NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4287 8.3049 120.3146 55.2252 33.4102 174.2235 2 Q 4.5541 8.2692 118.5740 53.7470 32.4796 173.4303 3 I 4.6461 9.0347 123.7958 59.4869 40.6704 174.6973 4 K 4.3445 8.4969 127.3069 55.4512 33.3407 175.6463 5 I 4.6605 8.2970 125.1186 58.8182 40.7077 174.1843 6 K 4.6026 8.7793 130.0032 54.8146 34.8519 174.1955 7 Y 5.0508 8.5094 123.8608 56.2852 39.7430 175.3779 8 L 4.0997 8.8879 126.2666 57.8436 42.4153 176.5491 9 D 4.8033 7.7783 115.3511 51.7398 42.4009 175.3277 10 E 4.1232 8.6812 117.8963 58.2883 29.3953 178.0091 11 T 4.2700 8.2213 108.6209 61.7886 69.6086 175.3560 12 Q 4.0862 7.5295 122.3976 56.0523 29.2646 175.9689 13 T 4.0173 8.2684 118.9771 62.8210 68.9472 174.9531 14 R 3.5950 8.3032 126.6315 55.6005 30.6235 176.6920 15 I 3.8255 8.8266 117.1495 61.6560 37.7936 175.7417 16 N 4.9134 8.9418 123.3013 53.9379 38.1410 174.0622 *17 K 4.1839 7.2704 124.1644 56.3741 32.0040 179.0590 18 M 4.7421 9.4815 123.0661 54.1085 35.6545 177.6956 *19 E 4.5420 9.3948 120.0791 55.9583 28.1502 174.5147 20 Q 4.0483 8.4544 122.3005 57.2809 28.3859 174.5077 21 G 4.4010 9.1945 114.3612 45.2357 0.0000 173.7391 22 D 4.6095 7.4146 118.2368 53.8117 41.3777 176.6545 23 W 4.2715 8.8761 121.8581 57.0333 30.2277 175.3297 24 I 4.4606 8.5395 123.5564 59.6809 38.7814 175.0596 25 D 5.2123 8.8292 126.7377 54.3213 41.8980 175.6556 26 L 5.0100 9.2360 122.1875 53.0976 45.4333 175.7427 27 R 5.2025 8.3385 119.2674 53.8765 34.5377 174.8161 28 A 4.5104 8.4475 123.2374 52.2790 18.9183 178.4705 29 A 4.4438 9.1734 124.6217 53.5427 19.0474 176.7101 30 E 4.6648 7.5909 111.1973 55.0289 32.3395 174.9810 31 D 4.7221 8.5830 120.3370 54.7302 41.7799 176.3787 32 V 4.5118 8.9942 121.4690 61.3088 35.3927 173.2812 33 A 5.1481 8.6694 128.7503 50.1963 21.5642 175.4738 34 I 4.5401 8.6062 122.5310 59.3439 40.9448 175.4396 35 K 4.6578 8.6196 126.1350 55.3805 33.7316 176.2224 36 K 3.6749 8.7638 124.2406 57.9522 32.5843 176.1050 37 D 4.3818 8.7234 125.6102 55.0840 38.9969 173.2865 38 E 4.8216 7.3309 116.4643 54.5845 33.8437 175.0391 39 F 5.2962 8.5228 123.3964 57.2322 42.0821 174.9709 40 K 3.8260 6.4223 118.4988 55.4223 36.2531 173.9220 41 L 4.2853 8.4180 128.6767 54.2354 42.3326 176.7572 42 V 4.2132 8.8841 126.6555 61.0162 32.7585 173.5764 43 P 4.3184 0.0000 0.0000 63.0095 30.9450 176.6993 44 L 4.9404 8.1485 121.4112 52.6881 43.2295 177.5426 45 G 4.0467 7.8797 106.9573 46.2235 0.0000 173.2458 46 V 4.9269 7.2849 110.5077 59.2031 36.3599 174.5536 47 A 4.7866 8.2825 123.3976 50.6274 22.5294 175.1455 48 M 5.0244 8.5144 118.9840 53.6370 37.3820 174.0268 49 E 4.7615 8.9381 122.2197 54.4448 31.1634 175.3722 50 L 4.4803 8.4757 126.6122 53.5376 43.1256 175.4557 51 P 4.4123 0.0000 0.0000 63.1762 32.5440 176.6313 52 E 4.3318 8.7671 118.7916 57.6488 30.2108 177.8275 53 G 4.0153 10.2799 111.3147 45.0652 0.0000 172.2519 54 Y 5.1835 7.9393 116.8869 55.9522 41.8864 174.2462 55 E 5.2302 9.3194 117.7936 54.9214 33.9131 173.9838 56 A 5.4152 9.1748 121.8015 50.5743 22.5511 175.0979 57 H 5.6575 9.2194 117.1093 53.9325 32.5994 173.2376 58 V 5.4811 8.8832 121.9459 60.3103 34.3474 175.0908 59 V 5.1144 9.1170 116.6247 58.7367 36.4633 173.4240 60 P 4.8119 0.0000 0.0000 62.7124 32.0382 176.8859 61 R 4.2941 8.3536 119.5371 55.5014 30.9442 177.9131 62 S 4.0670 8.7177 114.6708 61.4766 62.4165 175.2282 63 S 4.6639 7.9298 112.3453 58.6303 63.5037 175.7747 64 T 3.9431 8.0579 120.4550 67.2440 68.0855 175.8431 65 Y 3.9850 8.0371 120.8759 60.5247 38.7361 177.6065 66 K 3.7612 8.0898 118.6249 59.6629 32.3650 178.0156 67 N 4.0408 7.8580 115.2875 55.4140 37.8527 176.6077 68 F 4.9700 8.0081 116.1947 55.7275 40.2963 175.8042 69 G 3.3871 8.4130 107.4107 46.4900 0.0000 173.5633 70 V 5.2988 