NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7646 8.2827 118.2211 52.4694 39.0286 174.3862 3 F 3.7752 8.7361 118.7369 59.7875 39.1653 172.1939 4 V 3.5821 8.6552 119.6916 64.8054 31.6566 177.6320 5 E 3.8930 8.3712 119.2598 58.8548 29.3787 179.0045 6 L 3.8049 7.7532 120.1911 58.1776 41.9760 178.9682 7 A 3.8287 7.4986 119.5568 55.0020 18.3678 179.4703 8 K 4.0936 8.2674 117.5844 59.2249 31.8919 179.7459 9 K 4.0651 7.9459 118.6381 58.6238 32.9513 178.0134 10 R 3.9405 7.3312 119.9771 56.6345 30.3733 174.7779 11 Y 4.8165 7.7850 121.1999 55.5767 41.2761 173.8283 12 S 4.5583 8.6197 116.2718 57.6344 62.8263 173.6439 13 C 4.3895 8.4719 127.3128 58.5696 31.9099 173.4289 14 R 4.1957 8.1852 124.8155 55.4320 30.9369 175.2604 15 N 4.8365 7.3818 116.0801 52.3334 41.7083 172.6087 16 Y 5.1847 8.4609 120.9893 55.8900 40.5174 176.2098 17 Q 4.3496 9.1506 122.4506 55.8176 29.1751 176.6002 18 D 4.4346 8.8661 120.8981 57.0101 41.1601 177.3674 19 R 3.9216 8.0818 119.1426 56.3952 30.2170 176.2397 20 K 4.2424 8.5064 124.6722 56.0948 32.8352 176.7534 21 V 3.9518 8.1601 121.7635 62.2998 32.3068 176.5207 22 E 4.1586 8.8251 126.9042 56.1257 31.2239 177.8336 23 K 3.9004 8.7265 123.4496 59.9166 31.7690 178.9382 24 E 3.9666 8.1707 118.2155 59.3190 29.4079 179.4039 25 K 4.0173 7.9467 118.0538 59.1384 32.2423 178.7871 26 L 3.9218 7.9335 120.6345 58.4967 41.9879 179.0556 27 E 3.9548 8.4093 118.3712 59.2657 29.1006 179.5496 28 K 4.1913 7.5777 117.3303 59.1821 32.1261 179.2946 29 V 3.7208 7.8715 118.5773 66.0931 31.5001 178.0774 30 L 4.0466 8.1407 118.9160 57.8974 41.4290 179.0861 31 D 4.3908 8.2073 118.7936 57.6617 40.9278 179.2050 32 V 3.8496 7.5986 110.2175 63.3557 31.3856 178.3179 33 A 4.0165 7.6881 120.4219 54.7155 18.1788 179.2296 34 R 4.0331 7.7918 116.2787 59.4959 30.4809 178.2046 35 I 3.7966 7.4748 117.8920 63.2032 37.4433 176.8938 36 A 3.9725 7.1140 121.4955 51.5206 18.7749 175.2896 37 P 4.6120 0.0000 0.0000 62.3883 32.8021 175.7557 38 T 4.7796 7.9830 108.7316 59.2462 72.1386 173.4905 39 G 3.6574 9.4252 112.7766 47.2443 0.0000 174.3994 40 G 3.6188 8.7640 110.8934 45.1078 0.0000 172.6018 41 N 4.2290 8.1346 115.4226 54.2965 37.9108 175.7056 42 R 3.9933 8.1072 116.5883 56.7546 30.9732 176.8461 43 Q 3.8963 8.2297 115.8293 55.4610 26.2717 171.8639 44 P 4.7614 0.0000 0.0000 63.2007 33.6219 177.7298 45 Q 4.5865 7.9181 120.1671 56.5223 30.3307 175.2726 46 R 4.6875 9.0532 122.0879 55.0280 33.2667 173.3656 47 L 5.1615 8.5863 126.2321 53.0117 44.3623 176.0297 48 I 4.3682 8.3318 123.6670 59.3418 39.8906 174.9066 49 V 4.0101 8.3679 127.9408 62.4748 32.4469 175.1994 50 I 4.6223 8.9346 129.0911 59.6389 39.7606 175.8179 51 Q 4.6553 8.7408 122.0778 54.6988 30.3822 174.9296 52 E 4.6449 7.7358 118.4514 54.3177 33.2933 176.5745 53 K 3.8769 8.3183 120.4084 59.7217 32.3047 178.0944 54 E 3.9680 8.2563 119.1567 59.3832 29.5060 178.8256 55 G 3.7080 8.0340 104.9000 47.9907 0.0000 175.3330 56 I 3.7235 7.9789 122.7688 64.1381 36.8895 178.2649 57 N 4.3315 8.2540 116.4339 56.1966 38.5218 177.1947 58 K 4.0319 8.5324 120.1372 59.5836 32.1045 179.3159 59 L 4.0807 8.2240 119.1612 58.0287 41.4192 179.7596 60 S 4.4110 8.1482 115.8174 60.3941 62.4704 176.7361 61 K 3.9839 7.7007 120.7741 58.4706 31.9706 178.1018 62 A 4.5853 8.0833 119.6377 51.8181 19.6144 176.0949 63 A 4.4872 6.6501 115.7136 51.0336 22.4625 175.1140 64 N 4.5221 8.4074 119.2876 53.0703 38.7724 174.6887 65 I 4.1447 7.9772 118.2641 59.9231 38.0143 175.2618 66 Y 3.8914 7.9233 116.3570 59.8070 35.7979 169.8075 67 D 4.4022 8.5194 114.2030 54.8749 38.8273 174.1389 68 A 3.6116 7.8636 120.9654 51.5830 18.6682 177.1991 69 P 4.4529 0.0000 0.0000 64.0893 32.0503 176.0720 70 L 4.8907 7.3144 120.8188 