NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3715 8.2549 119.0717 55.4370 31.9782 175.0614 9 R 4.6365 7.7350 113.1904 54.3249 34.1077 172.3657 10 C 4.8469 9.1593 118.1891 58.2530 31.6819 172.9334 11 Q 4.9719 8.6377 121.9867 55.2080 30.0862 174.7194 12 A 4.6808 8.8070 122.5837 50.9801 23.4471 174.8034 13 Q 5.0018 8.5451 117.8043 54.1061 31.3142 175.5454 14 V 4.5261 8.8032 123.3003 61.1862 34.5823 174.3835 15 S 5.4438 8.9553 124.8968 57.4491 66.6611 174.1395 16 R 4.7656 8.8326 122.4770 55.0621 33.3493 173.8947 17 R 5.3203 8.7336 123.6049 53.9811 32.2809 174.8447 18 I 5.0139 8.9775 118.7641 59.4219 41.7986 173.7011 19 S 5.3996 8.6646 116.0450 56.7058 66.2233 173.0600 20 F 5.2527 8.7261 114.6727 55.6760 41.8583 173.1565 21 S 5.3227 9.1730 116.2716 57.2684 64.8564 173.2097 22 A 5.2433 8.8825 124.5548 50.9280 22.6859 175.1151 23 S 5.2687 8.6842 114.4642 57.3442 66.5735 172.5125 24 H 4.8130 8.6887 115.4720 55.1987 32.2618 172.1864 25 R 4.7947 9.3112 118.8922 54.5480 32.6930 174.1517 26 L 4.2494 8.4527 126.8833 54.0357 42.6627 175.6105 27 Y 4.8831 8.0080 119.6204 56.0885 40.4935 173.3907 28 S 4.4007 9.1718 119.5729 56.7905 64.2854 175.9520 29 K 4.1953 8.4400 130.9109 57.5206 31.7604 176.1604 *30 F 4.3358 7.9877 114.3952 58.6622 38.2841 180.8977 31 L 4.7817 7.2556 117.8368 53.3521 43.6793 176.9400 32 S 4.4482 8.3485 115.8715 58.2050 65.1505 175.2278 33 D 4.3979 8.5684 121.9029 57.6331 40.5539 179.0036 34 E 4.0312 8.1014 118.6421 59.2570 29.5663 178.9711 35 E 3.9500 8.5035 118.9772 59.5975 29.5821 179.1169 36 N 4.4241 8.4147 116.5857 56.2334 38.5672 177.2964 37 L 4.0822 8.0648 123.7132 58.7044 42.0250 179.7500 38 K 3.9585 7.8675 122.4314 59.6490 31.6773 180.3272 39 L 4.1102 7.7825 120.5884 57.4137 42.4814 178.1826 40 F 4.8896 8.2818 115.6993 56.1944 39.9534 177.4025 41 G 3.8043 8.9889 111.1965 46.8859 0.0000 178.0265 42 K 3.9921 8.6528 124.2578 57.3122 31.8689 177.5289 43 C 4.1503 8.0177 114.6643 62.2938 28.0715 174.4091 44 N 4.7704 8.1849 116.4798 52.4088 38.8982 174.0874 45 N 4.0845 7.9742 116.1387 54.2229 39.2579 173.2974 46 P 4.1442 0.0000 0.0000 65.7014 31.5106 176.8107 47 N 4.5076 8.1308 112.1566 52.8534 38.6555 175.3839 48 G 3.8994 9.4929 106.2467 45.3019 0.0000 171.1825 49 H 4.8068 8.4828 112.4827 55.2263 32.0557 172.0919 50 G 4.5155 8.2187 104.3318 46.1234 0.0000 171.7441 51 H 4.8163 8.9596 115.4644 54.2238 33.6270 173.5247 52 N 4.6451 8.5031 119.1566 52.2694 38.2482 174.2503 53 Y 4.2457 8.4806 122.3410 57.6030 39.4686 174.9802 54 K 5.1143 8.8936 122.3637 54.6211 35.4039 175.3016 55 V 5.0687 9.2892 124.0755 61.1455 34.8883 174.0949 56 V 4.8341 9.1751 128.1539 61.2666 33.9363 174.0836 57 V 4.8192 8.7223 128.4333 61.6017 33.6316 174.2936 58 T 5.2291 9.0931 124.8708 61.9964 71.1897 173.9378 59 V 5.0196 8.9867 119.7438 60.0152 35.0935 174.2499 60 H 5.6002 9.1377 117.0208 53.0510 32.0997 173.3832 61 G 3.9420 7.8796 103.6735 46.5042 0.0000 170.8103 62 E 4.7396 8.0102 119.0608 55.9030 30.9821 176.7239 63 I 3.9900 8.6959 125.5768 60.9470 37.7801 175.6851 64 D 4.3538 9.0994 128.9787 53.5166 41.2665 175.2721 65 P 4.1238 0.0000 0.0000 65.7348 31.6909 177.7494 66 A 4.1120 8.2780 121.6416 54.8627 18.3324 178.3697 67 T 4.1934 8.0547 103.3138 61.3516 69.9070 175.7244 68 G 3.9193 8.9729 110.0201 46.0437 0.0000 172.8935 69 M 4.8731 7.5724 117.9253 53.0862 35.8132 176.9531 70 V 3.8929 8.3863 120.2780 64.7831 32.1229 176.1120 71 M 4.7799 7.5188 116.0303 52.2419 35.3972 174.1582 72 N 4.2762 8.7804 121.7496 54.1751 39.9044 175.7552 73 L 3.9874 8.6190 128.2284 57.6311 41.7632 179.1027 74 A 3.9194 8.2570 120.8061 55.4706 18.2697 179.3391 75 D 3.8492 8.1846 116.7089 57.3629 40.7289 178.7919 76 L 4.1996 7.5760 120.9361 57.6690 42.0438 178.9014 77 K 3.9765 8.1402 122.2753 60.0564 32.1306 179.5559 78 K 3.9397 8.0415 124.0977 60.0361 31.4794 180.4801 79 Y 4.4929 7.9209 118.4545 61.2929 37.8081 178.5397 80 M 4.0947 8.5701 120.1182 58.1167 31.9947 178.3191 81 E 3.9460 8.6233 120.0133 59.5379 29.5985 178.8954 82 E 4.1982 8.5375 