7.3089 107.6721 59.1080 35.4394 175.2740 71 I 4.8858 8.7760 115.2192 59.2132 41.4793 174.2630 72 Q 4.5472 8.6388 125.0270 55.0855 29.2819 176.5454 73 T 3.9106 8.6884 118.6560 64.1712 68.9129 174.7493 74 N 4.5984 8.0339 117.1880 51.9632 37.1422 174.2818 75 S 3.9653 7.7157 116.4352 59.2674 62.1661 170.8551 76 M 4.9347 7.5560 118.6294 53.7686 34.9608 174.7878 77 G 3.8454 9.2509 113.9991 45.9609 0.0000 172.6770 78 V 4.7037 8.0999 121.8490 61.0187 34.0844 174.8877 79 I 3.9834 8.2081 130.4539 59.5175 38.5209 175.3924 80 D 4.8466 8.4444 127.4237 53.4724 42.1964 176.5524 81 E 4.2266 8.2369 121.5631 59.6139 29.3375 178.8387 82 S 4.2206 8.5409 113.8932 60.6591 63.8083 174.2934 83 Y 4.5634 7.7484 124.7646 56.7150 36.7903 174.8727 84 K 4.8378 6.9627 114.9052 55.3438 34.0060 177.4607 85 G 3.6753 8.6962 109.2817 45.6796 0.0000 175.1611 86 D 4.2648 8.4807 119.9203 56.1896 40.9279 176.9034 87 N 4.9965 7.7845 116.5283 53.4089 39.9423 174.8392 88 D 4.3580 7.2386 117.0408 52.3116 39.2134 176.4996 89 F 4.6742 7.8136 118.8174 56.9816 40.6644 175.6018 90 W 5.0857 9.1261 123.2515 56.2429 30.7080 175.6175 91 F 5.3702 8.9049 120.0180 55.9104 43.1443 174.0508 92 F 4.8853 9.4466 124.3982 55.7500 41.4663 173.0004 93 P 4.6095 0.0000 0.0000 62.7324 32.1994 174.7108 94 A 5.2391 8.2894 127.5498 50.1351 21.6721 174.3869 95 Y 5.0573 8.9104 123.4153 55.6848 41.4968 174.3076 96 A 4.6036 8.1868 129.4434 51.3816 20.0034 177.1962 97 L 4.7202 8.9156 122.5553 54.1302 42.3152 176.5814 98 R 4.3536 7.4391 113.5769 55.0720 31.2489 173.7395 99 D 4.6385 8.6656 118.9827 55.4774 41.2352 175.9263 100 T 4.7432 8.7665 116.3163 60.9731 71.7346 172.4019 101 K 4.9573 8.4769 123.5930 54.9389 35.8162 175.6866 102 I 4.2239 9.1450 126.6019 59.5801 39.4126 175.0776 103 K 4.8548 9.0486 126.2647 54.3373 34.3400 176.2635 104 K 3.9715 9.1558 125.2127 58.4695 32.3291 177.2424 105 G 3.9765 9.1975 115.4279 44.9914 0.0000 173.1523 106 D 4.5327 8.2330 121.5215 54.1429 41.9470 175.9105 107 R 4.7079 8.7696 123.2814 56.3453 30.0114 176.1674 108 I 4.5113 8.2718 117.3699 60.9822 39.7447 174.5726 109 C 5.0705 7.6656 116.6554 57.7689 33.2381 172.1794 110 Q 5.5259 9.4215 115.9189 55.3784 32.1714 173.4190 111 F 6.2940 9.8481 114.9355 55.7080 42.2554 172.9150 112 R 4.3439 8.1676 113.9345 55.0342 32.3472 173.7088 113 I 5.0304 7.7822 113.1865 60.0447 40.4465 174.0800 114 M 4.7920 8.8424 122.6435 54.7824 35.9206 174.5572 115 K 3.4360 8.3156 127.5904 54.7696 32.4946 177.5655 116 K 4.3519 8.2925 124.0530 55.2908 32.9849 177.0069 117 M 4.1626 8.3939 118.9248 54.5644 31.7207 174.7446 118 P 4.3260 0.0000 0.0000 62.1735 32.1940 176.1745 119 A 4.1232 8.3592 123.8063 52.3365 18.8290 177.6000 120 V 4.4754 8.1376 115.0127 59.4726 35.1752 174.8247 121 D 4.7238 8.4397 121.1121 52.6196 41.8498 176.5684 122 L 4.2242 8.4435 125.4992 53.8033 41.3861 176.6587 123 I 4.2520 8.0031 125.8596 59.0815 37.7271 175.6673 124 E 4.0738 8.5897 126.9830 56.1744 30.0772 175.9443 125 V 4.5923 7.9788 117.1673 60.2003 35.7339 174.5947 126 D 4.8698 8.6956 120.2666 55.1717 42.3814 177.5847 127 R 4.7394 7.6421 115.9252 54.5368 33.4295 180.3945 128 L 4.4144 8.4062 119.7227 54.5771 42.1997 176.5530 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 4.43 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 2 Q 8.27 4.55 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.67 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 3 I 9.03 4.65 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.59 0.91 0.00 0.00 4 K 8.50 4.34 0.00 1.61 1.68 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.35 7.81 5 I 8.30 4.66 1.66 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 0.36 0.48 0.87 0.00 0.00 6 K 8.78 4.60 0.00 1.66 1.48 0.00 1.57 0.00 0.00 