53.5398 45.6974 174.3110 71 A 4.8328 9.0229 126.4637 50.1567 23.1617 174.8000 72 I 4.6779 8.4775 121.0875 59.2466 40.4478 174.6295 73 L 4.1455 8.5076 130.6584 54.2743 43.2035 175.5257 74 V 4.3512 8.7547 127.8560 61.6858 33.0178 174.4465 75 C 5.1761 9.1211 126.4718 58.1386 31.3232 173.1203 76 G 4.3452 8.8479 107.5819 44.5234 0.0000 171.6905 77 D 5.4334 8.9586 124.4048 52.3980 41.8070 177.1972 78 K 4.2492 9.0258 126.4445 58.6568 32.9650 177.7731 79 D 4.5899 8.4533 119.0497 55.4853 41.1748 177.0172 80 K 4.4835 7.7449 117.6433 56.8207 34.2504 177.4568 81 V 3.8403 7.6424 117.0825 61.1399 32.0953 175.4712 82 W 4.3755 8.7705 132.0038 57.8825 32.0071 174.5837 83 T 4.7180 7.3613 122.4665 61.3287 70.7010 173.6559 84 R 2.8714 8.3433 127.9046 55.0915 30.5591 175.7392 85 P 4.0554 0.0000 0.0000 65.5227 31.7772 177.8290 86 F 4.3555 8.0453 116.2718 60.0967 38.8449 175.6350 87 D 4.6862 7.6651 114.0137 51.8973 40.7103 175.7843 88 G 3.7800 8.4142 107.5599 46.0239 0.0000 173.6779 89 K 4.0846 8.1262 121.9167 56.0419 32.6317 176.1394 90 Q 4.9199 8.4357 125.0173 54.9744 30.3941 175.0777 91 L 4.6490 8.3622 120.1799 55.5218 41.9675 179.0983 92 T 3.9211 8.1803 118.3703 67.2461 68.3530 176.0316 93 D 4.4860 8.1112 119.9644 57.0988 40.9086 178.8632 94 I 3.7695 7.6026 120.0250 64.4773 37.3884 177.7899 95 D 4.4202 8.4818 120.2630 57.8265 40.6890 179.2688 96 T 3.9692 7.7980 110.0256 64.7949 68.6419 176.7353 97 S 4.5310 8.1551 117.7479 61.3082 62.8582 176.5506 98 I 3.8005 7.9736 122.6931 64.3646 36.6547 178.5193 99 V 3.5243 7.4804 117.6139 66.4198 31.4318 177.9097 100 T 3.7682 7.8296 114.2237 66.4086 68.2138 175.9219 101 D 4.8589 8.5064 119.3709 57.2722 42.9411 176.3021 102 H 4.2955 8.3083 118.3977 56.0974 25.8308 175.4080 *105 L 4.2408 7.5841 123.4679 54.7597 44.2769 179.5608 106 Q 3.9362 8.4105 118.9013 59.0538 28.8953 178.0032 107 A 3.9591 8.0056 121.2654 55.6430 18.3888 179.4712 108 T 4.0138 7.8100 114.8724 66.2911 68.3448 176.2578 109 E 4.0141 7.9609 119.8905 58.8900 29.6746 177.8609 110 L 4.4724 7.3955 116.5977 54.4023 41.8218 177.5954 111 G 4.0011 7.8957 107.1661 45.3765 0.0000 173.4564 112 L 4.2684 7.6978 120.2034 53.4072 42.9771 176.6122 113 A 4.3897 8.5651 125.9705 52.2154 19.5059 176.3828 114 S 5.4744 8.2752 112.2956 58.4430 66.7024 173.4703 115 V 4.8609 8.1302 118.6775 60.1362 34.6413 173.1775 116 W 4.7488 8.9843 133.8364 56.8494 31.9168 175.3016 117 V 4.7330 9.2246 126.9262 61.7630 33.3344 175.3902 118 C 4.9879 9.3422 124.0603 59.9228 29.9648 174.3418 119 Y 4.6578 7.9714 122.2076 55.9134 36.7939 173.7076 120 F 5.1349 7.2718 116.7535 54.0612 41.7209 175.3783 121 N 4.6355 9.1426 121.6243 52.4645 38.3454 174.0954 122 P 4.7218 0.0000 0.0000 66.1183 31.4482 178.0873 123 D 4.4122 8.2831 118.3484 56.9742 40.7696 178.5429 124 I 3.7395 8.2308 120.4699 64.4590 37.1768 178.3613 125 I 3.8734 7.8629 120.6377 64.5253 36.9271 178.4494 126 R 3.9625 8.3241 119.5666 59.3441 30.0115 178.2333 127 E 3.9097 8.3617 119.0424 59.5046 29.5164 178.6775 128 E 3.8656 8.3965 117.5708 58.4936 29.4771 178.3964 129 F 4.4013 7.9374 114.7098 55.7658 40.0516 175.7778 130 S 3.7148 7.7576 113.1338 59.3967 60.8162 173.1556 131 L 4.1507 8.0401 119.5462 53.8245 42.2914 176.3196 132 P 4.5866 0.0000 0.0000 62.1919 32.1820 177.0101 133 D 4.4631 8.5083 118.3825 57.0182 40.9166 177.7580 134 N 4.5191 8.1724 115.6531 54.1725 37.9674 174.0176 135 L 5.0176 7.7334 119.9176 53.2170 43.3200 175.4604 136 E 4.7964 8.8705 125.2785 53.4530 32.0163 173.0885 137 P 4.5454 0.0000 0.0000 63.4580 31.6597 174.8783 138 I 4.5841 8.9644 124.3092 62.5248 38.8854 175.5810 139 N 5.4133 8.0160 117.8023 51.4650 43.2811 172.9063 140 I 4.6642 8.7020 122.2592 59.4116 40.3326 174.1803 141 L 