NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5888 8.3049 120.3536 55.4599 33.3205 174.3791 2 S 4.9488 9.2700 121.6679 56.3651 66.5169 171.4011 3 K 4.8535 9.3790 122.2900 54.7623 34.9767 175.0381 4 V 4.5345 8.8992 125.3997 60.9195 34.0018 173.8163 5 L 4.9159 8.9308 130.1571 53.1850 44.4639 174.8425 6 V 4.5329 8.6938 126.5801 61.0202 34.1904 173.9558 7 L 4.9117 8.9254 128.6357 53.0897 43.6114 175.5733 8 K 4.7919 8.6691 124.5387 54.9452 33.9423 177.6532 9 S 4.5068 8.4206 114.9850 57.2562 64.6539 174.3391 10 S 4.2756 8.0138 116.1395 58.8471 62.5656 173.3802 11 I 4.3443 8.4939 118.8267 60.9666 37.8420 175.9691 12 L 4.5022 8.3716 120.4247 53.9393 42.9361 177.6279 13 A 3.5208 7.7603 124.6200 52.7289 17.9459 181.6212 14 G 3.4607 8.8575 107.3247 50.7933 0.0000 173.1846 15 Y 4.4231 7.7633 115.7017 57.8657 38.4197 176.0254 16 S 4.2956 8.1876 116.9452 58.2377 63.6037 174.7008 17 Q 4.0274 8.7372 128.7869 59.2017 28.7877 178.7861 18 S 4.2953 8.1359 114.9508 61.3041 63.1169 176.5692 19 G 3.6253 8.4592 109.7357 47.4600 0.0000 175.8244 20 Q 4.1032 7.9813 120.0453 58.7584 28.6875 178.6988 21 L 4.1860 7.9005 120.2299 57.8721 41.6920 179.5838 22 T 3.9794 8.1759 109.9660 64.8078 68.6289 176.5067 23 D 4.4975 8.2687 121.8251 57.3176 40.7968 178.0662 24 Y 4.1149 8.1968 120.1201 60.5232 38.7407 177.7639 25 F 3.8729 8.5640 121.6227 61.3981 39.4473 177.1177 26 I 3.8650 8.1976 119.5187 64.3388 36.9902 177.8675 27 E 3.8915 8.4132 120.3561 59.6409 29.4532 179.0553 28 Q 3.7778 7.8121 117.9634 58.4437 28.6521 178.5352 29 W 3.7143 8.3462 129.8835 60.4742 30.9110 178.3713 30 R 4.1854 8.4776 118.3610 59.0509 29.1914 178.7440 31 E 3.9623 7.7230 118.2346 59.0376 29.7213 178.4480 32 K 4.0297 7.6081 118.6551 57.9417 33.6050 176.4339 33 H 4.7036 8.0173 117.7490 53.2085 28.7270 174.4564 34 V 3.8285 8.3029 115.6390 62.7876 31.8144 177.1268 35 A 4.4751 7.7833 120.4489 52.5551 19.6520 176.9570 36 D 4.7725 7.8807 116.1498 54.4390 41.8233 175.8886 37 E 4.5550 8.6506 122.2186 55.3926 31.3145 175.1360 38 I 4.9559 8.4206 124.7882 59.7893 39.8142 174.9253 39 T 4.6276 9.0792 123.8339 61.6189 71.2979 173.2060 40 V 4.6849 8.4169 125.7285 60.9407 34.1023 174.3529 41 R 4.4104 8.9902 128.6881 54.5901 32.5418 173.9756 42 D 4.8701 8.5218 127.4476 52.9800 41.8527 176.4821 43 L 4.2929 9.1528 126.9340 56.2866 42.0220 179.0691 44 A 4.1955 8.1917 121.1281 53.8904 20.0820 178.4097 45 A 4.1672 8.5450 118.0132 54.6272 18.6069 177.5079 46 N 4.9601 8.0676 113.4809 49.9773 38.7833 172.0437 47 P 4.6554 0.0000 0.0000 62.0557 32.3589 176.8296 48 V 4.2835 7.9909 120.2530 60.3691 32.9989 173.9721 49 P 4.4609 0.0000 0.0000 62.2883 31.9123 176.1395 50 V 3.9068 7.9716 118.9146 61.9671 32.0096 175.4965 51 L 4.1137 8.4979 129.2222 54.9472 42.0254 175.0802 52 D 5.1212 8.3369 125.9848 50.7662 42.9060 176.3743 53 G 3.6790 8.7721 104.3828 48.3201 0.0000 175.2336 54 E 3.9776 8.1600 121.2803 58.9728 29.7300 178.7749 55 L 4.0520 8.5577 119.5654 57.6793 41.4996 179.8302 56 V 3.8203 7.9891 118.5979 64.6643 31.6238 178.4233 57 G 3.7057 8.1372 106.0169 47.5085 0.0000 175.6059 58 A 4.1191 7.5334 122.3392 55.0530 18.4188 178.7746 59 M 4.4348 7.5216 114.1091 54.7369 33.2777 177.2727 60 R 4.4020 7.4392 110.0309 55.6384 31.3425 173.5941 *64 A 4.1320 7.6591 122.8300 51.6761 20.2675 175.1662 65 P 4.4234 0.0000 0.0000 62.6337 32.0584 176.2612 66 L 4.7894 8.0804 120.9858 53.4806 43.5975 177.4027 67 T 4.2710 8.5574 112.9188 60.6758 71.0322 174.1736 68 P 4.2700 0.0000 0.0000 65.6601 31.3218 178.8867 69 R 3.8800 7.9456 116.9774 59.6438 30.0064 178.4626 70 Q 4.0033 8.0815 117.7784 58.9044 28.6553 