NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 3.9461 8.2644 123.5532 51.8310 20.6288 177.0021 4 L 3.6880 7.4972 116.1190 53.7537 42.5955 173.8386 5 D 4.5298 8.9498 122.4850 55.1134 42.1357 176.2662 6 N 4.6298 8.9193 116.5845 53.6022 37.0378 176.1796 7 S 4.2888 7.7502 112.3671 59.6045 64.4090 173.7191 8 I 5.0492 7.3728 122.5086 59.5760 39.3541 174.7883 9 R 4.6791 9.1703 128.1478 54.4735 32.4686 174.6001 10 V 4.8918 8.5366 125.7224 61.3123 33.6234 174.2229 11 E 4.8702 9.1105 127.3682 54.6395 32.4034 175.2821 12 V 4.8373 8.1777 121.6158 61.1480 34.9715 174.5793 13 K 4.8277 8.5992 124.8089 54.9098 36.4606 175.2721 14 T 5.2331 8.2760 112.0741 60.4914 72.8174 172.6611 15 E 4.7482 9.0713 120.9172 55.2596 33.5827 173.4283 16 Y 4.3596 9.0547 129.2836 58.4089 38.9328 174.8874 17 I 3.8900 8.3388 128.5887 62.3579 38.1128 175.8153 18 E 4.2392 6.7614 118.9003 55.0846 32.7914 173.6436 19 Q 4.4156 8.7094 127.6627 55.8066 29.7933 176.1533 20 Q 4.4478 8.5446 127.2759 54.2640 28.2420 173.4436 21 S 4.3888 8.0419 116.9707 58.4520 63.8509 173.8260 22 S 4.4115 8.6623 121.0023 59.6308 64.4137 174.5086 *26 E 4.0358 7.7927 115.4869 55.9280 30.5503 174.7962 27 K 4.9713 7.8117 118.9335 54.9597 37.1303 174.8154 28 Y 4.9380 9.4227 119.4820 56.3110 41.9100 174.1497 29 L 4.9319 8.7437 127.2287 54.1159 43.7498 175.3870 30 F 5.5528 9.4836 124.8151 55.6964 43.0833 174.2615 31 S 5.3826 9.3063 115.5910 56.8206 66.4581 172.5008 32 Y 5.2049 8.3352 119.0501 55.8332 41.7754 173.8112 33 T 4.7806 9.1033 120.2196 61.9111 71.1671 173.0901 34 I 4.8440 8.1848 127.9291 59.6887 40.2828 174.8525 35 T 4.9604 8.6744 123.0243 61.9649 71.2004 173.2326 36 I 4.8729 9.2082 128.7552 59.8697 39.1289 174.4695 37 I 4.8475 8.8342 128.6830 59.1427 40.5084 173.6199 38 N 5.2202 9.0343 128.3791 52.1037 40.2791 174.3944 39 L 4.8563 8.9936 126.1720 54.5836 42.8089 177.1913 40 G 3.9667 8.2981 109.6728 44.2979 0.0000 174.4088 41 E 4.0338 8.7603 118.3670 58.5520 29.4710 177.3871 42 Q 4.5741 7.6175 113.7592 53.6656 31.5593 174.4816 43 A 4.5804 8.1547 119.1527 51.9853 20.0706 176.2837 44 A 5.1329 8.6711 119.5068 50.1667 23.0724 175.0695 45 K 4.7838 8.9480 122.2838 54.4066 34.3014 175.3883 46 L 4.1014 8.4417 129.6131 54.5423 42.5476 176.3292 47 E 4.4450 9.3090 127.2751 57.6785 31.8826 176.0163 48 T 5.3066 7.5201 107.7368 60.1257 73.2515 172.8468 49 R 5.0362 8.8120 116.9702 55.0999 33.6102 174.4007 50 H 4.7935 8.5241 120.6119 55.2169 32.1945 171.8398 51 W 5.2340 9.3668 126.3813 55.3004 31.4246 175.6647 52 I 4.4978 8.3729 122.8427 59.5070 39.8442 174.2833 53 I 4.5671 8.7506 131.1102 59.7808 40.1087 175.1294 54 T 5.0262 8.6849 122.5166 61.9295 72.4551 173.7722 55 D 4.8612 8.6519 126.3422 51.6175 41.6655 177.2826 56 A 3.7869 8.2449 121.4274 54.8189 18.0776 178.3159 57 N 4.4777 8.1350 110.9110 53.5974 39.0808 176.0668 58 G 3.9078 8.1630 107.1738 44.5295 0.0000 173.3807 59 K 4.1962 8.2407 122.7703 56.2941 33.1397 175.4987 60 T 5.2949 8.5553 121.9096 60.3415 70.0734 172.9056 61 S 4.8905 9.0397 121.1163 56.7354 66.9493 172.5055 62 E 5.3007 8.7476 119.1539 54.7056 33.4714 175.4201 63 V 4.5179 8.7556 121.7886 61.3955 34.8146 174.0829 64 Q 5.1083 8.6804 126.4063 54.3092 31.7897 174.8953 65 G 4.1601 8.5332 108.7752 45.4514 0.0000 171.5807 66 A 4.6840 8.6922 122.2005 52.3053 19.3621 179.5123 67 G 3.7523 8.8206 112.3321 45.4604 0.0000 172.6796 68 V 4.3456 7.7528 110.4854 60.9073 34.8948 176.2254 69 V 3.4391 9.5939 115.7793 62.4746 29.1275 174.6176 70 G 3.9444 8.4991 105.5717 45.3929 0.0000 173.4893 71 E 4.6941 8.2223 120.6401 54.3892 32.6845 174.8938 72 T 4.5808 8.1069 113.0879 57.9248 68.4168 171.7471 