NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 S 4.3665 8.3231 115.4121 58.0994 64.2616 172.1090 30 G 3.6845 8.3386 109.7346 44.7638 0.0000 171.4466 31 I 3.7121 8.3774 120.3242 61.4220 38.3037 174.0183 32 S 4.7149 8.5580 119.4982 56.5680 64.1152 173.1994 33 L 4.2173 8.6486 127.2309 55.4303 42.7244 176.4009 34 D 4.3249 7.8468 114.6967 55.5102 38.8462 173.2911 35 N 4.7247 8.0627 114.2026 53.2866 39.8591 175.7461 36 S 4.6428 7.4513 111.7787 55.8861 66.1634 173.4611 37 Y 4.2210 8.3529 119.7655 58.0399 38.1592 176.3266 38 K 4.1790 8.8970 124.7665 57.1872 32.0007 176.0685 39 M 4.8494 8.7656 125.7571 55.2644 32.4609 175.9166 40 D 4.9308 7.9051 116.7362 53.2714 39.9574 176.0617 41 Y 4.2062 7.7717 117.1402 57.7318 38.5753 174.2885 42 P 4.4185 0.0000 0.0000 65.0854 31.7856 177.0145 43 E 4.7646 8.3099 116.4095 54.4059 32.7140 177.0511 44 M 3.8441 8.3231 122.0448 58.1683 32.4567 175.4509 45 G 4.2190 7.4565 102.2653 44.1428 0.0000 172.1875 46 L 4.8704 8.5191 118.6146 54.3544 43.8149 176.3063 47 C 4.5226 8.9427 121.7880 57.5653 33.7893 171.9317 48 I 4.5573 8.2719 127.4916 60.1763 38.4032 174.8280 49 I 4.6596 8.6784 129.1429 59.6822 39.3840 174.9276 50 I 4.5415 8.7853 129.5415 59.9245 38.7749 174.6948 51 N 4.9654 9.3757 128.6248 52.1460 39.8055 173.2160 52 N 4.8663 8.8152 124.6712 51.9079 39.1243 174.5499 53 K 4.3352 9.4501 125.9585 57.0838 33.7893 175.7219 54 N 5.2107 8.0285 114.7653 51.3405 40.3563 173.9926 55 F 4.8356 8.5829 120.9157 55.3262 42.1340 175.0816 56 H 4.3372 8.8777 120.9863 55.8355 29.2950 176.5900 57 K 3.8630 9.0643 125.0617 59.9416 31.6376 178.8383 58 S 4.2192 8.1852 113.0148 61.3200 62.7788 175.8897 59 T 4.2019 8.1664 112.9293 62.1331 68.9638 175.9876 60 G 3.8844 7.9560 108.5923 45.6286 0.0000 173.4006 61 M 4.0318 7.6068 119.2400 54.6905 32.6900 176.1334 62 T 4.4881 7.7459 111.9915 59.8870 70.9421 174.5927 63 S 4.7977 8.3772 116.4361 58.6451 64.1551 174.9452 64 R 4.4402 8.5255 122.4089 53.9473 28.6741 174.9182 65 S 4.2428 8.0486 114.5674 59.8577 63.1029 174.6907 66 G 4.0127 8.9504 115.3428 45.9041 0.0000 175.0764 67 T 3.9016 7.8021 113.8253 65.1220 67.2475 175.7610 68 D 4.3347 8.0940 120.5827 57.0876 40.8202 178.6749 69 V 3.6264 7.6382 119.0636 65.8674 31.4171 177.8709 70 D 4.3187 7.9681 117.9594 57.3252 40.8323 178.2511 71 A 3.9646 8.2442 121.2431 55.3302 18.3935 179.6146 72 A 3.9746 8.1391 119.1589 55.1674 18.4074 179.3890 73 N 4.2572 8.3342 115.6726 56.7397 38.9504 177.1711 74 L 4.0872 8.2633 120.7152 57.7752 41.7777 179.2984 75 R 3.9214 8.0346 118.6303 59.5702 30.1364 178.1833 76 E 3.9463 8.1685 118.8860 59.4577 29.1565 178.8074 77 T 3.7566 8.0259 115.7639 66.8458 68.5893 176.6354 78 F 3.8373 8.5628 119.1359 59.5548 38.9269 177.9490 79 R 3.9917 7.9493 119.2098 59.4722 29.7790 177.8089 80 N 4.6145 7.9800 113.3963 54.7111 38.6586 176.1378 81 L 4.5083 7.1347 119.1233 53.7207 42.1223 176.5255 82 K 3.9695 7.9010 117.2187 57.4939 29.8203 175.5605 83 Y 4.3304 8.1187 115.8934 57.3455 39.3260 175.8264 84 E 4.2927 9.3218 124.6514 55.5018 29.9581 174.9030 85 V 4.4345 8.2241 126.9144 62.1382 32.8289 175.1208 86 R 4.6304 8.8807 126.4903 54.4685 33.1366 173.9771 87 N 5.3925 8.8438 122.5109 51.9881 41.4631 174.0076 88 K 4.7064 8.9353 122.9154 54.8425 36.5362 174.9614 89 N 5.2351 8.7981 121.2015 52.3240 41.2378 174.5311 90 D 4.1679 8.2835 118.9081 55.3094 38.7290 172.8834 91 L 4.7676 8.6791 121.0348 53.1216 44.0869 177.3490 92 T 4.8116 9.2768 115.6573 60.4000 71.2358 176.0419 93 R 3.9906 9.4653 118.5618 59.5049 29.1370 178.9291 94 E 3.9978 