178.4642 71 Q 3.9488 8.5150 120.9986 59.3894 29.0540 178.1780 72 D 4.3323 8.5659 120.0454 57.3531 40.7745 178.6938 73 A 3.9901 8.1167 121.3227 54.9860 18.3153 179.4700 74 L 3.8889 8.2350 118.8764 58.1907 42.1094 179.0798 75 A 3.9783 8.2305 120.9387 54.9618 18.2559 179.4161 76 L 3.8831 8.0872 119.0462 58.2211 42.1236 178.9950 77 S 4.0636 8.3904 113.4968 61.5821 62.2540 175.8795 78 D 4.3211 8.2558 121.5193 57.2819 40.4969 178.3725 79 E 3.9236 8.2747 119.7698 59.3541 29.6381 178.8435 80 L 4.0712 8.2980 119.3051 57.9249 41.6488 179.6888 81 I 3.6782 8.0103 119.5805 64.3456 37.0665 178.3470 82 A 3.9840 8.3819 122.0617 55.0102 17.9421 179.2944 83 E 3.8912 8.2168 117.0480 59.3251 29.9527 178.4336 84 L 4.1571 8.1212 120.3759 58.3747 42.0046 179.2355 85 K 4.0195 8.1250 116.5550 58.9760 32.0241 178.6457 86 A 4.1922 7.8413 119.5520 52.8626 18.7790 176.8398 87 H 4.8183 7.2070 114.0878 54.3501 31.3812 174.2342 88 D 4.6663 8.8985 121.2093 55.4654 42.8941 176.7939 89 V 4.7107 7.5729 118.4436 60.9506 34.3035 174.3780 90 I 4.6661 8.6922 129.4773 59.6461 39.5067 174.6641 91 V 4.3199 8.7131 128.4878 61.0436 33.4295 174.3935 92 I 4.7437 8.7221 128.9520 59.2919 39.8976 174.5282 93 A 4.5968 8.6164 130.0580 51.1234 19.3391 177.7207 94 A 4.6119 8.8844 125.3736 49.6007 18.9697 173.3064 95 P 4.6750 0.0000 0.0000 62.1400 33.4029 176.4543 96 M 4.5802 8.3176 120.4296 54.4118 33.2285 174.8682 97 Y 4.7357 8.9753 125.0232 57.0965 39.9347 175.8195 98 N 3.9834 9.5066 124.3286 54.4275 36.2208 175.1220 99 F 3.9068 7.8514 111.5811 57.9625 37.0766 174.1036 100 N 5.0491 8.0430 119.6291 51.5039 41.9863 173.2012 101 I 4.5277 7.9242 113.1197 58.8999 39.3291 174.1490 102 P 4.2951 0.0000 0.0000 62.5565 32.8830 178.0185 103 T 3.9224 8.5596 117.7254 66.7094 67.9359 176.8988 104 Q 3.9358 8.0505 119.8416 58.8042 28.7223 178.4060 105 L 3.6048 7.4651 120.6729 57.4557 42.1807 178.4215 106 K 3.7994 7.8432 119.6197 59.6630 32.0472 178.4294 107 N 4.3199 8.3919 116.8996 56.3382 38.5187 176.7001 108 Y 4.1393 7.4641 120.5609 60.8260 39.0520 178.1745 109 F 4.4871 8.0986 118.6121 60.9019 38.7376 177.4737 110 D 4.5472 8.4117 117.4123 56.7547 40.6338 177.9840 111 L 4.3951 7.5727 117.7249 55.6446 42.1902 177.9403 112 I 4.3227 7.5376 110.8959 60.8208 38.7683 175.7442 113 A 4.5568 7.8212 123.3815 51.1355 17.3863 175.9441 114 R 4.5954 8.9046 119.5305 54.3241 33.8855 175.5664 115 A 2.6542 8.3229 125.5459 53.3269 18.7197 178.3979 116 G 3.9612 8.5151 112.0629 45.3344 0.0000 174.0145 117 I 4.1438 6.9055 116.9052 62.7836 38.7929 176.6317 118 T 4.6156 7.5024 108.0535 61.3532 70.2638 173.3583 119 F 5.1311 7.2669 116.0866 56.5023 41.1101 172.8093 120 R 4.6543 8.6229 116.1223 55.6948 33.4238 172.7323 121 Y 5.1483 8.4796 116.4387 56.5875 40.5473 175.6623 122 T 4.7907 8.6335 113.8089 59.6349 71.8789 173.8330 123 E 3.9071 8.8575 120.6538 59.1980 29.5507 177.9646 124 K 4.2276 7.7412 115.6273 56.1538 32.9792 176.2447 125 G 3.9451 8.1664 106.0019 43.1610 0.0000 170.7917 126 P 4.3364 0.0000 0.0000 62.8851 31.8372 175.1447 127 E 4.3923 9.1738 122.8336 54.0938 32.7996 174.8049 128 G 3.7864 8.6025 114.2968 46.4242 0.0000 173.1075 129 L 4.5130 8.7417 122.0438 54.3816 42.9400 177.3714 130 V 4.1823 8.2367 121.8418 61.5441 31.1946 175.0344 131 T 4.3914 8.1295 117.0060 60.3020 71.0962 175.6994 132 G 3.9737 8.5456 108.1848 46.2270 0.0000 173.8053 133 K 4.5602 7.2746 118.4076 55.3661 33.7438 176.3809 134 R 4.5786 8.6636 122.7010 54.7013 32.3565 174.3613 135 A 5.2097 9.0424 128.5931 50.1255 22.6474 175.1273 136 V 4.5347 8.5172 119.6339 61.1171 35.0527 174.2657 137 V 4.4354 8.5930 128.5194 61.1809 