NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2405 8.1727 121.7858 56.5621 34.0358 177.6096 5 D 4.3905 7.9997 117.2156 56.4694 41.2660 177.2066 6 K 4.1128 8.8531 125.4169 59.5866 32.2415 183.1717 7 I 4.0020 7.7708 119.7843 64.3621 37.1537 178.3569 8 L 4.0214 8.0401 119.8671 57.4713 41.4584 179.8468 9 G 3.5321 7.9151 105.6698 47.8352 0.0000 176.1512 10 V 3.5727 7.6877 120.6570 65.2818 31.4343 177.8204 11 A 3.5172 7.8741 120.5937 54.9213 18.2098 179.1422 12 K 3.9825 7.9324 117.7870 60.0749 32.1000 178.7260 13 E 3.9564 7.9837 117.9079 59.4572 29.4172 179.3496 14 L 3.9135 7.9084 119.0413 57.6880 41.5127 179.6135 15 F 4.7948 8.2229 119.4982 60.1698 38.6583 177.7370 16 I 3.8123 8.0264 120.7887 65.0551 37.0227 179.0609 17 K 4.2104 8.1941 123.3289 59.0687 31.7338 179.1783 18 N 4.9849 8.7250 114.1835 51.9014 40.5312 175.1869 19 G 3.9920 8.4505 106.5071 44.7190 0.0000 173.9349 20 Y 4.0953 8.6334 118.1365 60.8775 39.0557 177.5282 21 N 4.3294 8.9074 115.8237 56.4720 38.5938 176.5269 22 A 4.0862 7.9610 117.5165 53.6827 18.7352 177.0454 23 T 4.4855 7.7062 113.4586 61.7084 69.0273 174.9946 24 T 4.5417 8.0787 117.3799 60.2905 72.3092 175.6807 25 T 3.9680 8.4011 119.2257 66.5780 68.3798 177.2456 26 G 3.5584 7.9801 107.5497 47.7933 0.0000 175.3241 27 E 3.9079 8.1223 121.9095 58.7370 29.6609 179.0906 28 I 3.6465 7.8201 120.1534 64.2018 36.6813 178.2931 29 V 3.7588 8.2217 121.9937 66.7570 31.0660 178.9230 30 K 4.0733 8.1487 122.4034 59.2346 31.7406 180.1255 31 L 4.6943 7.4442 116.8468 54.5827 42.0594 177.2481 32 S 4.5061 7.7284 114.5588 57.5291 63.9256 174.7880 33 E 3.7799 8.3411 117.4803 56.9429 26.2913 178.8431 34 S 4.6943 7.7917 116.4903 57.7106 67.4673 177.3400 *35 S 4.5535 8.5086 120.0058 58.2416 63.0694 177.3438 36 K 4.1753 8.6498 121.2619 58.2230 31.6039 180.2403 37 G 3.8227 8.1331 107.9066 48.2673 0.0000 175.3199 38 N 4.5510 8.2659 120.0771 55.8017 38.2428 183.4296 39 L 4.2483 8.1864 118.5404 57.3608 41.3063 179.3529 40 Y 4.4164 7.5620 121.7560 59.5030 39.3618 175.4352 *41 Y 3.7249 7.4942 126.4934 57.6773 35.5312 171.6884 42 H 4.1678 7.3831 114.7544 58.0198 28.7152 176.8048 43 F 4.7664 8.2288 116.8768 56.6025 40.7363 175.8875 44 K 3.7895 8.1880 124.8028 54.8037 30.2640 181.7664 45 T 4.9660 7.1574 106.8761 58.6782 73.5125 174.5861 46 K 4.0335 8.6378 121.6394 59.5786 32.1920 178.3917 47 E 4.2759 8.2354 120.5788 58.9208 29.7049 178.2254 48 N 4.3788 8.1331 117.0342 56.3017 38.9394 176.6315 49 L 3.7518 7.9581 121.7892 57.9832 42.1156 178.7839 50 F 3.9644 8.2076 120.5056 61.3593 39.3102 177.1597 51 L 3.6530 7.8957 118.5602 57.4561 41.3120 179.1927 52 E 3.8999 8.2149 119.4754 59.2235 29.5453 178.7694 53 I 3.6479 7.7525 119.9722 64.4835 37.1153 178.4232 54 L 3.8364 7.6389 119.7726 57.4401 41.4187 178.9663 55 N 4.2052 7.9788 117.0432 56.8637 38.8531 176.9360 56 I 3.6812 7.6846 121.0196 64.4485 37.1012 178.3474 57 E 4.0531 8.3740 119.5190 59.5022 29.3557 179.0629 58 E 3.7572 8.3685 119.2280 58.8376 29.4927 179.0731 59 S 4.0967 7.9637 115.4560 61.2890 62.8304 176.5670 60 K 3.5846 8.1464 121.5356 59.0430 31.6945 179.0915 61 W 4.4550 8.5166 131.3112 61.4295 30.6690 178.6916 62 Q 3.9527 8.2219 120.5502 59.9432 27.3916 180.0378 63 E 4.0496 8.3510 120.4882 59.5348 29.5972 179.1720 