8.1096 118.7358 59.3497 29.5798 178.9955 95 E 3.9785 8.1527 118.3161 59.2185 29.4458 179.5320 96 I 3.7156 7.8663 119.9869 64.4280 37.1659 178.6087 97 V 3.7410 7.6974 118.6122 65.9732 31.2927 177.6609 98 E 3.8012 8.4273 119.2500 59.0130 29.4124 178.4186 99 L 3.9063 8.2831 120.7503 58.5813 42.1486 178.9106 100 M 4.1876 8.1259 118.5069 58.2863 31.6805 178.7253 101 R 2.5100 7.2034 117.7261 58.9964 30.5684 177.8663 102 D 4.3848 8.0510 118.9344 57.5064 40.9583 179.1145 103 V 3.6564 7.9551 119.0115 65.9824 31.3350 178.1254 104 S 3.9728 7.8222 112.7864 60.3725 62.8434 175.5608 105 K 4.2440 7.2511 119.6587 55.7749 32.3323 176.6471 106 E 4.0723 7.1333 119.1667 55.7534 30.1205 176.1414 107 D 4.5502 8.2854 120.3815 54.0152 40.8501 175.1543 108 H 4.7722 8.5750 123.5089 55.7758 29.0890 177.3468 109 S 4.0690 8.6015 119.0587 61.7613 62.8204 175.7737 110 K 4.5670 8.0444 116.7530 56.2906 32.0889 175.4542 111 R 5.0234 7.4973 118.7111 54.5702 31.3214 176.9080 112 S 4.1257 9.2041 120.3520 61.5987 63.8493 173.8002 113 S 4.6191 7.9693 112.5869 57.7698 66.6280 173.0722 114 F 5.0749 8.8120 120.8599 56.8467 42.7935 173.9502 115 V 4.0821 7.5486 124.8613 60.8162 34.9314 173.6710 116 C 4.6012 8.0054 126.9515 57.4637 34.8431 172.3851 117 V 4.6649 8.7119 126.6645 61.0373 33.6742 173.9979 118 L 4.9772 9.1252 128.1729 52.9588 44.4197 175.3614 119 L 5.0178 8.3943 124.3592 53.9573 44.2663 175.6127 120 S 4.9114 8.1173 117.5752 58.2309 66.7856 175.1679 121 H 4.6546 8.6978 117.3361 56.2246 29.9913 174.7870 122 G 4.4490 8.3539 106.0689 46.4626 0.0000 171.3851 123 E 4.9494 8.5953 118.1653 54.2162 34.8900 174.9560 124 E 3.9224 8.8826 121.3749 58.0768 29.9111 176.7154 125 G 3.9555 9.0524 112.7455 46.0162 0.0000 172.2746 126 I 5.0551 7.9623 119.7343 59.1564 41.6928 174.1657 127 I 4.7743 8.4321 124.9766 59.2426 41.2787 173.9376 128 F 4.9901 9.0437 128.4238 56.6007 39.9463 176.5557 129 G 4.0684 9.6514 114.6000 44.5567 0.0000 174.1945 130 T 4.0736 8.6317 108.9645 63.4010 68.7961 175.4800 131 N 5.0764 9.2136 117.5387 50.8145 38.1735 173.8998 132 G 4.3579 7.1245 108.3253 44.6303 0.0000 170.2391 133 P 4.4976 0.0000 0.0000 62.3580 32.6483 176.0016 134 V 4.3895 8.4603 120.5423 61.0118 35.0170 174.2872 135 D 4.6833 8.6869 127.9911 54.2359 41.3369 177.3193 136 L 3.9166 8.7891 124.3520 57.8419 41.6113 179.6293 137 K 3.8548 7.8913 120.3231 58.7778 31.8717 178.5531 138 K 3.7333 7.6124 118.9164 59.2916 32.0744 178.7126 139 I 4.1833 7.5121 119.9720 64.7269 36.8962 178.3710 140 T 3.7842 7.9833 110.5028 64.5422 68.6119 176.3877 141 N 4.3239 8.1944 119.5930 56.1854 38.2172 177.1133 142 F 4.1978 7.2578 118.0126 59.6342 38.8799 176.0332 143 F 4.6877 7.7659 114.9565 56.9108 39.2906 176.2065 144 R 4.1102 7.8955 121.2868 56.1810 30.4074 177.8658 145 G 3.8222 8.8346 109.8305 48.4612 0.0000 174.0787 146 D 4.6512 8.0044 116.6354 53.7465 40.2901 177.0946 147 R 4.3716 7.9004 117.8988 56.7367 31.3628 176.0926 148 C 4.6821 7.5163 117.4397 56.7182 31.8903 173.8853 149 R 4.5493 8.4708 123.7678 58.1206 30.1205 178.6167 150 S 4.4734 8.0354 109.6580 59.2476 63.3684 174.2241 151 L 4.6026 7.8279 120.3521 54.4822 43.1089 176.4102 152 T 3.9959 7.5521 117.2239 65.1822 68.6262 175.2831 153 G 4.1003 9.1144 114.0374 45.3414 0.0000 173.0138 154 K 4.5457 7.8260 118.9806 53.2891 34.7314 174.1741 155 P 4.1031 0.0000 0.0000 62.7594 32.4201 175.1123 156 K 4.7591 8.6909 123.4722 54.7614 34.1296 175.1420 157 L 4.6059 8.7003 126.5084 52.8889 43.8065 175.8110 158 F 4.8613 8.8567 122.4085 55.7511 41.5009 174.7374 159 I 4.3623 8.6262 