33.5648 174.2654 138 L 4.9535 8.8775 128.7541 53.2227 43.8053 175.3246 139 S 5.1770 9.1314 120.1802 55.4339 65.0493 172.7671 140 S 5.4836 8.6643 121.8044 56.9821 65.5910 173.2710 141 R 4.8197 9.0069 120.5644 54.5590 34.2321 176.4936 142 G 3.3493 9.0367 110.1525 49.0049 0.0000 173.1102 143 G 3.7398 7.6908 107.9514 44.3383 0.0000 172.1917 144 I 4.7419 8.3725 122.0756 60.1543 38.7190 174.7865 145 H 4.8115 9.3236 122.3016 55.3815 31.1541 174.4246 146 K 3.6683 8.3374 120.0886 58.1739 32.0328 175.6366 147 D 4.4342 8.7393 123.9722 55.3269 38.5359 173.1687 148 T 4.7274 7.6099 108.2189 58.9154 71.5383 172.9938 149 P 4.4285 0.0000 0.0000 64.6575 31.3146 177.4333 150 T 4.1252 7.6723 107.2257 61.7629 69.2057 174.5635 151 D 4.7547 7.7836 122.4611 53.3736 40.4822 175.8966 152 L 4.6541 8.1778 125.5556 54.6099 42.8640 178.2700 153 I 4.0561 7.8778 113.6233 63.7763 37.8393 177.7909 154 A 4.0031 8.5662 122.5737 54.5637 18.2844 177.7899 155 P 4.2000 0.0000 0.0000 65.8606 31.4149 178.2180 156 Y 4.2496 8.2085 118.3216 60.8029 38.6776 178.0681 157 L 3.7114 8.6163 120.2956 57.4969 41.6612 179.4389 158 K 4.0850 8.3559 119.6388 59.5179 32.2002 179.1182 159 V 3.5681 7.8899 118.4957 65.8601 30.9831 177.7510 160 F 3.7973 8.3533 120.7096 61.2611 39.2078 176.9821 161 L 3.8757 8.0781 118.8589 57.7502 41.3946 179.8280 162 G 3.5545 8.2335 105.7151 47.7176 0.0000 175.4149 163 F 3.8842 7.8735 122.3451 60.4957 39.5518 176.2873 164 I 4.1846 6.9103 109.8591 60.6544 37.5729 176.9030 165 G 3.8901 7.6319 107.8042 46.3952 0.0000 174.6888 166 I 4.0862 7.5353 121.2189 60.4351 35.8178 175.1376 167 T 4.2634 8.0860 115.0159 61.8789 70.1865 175.1393 168 D 4.6589 7.7401 122.8886 52.7806 40.8902 173.4178 169 V 4.6775 7.9626 122.1622 60.6025 34.3858 173.6943 170 N 4.8909 9.0549 126.2557 51.9543 40.3569 173.9250 171 F 4.8589 8.8758 122.7396 55.7923 40.8204 175.2971 172 V 4.5138 8.7072 123.9933 61.0253 34.0640 174.2344 173 F 5.4743 9.0592 125.0219 55.8483 42.4920 175.1945 174 A 4.6116 9.1470 123.0372 50.6143 21.0069 174.8946 175 E 4.9747 8.7679 119.3019 55.9187 33.2499 176.5972 176 G 3.6378 8.7169 107.2065 46.1058 0.0000 175.6639 177 I 3.5095 7.3302 121.9139 64.2712 37.0687 176.9438 178 A 4.3155 7.8222 120.2053 52.8708 18.2265 176.8558 179 Y 4.9396 7.6704 114.1762 58.4195 38.5610 176.4977 180 G 4.1496 8.3560 106.4180 44.2806 0.0000 173.7282 181 P 4.2644 0.0000 0.0000 65.6853 31.0353 178.7850 182 E 3.9190 8.0785 117.8734 59.3398 29.6183 179.0808 183 V 3.6074 7.8346 117.4402 65.9333 31.5988 177.6414 184 A 3.9634 8.2296 120.2326 55.2322 18.2949 179.3233 185 A 3.9213 8.1741 119.3774 55.4071 18.4226 179.8392 186 K 3.9626 8.2378 117.7533 59.2286 32.2055 179.0688 187 A 4.0113 7.9907 121.4044 55.2905 18.2655 179.6633 188 Q 3.9444 8.3482 116.5125 58.9137 28.7284 178.8588 189 A 3.9147 7.9673 121.8586 55.3293 18.4520 179.4921 190 D 4.3775 8.2397 117.1831 57.1644 40.7812 178.9152 191 A 4.1001 8.0859 121.6560 55.0620 18.3256 179.8424 192 K 3.8896 8.4168 117.2491 59.4390 32.0037 179.4779 193 A 4.2974 8.3846 122.3157 54.5919 18.4194 179.5562 194 A 4.0494 8.0978 119.3787 55.4305 18.3692 179.9977 195 I 3.9484 8.2011 118.6296 64.5475 36.8806 178.3167 196 D 4.3828 8.6184 120.2811 57.5046 40.5782 179.0345 197 S 4.2179 8.1396 115.5922 61.5198 62.6240 176.8827 198 V 3.6685 7.5285 119.2613 66.1662 31.4251 177.8926 199 V 3.6898 7.9119 116.6385 65.9943 31.3816 177.5383 200 A 4.0110 8.1692 119.4532 54.4296 18.3345 177.6817 201 A 4.2599 8.0398 123.3023 52.8057 18.5906 177.1540 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 8.30 4.59 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.78 