4.7405 8.5793 129.9778 53.4947 43.7690 175.8150 142 L 4.9132 8.1484 126.6162 52.6747 44.5058 175.6527 *144 G 4.0875 8.0739 104.5015 46.6288 0.0000 170.6626 145 Y 5.1555 8.5259 117.6978 55.7411 41.3036 175.1256 146 E 4.4486 9.0699 125.4714 56.7192 29.8127 176.5247 147 S 4.6194 8.9915 121.3814 58.1372 64.1100 175.0423 148 K 4.5535 8.6265 121.6222 56.4517 32.4560 177.0769 149 I 4.2451 8.2335 128.9808 60.0866 38.0574 173.8668 150 P 4.0670 0.0000 0.0000 61.3550 31.8918 176.2525 151 E 3.8675 6.0629 120.0480 55.9199 30.4085 176.8613 152 S 4.2547 8.1306 115.8663 57.2946 63.1054 173.5750 153 P 4.7609 0.0000 0.0000 64.4878 31.0697 176.8339 154 E 4.5663 8.1923 117.6349 56.0191 29.6273 177.8824 155 R 3.8212 7.8138 117.4033 58.4614 30.0942 178.5289 156 H 4.3381 7.6876 115.8678 58.0155 28.9492 176.9959 157 E 3.9519 8.3725 119.4406 58.8109 29.4136 177.6773 158 K 4.2770 8.0352 116.7475 57.3868 32.8641 177.3344 159 T 4.4941 7.6747 106.6442 61.1850 69.4774 173.8532 160 R 4.7456 7.8093 120.3811 54.3054 33.9554 175.5650 161 V 3.8795 8.1442 113.6928 60.4275 32.4840 174.6088 162 P 4.4159 0.0000 0.0000 62.3215 32.0218 177.4563 163 L 3.9462 8.7091 122.9737 58.5371 41.6658 179.6309 164 S 4.1805 8.0676 112.4203 61.0838 62.9092 175.5410 165 E 4.2400 8.1826 121.1545 57.4065 29.5090 176.9242 166 I 4.3670 7.7490 110.4184 60.0472 39.1212 175.5416 167 V 4.2973 7.6793 120.9380 60.9411 33.4358 174.2166 168 S 4.8194 8.1914 119.6644 56.6967 66.2648 171.9581 169 Y 4.6102 8.4649 117.9577 57.2785 39.5090 175.4151 170 E 4.3122 9.3059 129.1622 56.5283 28.3062 174.2142 171 T 4.7248 7.3102 104.6357 58.9118 72.1016 173.6278 172 L 4.4060 8.3888 119.5103 54.6633 41.5857 177.4741 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 N 8.28 4.76 0.00 3.03 3.10 0.00 0.00 5.76 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 3 F 8.74 3.78 0.00 3.31 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 4 V 8.66 3.58 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 0.84 0.00 0.00 0.93 0.00 0.00 5 E 8.37 3.89 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 2.32 2.39 0.00 6 L 7.75 3.80 0.00 1.64 1.48 0.94 1.32 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 7 A 7.50 3.83 1.01 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 8 K 8.27 4.09 0.00 1.95 2.06 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.53 7.81 9 K 7.95 4.07 0.00 1.98 1.96 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.62 1.45 7.81 10 R 7.33 3.94 0.00 1.92 2.06 0.00 3.30 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 11 Y 7.78 4.82 0.00 3.30 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 12 S 8.62 4.56 0.00 3.93 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 13 C 8.47 4.39 0.00 2.40 2.62 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 0.00 0.00 0.00 14 R 8.19 4.20 0.00 1.42 0.81 0.00 2.99 0.00 0.00 2.68 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.29 0.00 15 N 7.38 4.84 0.00 2.75 2.66 0.00 0.00 6.86 7.48 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 16 Y 8.46 5.18 0.00 2.94 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 9.15 4.35 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.00 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 18 D 8.87 4.43 0.00 2.69 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 19 R 8.08 3.92 0.00 1.78 1.98 0.00 2.97 0.00 0.00 2.61 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 20 K 8.51 4.24 0.00 1.83 1.76 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.39 7.81 21 V 8.16 3.95 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 0.76 0.00 0.00 0.82 0.00 0.00 22 E 8.83 4.16 0.00 2.16 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 2.45 2.48 