NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.2715 8.1114 123.5642 52.2627 21.2889 178.8001 16 G 3.6230 7.8815 104.4628 47.4285 0.0000 173.1992 17 I 3.6320 8.0081 121.1799 63.6778 38.2750 175.6772 18 T 3.8602 7.0696 117.4112 62.4481 68.9247 174.9486 19 G 3.6471 7.0395 112.8328 45.3289 0.0000 170.2278 20 T 4.8004 7.4688 116.5199 61.5494 70.3195 174.3264 21 W 5.1268 9.2539 125.6914 55.1039 33.8631 173.8813 22 Y 5.8866 9.9434 118.1726 55.7004 42.1768 175.2579 23 N 5.6412 9.0144 120.5165 50.4489 40.0091 175.5327 24 Q 4.1152 8.6196 115.8407 58.9387 28.6907 177.4673 25 L 4.1203 8.0418 117.4502 55.7779 42.0539 177.6288 26 G 4.1056 8.1822 106.1626 44.8572 0.0000 173.8589 27 S 4.5835 8.4185 116.0154 58.7959 64.4915 173.1780 28 T 4.8936 8.8855 118.9188 61.7386 71.2579 172.9996 29 F 5.0490 9.3216 129.3316 56.5891 41.7940 174.0726 30 I 4.4624 8.3328 128.4093 59.7378 38.8595 175.4558 31 V 4.6186 8.0357 119.9489 59.5058 36.2618 174.8842 32 T 4.7087 8.6864 119.4563 61.7019 71.4096 172.7941 33 A 4.8776 8.8214 129.4555 50.1658 20.4836 177.1541 34 G 4.1446 9.6363 111.8625 44.0412 0.0000 174.5441 35 A 4.0815 8.6269 124.1359 55.0122 18.7413 178.9738 36 D 4.3433 7.9898 114.2116 54.2602 40.0746 177.4609 37 G 3.4704 7.9055 107.2563 44.7671 0.0000 173.2274 38 A 4.9620 8.2044 121.7770 51.2280 20.8094 176.3599 39 L 5.2987 8.6993 120.1223 53.1465 45.0320 175.9834 40 T 5.0000 9.1301 112.4022 59.5566 72.7639 174.6839 41 G 3.5774 6.8803 107.5066 46.4826 0.0000 170.9481 42 T 5.1988 7.7324 113.7297 60.5815 71.6699 173.5639 43 Y 5.0327 9.3177 127.3232 55.7764 42.3163 173.4891 44 E 5.1955 8.9619 128.3730 54.4289 31.7230 174.9852 45 S 4.9101 8.8394 122.4889 58.2802 63.1792 173.7776 46 A 4.7124 8.6091 126.4388 52.0694 19.6138 176.2246 47 V 4.2566 7.8174 108.9973 60.8337 35.1001 172.8941 48 G 3.5861 7.8653 111.8527 43.3811 0.0000 173.1640 49 N 4.9939 6.9654 135.0000 52.5063 38.6302 173.4039 50 A 4.5606 7.1278 127.9089 54.1093 21.3024 174.2249 51 E 5.3380 8.0812 118.5010 56.3275 30.6511 175.9722 52 S 4.8994 7.3087 114.6779 56.4854 66.6047 173.0432 53 R 5.1710 8.2709 116.5243 55.4685 31.3012 175.1180 54 Y 4.9454 9.0114 117.0644 56.2163 42.5826 175.0400 55 V 4.4875 8.5808 121.7563 62.8250 32.2605 175.0838 56 L 5.2117 8.7176 125.4580 54.5147 44.2643 175.0688 57 T 4.8178 8.5490 114.2449 61.2833 71.5544 173.1983 58 G 4.5882 8.6205 112.4162 46.2540 0.0000 171.8868 59 R 5.6022 8.7639 117.4277 55.0130 34.7837 174.1887 60 Y 5.2923 8.5756 118.1547 55.6809 41.4310 174.3611 61 D 4.3724 9.1465 121.1161 53.9067 40.8403 176.7647 62 S 4.2929 8.1809 120.5597 58.7904 63.8704 174.6942 63 A 4.6642 8.0630 123.5545 50.1858 18.8412 173.8609 64 P 4.7041 0.0000 0.0000 61.0608 32.1605 176.3654 65 A 3.9715 7.7806 122.5034 54.2000 18.5387 178.4274 *69 S 4.4130 7.9904 114.9090 56.8967 65.5510 174.9177 70 G 3.9324 7.9563 107.7438 46.4047 0.0000 172.8796 71 T 4.8453 8.8276 116.9088 61.4907 70.4447 174.6681 72 A 4.8735 8.7309 129.1105 52.2595 20.0660 175.9247 73 L 5.0035 8.5665 120.3778 55.5705 44.6734 173.6964 74 G 5.0205 8.9746 104.1893 46.2391 0.0000 172.4835 75 W 5.6520 7.8056 116.0893 55.8310 31.4825 173.2239 76 T 5.1947 9.2420 117.1517 61.8364 72.2290 173.2729 77 V 4.2920 8.6838 123.9170 60.9953 34.5462 173.8824 78 A 4.4250 8.3016 129.5831 49.5862 20.2604 178.0476 79 W 4.1820 8.5164 125.8262 55.0822 27.7692 176.0560 80 K 5.1969 7.7859 118.4632 54.9491 34.1142 174.5702 81 N 5.0717 9.1178 123.5088 51.8479 39.8432 174.3006 82 N 4.3725 8.8102 113.7677 56.2654 38.8430 175.5239 83 Y 4.4598 7.5352 112.5505 59.0266 39.2398 175.5488 84 R 4.6913 8.5893 117.8053 54.8631 33.5563 173.4605 85 N 5.1322 8.4480 119.0448 52.4049 40.3434 173.8272 86 A 4.2288 9.0191 128.9732 52.1827 19.6862 176.2954 87 H 4.1806 8.5045 113.3641 55.9165 26.9751 173.5004 88 S 5.1963 7.5739 111.0611 57.8637 66.9606 173.6812 89 A 4.9175 8.8910 120.6203 50.9976 22.8173 175.3890 90 T 4.8851 8.5488 117.3131 61.6630 72.3601 173.2158 91 T 4.8633 8.3832 115.1850 59.5964 71.9372 172.6435 92 W 5.0373 8.7302 125.2412 54.7473 