126.0477 59.7468 38.9187 174.9815 160 I 4.8077 8.4466 128.2607 59.6866 39.6574 175.4160 161 Q 4.4857 8.8617 130.6122 55.1858 29.5031 173.9969 162 A 4.8035 7.9426 125.2402 51.1598 21.8298 175.4651 163 C 4.3542 8.9603 117.1673 59.7384 29.1160 173.9260 164 R 4.5893 9.5534 118.3157 54.0969 31.3205 176.5931 165 G 3.9194 6.9580 105.4327 45.9656 0.0000 173.5614 166 T 4.5877 7.9715 113.0239 61.3000 69.2145 173.6868 167 E 4.3473 8.0988 120.5543 56.3258 30.4512 175.8845 168 L 4.6763 8.1800 120.7789 52.9215 44.6593 175.7616 169 D 4.7030 8.5220 122.6456 52.7460 41.2896 176.0479 170 C 4.1217 8.7268 122.2879 58.6518 30.1005 174.6224 171 G 3.9764 8.4619 111.3595 44.7484 0.0000 172.4897 172 I 4.5766 7.7401 117.0149 58.5730 40.9897 174.1104 173 E 3.9656 8.8395 128.1675 56.6648 29.9755 176.5018 174 T 4.3466 8.2198 119.0262 60.7699 71.5444 174.9593 *175 D 4.4254 8.4565 119.3571 53.8462 40.5341 171.0270 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 29 S 8.32 4.37 0.00 3.99 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 30 G 8.34 3.68 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 31 I 8.38 3.71 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 1.30 0.45 0.91 0.00 0.00 32 S 8.56 4.71 0.00 3.79 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.65 4.22 0.00 1.66 1.68 0.91 1.08 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 34 D 7.85 4.32 0.00 2.77 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 35 N 8.06 4.72 0.00 2.72 2.80 0.00 0.00 6.95 7.57 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 36 S 7.45 4.64 0.00 3.94 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 37 Y 8.35 4.22 0.00 3.08 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 38 K 8.90 4.18 0.00 1.80 2.00 0.00 1.58 0.00 0.00 1.45 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.48 7.81 39 M 8.77 4.85 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.78 0.00 40 D 7.91 4.93 0.00 2.73 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.77 4.21 0.00 3.14 3.15 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 42 P 0.00 4.42 0.00 2.09 2.16 0.00 4.00 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 43 E 8.31 4.76 0.00 2.09 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 2.20 2.24 0.00 44 M 8.32 3.84 0.00 0.76 1.70 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.30 0.00 45 G 7.46 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.52 4.87 0.00 1.85 1.68 1.16 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 47 C 8.94 4.52 0.00 2.45 2.57 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 0.00 0.00 0.00 0.00 48 I 8.27 4.56 1.77 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.38 0.93 0.00 0.00 49 I 8.68 4.66 1.95 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 1.11 0.87 0.91 0.00 0.00 50 I 8.79 4.54 1.89 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 1.13 0.70 0.93 0.00 0.00 51 N 9.38 4.97 0.00 2.76 2.98 0.00 0.00 6.80 6.66 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 52 N 8.82 4.87 0.00 2.83 2.35 0.00 0.00 6.79 7.06 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 53 K 9.45 4.34 0.00 1.71 1.72 0.00 1.61 0.00 0.00 1.90 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.58 7.81 54 N 8.03 5.21 0.00 2.80 2.71 0.00 0.00 6.72 7.45 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 55 F 8.58 4.84 0.00 2.99 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 56 H 8.88 4.34 0.00 3.33 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.06 3.86 0.00 1.84 1.85 