64 Q 3.9169 8.1221 119.7392 59.0236 29.0372 178.2760 65 W 4.1449 7.8095 129.3157 59.9500 30.4183 177.7449 66 K 3.5084 7.6730 118.9877 59.5400 31.5853 178.5198 67 K 3.9977 7.4130 117.2588 59.1537 32.4962 178.6495 68 E 4.0529 7.9326 119.5191 58.5112 29.6826 178.4365 69 Q 3.4290 7.1232 117.4565 58.3657 28.2257 178.3016 70 I 3.6428 7.3445 120.8434 64.0057 37.1679 177.7388 71 K 4.2051 7.7785 117.6588 56.7630 31.9573 176.5564 72 A 4.6728 7.3667 124.9131 50.7841 20.5008 177.2363 73 K 4.1273 9.0128 125.4708 57.6465 32.4241 174.7844 74 T 4.4882 7.9610 110.7765 60.5329 71.5033 175.6003 75 N 4.4816 9.0104 120.0358 56.2122 38.4729 177.7944 76 R 4.4604 8.2915 120.4865 59.9384 30.2399 178.4959 77 E 4.3186 8.4567 118.2329 59.4296 29.3647 179.5092 78 K 4.4064 8.5605 118.8052 59.2882 32.0748 179.2838 79 F 4.1455 8.6314 121.1982 61.5233 39.1375 176.6251 80 Y 4.1386 8.1578 116.0771 61.1810 37.6710 178.8047 81 L 4.1171 8.2329 120.9305 58.4591 42.3503 178.1286 82 Y 3.4765 8.3715 119.8896 60.8101 38.2781 178.0268 83 N 4.4188 7.7096 117.1820 55.3651 38.8175 176.7986 84 E 4.0670 8.1915 120.9010 59.3172 29.7035 178.9464 85 L 4.1725 8.4655 120.6566 56.9806 41.3521 179.5046 86 S 3.1931 7.7653 114.4309 60.9781 62.3550 176.5113 87 L 4.0338 7.3944 122.0236 56.6151 41.4223 177.7188 88 T 4.3731 7.4783 107.5719 62.1863 70.5816 174.6267 89 T 4.0335 7.8640 116.9413 61.9918 67.7908 174.0084 90 Q 4.0845 8.3235 124.4967 57.4863 29.3812 175.2888 91 Y 5.0247 7.7276 117.3318 58.0111 39.5399 173.7999 92 Y 3.9499 10.1401 131.1690 58.7435 39.2071 170.9612 93 Y 3.6485 7.7366 116.1711 60.5011 38.0853 177.1476 94 P 4.2770 0.0000 0.0000 64.8537 31.6560 177.3845 95 L 4.4448 7.6438 117.3390 54.8395 41.5496 178.3273 96 Q 3.6688 7.5625 120.6413 58.8786 28.4922 178.3951 97 N 4.2906 8.0191 116.8936 56.2272 38.5832 177.1394 98 A 4.0791 7.9649 121.7096 55.1622 18.5352 179.6296 99 I 3.9377 8.1345 119.0521 64.4921 37.1000 178.7196 100 I 3.7612 8.1107 114.4851 63.8644 37.1581 177.9183 101 E 3.8906 7.8069 119.7611 58.9747 29.8588 178.0347 102 F 3.7963 8.3160 121.0262 61.5123 39.0676 176.4322 103 Y 3.8560 8.4542 118.4745 60.0458 39.1075 176.7973 104 T 4.5132 8.0650 110.8056 61.0579 69.4533 174.5859 105 E 4.5710 7.5491 119.2274 58.3773 37.4300 175.5641 106 Y 4.1808 7.0975 115.2199 56.2720 39.8190 176.3341 *109 T 4.0193 8.1947 120.4509 62.8615 67.7550 174.0605 110 N 4.7597 7.6577 119.2211 51.5386 36.2960 175.9611 *112 I 4.2658 7.8122 117.6403 60.0831 40.0447 177.3628 113 N 4.4271 7.7846 121.6580 56.5541 39.0515 176.8408 114 E 4.2840 8.0655 112.2576 56.9380 29.4654 183.0374 *116 M 4.5704 8.0688 121.8411 56.5574 34.1005 177.1281 117 N 4.6334 8.1423 115.3675 55.0991 39.0547 177.0583 118 K 4.2641 7.9714 119.3876 58.6836 32.8250 179.2012 119 L 4.1577 7.9012 123.2134 58.3832 41.7215 179.4529 120 E 4.1503 8.0359 118.4610 61.2645 29.8834 180.5516 121 N 4.6769 8.4819 120.9463 56.8976 38.6141 177.7991 122 K 4.0766 7.7875 124.1999 60.0553 31.6443 181.4706 123 Y 4.6583 7.6888 119.9384 60.3174 39.0411 177.4822 124 I 3.8917 8.1440 120.6215 63.5151 37.3607 177.5878 125 D 4.4582 8.0651 118.5386 56.9225 40.9499 177.9423 126 A 4.0401 7.5585 121.9801 55.4228 18.2935 179.2310 127 Y 3.6418 7.6445 114.6657 61.0343 37.9996 177.5673 128 H 4.3930 8.2138 