NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0632 8.1633 120.7182 55.1776 33.8067 173.7412 2 R 4.8371 8.8212 123.2588 51.4188 33.5100 169.8226 3 V 5.3128 8.2357 123.0851 58.9288 34.9687 174.6502 4 V 4.2081 8.4530 125.2310 61.7520 32.2143 174.3973 5 I 4.5074 8.2701 129.4539 60.9674 38.6985 175.3698 6 Q 5.2007 8.7569 123.9817 54.0754 33.0461 174.4564 7 R 4.5817 8.8366 123.6739 56.0775 31.5976 175.6227 8 V 5.6442 8.6518 117.7126 58.8374 35.9074 176.2259 9 K 4.9934 8.3843 120.7863 55.6435 32.9473 176.8334 10 G 4.7541 7.5436 109.5138 45.9554 0.0000 171.5163 11 A 5.1036 8.1139 120.4259 50.8637 23.5051 175.7043 12 I 4.9066 8.6921 122.2043 59.5099 40.8737 174.2437 13 L 4.7716 9.0059 130.4632 54.0248 43.3852 175.5480 14 S 5.2521 8.9311 120.4753 57.1299 67.9439 172.8786 15 V 4.6227 8.4165 113.3643 59.5514 36.3912 175.5907 16 R 4.3431 8.8246 122.9743 57.1374 30.6751 178.0604 17 K 4.0604 8.2145 123.1617 57.0020 32.2332 177.2463 *26 E 4.2421 7.7311 120.1236 55.8211 31.0586 174.2516 27 L 4.9504 8.4461 124.0378 52.9678 45.4671 175.0165 28 E 4.6969 9.0718 120.2985 54.3749 32.8236 174.7244 29 I 4.5285 8.8242 127.9738 61.0502 37.4914 175.6994 30 I 4.6294 8.3724 118.3247 60.4761 39.0845 175.5259 31 S 4.7157 7.6987 117.0630 57.9874 67.1733 173.6050 32 E 5.3454 8.6489 122.2207 54.9590 33.5615 174.5528 33 I 4.9728 8.8533 115.6928 57.2096 41.8878 175.6389 34 K 4.9223 8.6130 128.0628 55.7991 30.6578 179.9889 35 N 4.8634 8.6254 126.7382 53.2967 39.6013 174.1726 36 G 5.0117 6.9183 108.3475 46.2392 0.0000 171.4778 37 L 5.8490 8.1277 122.4986 51.8558 46.1584 175.4059 38 I 4.5084 8.3917 122.9198 59.7110 40.1816 174.0367 39 C 4.7558 8.4993 128.9636 58.0986 29.8731 173.4513 40 F 4.5603 9.3861 125.1234 56.7775 39.3005 174.7190 41 L 5.1606 9.2644 127.5968 53.1977 44.4999 175.0632 42 G 4.5018 9.1495 114.3027 45.5143 0.0000 171.9234 43 I 5.1896 8.6616 125.7049 60.0905 39.5209 174.9074 44 H 3.9514 10.6193 130.3823 55.9095 30.8618 176.7009 45 K 3.7540 8.1500 125.5359 57.7709 31.4064 179.7512 46 N 5.0042 8.0000 114.3060 52.7015 39.0295 175.2715 47 D 4.7082 7.4886 117.6742 54.7686 41.4077 176.2011 48 T 5.0043 9.8950 112.8985 59.0438 73.4405 174.6871 49 W 4.5253 8.9783 128.8851 59.7312 30.5844 177.4138 50 E 3.9081 8.1436 119.0931 60.1002 29.0118 178.1481 51 D 4.3678 8.4311 117.8095 57.8672 40.8180 178.6946 52 A 3.8377 7.9890 120.3227 55.7555 18.2978 179.6572 53 L 3.4207 7.3520 116.5383 57.6727 41.5194 179.4828 54 Y 3.8966 7.7428 119.3883 60.6419 38.8319 177.6008 55 I 3.6103 7.7560 120.6818 64.7569 37.2018 178.3802 56 I 3.2304 7.5591 120.3784 64.2628 36.5437 178.5737 57 R 3.8055 7.9673 119.6969 59.0398 29.8540 178.8179 58 K 3.8212 8.0162 118.7224 59.3929 31.8559 178.9633 59 C 4.1050 8.2360 116.0935 63.1623 28.2674 176.2332 60 L 4.1637 7.7632 118.2412 56.7870 41.2475 177.6280 61 N 4.8685 7.4652 113.5054 52.7306 40.7557 174.9842 62 L 3.8485 8.2995 118.9443 55.2874 42.2539 177.2054 63 R 4.5171 8.6448 123.0389 55.6621 29.4023 176.2082 64 L 5.2180 9.0771 121.5607 54.0245 43.3040 176.6686 65 W 4.7703 8.2748 119.0061 54.4370 32.8668 175.0464 66 N 4.8766 8.7066 119.3919 53.4344 39.8526 173.8688 67 N 5.0381 9.3554 119.3895 52.4336 42.3002 176.9584 68 D 4.1043 9.4128 125.4867 55.7300 40.9162 174.7995 69 N 4.4375 9.2975 122.3890 56.5746 40.2936 174.6123 70 K 4.1232 8.2854 119.6275 56.1829 32.4256 177.0423 71 T 4.7812 8.3110 113.6145 60.7982 70.1840 174.6856 72 W 4.0498 6.9707 118.2975 57.2524 26.1568 173.5109 73 D 4.9140 8.7305 118.9961 54.4818 43.9134 176.6877 74 K 4.9692 8.2297 116.4880 54.5322 35.8357 175.5006 75 N 5.5386 10.0556 122.0175 51.0368 40.3053 175.9861 76 V 3.2742 8.6841 118.1460 64.9230 30.9698 178.5065 77 K 3.5322 7.8070 