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.54 7.81 58 S 8.19 4.22 0.00 4.10 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 59 T 8.17 4.20 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 1.38 0.00 0.00 60 G 7.96 3.88 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 0.00 0.00 0.00 61 M 7.61 4.03 0.00 1.32 1.67 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.04 0.00 62 T 7.75 4.49 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 1.17 0.00 0.00 63 S 8.38 4.80 0.00 4.13 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 64 R 8.53 4.44 0.00 1.97 1.94 0.00 2.95 0.00 0.00 3.54 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 65 S 8.05 4.24 0.00 3.84 3.80 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 66 G 8.95 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 0.00 0.00 0.00 67 T 7.80 3.90 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 68 D 8.09 4.33 0.00 2.73 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 69 V 7.64 3.63 2.25 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 1.04 0.00 0.00 0.94 0.00 0.00 70 D 7.97 4.32 0.00 2.95 2.71 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 71 A 8.24 3.96 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 72 A 8.14 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.33 4.26 0.00 2.97 2.95 0.00 0.00 7.21 6.20 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 74 L 8.26 4.09 0.00 1.92 1.79 0.95 1.15 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 75 R 8.03 3.92 0.00 2.00 2.11 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 76 E 8.17 3.95 0.00 2.16 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 0.00 2.30 2.39 0.00 77 T 8.03 3.76 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 78 F 8.56 3.84 0.00 3.12 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 79 R 7.95 3.99 0.00 2.13 2.16 0.00 3.11 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 80 N 7.98 4.61 0.00 2.89 2.85 0.00 0.00 7.04 7.19 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 81 L 7.13 4.51 0.00 1.87 1.95 0.57 0.86 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 82 K 7.90 3.97 0.00 1.86 1.92 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.53 7.81 83 Y 8.12 4.33 0.00 3.16 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 9.32 4.29 0.00 2.03 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 2.27 0.00 85 V 8.22 4.43 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 1.11 0.00 0.00 86 R 8.88 4.63 0.00 1.76 1.78 0.00 3.18 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 87 N 8.84 5.39 0.00 2.68 2.67 0.00 0.00 6.98 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 88 K 8.94 4.71 0.00 1.64 1.61 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.55 7.81 89 N 8.80 5.24 0.00 2.54 2.66 0.00 0.00 7.30 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 90 D 8.28 4.17 0.00 2.66 2.53 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 91 L 8.68 4.77 0.00 1.66 1.56 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 92 T 9.28 4.81 4.54 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 1.22 0.00 0.00 93 R 9.47 3.99 0.00 2.03 2.45 0.00 2.82 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.70 0.00 94 E 8.11 4.00 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 95 E 8.15 3.98 0.00 2.19 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 2.33 2.36 0.00 96 I 7.87 3.72 2.08 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 1.45 0.93 0.99 0.00 0.00 97 V 7.70 3.74 2.28 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 