0.00 2 S 9.27 4.95 0.00 4.23 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 3 K 9.38 4.85 0.00 1.57 1.55 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.39 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 1.32 7.81 4 V 8.90 4.53 1.87 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 0.52 0.00 0.00 0.21 0.00 0.00 5 L 8.93 4.92 0.00 1.36 1.33 0.81 0.60 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 6 V 8.69 4.53 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.79 0.00 0.00 7 L 8.93 4.91 0.00 1.28 1.15 0.47 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.67 4.79 0.00 1.62 1.63 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.28 7.81 9 S 8.42 4.51 0.00 3.73 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 10 S 8.01 4.28 0.00 3.88 3.83 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 11 I 8.49 4.34 1.91 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.76 1.04 0.00 0.00 12 L 8.37 4.50 0.00 1.82 1.83 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.76 3.52 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 14 G 8.86 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 0.00 0.00 0.00 15 Y 7.76 4.42 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.19 4.30 0.00 3.96 3.84 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 17 Q 8.74 4.03 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 18 S 8.14 4.30 0.00 4.01 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 19 G 8.46 3.63 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 0.00 20 Q 7.98 4.10 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 21 L 7.90 4.19 0.00 1.93 1.80 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.18 3.98 4.20 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 0.00 0.00 0.00 1.24 0.00 0.00 23 D 8.27 4.50 0.00 2.98 2.82 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 24 Y 8.20 4.11 0.00 3.12 3.23 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 0.00 25 F 8.56 3.87 0.00 3.38 3.19 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 26 I 8.20 3.87 2.08 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 1.48 0.82 0.97 0.00 0.00 27 E 8.41 3.89 0.00 2.00 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 0.00 2.19 2.33 0.00 28 Q 7.81 3.78 0.00 1.74 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 1.28 1.65 0.00 29 W 8.35 3.71 0.00 3.27 3.05 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 0.00 0.00 0.00 30 R 8.48 4.19 0.00 2.12 1.99 0.00 3.22 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.86 0.00 31 E 7.72 3.96 0.00 2.03 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 2.23 2.25 0.00 32 K 7.61 4.03 0.00 1.46 1.37 0.00 1.42 0.00 0.00 1.04 0.00 0.00 2.97 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.52 1.07 7.81 33 H 8.02 4.70 0.00 3.07 3.16 0.00 5.68 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.30 3.83 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 0.82 0.00 0.00 0.92 0.00 0.00 35 A 7.78 4.48 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.88 4.77 0.00 3.06 2.94 0.00 0.00 0.00 0.00 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3.23 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 115 A 8.32 2.