1.37 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.39 7.81 7 Y 8.51 5.05 0.00 2.92 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 8 L 8.89 4.10 0.00 1.23 1.58 0.19 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.78 4.80 0.00 2.82 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 10 E 8.68 4.12 0.00 1.95 2.02 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 2.29 2.32 0.00 11 T 8.22 4.27 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 1.19 0.00 0.00 12 Q 7.53 4.09 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.90 0.00 0.00 0.00 0.00 0.00 2.77 2.58 0.00 13 T 8.27 4.02 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 1.19 0.00 0.00 14 R 8.30 3.60 0.00 1.62 1.81 0.00 2.52 0.00 0.00 2.91 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.19 0.00 15 I 8.83 3.83 2.14 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 1.56 1.23 1.05 0.00 0.00 16 N 8.94 4.91 0.00 2.90 3.07 0.00 0.00 6.34 7.20 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 *17 K 7.27 4.18 0.00 1.75 1.72 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.31 7.81 18 M 9.48 4.74 0.00 1.83 1.81 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 *19 E 9.39 4.54 0.00 1.95 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 0.00 2.13 1.71 0.00 20 Q 8.45 4.05 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.68 0.00 0.00 0.00 0.00 0.00 2.29 1.97 0.00 21 G 9.19 4.40 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 0.00 22 D 7.41 4.61 0.00 2.83 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 23 W 8.88 4.27 0.00 3.08 3.20 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 0.00 24 I 8.54 4.46 1.09 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.42 0.96 0.00 0.00 25 D 8.83 5.21 0.00 2.63 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 26 L 9.24 5.01 0.00 1.69 1.62 1.20 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.34 5.20 0.00 1.73 1.74 0.00 3.16 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 28 A 8.45 4.51 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 29 A 9.17 4.44 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 30 E 7.59 4.66 0.00 1.91 1.86 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 2.14 2.29 0.00 31 D 8.58 4.72 0.00 2.56 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 32 V 8.99 4.51 2.02 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 0.89 0.00 0.00 0.97 0.00 0.00 33 A 8.67 5.15 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 34 I 8.61 4.54 1.83 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 1.17 0.99 0.85 0.00 0.00 35 K 8.62 4.66 0.00 1.95 1.70 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.74 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.52 1.00 7.81 36 K 8.76 3.67 0.00 1.91 1.74 0.00 1.94 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.63 7.81 37 D 8.72 4.38 0.00 2.87 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 38 E 7.33 4.82 0.00 1.93 1.78 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 2.22 2.36 0.00 39 F 8.52 5.30 0.00 3.14 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 40 K 6.42 3.83 0.00 1.74 1.40 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.17 1.27 7.81 41 L 8.42 4.29 0.00 1.52 1.65 0.76 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.88 4.21 2.39 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 0.90 0.00 0.00 1.00 0.00 0.00 43 P 0.00 4.32 0.00 1.98 2.24 0.00 3.79 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 44 L 8.15 4.94 0.00 1.77 1.76 1.19 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.88 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 46 V 7.28 4.93 1.45 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 0.47 0.00 0.00 0.26 0.00 0.00 47 A 8.28 4.79 0.40 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 48 M 8.51 5.02 0.00 1.79 1.85 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.05 0.00 49 E 8.94 4.76 0.00 1.96 1.79 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 2.19 2.24 0.00 50 L 8.48 4.48 0.00 1.68 1.70 1.