118.4897 59.1573 31.7830 178.8801 78 D 4.3375 8.2461 118.0032 56.2429 40.7530 177.6712 79 L 4.0952 6.6646 115.8388 53.3109 42.3944 176.5086 80 N 4.5285 7.2943 114.2865 54.5551 36.2685 173.8731 81 Y 4.8211 7.3970 116.2218 57.8637 38.9904 174.3649 82 E 4.9499 9.0405 119.7737 54.9798 33.0150 175.3329 83 L 5.0531 8.8508 120.1795 52.9589 46.1384 175.7795 84 L 4.8391 8.8080 125.2698 53.5253 44.1202 175.3029 85 I 4.5506 8.4038 129.1345 60.1483 38.3868 175.1438 86 V 4.4208 7.9980 127.3358 60.9608 34.0363 174.5110 87 S 4.8268 8.4558 121.9071 57.9587 63.2027 173.1909 88 Q 4.3161 10.2181 128.6499 54.4302 30.9829 175.1836 89 F 4.5675 8.4509 122.9505 58.9850 38.8537 177.7479 90 T 3.9640 6.9166 110.7652 63.2895 68.6084 175.5965 91 L 4.1373 7.8091 121.3747 56.4992 41.7331 177.1591 92 F 4.8938 8.0413 117.9973 56.8176 39.5142 175.9492 93 G 3.6651 8.3125 111.2790 45.4787 0.0000 173.8943 94 N 4.5263 9.4332 127.3081 53.1272 38.9788 175.3303 95 T 4.3970 8.4445 117.0247 61.5708 69.5973 175.7825 96 K 3.6879 7.5351 125.2872 58.0278 31.9281 182.2177 97 K 4.3147 7.8125 121.4903 53.3767 32.6832 180.0477 98 G 3.9821 8.5578 114.6595 44.3063 0.0000 172.5647 99 N 4.7472 8.7165 115.6647 53.2470 38.7378 175.4135 100 K 4.5182 7.7392 120.4118 52.0922 33.3186 178.0745 101 P 4.4842 0.0000 0.0000 61.0448 32.2342 175.1461 102 D 4.5462 8.1865 121.3242 52.4715 43.1309 176.7470 103 F 5.5463 8.1534 125.5854 57.2907 39.4322 175.5239 104 H 4.6374 8.1970 119.7450 58.4328 29.7585 177.7159 105 L 4.2272 7.9040 116.7811 55.8497 42.3355 176.6067 106 A 4.3309 7.3697 121.1236 50.3074 19.7305 177.2878 107 K 3.8407 8.2791 124.9525 56.2345 32.8486 176.3851 108 E 3.9068 9.1983 128.1310 56.4895 30.3502 175.9350 109 P 4.3955 0.0000 0.0000 65.9904 31.4719 177.6889 110 N 4.3104 9.5521 116.4847 56.8347 38.4809 177.4108 111 E 4.1061 8.1503 119.0478 59.1702 29.4853 179.4508 112 A 4.1528 7.9290 120.7843 54.9714 18.3541 179.2580 113 L 2.4400 8.2724 119.2072 58.0312 41.8544 179.1692 114 I 3.7905 7.3923 116.7323 63.3423 37.8455 177.7459 115 F 4.1741 8.2057 121.9256 61.4231 39.3778 176.2138 116 Y 4.4272 8.6315 119.6415 61.4044 38.5611 178.2642 117 N 4.5499 8.2320 116.9741 55.9656 38.5218 177.7110 118 K 3.9381 7.7641 118.7744 59.4080 32.1233 179.0835 119 I 3.5908 7.8885 120.0320 64.6321 37.0098 178.1414 120 I 3.7872 8.0672 120.6178 64.8189 36.9059 178.0750 121 D 4.3818 8.6216 119.6433 57.5012 40.5987 178.6271 122 E 3.9979 8.6119 120.1030 59.1725 29.5458 178.5939 123 F 4.4227 8.7423 118.1624 60.8791 38.7731 177.8023 124 K 4.2286 8.7119 120.4626 59.9394 31.5526 180.4082 125 K 3.9470 8.1215 123.6117 60.0794 31.9359 182.5815 126 Q 4.4121 8.8452 118.9590 58.3496 28.5293 175.1052 127 Y 4.8466 8.3734 118.9104 56.2631 42.0736 173.9387 128 N 4.2523 7.6938 110.9569 52.8020 43.7739 174.8464 129 D 4.4222 8.6480 125.7568 57.7345 41.2805 178.5691 130 D 4.3391 7.9609 117.0280 56.8666 40.9333 177.4444 131 K 4.0693 7.6679 116.6504 56.4894 32.3966 175.7299 132 I 4.5859 7.0067 120.1128 59.7831 38.0834 175.3443 133 K 4.7430 8.7458 127.2390 54.7514 35.0760 175.4297 134 I 5.2135 7.4651 114.1823 58.7470 41.2649 174.1372 135 G 4.1070 8.1904 108.5889 45.0620 0.0000 172.8325 136 K 4.5458 8.4248 122.7426 54.0892 33.0408 176.2028 137 F 3.7129 9.0109 128.5300 60.0112 39.4542 174.6884 138 G 4.0024 7.8827 113.8518 46.3358 0.0000 172.3854 139 N 4.9403 7.8685 115.7283 50.7044 40.4381 174.4648 140 Y 3.9742 8.6473 122.9080 58.4930 39.1264 175.1670 141 M 4.8718 7.4494 125.2461 53.4677 36.5789 175.0199 142 N 4.5897 8.8607 118.1265 52.3855 41.8296 173.0076 143 I 4.8521 8.1515 127.4684 59.3952 39.1683 175.4035 144 D 4.5930 8.7335 128.8146 54.0591 41.7012 175.8945 145 V 4.6030 8.3782 123.1118 61.3812 