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.52 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 0.00 117 I 6.91 4.14 1.85 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 1.40 0.89 0.86 0.00 0.00 118 T 7.50 4.62 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 1.21 0.00 0.00 119 F 7.27 5.13 0.00 2.51 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 0.00 120 R 8.62 4.65 0.00 1.77 1.89 0.00 2.66 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.52 0.00 121 Y 8.48 5.15 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 0.00 122 T 8.63 4.79 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 1.19 0.00 0.00 123 E 8.86 3.91 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 2.30 2.35 0.00 124 K 7.74 4.23 0.00 1.82 1.83 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.38 7.81 125 G 8.17 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.34 0.00 1.88 2.17 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 127 E 9.17 4.39 0.00 1.86 1.64 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 2.08 2.14 0.00 128 G 8.60 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.74 4.51 0.00 1.49 1.62 0.82 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.24 4.18 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 0.96 0.00 0.00 0.94 0.00 0.00 131 T 8.13 4.39 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 1.16 0.00 0.00 132 G 8.55 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.27 4.56 0.00 1.63 1.71 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.51 7.81 134 R 8.66 4.58 0.00 1.89 1.76 0.00 3.14 0.00 0.00 3.31 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 135 A 9.04 5.21 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.52 4.53 1.64 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 0.83 0.00 0.00 0.90 0.00 0.00 137 V 8.59 4.44 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.56 0.00 0.00 138 L 8.88 4.95 0.00 1.49 1.54 0.87 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 139 S 9.13 5.18 0.00 3.82 3.61 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 0.00 140 S 8.66 5.48 0.00 3.96 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 0.00 141 R 9.01 4.82 0.00 1.94 1.87 0.00 3.44 0.00 0.00 3.58 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 142 G 9.04 3.35 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 0.00 143 G 7.69 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.37 4.74 1.97 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.89 0.99 0.00 0.00 145 H 9.32 4.81 0.00 3.20 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 K 8.34 3.67 0.00 1.28 1.58 0.00 1.01 0.00 0.00 1.40 0.00 0.00 2.55 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.07 0.39 7.81 147 D 8.74 4.43 0.00 2.80 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 0.00 148 T 7.61 4.73 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 1.30 0.00 0.00 149 P 0.00 4.43 0.00 2.04 2.13 0.00 3.67 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 2.01 2.06 0.00 150 T 7.67 4.13 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 151 D 7.78 4.75 0.00 2.78 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 0.00 152 L 8.18 4.65 0.00 1.74 1.68 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 153 I 7.88 4.06 2.07 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 1.82 1.01 1.04 0.00 0.00 154 A 8.57 4.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.20 0.00 2.23 2.14 0.00 3.76 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 2.23 2.13 0.00 156 Y 8.21 4.25 0.00 3.08 3.33 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 0.00 157 L 8.62 3.71 0.00 2.17 1.86 1.15 1.12 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 0.00 158 K 8.36 4.09 0.00 2.06 2.06 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.61 7.81 159 V 7.89 3.57 2.26 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 0.95 0.00 0.00 1.05 0.00 0.00 160 F 8.35 3.80 0.00 2.74 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 