0.00 23 K 8.73 3.90 0.00 1.82 1.82 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.54 7.81 24 E 8.17 3.97 0.00 2.11 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 2.41 2.47 0.00 25 K 7.95 4.02 0.00 1.98 1.85 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.54 7.81 26 L 7.93 3.92 0.00 1.74 1.84 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.41 3.95 0.00 2.04 1.98 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 2.32 2.49 0.00 28 K 7.58 4.19 0.00 1.89 1.87 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.57 7.81 29 V 7.87 3.72 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 0.98 0.00 0.00 0.93 0.00 0.00 30 L 8.14 4.05 0.00 1.84 1.68 0.89 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.21 4.39 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.60 3.85 2.17 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 0.97 0.00 0.00 1.04 0.00 0.00 33 A 7.69 4.02 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 34 R 7.79 4.03 0.00 1.81 2.14 0.00 3.24 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 35 I 7.47 3.80 1.90 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 1.46 0.74 0.94 0.00 0.00 36 A 7.11 3.97 1.10 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 0.00 0.00 37 P 0.00 4.61 0.00 2.15 2.03 0.00 3.59 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 1.94 1.93 0.00 38 T 7.98 4.78 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 1.20 0.00 0.00 39 G 9.43 3.66 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 0.00 0.00 0.00 40 G 8.76 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.13 4.23 0.00 2.78 2.84 0.00 0.00 7.12 7.24 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 42 R 8.11 3.99 0.00 1.92 2.16 0.00 3.74 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.02 0.00 43 Q 8.23 3.90 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 44 P 0.00 4.76 0.00 2.14 2.31 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 45 Q 7.92 4.59 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 46 R 9.05 4.69 0.00 1.87 1.75 0.00 3.08 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 47 L 8.59 5.16 0.00 1.46 1.46 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.33 4.37 1.58 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.60 0.85 0.00 0.00 49 V 8.37 4.01 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 0.73 0.00 0.00 0.87 0.00 0.00 50 I 8.93 4.62 1.87 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.55 0.97 0.00 0.00 51 Q 8.74 4.66 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.82 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 52 E 7.74 4.64 0.00 2.02 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 2.30 2.33 0.00 53 K 8.32 3.88 0.00 1.81 1.79 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.49 7.81 54 E 8.26 3.97 0.00 2.08 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 2.31 2.36 0.00 55 G 8.03 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 0.00 0.00 0.00 56 I 7.98 3.72 1.86 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 1.65 1.14 0.89 0.00 0.00 57 N 8.25 4.33 0.00 2.92 2.85 0.00 0.00 7.10 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.53 4.03 0.00 1.82 1.61 0.00 1.27 0.00 0.00 0.61 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.46 7.81 59 L 8.22 4.08 0.00 1.87 1.69 0.83 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.15 4.41 0.00 3.99 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.70 3.98 0.00 1.84 1.86 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.61 7.81 62 A 8.08 4.59 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 63 A 6.65 4.49 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 64 N 8.41 4.52 0.00 2.47 2.38 