34.7902 175.1309 146 T 4.4223 8.7963 124.9787 62.0329 69.2991 173.3822 147 N 4.7997 8.6290 124.6951 53.2616 39.1770 175.5959 148 D 4.4061 9.5564 126.4901 51.1685 39.3742 176.5674 149 G 4.6779 8.0735 118.7290 45.7272 0.0000 168.8029 150 P 4.3580 0.0000 0.0000 61.1171 32.5719 176.2486 151 V 4.3381 8.1514 119.6244 61.7620 33.9910 174.4880 152 T 4.9493 8.5681 125.5659 62.0440 70.0563 174.2732 153 I 4.3578 8.4249 127.9821 60.5024 39.3958 174.5985 154 Y 5.0599 8.3693 124.6110 56.0575 41.8487 174.4080 155 I 4.6126 7.7023 125.9095 59.4320 41.3026 173.5847 156 D 5.3151 8.7152 126.4403 52.5587 42.5951 175.9962 157 T 3.9889 8.9898 116.8396 64.0765 69.9475 175.8837 158 H 4.8006 9.3017 118.5861 56.2436 28.4255 175.0630 159 D 4.5841 7.7218 126.0098 54.4798 40.9646 176.0471 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 8.16 5.06 0.00 1.73 2.03 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 8.82 4.84 0.00 1.34 1.55 0.00 2.33 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 3 V 8.24 5.31 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 0.56 0.00 0.00 1.00 0.00 0.00 4 V 8.45 4.21 2.16 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 1.09 0.00 0.00 1.04 0.00 0.00 5 I 8.27 4.51 1.89 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 1.26 0.59 0.94 0.00 0.00 6 Q 8.76 5.20 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 7 R 8.84 4.58 0.00 1.61 1.75 0.00 2.21 0.00 0.00 2.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.84 0.00 8 V 8.65 5.64 2.39 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 1.08 0.00 0.00 1.11 0.00 0.00 9 K 8.38 4.99 0.00 1.64 1.84 0.00 1.94 0.00 0.00 2.37 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.30 7.81 10 G 7.54 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 5.10 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 12 I 8.69 4.91 1.87 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 0.75 0.91 0.00 0.00 13 L 9.01 4.77 0.00 1.64 1.49 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.93 5.25 0.00 3.89 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 15 V 8.42 4.62 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.02 0.00 0.00 16 R 8.82 4.34 0.00 1.86 1.89 0.00 3.15 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 17 K 8.21 4.06 0.00 1.76 1.71 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.24 7.81 *26 E 7.73 4.24 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 27 L 8.45 4.95 0.00 1.57 1.71 0.97 0.95 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 28 E 9.07 4.70 0.00 1.98 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 29 I 8.82 4.53 1.87 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 1.03 1.07 0.93 0.00 0.00 30 I 8.37 4.63 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.67 0.98 0.00 0.00 31 S 7.70 4.72 0.00 3.74 3.71 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 32 E 8.65 5.35 0.00 1.77 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 2.19 2.29 0.00 33 I 8.85 4.97 1.85 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 1.21 1.79 0.87 0.00 0.00 34 K 8.61 4.92 0.00 1.72 0.86 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.50 7.81 35 N 8.63 4.86 0.00 1.44 1.56 0.00 0.00 6.67 7.63 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 36 G 6.92 5.