1.27 0.00 0.00 1.10 0.00 0.00 98 E 8.43 3.80 0.00 2.16 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 2.25 2.28 0.00 99 L 8.28 3.91 0.00 1.84 1.92 0.94 0.96 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 0.00 100 M 8.13 4.19 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 3.02 0.00 101 R 7.20 2.51 0.00 0.84 1.71 0.00 3.24 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.27 0.00 102 D 8.05 4.38 0.00 2.87 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.96 3.66 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 1.26 0.00 0.00 1.08 0.00 0.00 104 S 7.82 3.97 0.00 3.44 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 0.00 105 K 7.25 4.24 0.00 1.83 1.81 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.47 7.81 106 E 7.13 4.07 0.00 2.07 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 107 D 8.29 4.55 0.00 2.60 2.57 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 0.00 0.00 0.00 0.00 108 H 8.57 4.77 0.00 3.32 3.24 0.00 5.70 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.60 4.07 0.00 3.89 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 0.00 110 K 8.04 4.57 0.00 1.81 1.87 0.00 1.71 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.42 7.81 111 R 7.50 5.02 0.00 1.77 1.80 0.00 3.20 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 112 S 9.20 4.13 0.00 3.82 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 0.00 113 S 7.97 4.62 0.00 4.03 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 0.00 114 F 8.81 5.07 0.00 2.97 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 0.00 115 V 7.55 4.08 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 0.05 0.00 0.00 0.33 0.00 0.00 116 C 8.01 4.60 0.00 2.32 1.81 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 0.00 117 V 8.71 4.66 1.92 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 0.98 0.00 0.00 0.58 0.00 0.00 118 L 9.13 4.98 0.00 1.61 1.60 1.03 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.39 5.02 0.00 1.58 1.59 0.98 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.12 4.91 0.00 4.01 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 0.00 121 H 8.70 4.65 0.00 2.92 2.96 0.00 5.71 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 0.00 122 G 8.35 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.60 4.95 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 124 E 8.88 3.92 0.00 2.10 1.88 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 2.29 2.38 0.00 125 G 9.05 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 0.00 126 I 7.96 5.06 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.24 0.37 0.00 0.00 127 I 8.43 4.77 1.88 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 1.29 1.64 1.00 0.00 0.00 128 F 9.04 4.99 0.00 3.28 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 0.00 129 G 9.65 4.07 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 0.00 130 T 8.63 4.07 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 0.96 0.00 0.00 131 N 9.21 5.08 0.00 2.83 2.71 0.00 0.00 5.94 7.00 0.00 0.00 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 G 7.12 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 4.50 0.00 1.75 1.30 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 134 V 8.46 4.39 2.18 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 1.07 0.00 0.00 0.95 0.00 0.00 135 D 8.69 4.68 0.00 2.62 2.52 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 0.00 0.00 0.00 0.00 136 L 8.79 3.92 0.00 1.63 1.64 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.89 