120.2092 58.6899 29.8904 177.5044 129 V 3.6678 8.0349 119.8095 66.0973 31.4194 177.7337 130 I 3.8006 7.6381 119.5669 64.8453 37.0222 178.4519 131 F 4.8999 8.6861 118.5986 60.3513 38.7782 177.8944 132 K 4.0845 8.7570 119.8253 59.7626 32.0910 178.8078 133 E 4.1552 8.8476 119.4276 59.3272 29.2955 179.5728 134 G 3.1088 8.6124 105.9519 47.4627 0.0000 175.4917 135 N 4.6971 8.4901 120.0391 55.8693 38.4282 177.5366 136 L 4.0641 7.8225 118.8964 57.2024 41.6793 178.2495 137 N 4.8046 7.9360 114.3116 52.2861 38.7002 175.4121 138 G 3.9061 7.4308 107.3451 46.5830 0.0000 175.4514 139 E 3.8798 7.8636 121.2372 57.8163 29.5179 176.4674 140 W 4.5313 7.0043 116.2784 56.6702 30.2497 173.8170 141 S 4.8890 8.8372 114.7578 56.4239 63.4951 172.6484 142 I 4.4664 8.7834 127.6366 58.5742 39.0180 175.8773 143 N 4.4886 8.8821 123.9052 55.3736 39.0359 175.2667 144 D 4.8035 7.4759 118.5003 51.6783 41.0765 175.9103 145 V 3.5110 7.9038 123.2214 65.4628 31.7567 176.5676 146 N 4.4222 8.2651 115.5786 56.3208 38.3138 177.0677 147 A 3.9824 7.9522 122.0574 55.1494 18.6135 179.8761 148 V 3.4579 7.6901 116.7687 66.0023 31.3063 178.4406 149 S 4.3772 8.5145 115.4190 61.6497 62.7496 176.8208 150 K 3.9272 7.8144 121.0086 59.3873 31.7410 179.4480 151 I 3.6338 7.9552 119.9071 64.3135 37.0105 178.1942 152 A 3.4823 8.0122 121.2479 55.0000 18.1090 179.5065 153 A 3.2052 7.2533 118.9763 55.2638 18.4087 179.6927 154 N 4.3872 8.0329 114.6985 56.0380 38.5892 177.6743 155 A 3.8732 8.0389 122.5425 55.1169 18.3874 179.9108 156 V 3.1070 7.7331 117.0183 65.8361 31.5849 177.5710 157 N 4.4326 8.5973 117.4463 56.7990 38.6912 177.0538 158 G 3.5752 8.1266 106.9517 47.8361 0.0000 175.7858 159 I 3.6718 7.3416 121.3364 63.8901 37.4876 178.5390 160 V 3.5537 7.8344 119.2501 66.4962 31.2477 178.4158 161 T 3.6733 7.9091 114.3094 65.8277 68.3492 175.5567 162 F 4.9306 7.8389 117.7228 57.6830 39.3321 176.0668 163 T 4.8106 7.2490 110.5222 61.5662 68.8870 176.1039 164 H 4.2806 8.3722 121.5927 59.6865 28.8555 176.8849 165 E 4.1019 8.1972 117.5986 58.4296 29.5582 176.9279 166 Q 4.4966 7.3666 117.2150 53.9777 30.5866 175.4943 167 N 4.3009 8.5473 117.5135 54.3581 40.5496 175.7069 168 I 3.6961 8.3160 126.3436 64.3006 38.2646 177.9583 169 N 4.3546 8.1217 116.9212 56.4324 38.3307 177.1070 170 E 4.0490 8.0857 118.6130 59.3763 29.5537 179.5901 171 R 3.9306 8.0479 118.2685 59.2208 29.9955 179.1906 172 I 3.7885 8.0165 119.8227 64.1763 37.2037 178.6390 173 K 4.0241 8.1512 119.4205 59.3988 31.8399 179.3979 174 L 4.0446 8.2261 119.5088 58.0796 41.5087 179.2305 175 M 4.0946 8.1747 118.0606 58.8468 32.1705 178.0500 176 N 4.5838 8.6204 116.9003 56.1263 38.6331 177.3109 177 K 4.0437 8.1629 120.8648 59.3744 32.3261 178.3981 178 F 4.1708 8.5205 121.0338 61.6958 39.3130 177.1152 179 S 4.1213 8.4116 114.7129 61.6293 62.4692 176.6904 180 Q 4.1373 8.1438 123.2361 58.7551 28.9290 178.0900 181 I 3.6487 7.9297 121.0635 64.4189 36.9707 178.0970 182 F 3.6949 8.0159 119.9414 61.2686 39.5116 176.8457 183 L 3.8704 8.0026 118.5808 57.7262 40.9209 179.0590 184 N 4.4912 8.5638 117.1972 56.1845 38.6285 176.7193 185 G 3.5581 7.6561 105.7215 46.4836 0.0000 175.1247 186 L 3.9444 7.1986 119.9031 56.4660 41.7577 177.0389 187 S 4.2997 7.4156 118.6612 58.7953 62.7288 173.9315 