8.08 3.88 0.00 1.75 1.75 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 162 G 8.23 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 F 7.87 3.88 0.00 2.92 2.82 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 0.00 164 I 6.91 4.18 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.89 0.71 0.00 0.00 165 G 7.63 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 0.00 0.00 0.00 166 I 7.54 4.09 1.91 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 1.31 0.55 0.85 0.00 0.00 167 T 8.09 4.26 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 1.17 0.00 0.00 168 D 7.74 4.66 0.00 2.82 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 0.00 169 V 7.96 4.68 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 0.15 0.00 0.00 0.84 0.00 0.00 170 N 9.05 4.89 0.00 2.60 2.74 0.00 0.00 6.47 7.85 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 0.00 171 F 8.88 4.86 0.00 2.97 2.54 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 0.00 172 V 8.71 4.51 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.99 0.00 0.00 173 F 9.06 5.47 0.00 2.96 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 A 9.15 4.61 1.26 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 0.00 0.00 175 E 8.77 4.97 0.00 1.86 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 0.00 2.32 2.37 0.00 176 G 8.72 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 0.00 0.00 0.00 177 I 7.33 3.51 1.88 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 1.38 0.85 0.90 0.00 0.00 178 A 7.82 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 Y 7.67 4.94 0.00 3.10 2.85 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 0.00 0.00 0.00 180 G 8.36 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 P 0.00 4.26 0.00 2.29 2.35 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 182 E 8.08 3.92 0.00 2.06 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 2.41 2.37 0.00 183 V 7.83 3.61 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 1.23 0.00 0.00 1.04 0.00 0.00 184 A 8.23 3.96 1.42 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 0.00 0.00 185 A 8.17 3.92 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 0.00 186 K 8.24 3.96 0.00 1.87 1.98 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.47 7.81 187 A 7.99 4.01 1.50 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 0.00 188 Q 8.35 3.94 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 189 A 7.97 3.91 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 0.00 190 D 8.24 4.38 0.00 2.76 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 0.00 191 A 8.09 4.10 1.50 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 0.00 192 K 8.42 3.89 0.00 1.75 1.34 0.00 1.31 0.00 0.00 0.68 0.00 0.00 2.38 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.50 1.35 7.81 193 A 8.38 4.30 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 8.10 4.05 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 I 8.20 3.95 2.38 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.09 1.10 0.00 0.00 196 D 8.62 4.38 0.00 2.92 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 0.00 197 S 8.14 4.22 0.00 4.14 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 0.00 198 V 7.53 3.67 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.12 0.00 0.00 199 V 7.91 3.69 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 0.51 0.00 0.00 0.65 0.00 0.00 200 A 8.17 4.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 A 8.04 4.26 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 * Residues marked with a * may have inaccurate shift predictions.