3.85 0.00 1.79 1.72 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.33 7.81 138 K 7.61 3.73 0.00 1.73 1.91 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.28 7.81 139 I 7.51 4.18 2.06 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 1.86 0.76 1.21 0.00 0.00 140 T 7.98 3.78 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 0.27 0.00 0.00 141 N 8.19 4.32 0.00 2.43 2.66 0.00 0.00 6.87 7.68 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 0.00 142 F 7.26 4.20 0.00 2.79 2.42 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 0.00 143 F 7.77 4.69 0.00 3.34 3.13 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 0.00 0.00 0.00 0.00 144 R 7.90 4.11 0.00 1.96 2.03 0.00 3.19 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 145 G 8.83 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 0.00 146 D 8.00 4.65 0.00 2.79 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 0.00 147 R 7.90 4.37 0.00 1.78 1.99 0.00 3.24 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 148 C 7.52 4.68 0.00 2.94 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 0.00 149 R 8.47 4.55 0.00 1.88 1.98 0.00 3.75 0.00 0.00 3.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.53 0.00 150 S 8.04 4.47 0.00 3.99 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 0.00 151 L 7.83 4.60 0.00 1.85 1.68 0.72 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 152 T 7.55 4.00 4.32 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 1.25 0.00 0.00 153 G 9.11 4.10 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 0.00 154 K 7.83 4.55 0.00 1.80 1.73 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.13 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.30 7.81 155 P 0.00 4.10 0.00 1.85 1.24 0.00 3.47 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.52 0.00 156 K 8.69 4.76 0.00 1.78 1.97 0.00 1.96 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.40 1.65 7.81 157 L 8.70 4.61 0.00 1.23 1.45 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.86 4.86 0.00 2.85 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 0.00 159 I 8.63 4.36 1.79 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 1.07 0.81 0.92 0.00 0.00 160 I 8.45 4.81 1.91 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 1.28 0.56 0.95 0.00 0.00 161 Q 8.86 4.49 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 162 A 7.94 4.80 1.32 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 0.00 0.00 163 C 8.96 4.35 0.00 3.18 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 0.00 164 R 9.55 4.59 0.00 1.75 2.06 0.00 3.35 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 165 G 6.96 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 0.00 0.00 0.00 166 T 7.97 4.59 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 167 E 8.10 4.35 0.00 1.99 1.92 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 2.30 2.33 0.00 168 L 8.18 4.68 0.00 1.58 1.53 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.52 4.70 0.00 2.63 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 0.00 170 C 8.73 4.12 0.00 3.12 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 0.00 171 G 8.46 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 0.00 172 I 7.74 4.58 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 1.30 0.93 0.91 0.00 0.00 173 E 8.84 3.97 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 174 T 8.22 4.35 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *175 D 8.46 4.43 0.00 2.47 2.52 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.