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.13 5.85 0.00 1.64 1.58 1.09 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.39 4.51 1.78 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 1.16 1.01 0.00 0.00 39 C 8.50 4.76 0.00 2.87 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 40 F 9.39 4.56 0.00 2.92 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 41 L 9.26 5.16 0.00 1.87 1.84 1.13 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.15 4.50 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 0.00 43 I 8.66 5.19 2.05 0.00 0.00 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 1.62 0.94 0.86 0.00 0.00 44 H 10.62 3.95 0.00 2.99 3.16 0.00 5.61 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.15 3.75 0.00 1.79 1.74 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.40 1.31 7.81 46 N 8.00 5.00 0.00 2.71 2.85 0.00 0.00 6.92 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.49 4.71 0.00 2.56 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 9.89 5.00 4.42 0.00 0.00 0.00 0.00 0.00 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 49 W 8.98 4.53 0.00 3.43 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 50 E 8.14 3.91 0.00 2.02 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 2.42 2.54 0.00 51 D 8.43 4.37 0.00 2.94 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 52 A 7.99 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.35 3.42 0.00 1.68 1.54 0.75 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.74 3.90 0.00 3.04 3.07 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 0.00 0.00 0.00 55 I 7.76 3.61 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.69 0.98 0.00 0.00 56 I 7.56 3.23 1.35 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.87 0.18 0.00 0.00 57 R 7.97 3.81 0.00 1.90 1.78 0.00 3.04 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 58 K 8.02 3.82 0.00 1.70 1.66 0.00 1.58 0.00 0.00 1.45 0.00 0.00 2.59 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.63 1.03 7.81 59 C 8.24 4.11 0.00 3.20 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.76 4.16 0.00 1.56 1.64 1.02 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.47 4.87 0.00 2.74 2.78 0.00 0.00 7.00 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 62 L 8.30 3.85 0.00 1.70 1.67 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.64 4.52 0.00 1.98 1.95 0.00 3.09 0.00 0.00 3.38 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.87 0.00 64 L 9.08 5.22 0.00 1.04 1.33 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.27 4.77 0.00 3.31 2.97 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 66 N 8.71 4.88 0.00 2.63 2.68 0.00 0.00 6.34 6.92 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 67 N 9.36 5.04 0.00 2.65 2.72 0.00 0.00 7.77 8.74 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 68 D 9.41 4.10 0.00 2.77 2.39 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 69 N 9.30 4.44 0.00 2.67 2.82 0.00 0.00 6.92 6.68 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 70 K 8.29 4.12 0.00 1.86 1.75 0.00 1.72 0.00 0.00 2.02 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.38 7.81 71 T 8.31 4.78 3.38 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 1.03 0.00 0.00 72 W 6.97 4.05 0.00 3.40 3.46 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 0.00 0.00 0.00 0.00 73 D 8.73 4.91 0.00 2.80 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 74 K 8.23 4.97 0.00 1.75 1.60 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.30 7.81 75 N 10.06 5.54 0.00 2.83 3.11 0.00 0.00 6.79 7.55 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 76 V 8.68 3.27 2.39 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 0.83 0.00 0.00 1.11 0.00 0.00 77 K 7.81 3.53 0.00 1.75 1.65 0.00 1.47 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.78 7.81 78 D 8.25 4.34 0.00 2.48 2.63 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 0.00 0.00 0.00 79 L 6.66 4.10 0.00 0.27 0.14 -0.19 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.29 4.53 0.00 2.82 3.02 0.00 0.00 6.99 8.78 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 