32.0285 174.7102 93 S 4.9539 8.7303 118.7790 56.8271 65.0200 172.6148 94 G 4.5164 8.8027 114.0615 46.4664 0.0000 171.6654 95 Q 5.3156 8.6987 118.8588 54.9447 32.3884 173.6040 96 Y 4.9831 9.2312 123.9181 56.6829 40.7374 174.2249 97 V 3.9048 8.5172 126.7072 61.0028 34.1704 175.3512 98 G 3.8211 8.0361 115.9505 45.0592 0.0000 170.0928 99 G 3.8777 8.8258 104.2899 43.7063 0.0000 173.0077 100 A 4.1328 8.7671 122.2504 54.6199 18.7674 178.3123 101 E 4.6670 7.7239 111.3000 53.9555 29.1289 175.2774 102 A 4.4781 7.8388 123.1128 53.7340 19.6786 177.9780 103 R 5.3073 9.3610 119.0577 55.0163 35.7290 174.4155 104 I 4.9447 8.9228 121.6899 59.8875 40.2025 174.3297 105 N 5.3646 9.0906 126.1081 52.2331 40.3813 174.8279 106 T 5.3571 9.1397 113.0110 60.2909 73.3555 172.5269 107 Q 5.0540 9.0705 119.9195 53.8347 32.8655 174.8208 108 W 5.4320 8.5037 118.7422 54.6832 32.4090 173.7794 109 L 5.3015 8.6546 120.1181 52.8975 44.8170 175.2468 110 L 4.9964 9.1727 125.9277 53.6084 44.7375 174.9305 111 T 5.0400 8.8748 123.3867 61.9599 71.2353 173.6660 112 S 5.1501 8.5663 122.2450 56.6332 65.1832 174.3651 113 G 3.9313 8.8427 111.3422 46.5711 0.0000 173.1078 114 T 4.7705 8.1566 113.2680 59.8048 72.4002 173.2330 115 T 4.2582 8.0903 111.8390 60.9368 69.7954 175.4724 116 E 4.0298 8.6777 120.8781 59.3371 29.1157 179.3935 117 A 4.1911 7.4909 118.8759 54.0527 18.8097 178.2322 118 N 4.7120 7.8972 112.4279 52.9601 39.1594 176.3575 119 A 3.9999 7.5597 123.6629 54.8725 18.4704 178.8624 120 W 4.4132 8.3075 113.6132 58.6781 28.4056 176.7854 121 K 4.1697 6.4746 117.3495 55.7790 32.0601 176.5053 122 S 4.4696 7.7737 113.2760 59.9652 64.9943 173.9490 123 T 5.1766 7.6673 117.3043 61.8308 70.9381 173.2563 124 L 4.8599 8.8891 126.5763 53.0697 44.2851 175.8995 125 V 4.4601 7.8657 121.0252 60.2920 34.4999 174.8657 126 G 2.9347 6.8599 108.1264 45.6724 0.0000 171.2202 127 H 5.3560 7.9339 113.8650 54.0232 31.6952 172.6909 128 D 5.2450 9.1976 119.2535 53.0030 45.6294 174.4992 129 T 5.1196 9.1202 118.5487 61.9251 71.5323 172.9768 130 F 5.5774 9.5342 126.0307 56.1415 41.6985 175.0672 131 T 5.5284 9.3835 112.2655 60.0246 72.7075 174.3633 132 K 4.1325 8.8076 119.4836 56.5299 32.2563 177.5626 133 V 3.9824 7.6145 125.1903 62.9492 31.5034 175.0728 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 15 A 8.11 4.27 1.28 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 0.00 0.00 16 G 7.88 3.62 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 0.00 0.00 0.00 17 I 8.01 3.63 1.28 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 -0.36 0.44 0.00 0.00 18 T 7.07 3.86 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 1.09 0.00 0.00 19 G 7.04 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.47 4.80 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 0.82 0.00 0.00 21 W 9.25 5.13 0.00 3.30 3.34 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 22 Y 9.94 5.89 0.00 2.92 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 23 N 9.01 5.64 0.00 2.34 1.72 0.00 0.00 6.49 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 24 Q 8.62 4.12 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.12 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 25 L 8.04 4.12 0.00 1.90 1.82 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.18 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 0.00 0.00 0.00 27 S 8.42 4.58 0.00 4.15 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 28 T 8.89 4.89 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 1.06 0.00 0.00 29 F 9.32 5.05 0.00 2.68 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 30 I 8.33 4.46 1.72 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 1.06 0.38 0.76 0.00 0.00 31 V 8.04 4.62 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 -1.04 0.00 0.00 0.27 0.00 0.00 32 T 8.69 4.71 4.13 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 1.14 0.00 0.00 33 A 8.82 4.88 0.70 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 0.00 0.00 34 G 9.64 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 0.00 0.00 0.00 35 