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 4 K 8.17 4.24 0.00 1.23 1.74 0.00 1.56 0.00 0.00 1.39 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.49 7.81 5 D 8.00 4.39 0.00 2.86 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 6 K 8.85 4.11 0.00 1.80 1.80 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.09 7.81 7 I 7.77 4.00 2.28 0.00 0.00 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 1.73 0.55 0.84 0.00 0.00 8 L 8.04 4.02 0.00 1.92 1.73 1.04 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.92 3.53 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 0.00 10 V 7.69 3.57 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 0.92 0.00 0.00 0.94 0.00 0.00 11 A 7.87 3.52 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 12 K 7.93 3.98 0.00 1.97 2.10 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.58 7.81 13 E 7.98 3.96 0.00 2.13 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 0.00 2.53 2.48 0.00 14 L 7.91 3.91 0.00 1.48 1.50 0.78 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.22 4.79 0.00 3.34 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 16 I 8.03 3.81 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.72 0.89 0.00 0.00 17 K 8.19 4.21 0.00 1.84 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 18 N 8.73 4.98 0.00 2.72 2.84 0.00 0.00 7.21 7.60 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 19 G 8.45 3.99 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 0.00 0.00 0.00 20 Y 8.63 4.10 0.00 2.67 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 21 N 8.91 4.33 0.00 2.81 2.92 0.00 0.00 7.12 8.13 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 22 A 7.96 4.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.71 4.49 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 0.59 0.00 0.00 24 T 8.08 4.54 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 25 T 8.40 3.97 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 1.25 0.00 0.00 26 G 7.98 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.12 3.91 0.00 2.01 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 2.23 2.30 0.00 28 I 7.82 3.65 1.93 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.86 0.83 0.00 0.00 29 V 8.22 3.76 2.30 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 1.02 0.00 0.00 1.02 0.00 0.00 30 K 8.15 4.07 0.00 1.89 1.71 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.35 7.81 31 L 7.44 4.69 0.00 1.65 1.70 0.97 0.70 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 32 S 7.73 4.51 0.00 3.97 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 33 E 8.34 3.78 0.00 2.11 1.84 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 2.15 1.85 0.00 34 S 7.79 4.69 0.00 3.62 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 *35 S 8.51 4.55 0.00 3.65 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 36 K 8.65 4.18 0.00 1.67 1.85 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.01 7.81 37 G 8.13 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 0.00 0.00 0.00 38 N 8.27 4.55 0.00 2.71 2.84 0.00 0.00 6.97 6.06 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 39 L 8.19 4.25 0.00 1.56 1.70 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.56 4.42 0.00 2.91 