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.41 0.00 1.67 1.78 0.00 3.57 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 1.79 2.21 0.00 52 E 8.77 4.33 0.00 1.98 1.75 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 2.23 1.89 0.00 53 G 10.28 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 0.00 0.00 0.00 54 Y 7.94 5.18 0.00 3.20 2.91 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 55 E 9.32 5.23 0.00 2.08 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 2.34 2.25 0.00 56 A 9.17 5.42 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 57 H 9.22 5.66 0.00 3.04 3.35 0.00 5.58 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.88 5.48 2.40 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 0.80 0.00 0.00 1.27 0.00 0.00 59 V 9.12 5.11 2.16 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 0.90 0.00 0.00 0.84 0.00 0.00 60 P 0.00 4.81 0.00 2.19 2.24 0.00 3.79 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 2.22 2.51 0.00 61 R 8.35 4.29 0.00 1.94 1.87 0.00 3.25 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 62 S 8.72 4.07 0.00 3.79 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 63 S 7.93 4.66 0.00 3.98 4.04 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 64 T 8.06 3.94 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 1.40 0.00 0.00 65 Y 8.04 3.98 0.00 3.11 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 66 K 8.09 3.76 0.00 2.08 1.91 0.00 1.95 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.11 7.81 67 N 7.86 4.04 0.00 1.86 1.42 0.00 0.00 6.90 7.71 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 68 F 8.01 4.97 0.00 2.98 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 69 G 8.41 3.39 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 0.00 70 V 7.31 5.30 2.34 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 0.90 0.00 0.00 1.21 0.00 0.00 71 I 8.78 4.89 1.99 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 1.57 1.06 1.09 0.00 0.00 72 Q 8.64 4.55 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.93 0.00 0.00 0.00 0.00 0.00 2.45 1.85 0.00 73 T 8.69 3.91 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 1.37 0.00 0.00 74 N 8.03 4.60 0.00 2.80 2.90 0.00 0.00 6.06 7.64 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 75 S 7.72 3.97 0.00 4.06 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 76 M 7.56 4.93 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 77 G 9.25 3.85 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 0.00 0.00 0.00 78 V 8.10 4.70 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 0.82 0.00 0.00 0.85 0.00 0.00 79 I 8.21 3.98 1.38 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 -0.36 0.72 0.00 0.00 80 D 8.44 4.85 0.00 2.78 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 81 E 8.24 4.23 0.00 2.08 2.40 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 2.35 2.32 0.00 82 S 8.54 4.22 0.00 4.06 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 83 Y 7.75 4.56 0.00 2.85 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 84 K 6.96 4.84 0.00 1.82 1.93 0.00 1.23 0.00 0.00 0.61 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.31 7.81 85 G 8.70 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 86 D 8.48 4.26 0.00 2.63 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 87 N 7.78 5.00 0.00 2.66 2.79 0.00 0.00 6.97 8.47 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 