NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.3495 8.2649 123.5705 52.3113 19.5325 176.8528 16 S 3.9767 7.5666 118.2711 55.8550 63.5160 174.0512 *17 Y 4.0897 7.5325 120.7562 53.2711 38.3957 176.1294 18 F 4.3599 6.6910 124.0588 57.2010 40.3749 174.6985 19 E 4.7034 8.3562 120.0309 53.9570 33.5215 173.5918 20 P 4.2160 0.0000 0.0000 63.4388 31.6782 177.1873 21 T 4.1086 8.6596 113.1469 63.5214 69.4540 173.8548 22 G 4.5248 7.5658 108.1102 43.6020 0.0000 170.8554 23 P 5.0506 0.0000 0.0000 62.9615 32.6262 175.4561 24 Y 5.1617 8.6095 120.3435 55.3755 41.9186 173.6624 25 L 4.7442 9.8054 124.3505 54.2315 44.5106 175.0482 26 M 5.0683 8.3821 123.9078 53.9292 35.0802 174.8246 27 V 4.0536 9.2696 128.9282 62.2556 32.4918 173.7301 28 N 5.2516 9.2039 128.2524 51.2408 39.5555 172.1194 29 V 5.2701 7.9632 115.0478 58.2766 35.4308 175.2882 30 T 4.1949 8.5519 121.9033 62.1949 69.5052 174.5000 31 G 3.8964 8.7450 115.8455 46.3821 0.0000 171.8096 32 V 4.7910 8.3068 121.2651 59.2058 35.0263 174.5537 33 D 5.0270 9.0392 123.4185 53.5074 41.0957 176.3192 34 S 4.3636 8.7638 114.0023 61.8429 63.6484 175.9964 35 K 4.4712 8.1850 120.5992 54.6154 31.2180 181.0859 36 G 4.1789 7.9560 111.4524 46.5579 0.0000 175.0135 37 N 4.1645 7.7109 116.7873 53.6720 39.0216 174.0220 38 E 4.3358 8.6778 123.7998 56.1707 30.5702 175.9135 39 L 4.6622 8.4069 122.9976 55.5804 44.8251 176.8562 40 L 4.5872 8.2716 119.1128 53.5505 45.3472 174.7958 41 S 4.9245 8.1851 118.6361 55.3989 62.1545 170.5295 42 P 4.4521 0.0000 0.0000 61.4417 32.1449 176.9150 43 H 4.0759 8.7864 122.6833 56.0559 30.3169 174.0934 44 Y 5.1450 8.6639 124.2112 57.1786 38.5565 176.0351 45 V 4.3767 8.2998 118.5590 60.1014 35.0701 172.9697 46 E 5.1045 8.3670 121.0538 54.5794 31.5408 174.9269 47 F 4.7394 9.3735 122.7726 54.7760 42.0675 172.9455 48 P 4.9508 0.0000 0.0000 62.4806 31.7720 175.7395 49 I 4.6740 8.3094 120.5760 59.5534 40.1237 176.1122 50 K 4.3777 8.4713 125.9843 52.9033 32.8507 172.9909 51 P 4.3740 0.0000 0.0000 62.7641 31.7032 175.7564 52 G 4.0085 8.5225 114.1606 46.1624 0.0000 174.1099 53 T 4.1730 7.6769 110.3872 61.8328 70.5278 173.3927 54 T 4.7271 8.1338 117.7190 61.6334 71.1805 174.3447 55 L 4.3161 8.2789 129.2429 53.4819 43.0621 176.0181 56 T 4.7474 7.9394 116.6063 59.9491 70.6453 175.9103 57 K 3.8857 8.9286 123.1176 59.6491 32.0196 178.2284 58 E 3.8749 8.1068 118.8673 59.4956 29.7384 178.9289 59 K 3.8628 7.9125 118.1896 59.2085 31.9205 179.4273 60 I 3.8679 7.7215 120.1299 64.6895 37.0231 178.3475 61 E 4.0495 8.0796 118.9960 59.5110 29.2234 178.8016 62 Y 4.0913 7.9089 119.5071 60.7065 38.7273 177.4965 63 Y 4.1673 7.8325 117.3902 60.3066 38.0907 178.0119 64 V 3.9071 8.2358 119.9093 65.7356 31.2616 177.9957 65 E 3.9421 8.6777 118.7819 59.3731 29.2089 178.9039 66 W 4.4307 7.7987 126.7484 60.6350 30.7542 177.0696 67 A 4.5922 8.0186 118.5077 54.2339 18.7182 179.3814 68 L 4.1474 8.0086 117.7091 58.0295 41.5615 179.3820 69 D 4.4748 8.7205 118.9823 57.1181 40.5301 178.4314 70 A 4.2568 7.8128 118.9706 54.3103 18.3028 178.6139 71 T 4.5786 7.9396 112.9369 63.6678 71.0129 173.4394 72 A 4.6967 8.5804 123.9361 49.2145 18.8948 172.6199 73 Y 4.1535 8.2787 119.8860 58.0453 39.1392 177.4992 74 K 3.6291 8.3587 125.3692 56.6377 31.0127 175.6008 75 E 4.1712 7.5403 119.2395 55.4242 30.8155 172.8038 76 F 4.1395 8.3767 129.1256 57.7478 39.0937 175.6254 77 R 5.0616 7.9075 118.5304 54.8080 33.2594 174.9813 78 V 4.3051 8.3819 112.5820 61.2725 31.8529 175.1425 79 V 3.9565 8.3536 122.8552 62.3512 33.2493 174.7607 80 E 4.5392 7.7204 120.9233 53.9787 31.9189 176.1263 81 L 3.8334 8.6937 128.7273 59.1994 42.2431 174.0340 82 D 4.8488 8.5546 112.0174 51.6886 42.4021 174.0076 83 P 4.2407 0.0000 0.0000 65.8947 31.4676 176.3287 84 S 4.1927 8.0038 113.5550 58.4715 62.2438 174.7944 85 A 