A 8.63 4.08 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 36 D 7.99 4.34 0.00 2.81 2.92 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 37 G 7.91 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.20 4.96 1.28 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 0.00 0.00 39 L 8.70 5.30 0.00 1.65 1.46 1.11 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.13 5.00 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 1.21 0.00 0.00 41 G 6.88 3.58 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 42 T 7.73 5.20 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 1.18 0.00 0.00 43 Y 9.32 5.03 0.00 3.10 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 44 E 8.96 5.20 0.00 2.09 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 2.28 2.46 0.00 45 S 8.84 4.91 0.00 4.27 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 46 A 8.61 4.71 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 47 V 7.82 4.26 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 0.70 0.00 0.00 0.83 0.00 0.00 48 G 7.87 3.59 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 0.00 0.00 0.00 49 N 6.97 4.99 0.00 2.90 2.90 0.00 0.00 5.73 7.26 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 50 A 7.13 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.08 5.34 0.00 2.02 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 1.93 1.91 0.00 52 S 7.31 4.90 0.00 3.70 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 53 R 8.27 5.17 0.00 2.16 2.04 0.00 3.00 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 54 Y 9.01 4.95 0.00 2.97 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 55 V 8.58 4.49 2.13 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 0.81 0.00 0.00 0.96 0.00 0.00 56 L 8.72 5.21 0.00 2.03 1.79 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.55 4.82 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 1.26 0.00 0.00 58 G 8.62 4.59 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 0.00 0.00 0.00 59 R 8.76 5.60 0.00 1.78 1.80 0.00 3.33 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 Y 8.58 5.29 0.00 3.07 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 61 D 9.15 4.37 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 62 S 8.18 4.29 0.00 3.94 3.21 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 63 A 8.06 4.66 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 64 P 0.00 4.70 0.00 2.27 2.18 0.00 3.44 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 65 A 7.78 3.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *69 S 7.99 4.41 0.00 4.04 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.96 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.83 4.85 4.58 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 1.50 0.00 0.00 72 A 8.73 4.87 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 73 L 8.57 5.00 0.00 2.10 1.97 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.97 5.02 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 75 W 7.81 5.65 0.00 3.55 3.27 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 0.00 76 T 9.24 5.19 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 1.15 0.00 0.00 77 V 8.68 4.29 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 -0.39 0.00 0.00 0.79 0.00 0.00 78 A 8.30 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.52 4.18 0.00 3.28 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 80 K 7.79 5.20 0.00 1.96 1.74 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.56 7.81 81 N 9.12 5.07 0.00 2.84 2.70 0.00 0.00 6.59 6.50 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 82 N 8.81 4.37 0.00 2.09 2.40 0.00 0.00 6.71 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 83 Y 7.54 4.46 0.00 3.04 3.02 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 84 R 8.59 4.69 0.00 1.92 1.90 0.00 3.13 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 1.62 1.63 0.00 85 N 8.45 5.13 0.00 2.69 2.59 0.00 0.00 6.95 7.96 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 86 A 9.02 4.23 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 