118.5036 58.4786 29.6529 178.5319 83 A 4.2764 8.1483 119.2737 53.1865 19.3035 177.0148 84 I 4.2467 7.7481 115.6744 63.3255 39.8580 177.7806 85 M 3.9864 8.0100 118.8154 58.7827 32.3608 178.7266 86 Q 4.0157 8.4120 117.9395 58.5767 28.9847 177.7426 87 P 4.4586 0.0000 0.0000 64.5592 31.8285 176.8103 88 L 4.3617 7.5983 117.4091 55.0934 43.3785 176.5223 89 D 4.5864 8.2246 118.7910 55.3390 41.8152 175.5278 90 H 4.1006 9.2238 123.6857 57.2878 27.0484 174.4406 91 K 4.6388 7.6651 115.8871 54.5093 36.2352 175.4046 92 N 5.2421 9.3339 119.4678 51.3309 39.3552 175.7822 93 L 3.9623 8.9339 127.4605 58.1393 41.8197 179.6728 94 D 4.6182 8.1884 116.0925 56.4490 41.1210 176.9356 95 M 4.5092 7.8567 116.8650 55.6436 33.6133 176.4734 96 D 4.6074 8.4855 117.0326 54.1244 42.3271 176.2962 97 V 4.2686 7.4710 119.3585 60.2370 32.1467 174.0226 98 P 4.2663 0.0000 0.0000 65.8295 31.4934 178.1043 99 Y 3.8888 8.1489 117.7529 60.5440 38.5121 176.6764 100 F 4.6380 8.0617 115.5057 57.2640 39.1534 176.4688 101 A 4.1531 8.2464 128.8158 55.4894 18.1436 179.6279 102 D 4.8921 7.8530 110.5512 52.5152 41.0507 177.4374 103 V 4.3464 7.2977 118.1441 61.4776 34.2862 175.3544 104 V 3.6227 8.3489 127.1540 63.0163 32.1013 176.1726 105 S 4.3048 8.3561 124.0520 58.3633 63.2411 174.8064 106 T 4.1993 7.5812 110.9633 62.7863 71.0627 174.2682 107 T 3.9884 8.4942 118.4797 66.7331 68.5042 176.4737 108 E 3.9805 8.2923 120.0803 59.9006 29.5687 179.2443 109 N 4.5398 8.2359 115.6887 55.9212 38.5997 177.8000 110 V 3.8982 8.0262 120.0552 65.8026 31.5004 177.9248 111 A 4.1301 8.2575 120.7356 55.1288 18.1579 179.8484 112 V 3.1053 7.6636 116.7106 65.9964 31.4916 177.4328 113 Y 3.6946 8.1715 119.3653 60.8222 38.4701 178.3877 114 I 3.5261 7.9960 120.4806 63.9295 37.1654 178.0191 115 W 4.1588 8.5259 129.4458 60.8737 30.3411 177.7740 116 D 4.4181 8.2794 117.3949 57.3782 40.4015 178.2073 117 N 4.2222 7.9427 117.1362 56.2620 38.4223 177.5084 118 L 3.9233 7.9350 120.5207 57.7581 41.4396 179.5741 119 Q 3.7187 7.7474 117.0155 58.3808 28.5726 178.5712 120 K 4.1138 7.4426 120.3561 59.5691 32.0908 179.9813 121 V 3.7663 7.3168 118.4244 64.5288 32.4159 179.6051 122 L 3.7845 6.9443 118.8664 52.9643 41.7592 175.3762 123 P 4.1154 0.0000 0.0000 62.6724 31.7927 175.9098 124 V 3.3800 8.2561 121.5388 64.8100 31.6258 176.2881 125 G 3.9810 8.8647 113.8540 45.6838 0.0000 173.9902 126 V 4.0936 7.2926 118.8496 64.2273 32.2877 175.9608 127 L 4.1403 7.5912 121.6851 55.1795 42.3388 174.7284 128 Y 4.6984 8.6406 127.0749 58.8519 40.7203 175.7068 129 K 4.8562 7.8202 118.0669 55.1968 36.0849 174.3542 130 V 4.9559 9.0662 126.4226 60.9983 34.5434 173.8877 131 K 5.0735 9.4052 129.3259 54.5739 35.1380 174.5763 132 V 4.9820 8.9751 127.4298 61.4398 34.5977 173.6285 133 Y 4.8153 9.4758 126.7029 56.6722 38.4949 176.4017 134 E 3.5366 8.9232 127.3251 58.4950 29.7910 176.1846 135 T 4.6801 7.3425 106.6097 59.5367 72.1646 173.7236 136 D 4.4429 8.7918 120.5187 57.0951 40.6712 177.6621 137 N 4.8111 8.4005 113.8695 52.9246 39.9783 174.1120 138 N 5.0217 8.0405 116.0567 51.4448 41.4538 173.5519 139 I 4.9092 8.3336 123.8235 59.2626 41.1356 175.1382 140 V 4.4553 8.7019 125.2511 61.0010 34.6169 174.2335 141 V 4.8867 8.4339 126.4874 61.2062 34.0512 173.6867 142 Y 4.7603 9.1532 128.9547 55.6696 41.3491 175.7444 143 K 4.0865 7.8947 123.4915 55.7397 33.2970 176.8764 144 G 2.5784 5.3800 106.4917 44.5296 0.0000 173.7072 145 E 3.9612 6.8541 123.6503 56.4145 29.5039 176.6092 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 8 R 8.25 4.37 0.00 1.85 1.92 0.00 3.17 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 9 R 7.73 4.64 0.00 1.80 1.79 0.00 3.26 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 10 C 9.16 4.85 0.00 2.84 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 11 Q 8.64 4.97 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 12 A 8.81 4.68 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.55 5.00 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.62 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 