81 Y 7.40 4.82 0.00 2.63 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 82 E 9.04 4.95 0.00 1.91 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 2.20 2.28 0.00 83 L 8.85 5.05 0.00 1.37 1.32 1.09 0.65 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 84 L 8.81 4.84 0.00 1.65 1.42 0.86 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.40 4.55 1.75 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.27 0.94 0.00 0.00 86 V 8.00 4.42 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 0.94 0.00 0.00 0.69 0.00 0.00 87 S 8.46 4.83 0.00 3.12 3.07 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 0.00 0.00 0.00 88 Q 10.22 4.32 0.00 2.28 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 89 F 8.45 4.57 0.00 3.26 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 90 T 6.92 3.96 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 0.24 0.00 0.00 91 L 7.81 4.14 0.00 1.72 1.39 0.99 0.77 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 92 F 8.04 4.89 0.00 3.25 3.14 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 93 G 8.31 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 94 N 9.43 4.53 0.00 2.77 2.66 0.00 0.00 6.40 6.45 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 95 T 8.44 4.40 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 1.18 0.00 0.00 96 K 7.54 3.69 0.00 1.82 1.75 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.29 7.81 97 K 7.81 4.31 0.00 1.76 1.63 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 0.98 7.81 98 G 8.56 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 99 N 8.72 4.75 0.00 2.70 2.81 0.00 0.00 6.57 7.61 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 0.00 100 K 7.74 4.52 0.00 1.75 1.59 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 0.99 7.81 101 P 0.00 4.48 0.00 1.50 1.84 0.00 3.60 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 102 D 8.19 4.55 0.00 2.61 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 0.00 0.00 0.00 0.00 103 F 8.15 5.55 0.00 3.10 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.20 4.64 0.00 3.33 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.90 4.23 0.00 1.57 1.37 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.37 4.33 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 0.00 107 K 8.28 3.84 0.00 1.87 1.76 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.29 7.81 108 E 9.20 3.91 0.00 1.98 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 0.00 2.37 2.30 0.00 109 P 0.00 4.40 0.00 2.26 2.21 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 110 N 9.55 4.31 0.00 2.94 2.86 0.00 0.00 7.12 6.21 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 0.00 111 E 8.15 4.11 0.00 2.13 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 2.34 2.39 0.00 112 A 7.93 4.15 1.73 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 0.00 0.00 113 L 8.27 2.44 0.00 1.18 1.62 0.45 1.03 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 0.00 114 I 7.39 3.79 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.12 0.97 0.00 0.00 115 F 8.21 4.17 0.00 3.50 3.32 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 0.00 0.00 0.00 0.00 116 Y 8.63 4.43 0.00 3.55 3.26 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 0.00 117 N 8.23 4.55 0.00 2.84 2.88 0.00 0.00 7.09 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.76 3.94 0.00 1.99 1.58 0.00 1.42 0.00 0.00 1.13 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.76 7.81 119 I 7.89 3.59 2.09 0.00 0.00 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 1.31 0.77 0.91 0.00 0.00 120 I 8.07 3.79 1.97 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.60 0.90 0.00 0.00 121 D 8.62 4.38 0.00 2.87 