 7.92 4.13 0.00 1.89 1.83 0.00 3.10 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 139 H 8.22 5.37 0.00 3.06 3.30 0.00 5.14 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.59 4.32 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 0.00 141 R 8.35 5.64 0.00 1.81 1.75 0.00 3.02 0.00 0.00 3.93 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 142 A 8.52 4.91 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 0.00 143 A 8.55 5.09 1.21 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 0.00 144 V 8.94 4.56 2.19 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 0.80 0.00 0.00 1.19 0.00 0.00 145 G 8.68 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 0.00 0.00 0.00 0.00 *147 A 8.49 4.47 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 S 7.27 4.60 0.00 3.91 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 0.00 149 L 7.56 4.78 0.00 1.88 1.57 1.08 1.01 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 0.00 150 P 0.00 4.18 0.00 2.33 1.92 0.00 3.89 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 2.14 2.07 0.00 151 F 8.76 3.48 0.00 3.25 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 0.00 152 N 8.33 4.19 0.00 3.01 2.89 0.00 0.00 7.08 8.34 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 0.00 153 A 7.85 4.46 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 S 8.72 4.54 0.00 3.82 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 0.00 155 V 7.58 5.05 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 0.82 0.00 0.00 0.95 0.00 0.00 156 E 9.48 5.07 0.00 2.16 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 2.46 2.52 0.00 157 I 8.91 5.03 1.84 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 1.21 0.48 0.83 0.00 0.00 158 D 8.52 5.37 0.00 3.14 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 0.00 159 A 8.33 5.05 1.15 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 0.00 160 I 8.59 4.61 1.65 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 0.25 0.61 0.50 0.00 0.00 161 V 8.78 4.73 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 0.81 0.00 0.00 0.86 0.00 0.00 162 E 9.36 4.85 0.00 2.03 1.79 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 2.29 2.26 0.00 163 I 8.57 4.73 1.86 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 1.25 1.72 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.