14 V 8.80 4.53 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 1.02 0.00 0.00 0.94 0.00 0.00 15 S 8.96 5.44 0.00 3.80 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 16 R 8.83 4.77 0.00 1.46 1.73 0.00 3.23 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 17 R 8.73 5.32 0.00 1.84 1.85 0.00 3.03 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 18 I 8.98 5.01 1.97 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 1.39 0.92 0.97 0.00 0.00 19 S 8.66 5.40 0.00 3.84 3.81 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 20 F 8.73 5.25 0.00 3.22 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 21 S 9.17 5.32 0.00 3.56 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.88 5.24 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 0.00 0.00 0.00 0.00 0.00 23 S 8.68 5.27 0.00 3.99 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 24 H 8.69 4.81 0.00 3.26 3.31 0.00 5.22 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 9.31 4.79 0.00 1.63 1.67 0.00 3.30 0.00 0.00 2.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 26 L 8.45 4.25 0.00 1.27 0.13 0.88 0.45 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 27 Y 8.01 4.88 0.00 3.10 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 28 S 9.17 4.40 0.00 3.86 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 29 K 8.44 4.20 0.00 1.82 1.71 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *30 F 7.99 4.34 0.00 2.31 2.23 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 31 L 7.26 4.78 0.00 1.65 1.63 0.97 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.35 4.45 0.00 4.06 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 33 D 8.57 4.40 0.00 2.73 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 34 E 8.10 4.03 0.00 2.06 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 2.40 2.46 0.00 35 E 8.50 3.95 0.00 2.12 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 0.00 2.31 2.35 0.00 36 N 8.41 4.42 0.00 3.06 3.11 0.00 0.00 6.72 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.06 4.08 0.00 1.82 1.84 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.87 3.96 0.00 1.91 1.72 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.32 7.81 39 L 7.78 4.11 0.00 1.33 1.31 0.66 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.28 4.89 0.00 3.32 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 41 G 8.99 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 0.00 0.00 0.00 42 K 8.65 3.99 0.00 1.69 1.84 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.03 7.81 43 C 8.02 4.15 0.00 3.24 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 44 N 8.18 4.77 0.00 2.86 3.06 0.00 0.00 7.04 8.63 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 45 N 7.97 4.08 0.00 2.95 2.74 0.00 0.00 7.14 7.07 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 46 P 0.00 4.14 0.00 2.05 2.07 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 47 N 8.13 4.51 0.00 2.69 2.82 0.00 0.00 7.08 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 48 G 9.49 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.48 4.81 0.00 3.13 3.36 0.00 5.27 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 50 G 8.22 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 51 H 8.96 4.82 0.00 1.94 2.58 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.50 4.65 0.00 2.50 2.71 0.00 0.00 7.00 7.46 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 53 Y 8.48 4.25 0.00 1.43 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 0.00 0.00 0.00 0.00 54 K 8.89 5.11 0.00 1.61 1.61 0.00 1.23 0.00 0.00 1.38 0.00 0.00 2.62 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.23 7.81 55 V 9.29 5.07 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 1.19 0.00 0.00 1.29 0.00 0.00 56 V 9.18 4.83 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 1.06 0.00 0.00 1.13 0.00 0.00 57 V 8.72 4.82 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 0.92 0.00 0.00 1.00 0.00 0.00 58 T 9.09 5.23 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 