73 P 4.2199 0.0000 0.0000 63.9367 33.1355 176.2258 74 T 4.7168 8.2130 118.0416 62.0922 70.6421 174.0399 75 I 4.3387 8.7290 128.4713 58.7772 38.3238 174.0273 76 P 4.7262 0.0000 0.0000 61.3445 32.0081 174.5910 77 P 4.2771 0.0000 0.0000 64.1384 31.6022 175.8154 78 N 4.3238 8.7356 116.4963 54.7571 37.0458 174.3060 79 T 4.8803 7.5998 111.4078 61.6369 72.6482 172.9615 80 A 5.2812 8.6415 125.2465 50.3559 21.7820 174.7592 81 Y 4.6133 9.3241 124.3529 55.8832 40.8112 174.1467 82 Q 5.2268 8.0702 127.7299 54.6638 31.7444 173.6880 83 Y 4.9046 8.4172 121.7184 56.3743 41.9508 173.3838 84 T 4.8763 8.5377 115.8497 62.3036 72.1377 173.8671 85 S 4.2031 8.0743 119.2185 59.0471 66.0642 171.7257 86 G 4.2282 8.0427 104.2972 47.0053 0.0000 172.3332 87 T 4.8699 8.7281 112.8280 60.8748 71.3330 172.3363 88 V 4.9155 8.4756 126.2482 61.3761 33.3333 174.9128 89 L 4.8886 9.3968 127.8761 53.5265 44.2082 177.1068 90 D 4.8542 8.8367 119.3668 55.2244 41.2388 176.7133 91 T 4.5989 7.4282 108.8653 58.6648 71.9304 172.6918 92 P 3.6623 0.0000 0.0000 63.3282 31.3462 175.3139 93 F 5.1368 6.6821 111.7323 56.9687 41.1082 173.4898 94 G 3.9937 8.6142 106.2666 46.4227 0.0000 171.2250 95 I 5.0967 8.1973 120.7019 59.3317 41.7672 174.1922 *97 Y 4.8763 8.2115 120.3049 57.0009 39.8384 174.4531 98 G 3.9422 7.5669 103.5062 46.5121 0.0000 171.3929 99 T 4.7630 7.2235 108.8272 60.5398 72.6686 172.5174 100 Y 5.1277 8.6154 120.6687 56.3653 40.9654 175.3890 101 G 4.5230 8.8082 110.4890 44.4054 0.0000 172.9060 *103 V 4.3911 8.0746 120.5000 62.4080 32.8947 175.0387 104 S 4.8353 9.5928 123.5948 57.9311 63.2529 174.2682 105 E 3.9889 8.6436 124.9298 58.8429 29.9397 177.7797 106 S 4.4639 8.1943 112.6431 58.0691 63.0511 174.4837 107 G 4.0539 8.0929 107.5351 46.9536 0.0000 173.3095 108 E 4.5862 7.5519 118.3587 54.3512 30.7085 174.6656 109 H 5.0008 8.8586 123.9314 55.3124 29.9176 174.2316 110 F 5.0439 8.1641 116.8844 56.1464 40.8863 172.6546 111 N 5.1219 8.8714 116.4111 51.6319 40.4989 174.2805 112 A 4.8576 8.7784 125.6601 50.4028 21.2316 175.8448 113 I 4.2768 8.3997 116.4878 59.8912 39.5051 175.3542 114 I 4.3823 8.0987 126.5068 58.6469 39.1746 174.7070 115 K 4.3197 8.8000 128.2777 55.7176 32.8443 175.2577 116 P 4.4392 0.0000 0.0000 63.2781 31.8397 175.8626 117 F 5.0912 7.7291 115.5025 55.2223 41.0749 173.8404 118 R 4.4147 8.7720 120.8145 56.0118 31.3533 175.3689 119 L 4.5941 8.2651 125.0081 53.0382 44.2405 175.3498 120 A 5.1918 8.2612 123.0512 51.0799 22.0843 176.0900 121 T 3.8977 8.3681 111.3498 60.5686 69.4368 174.0519 122 P 4.3415 0.0000 0.0000 65.5346 31.2952 177.5675 123 G 3.7888 8.0327 106.2301 46.6963 0.0000 174.0745 124 L 4.5194 7.5711 118.2064 54.0618 42.2408 175.9797 125 L 4.0029 7.6857 121.9291 54.6396 42.3164 176.0014 126 H 4.2076 8.6525 126.6156 55.9565 30.4103 174.1192 127 L 4.6703 7.9127 125.8358 52.7314 44.4582 175.7469 128 E 4.3148 8.6977 124.3506 55.7299 30.6144 174.9005 129 H 4.9066 8.6472 121.6677 54.3359 30.9660 173.3095 130 H 5.0192 8.4905 119.9329 54.5030 32.2651 171.8333 131 H 4.7881 7.9442 114.1432 54.7585 30.6750 172.8231 132 H 4.3541 8.7568 120.5482 56.4015 30.2254 174.0529 133 H 4.5749 8.6279 124.1810 54.5832 29.7588 174.8225 134 H 4.5204 8.3142 119.1096 55.5862 28.5407 174.1273 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 3 A 8.26 3.95 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.50 3.69 0.00 1.58 1.50 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.95 4.53 0.00 2.86 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.92 4.63 0.00 2.98 3.00 0.00 0.00 6.57 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 7 S 7.75 4.29 0.00 3.83 