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 *41 Y 7.49 3.72 0.00 2.56 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 0.00 0.00 0.00 0.00 42 H 7.38 4.17 0.00 3.11 2.22 0.00 5.56 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.23 4.77 0.00 3.14 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 44 K 8.19 3.79 0.00 1.96 1.81 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 0.98 7.81 45 T 7.16 4.97 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 1.32 0.00 0.00 46 K 8.64 4.03 0.00 1.90 1.95 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.13 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.51 7.81 47 E 8.24 4.28 0.00 2.10 2.01 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.64 3.64 0.00 3.13 3.03 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 0.00 128 H 8.21 4.39 0.00 3.33 3.54 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.03 3.67 2.31 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 1.14 0.00 0.00 1.07 0.00 0.00 130 I 7.64 3.80 1.70 0.00 0.00 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 1.67 0.59 0.94 0.00 0.00 131 F 8.69 4.90 0.00 3.12 2.96 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 0.00 132 K 8.76 4.08 0.00 1.88 2.03 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.57 7.81 133 E 8.85 4.16 0.00 2.25 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 2.58 2.52 0.00 134 G 8.61 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 0.00 0.00 0.00 135 N 8.49 4.70 0.00 3.19 2.97 0.00 0.00 6.75 6.05 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 0.00 136 L 7.82 4.06 0.00 1.79 1.73 0.95 1.13 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 0.00 137 N 7.94 4.80 0.00 2.52 2.71 0.00 0.00 7.01 7.13 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 0.00 138 G 7.43 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 0.00 0.00 0.00 139 E 7.86 3.88 0.00 1.16 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 2.04 1.81 0.00 140 W 7.00 4.53 0.00 3.36 3.31 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 0.00 141 S 8.84 4.89 0.00 3.60 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 0.00 142 I 8.78 4.47 1.93 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.99 0.68 0.00 0.00 143 N 8.88 4.49 0.00 2.68 2.85 0.00 0.00 6.91 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 0.00 144 D 7.48 4.80 0.00 2.63 2.45 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 0.00 145 V 7.90 3.51 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 0.92 0.00 0.00 0.95 0.00 0.00 146 N 8.27 4.42 0.00 2.97 2.91 0.00 0.00 7.04 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 0.00 147 A 7.95 3.98 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 V 7.69 3.46 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 0.29 0.00 0.00 0.72 0.00 0.00 149 S 8.51 4.38 0.00 4.12 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 0.00 150 K 7.81 3.93 0.00 1.88 1.86 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.74 7.81 151 I 7.96 3.63 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.69 1.13 0.00 0.00 152 A 8.01 3.48 1.09 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 0.00 153 A 7.25 3.21 0.71 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 0.00 0.00 154 N 8.03 4.39 0.00 