1.44 0.00 0.00 59 V 8.99 5.02 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 0.72 0.00 0.00 1.03 0.00 0.00 60 H 9.14 5.60 0.00 2.96 3.01 0.00 5.73 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.88 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 62 E 8.01 4.74 0.00 1.93 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 2.37 2.31 0.00 63 I 8.70 3.99 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.58 0.91 0.00 0.00 64 D 9.10 4.35 0.00 2.72 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 65 P 0.00 4.12 0.00 2.21 2.17 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 66 A 8.28 4.11 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.19 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 68 G 8.97 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 69 M 7.57 4.87 0.00 2.19 1.91 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.44 0.00 70 V 8.39 3.89 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.98 0.00 0.00 71 M 7.52 4.78 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 72 N 8.78 4.28 0.00 2.79 2.84 0.00 0.00 7.05 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 73 L 8.62 3.99 0.00 1.82 1.70 0.92 0.96 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 74 A 8.26 3.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.18 3.85 0.00 2.81 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 0.00 0.00 0.00 0.00 76 L 7.58 4.20 0.00 1.79 1.84 1.03 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.14 3.98 0.00 1.86 1.90 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.46 7.81 78 K 8.04 3.94 0.00 1.79 1.81 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.36 7.81 79 Y 7.92 4.49 0.00 3.07 2.84 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 80 M 8.57 4.09 0.00 2.08 2.22 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 2.79 2.59 0.00 81 E 8.62 3.95 0.00 2.12 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 0.00 2.30 2.40 0.00 82 E 8.54 4.20 0.00 2.02 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 2.35 2.30 0.00 83 A 8.15 4.28 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 84 I 7.75 4.25 1.99 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 1.30 0.99 0.79 0.00 0.00 85 M 8.01 3.99 0.00 2.07 2.34 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 2.84 2.55 0.00 86 Q 8.41 4.02 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 87 P 0.00 4.46 0.00 2.30 2.25 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 88 L 7.60 4.36 0.00 0.98 0.94 0.57 0.65 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 89 D 8.22 4.59 0.00 2.69 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 90 H 9.22 4.10 0.00 3.30 3.41 0.00 5.84 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.67 4.64 0.00 1.87 1.66 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.55 7.81 92 N 9.33 5.24 0.00 2.67 2.84 0.00 0.00 7.12 6.58 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 93 L 8.93 3.96 0.00 1.54 1.24 0.51 0.71 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 94 D 8.19 4.62 0.00 2.70 2.89 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 95 M 7.86 4.51 0.00 1.99 2.10 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 2.69 2.47 0.00 96 D 8.49 4.61 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.47 4.27 2.45 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 0.91 0.00 0.00 0.95 0.00 0.00 98 P 0.00 4.27 0.00 2.27 2.13 0.00 3.73 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 2.16 2.12 0.00 99 Y 8.15 3.89 0.00 2.83 2.51 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 0.00 100 F 8.06 4.64 0.00 3.30 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 0.00 101 A 8.25 4.15 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.85 4.89 0.00 2.67 2.50 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 0.00 103 V 7.30 4.35 1.77 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 0.96 0.00 0.00 0.44 0.00 0.00 104 V 8.35 3.62 2.10 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 0.73 