4.14 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 8 I 7.37 5.05 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.30 1.09 0.00 0.00 9 R 9.17 4.68 0.00 1.90 1.81 0.00 3.13 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 10 V 8.54 4.89 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 1.09 0.00 0.00 1.18 0.00 0.00 11 E 9.11 4.87 0.00 1.96 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 2.25 2.25 0.00 12 V 8.18 4.84 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.77 0.00 0.00 13 K 8.60 4.83 0.00 1.68 1.59 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.31 7.81 14 T 8.28 5.23 4.51 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 1.30 0.00 0.00 15 E 9.07 4.75 0.00 2.10 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 2.25 2.30 0.00 16 Y 9.05 4.36 0.00 3.07 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 17 I 8.34 3.89 1.79 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 1.24 0.90 0.77 0.00 0.00 18 E 6.76 4.24 0.00 1.75 1.52 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 2.06 2.08 0.00 19 Q 8.71 4.42 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.01 0.00 0.00 0.00 0.00 0.00 2.13 1.94 0.00 20 Q 8.54 4.45 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 21 S 8.04 4.39 0.00 3.81 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 22 S 8.66 4.41 0.00 3.81 3.86 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 *26 E 7.79 4.04 0.00 1.87 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 2.24 2.52 0.00 27 K 7.81 4.97 0.00 1.56 1.68 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.51 7.81 28 Y 9.42 4.94 0.00 3.02 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 29 L 8.74 4.93 0.00 1.75 1.58 1.01 0.54 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 30 F 9.48 5.55 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 31 S 9.31 5.38 0.00 3.84 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 32 Y 8.34 5.20 0.00 2.74 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 9.10 4.78 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 34 I 8.18 4.84 1.48 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 1.19 0.00 0.00 35 T 8.67 4.96 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 1.24 0.00 0.00 36 I 9.21 4.87 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.02 1.01 0.00 0.00 37 I 8.83 4.85 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.63 1.01 0.00 0.00 38 N 9.03 5.22 0.00 2.95 2.87 0.00 0.00 6.73 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 39 L 8.99 4.86 0.00 1.53 1.66 0.95 0.89 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 40 G 8.30 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 41 E 8.76 4.03 0.00 1.95 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 2.30 2.22 0.00 42 Q 7.62 4.57 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 43 A 8.15 4.58 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 44 A 8.67 5.13 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.95 4.78 0.00 1.64 1.59 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.60 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.22 1.34 7.81 46 L 8.44 4.10 0.00 1.45 1.19 -0.04 0.51 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 47 E 9.31 4.45 0.00 1.94 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 2.16 2.11 0.00 48 T 7.52 5.31 4.27 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 0.00 0.00 0.00 1.18 0.00 0.00 49 R 8.81 5.04 0.00 1.73 2.12 0.00 3.17 0.00 0.00 3.44 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 50 H 8.52 4.79 0.00 3.23 3.11 0.00 5.76 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 