0.00 0.00 6.89 7.94 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 65 I 7.98 4.14 1.78 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 1.32 0.52 0.83 0.00 0.00 66 Y 7.92 3.89 0.00 3.47 3.43 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 67 D 8.52 4.40 0.00 2.90 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 68 A 7.86 3.61 0.63 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 0.00 0.00 69 P 0.00 4.45 0.00 2.19 2.20 0.00 3.38 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.14 0.00 70 L 7.31 4.89 0.00 1.66 1.37 0.89 0.96 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 71 A 9.02 4.83 1.07 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 0.00 0.00 72 I 8.48 4.68 1.71 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.69 0.83 0.00 0.00 73 L 8.51 4.15 0.00 1.31 1.15 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.75 4.35 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 0.93 0.00 0.00 0.78 0.00 0.00 75 C 9.12 5.18 0.00 2.96 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 76 G 8.85 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 0.00 0.00 0.00 0.00 77 D 8.96 5.43 0.00 2.73 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 78 K 9.03 4.25 0.00 2.05 1.94 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.64 1.42 7.81 79 D 8.45 4.59 0.00 2.86 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 80 K 7.74 4.48 0.00 1.87 1.85 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.50 7.81 81 V 7.64 3.84 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 0.72 0.00 0.00 1.11 0.00 0.00 82 W 8.77 4.38 0.00 3.40 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 83 T 7.36 4.72 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 1.06 0.00 0.00 84 R 8.34 2.87 0.00 2.01 1.97 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 93 D 8.11 4.49 0.00 2.74 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 94 I 7.60 3.77 2.06 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 1.68 0.98 0.95 0.00 0.00 95 D 8.48 4.42 0.00 2.70 2.75 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 96 T 7.80 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 1.30 0.00 0.00 97 S 8.16 4.53 0.00 4.24 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 0.00 98 I 7.97 3.80 2.03 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 1.45 0.81 0.93 0.00 0.00 99 V 7.48 3.52 2.20 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 0.77 0.00 0.00 0.97 0.00 0.00 100 T 7.83 3.77 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 101 D 8.51 4.86 0.00 3.12 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 0.00 102 H 8.31 4.30 0.00 3.50 3.32 0.00 5.89 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *105 L 7.58 4.24 0.00 1.81 1.82 1.22 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.41 3.94 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 107 A 8.01 3.96 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 0.00 108 T 7.81 4.01 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 109 E 7.96 4.01 0.00 1.99 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 0.00 2.34 2.36 0.00 110 L 7.40 4.47 0.00 1.73 1.70 0.92 1.21 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 0.00 111 G 7.90 4.