88 D 7.24 4.36 0.00 2.33 1.54 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 89 F 7.81 4.67 0.00 3.19 2.83 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 90 W 9.13 5.09 0.00 3.18 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.90 5.37 0.00 2.91 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 92 F 9.45 4.89 0.00 3.12 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 93 P 0.00 4.61 0.00 2.38 2.38 0.00 3.47 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 1.91 1.99 0.00 94 A 8.29 5.24 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 95 Y 8.91 5.06 0.00 3.25 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 96 A 8.19 4.60 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 97 L 8.92 4.72 0.00 1.75 1.89 1.22 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.44 4.35 0.00 1.85 1.86 0.00 3.00 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.48 0.00 99 D 8.67 4.64 0.00 2.58 2.66 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 0.00 100 T 8.77 4.74 4.28 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 1.31 0.00 0.00 101 K 8.48 4.96 0.00 1.63 1.65 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.46 7.81 102 I 9.15 4.22 1.68 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.63 0.38 0.00 0.00 103 K 9.05 4.85 0.00 1.99 1.69 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.54 7.81 104 K 9.16 3.97 0.00 1.73 1.72 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 105 G 9.20 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 0.00 106 D 8.23 4.53 0.00 2.44 2.41 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 0.00 107 R 8.77 4.71 0.00 1.76 1.94 0.00 3.36 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 1.67 1.66 0.00 108 I 8.27 4.51 1.21 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.19 0.40 0.00 0.00 109 C 7.67 5.07 0.00 3.43 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 0.00 110 Q 9.42 5.53 0.00 2.47 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.63 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 111 F 9.85 6.29 0.00 3.51 3.48 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 0.00 112 R 8.17 4.34 0.00 1.10 0.66 0.00 2.21 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.88 0.00 113 I 7.78 5.03 2.05 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.75 1.11 0.00 0.00 114 M 8.84 4.79 0.00 1.96 1.73 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 115 K 8.32 3.44 0.00 1.58 1.58 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.65 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.05 7.81 116 K 8.29 4.35 0.00 1.55 1.74 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.61 1.38 7.81 117 M 8.39 4.16 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 118 P 0.00 4.33 0.00 2.04 2.01 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 119 A 8.36 4.12 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 0.00 120 V 8.14 4.48 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 0.81 0.00 0.00 0.92 0.00 0.00 121 D 8.44 4.72 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 0.00 122 L 8.44 4.22 0.00 1.60 1.63 0.91 0.88 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 0.00 123 I 8.00 4.25 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 1.44 0.82 0.91 0.00 0.00 124 E 8.59 4.07 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 125 V 7.98 4.59 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 0.84 0.00 0.00 1.00 0.00 0.00 126 D 8.70 4.87 0.00 2.61 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 0.00 127 R 7.64 4.74 0.00 1.77 1.62 0.00 3.20 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.22 0.00 128 L 8.41 4.41 0.00 1.58 1.54 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.