9.37 5.23 0.00 3.26 2.87 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 52 I 8.37 4.50 1.48 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 0.70 0.20 -0.51 0.00 0.00 53 I 8.75 4.57 1.81 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 0.98 0.44 0.81 0.00 0.00 54 T 8.68 5.03 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 55 D 8.65 4.86 0.00 2.68 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 56 A 8.24 3.79 0.26 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 57 N 8.13 4.48 0.00 2.84 2.83 0.00 0.00 7.14 7.65 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 58 G 8.16 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 59 K 8.24 4.20 0.00 1.86 2.12 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.38 7.81 60 T 8.56 5.29 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 61 S 9.04 4.89 0.00 3.88 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 62 E 8.75 5.30 0.00 1.85 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 2.26 0.00 63 V 8.76 4.52 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.05 0.00 0.00 64 Q 8.68 5.11 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.52 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 65 G 8.53 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.69 4.68 1.21 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 0.00 0.00 0.00 67 G 8.82 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.75 4.35 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.51 0.00 0.00 69 V 9.59 3.44 2.12 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 0.84 0.00 0.00 0.84 0.00 0.00 70 G 8.50 3.94 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 0.00 0.00 0.00 71 E 8.22 4.69 0.00 1.93 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 72 T 8.11 4.58 4.19 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 1.15 0.00 0.00 73 P 0.00 4.22 0.00 1.26 1.42 0.00 3.31 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 74 T 8.21 4.72 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 1.19 0.00 0.00 75 I 8.73 4.34 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.98 0.99 0.00 0.00 76 P 0.00 4.73 0.00 2.19 2.00 0.00 3.64 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 77 P 0.00 4.28 0.00 2.05 2.21 0.00 3.84 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.25 0.00 78 N 8.74 4.32 0.00 2.83 2.89 0.00 0.00 6.74 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 79 T 7.60 4.88 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 1.27 0.00 0.00 80 A 8.64 5.28 1.23 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 0.00 0.00 81 Y 9.32 4.61 0.00 3.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.07 5.23 0.00 1.98 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.53 0.00 0.00 0.00 0.00 0.00 2.11 2.34 0.00 83 Y 8.42 4.90 0.00 3.08 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 84 T 8.54 4.88 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 1.15 0.00 0.00 85 S 8.07 4.20 0.00 4.01 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.04 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 0.00 0.00 0.00 0.00 87 T 8.73 4.87 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 88 V 8.48 4.92 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 0.93 0.00 0.00 0.98 0.00 0.00 89 L 9.40 4.89 0.00 1.97 1.80 0.82 0.85 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 90 D 8.84 4.85 0.00 2.68 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 91 T 7.43 4.60 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 1.06 0.00 0.00 92 P 0.00 3.66 0.00 1.99 1.46 0.00 3.33 