2.85 2.89 0.00 0.00 6.96 7.30 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 0.00 155 A 8.04 3.87 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 0.00 156 V 7.73 3.11 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 1.03 0.00 0.00 0.82 0.00 0.00 157 N 8.60 4.43 0.00 3.17 2.94 0.00 0.00 7.10 7.73 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 0.00 158 G 8.13 3.58 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 0.00 0.00 0.00 159 I 7.34 3.67 1.74 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 1.24 0.41 0.81 0.00 0.00 160 V 7.83 3.55 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 0.93 0.00 0.00 0.69 0.00 0.00 161 T 7.91 3.67 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 0.83 0.00 0.00 162 F 7.84 4.93 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 0.00 163 T 7.25 4.81 4.23 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 0.00 0.00 0.00 1.24 0.00 0.00 164 H 8.37 4.28 0.00 3.17 3.39 0.00 5.72 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 0.00 165 E 8.20 4.10 0.00 1.96 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 2.34 2.43 0.00 166 Q 7.37 4.50 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 167 N 8.55 4.30 0.00 2.79 2.71 0.00 0.00 6.55 7.88 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 0.00 168 I 8.32 3.70 1.87 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 1.64 1.06 0.91 0.00 0.00 169 N 8.12 4.35 0.00 2.98 2.87 0.00 0.00 7.15 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 0.00 170 E 8.09 4.05 0.00 2.16 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 2.53 2.50 0.00 171 R 8.05 3.93 0.00 2.03 1.95 0.00 3.34 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 172 I 8.02 3.79 2.03 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 1.80 0.93 0.95 0.00 0.00 173 K 8.15 4.02 0.00 2.04 1.90 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.65 7.81 174 L 8.23 4.04 0.00 1.84 1.76 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 175 M 8.17 4.09 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.70 0.00 176 N 8.62 4.58 0.00 2.90 3.07 0.00 0.00 6.66 8.19 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 0.00 177 K 8.16 4.04 0.00 2.08 2.10 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.58 7.81 178 F 8.52 4.17 0.00 3.23 3.30 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 0.00 179 S 8.41 4.12 0.00 3.66 3.34 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 0.00 180 Q 8.14 4.14 0.00 2.53 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 181 I 7.93 3.65 1.94 0.00 0.00 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 1.43 0.78 0.90 0.00 0.00 182 F 8.02 3.69 0.00 2.15 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 0.00 183 L 8.00 3.87 0.00 1.80 1.76 1.13 -0.24 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 0.00 184 N 8.56 4.49 0.00 2.92 2.94 0.00 0.00 7.13 9.05 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 0.00 185 G 7.66 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 L 7.20 3.94 0.00 1.55 1.47 0.06 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 187 S 7.42 4.30 0.00 3.95 3.78 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 * Residues marked with a * may have inaccurate shift predictions.