87 H 8.50 4.18 0.00 3.37 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.57 5.20 0.00 4.02 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 89 A 8.89 4.92 1.14 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 0.00 0.00 90 T 8.55 4.89 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 -0.55 0.00 0.00 91 T 8.38 4.86 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 1.14 0.00 0.00 92 W 8.73 5.04 0.00 1.78 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 0.00 0.00 0.00 0.00 93 S 8.73 4.95 0.00 3.82 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 94 G 8.80 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 95 Q 8.70 5.32 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 9.23 4.98 0.00 3.01 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 97 V 8.52 3.90 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 0.93 0.00 0.00 0.90 0.00 0.00 98 G 8.04 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.83 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.77 4.13 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 0.00 101 E 7.72 4.67 0.00 2.09 1.98 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 2.18 2.30 0.00 102 A 7.84 4.48 1.55 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 0.00 103 R 9.36 5.31 0.00 1.79 1.90 0.00 3.14 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 104 I 8.92 4.94 1.79 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.12 1.09 0.00 0.00 105 N 9.09 5.36 0.00 2.73 2.81 0.00 0.00 6.11 6.43 0.00 0.00 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 9.14 5.36 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 1.46 0.00 0.00 107 Q 9.07 5.05 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 108 W 8.50 5.43 0.00 2.64 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.65 5.30 0.00 1.54 1.54 0.88 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.17 5.00 0.00 1.55 1.65 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.87 5.04 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 1.19 0.00 0.00 112 S 8.57 5.15 0.00 3.71 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 0.00 113 G 8.84 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.16 4.77 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 1.18 0.00 0.00 115 T 8.09 4.26 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 0.00 116 E 8.68 4.03 0.00 2.05 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 2.41 2.39 0.00 117 A 7.49 4.19 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 0.00 118 N 7.90 4.71 0.00 2.70 2.68 0.00 0.00 6.71 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 0.00 119 A 7.56 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.31 4.41 0.00 3.53 3.25 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 0.00 121 K 6.47 4.17 0.00 1.09 0.74 0.00 0.61 0.00 0.00 1.13 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.74 0.75 7.81 122 S 7.77 4.47 0.00 4.03 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 0.00 123 T 7.67 5.18 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 0.00 124 L 8.89 4.86 0.00 1.78 1.71 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.87 4.46 1.93 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 0.56 0.00 0.00 0.71 0.00 0.00 126 G 6.86 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 0.00 0.00 0.00 127 H 7.93 5.36 0.00 3.15 3.11 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.20 5.24 0.00 3.10 2.44 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 0.00 129 T 9.12 5.12 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 1.38 0.00 0.00 130 F 9.53 5.58 0.00 3.11 3.22 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 0.00 131 T 9.38 5.53 4.44 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 1.40 0.00 0.00 132 K 8.81 4.13 0.00 1.51 1.61 0.00 0.82 0.00 0.00 1.14 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.57 0.21 7.81 133 V 7.61 3.98 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 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.