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 0.00 122 E 8.61 4.00 0.00 2.47 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 0.00 2.23 2.23 0.00 123 F 8.74 4.42 0.00 3.34 3.01 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 0.00 124 K 8.71 4.23 0.00 1.96 1.89 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.21 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.74 7.81 125 K 8.12 3.95 0.00 1.84 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 126 Q 8.85 4.41 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 127 Y 8.37 4.85 0.00 2.97 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 0.00 128 N 7.69 4.25 0.00 2.33 1.87 0.00 0.00 7.02 8.37 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 0.00 129 D 8.65 4.42 0.00 2.76 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 0.00 130 D 7.96 4.34 0.00 2.80 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 0.00 131 K 7.67 4.07 0.00 1.09 1.63 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.74 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.04 0.53 7.81 132 I 7.01 4.59 1.83 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 1.40 0.97 0.79 0.00 0.00 133 K 8.75 4.74 0.00 1.69 1.66 0.00 1.44 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.37 7.81 134 I 7.47 5.21 2.11 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 1.29 1.56 0.91 0.00 0.00 135 G 8.19 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 0.00 0.00 0.00 0.00 136 K 8.42 4.55 0.00 1.80 1.72 0.00 1.79 0.00 0.00 1.97 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.44 7.81 137 F 9.01 3.71 0.00 2.84 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 0.00 138 G 7.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.87 4.94 0.00 2.97 2.77 0.00 0.00 6.79 7.12 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 0.00 140 Y 8.65 3.97 0.00 2.97 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 0.00 141 M 7.45 4.87 0.00 1.74 1.70 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 142 N 8.86 4.59 0.00 2.83 2.65 0.00 0.00 7.44 7.34 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 0.00 143 I 8.15 4.85 1.90 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 1.28 0.70 0.94 0.00 0.00 144 D 8.73 4.59 0.00 2.63 2.61 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 0.00 145 V 8.38 4.60 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 0.87 0.00 0.00 1.05 0.00 0.00 146 T 8.80 4.42 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 147 N 8.63 4.80 0.00 2.62 2.78 0.00 0.00 7.03 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 D 9.56 4.41 0.00 2.75 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 0.00 149 G 8.07 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 0.00 150 P 0.00 4.36 0.00 2.06 1.99 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 151 V 8.15 4.34 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 1.21 0.00 0.00 1.03 0.00 0.00 152 T 8.57 4.95 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 153 I 8.42 4.36 1.86 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 1.07 1.35 0.88 0.00 0.00 154 Y 8.37 5.06 0.00 2.94 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 0.00 155 I 7.70 4.61 1.77 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 1.14 0.46 1.05 0.00 0.00 156 D 8.72 5.32 0.00 2.89 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 0.00 157 T 8.99 3.99 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 1.37 0.00 0.00 158 H 9.30 4.80 0.00 3.37 3.35 0.00 5.61 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.72 4.58 0.00 2.71 2.56 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 * Residues marked with a * may have inaccurate shift predictions.