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 128 E 8.40 3.87 0.00 1.79 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 2.50 2.43 0.00 129 F 7.94 4.40 0.00 3.18 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 0.00 130 S 7.76 3.71 0.00 4.01 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 0.00 131 L 8.04 4.15 0.00 1.68 1.65 0.94 0.89 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 0.00 132 P 0.00 4.59 0.00 2.38 2.20 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 133 D 8.51 4.46 0.00 2.70 2.79 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 0.00 134 N 8.17 4.52 0.00 3.01 3.16 0.00 0.00 6.21 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 0.00 135 L 7.73 5.02 0.00 1.58 1.64 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.87 4.80 0.00 2.06 1.83 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 2.28 2.28 0.00 137 P 0.00 4.55 0.00 2.08 1.99 0.00 3.88 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 138 I 8.96 4.58 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.98 1.13 0.00 0.00 139 N 8.02 5.41 0.00 2.32 2.15 0.00 0.00 6.77 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 0.00 140 I 8.70 4.66 1.82 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.32 0.76 0.00 0.00 141 L 8.58 4.74 0.00 1.36 1.30 0.86 0.63 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 0.00 142 L 8.15 4.91 0.00 1.63 1.33 1.10 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 *144 G 8.07 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 8.53 5.16 0.00 2.98 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 0.00 146 E 9.07 4.45 0.00 2.01 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 2.37 2.55 0.00 147 S 8.99 4.62 0.00 3.92 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 0.00 148 K 8.63 4.55 0.00 1.77 1.38 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.36 7.81 149 I 8.23 4.25 1.80 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 1.38 0.49 0.83 0.00 0.00 150 P 0.00 4.07 0.00 1.75 1.89 0.00 3.65 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 151 E 6.06 3.87 0.00 1.52 1.68 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 2.17 2.03 0.00 152 S 8.13 4.25 0.00 3.77 3.64 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 0.00 153 P 0.00 4.76 0.00 2.08 2.11 0.00 3.74 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 154 E 8.19 4.57 0.00 2.07 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 2.26 2.28 0.00 155 R 7.81 3.82 0.00 1.94 2.14 0.00 2.67 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 1.37 1.36 0.00 156 H 7.69 4.34 0.00 3.12 3.43 0.00 5.84 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.37 3.95 0.00 1.91 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 2.30 2.42 0.00 158 K 8.04 4.28 0.00 1.89 1.82 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.35 7.81 159 T 7.67 4.49 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 0.00 160 R 7.81 4.75 0.00 1.93 1.83 0.00 3.34 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 161 V 8.14 3.88 2.24 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 0.73 0.00 0.00 0.93 0.00 0.00 162 P 0.00 4.42 0.00 2.18 1.98 0.00 3.74 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 2.11 2.08 0.00 163 L 8.71 3.95 0.00 1.76 1.70 0.92 0.89 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 0.00 164 S 8.07 4.18 0.00 4.09 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 0.00 165 E 8.18 4.24 0.00 2.10 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 2.31 0.00 166 I 7.75 4.37 1.85 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 1.26 0.63 0.90 0.00 0.00 167 V 7.68 4.30 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 0.58 0.00 0.00 0.91 0.00 0.00 168 S 8.19 4.82 0.00 4.05 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 0.00 169 Y 8.46 4.61 0.00 2.93 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 0.00 170 E 9.31 4.31 0.00 2.19 2.17 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 2.30 2.28 0.00 171 T 7.31 4.72 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 0.00 172 L 8.39 4.41 0.00 1.65 1.63 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.