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 93 F 6.68 5.14 0.00 3.01 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 94 G 8.61 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 95 I 8.20 5.10 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.97 0.89 0.00 0.00 *97 Y 8.21 4.88 0.00 3.24 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 98 G 7.57 3.94 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 0.00 0.00 0.00 99 T 7.22 4.76 4.14 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 1.16 0.00 0.00 100 Y 8.62 5.13 0.00 2.79 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.81 4.52 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 0.00 0.00 0.00 *103 V 8.07 4.39 1.96 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 0.89 0.00 0.00 0.55 0.00 0.00 104 S 9.59 4.84 0.00 4.00 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 0.00 105 E 8.64 3.99 0.00 2.20 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 2.33 2.33 0.00 106 S 8.19 4.46 0.00 4.05 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 0.00 107 G 8.09 4.05 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 0.00 0.00 0.00 108 E 7.55 4.59 0.00 2.11 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 0.00 2.31 2.31 0.00 109 H 8.86 5.00 0.00 3.19 3.23 0.00 5.79 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.16 5.04 0.00 3.05 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 0.00 111 N 8.87 5.12 0.00 2.65 2.75 0.00 0.00 6.79 7.35 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 0.00 112 A 8.78 4.86 1.33 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 0.00 0.00 113 I 8.40 4.28 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 0.94 0.00 0.00 114 I 8.10 4.38 1.65 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.99 0.59 0.00 0.00 115 K 8.80 4.32 0.00 1.73 1.83 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.48 1.57 7.81 116 P 0.00 4.44 0.00 2.00 1.92 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.81 0.00 117 F 7.73 5.09 0.00 2.90 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.77 4.41 0.00 1.85 1.90 0.00 3.16 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 119 L 8.27 4.59 0.00 1.24 0.16 0.65 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.26 5.19 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 0.00 121 T 8.37 3.90 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 0.13 0.00 0.00 122 P 0.00 4.34 0.00 2.26 2.33 0.00 3.92 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 123 G 8.03 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 0.00 124 L 7.57 4.52 0.00 1.61 1.54 1.03 0.73 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 0.00 125 L 7.69 4.00 0.00 1.61 1.57 0.95 1.02 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 0.00 126 H 8.65 4.21 0.00 3.04 3.10 0.00 5.72 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.91 4.67 0.00 1.53 1.32 0.94 0.90 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 0.00 128 E 8.70 4.31 0.00 2.00 1.90 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 2.26 2.35 0.00 129 H 8.65 4.91 0.00 3.10 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.49 5.02 0.00 3.05 3.20 0.00 5.94 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 7.94 4.79 0.00 3.24 3.25 0.00 5.53 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.76 4.35 0.00 3.16 3.30 0.00 5.71 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 0.00 133 H 8.63 4.57 0.00 3.03 3.17 0.00 5.91 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.31 4.52 0.00 3.20 3.33 0.00 5.75 0.00 0.00 0.00 0.00 6.91 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.