0.00 0.00 0.88 0.00 0.00 105 S 8.36 4.30 0.00 3.57 3.50 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 0.00 106 T 7.58 4.20 4.48 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 1.29 0.00 0.00 107 T 8.49 3.99 4.30 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 1.33 0.00 0.00 108 E 8.29 3.98 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 2.42 2.50 0.00 109 N 8.24 4.54 0.00 3.18 3.21 0.00 0.00 6.75 7.66 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 0.00 110 V 8.03 3.90 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 1.01 0.00 0.00 0.74 0.00 0.00 111 A 8.26 4.13 1.48 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 0.00 0.00 112 V 7.66 3.11 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 0.90 0.00 0.00 0.09 0.00 0.00 113 Y 8.17 3.69 0.00 2.76 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 0.00 114 I 8.00 3.53 2.14 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 1.48 0.83 0.97 0.00 0.00 115 W 8.53 4.16 0.00 3.77 3.40 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 0.00 116 D 8.28 4.42 0.00 2.64 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 0.00 117 N 7.94 4.22 0.00 2.61 2.60 0.00 0.00 7.03 7.05 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 0.00 118 L 7.94 3.92 0.00 1.52 1.45 0.85 1.27 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 0.00 119 Q 7.75 3.72 0.00 1.86 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 1.76 2.26 0.00 120 K 7.44 4.11 0.00 1.79 1.79 0.00 1.56 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.50 7.81 121 V 7.32 3.77 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 0.83 0.00 0.00 0.93 0.00 0.00 122 L 6.94 3.78 0.00 1.35 1.33 0.65 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.12 0.00 2.12 1.97 0.00 3.42 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 124 V 8.26 3.38 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.90 0.00 0.00 125 G 8.86 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 0.00 126 V 7.29 4.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 127 L 7.59 4.14 0.00 1.16 0.99 0.74 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 8.64 4.70 0.00 2.64 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 0.00 129 K 7.82 4.86 0.00 1.46 1.65 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.29 7.81 130 V 9.07 4.96 2.46 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 1.21 0.00 0.00 1.19 0.00 0.00 131 K 9.41 5.07 0.00 1.85 1.82 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.58 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.10 1.19 7.81 132 V 8.98 4.98 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 1.25 0.00 0.00 1.09 0.00 0.00 133 Y 9.48 4.82 0.00 2.87 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 0.00 134 E 8.92 3.54 0.00 1.91 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 1.63 1.69 0.00 135 T 7.34 4.68 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 1.14 0.00 0.00 136 D 8.79 4.44 0.00 2.69 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 0.00 137 N 8.40 4.81 0.00 2.69 2.85 0.00 0.00 6.80 8.05 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 0.00 138 N 8.04 5.02 0.00 2.58 2.69 0.00 0.00 6.62 7.08 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 0.00 139 I 8.33 4.91 1.69 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.48 0.46 0.00 0.00 140 V 8.70 4.46 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 1.03 0.00 0.00 0.95 0.00 0.00 141 V 8.43 4.89 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 0.80 0.00 0.00 0.89 0.00 0.00 142 Y 9.15 4.76 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.89 4.09 0.00 1.51 1.35 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.55 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.86 1.10 7.81 144 G 5.38 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 0.00 0.00 0.00 145 E 6.85 3.96 0.00 1.79 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 2.19 2.05 0.00 * Residues marked with a * may have inaccurate shift predictions.