4.4384 8.2017 132.0897 51.2858 17.1835 177.7076 86 K 4.3019 7.7565 125.4305 55.8328 31.8554 178.3873 87 I 5.5730 7.4941 120.5558 58.9001 36.6170 173.9785 88 E 5.3258 8.1298 124.8765 54.3080 33.1624 175.6983 89 V 4.6429 8.8037 121.4079 60.2799 34.6642 174.5720 90 T 5.1715 8.4495 119.3304 62.2117 72.1588 172.4782 91 Y 4.8690 8.4598 122.5152 56.4544 42.1390 172.1596 92 Y 4.7286 8.7756 119.8107 55.9883 41.3124 173.9097 93 D 4.8923 8.2588 127.7817 52.5788 41.5765 177.1304 94 K 4.3516 8.9863 126.2136 59.0858 33.1360 177.9069 95 N 4.6305 8.4653 117.1568 55.5690 39.0729 176.9647 96 K 3.9318 8.0641 115.3808 57.5209 32.2338 177.7661 97 K 3.9818 8.3090 116.0077 56.5926 29.9529 174.8852 98 K 4.6753 7.0041 117.1418 55.3905 36.8359 173.7460 99 E 4.6403 8.5517 120.8937 54.8778 30.7439 174.6401 100 E 4.2903 7.8981 125.8926 55.0762 31.9251 175.3134 101 T 4.6310 7.9935 120.2701 61.1619 69.2202 173.7670 102 K 4.1796 8.9902 126.3979 56.4954 34.0898 175.5771 103 S 4.8453 7.2579 112.8602 57.6900 64.9980 173.8853 104 F 4.7297 9.1131 125.3578 55.1393 42.2193 172.6905 105 P 4.8056 0.0000 0.0000 61.0739 32.9609 176.0056 106 I 4.3488 8.2698 123.0880 60.7118 36.9226 175.2322 107 T 4.7369 8.1921 116.9192 60.3985 71.7153 175.3869 108 E 4.1331 8.9321 120.5254 59.4449 29.8370 179.7284 109 K 4.1661 8.1346 118.6569 55.1407 32.6456 181.9360 110 G 4.3704 8.1588 105.6775 47.2224 0.0000 172.3569 111 F 5.1024 7.5132 112.3199 55.6422 41.0649 174.0562 112 V 4.2289 8.5075 120.9651 61.2917 32.7015 175.8145 113 V 3.5928 8.6565 125.2990 61.8992 32.1701 174.1140 114 P 4.8144 0.0000 0.0000 62.6879 31.0427 174.7685 115 D 4.3667 7.9668 117.9852 52.2838 41.5404 177.3660 116 L 3.6998 7.9645 117.4049 54.8688 40.5868 176.7992 117 S 4.6383 7.5390 113.2307 60.6855 63.0610 176.2942 118 E 3.9094 8.2205 119.5713 58.9195 29.3952 177.2596 119 H 4.7974 7.6325 112.6639 56.2186 31.3284 174.1266 120 I 4.5916 8.6801 119.8571 58.6801 40.4154 175.9574 121 K 4.0743 8.9016 129.0754 59.1171 32.6392 176.6410 122 N 5.2980 7.6501 114.6662 50.5913 36.5683 172.3247 123 P 4.3534 0.0000 0.0000 63.3170 33.6557 176.6668 124 G 3.0893 8.1355 109.3987 44.1467 0.0000 174.1389 125 F 4.5453 8.4544 127.9365 55.8909 37.4233 174.3730 126 N 4.6759 8.4766 118.6055 53.4633 40.4011 174.0036 127 L 5.5669 8.8031 124.2927 52.5732 44.9996 175.3975 128 I 5.7554 8.7588 127.1250 58.7852 39.6419 174.6485 129 T 4.7919 8.1242 115.8968 59.8519 72.7552 172.7842 130 K 4.8823 8.6171 122.1300 55.6757 33.4637 176.6851 131 V 5.3432 8.1010 123.8440 58.9245 34.7185 175.0604 132 V 4.2949 8.8932 124.8268 62.6109 31.9563 174.7451 133 I 5.0070 8.3371 121.8781 59.4888 39.4722 175.2294 134 E 4.6956 9.1847 121.8588 55.3629 32.0871 175.8542 135 K 4.1306 8.6119 119.7737 56.9870 32.7372 176.3799 136 K 4.1065 8.4047 120.8564 56.6251 32.0312 176.7592 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 8.26 4.35 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 S 7.57 3.98 0.00 3.67 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 *17 Y 7.53 4.09 0.00 2.28 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 0.00 0.00 0.00 18 F 6.69 4.36 0.00 3.03 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 19 E 8.36 4.70 0.00 1.90 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 2.16 2.31 0.00 20 P 0.00 4.22 0.00 1.81 1.89 0.00 3.24 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.69 0.00 21 T 8.66 4.11 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 1.20 0.00 0.00 22 G 7.57 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 23 P 0.00 5.05 0.00 2.44 2.27 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 24 Y 8.61 5.16 0.00 2.99 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 25 L 9.81 4.74 0.00 1.59 1.61 1.08 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.38 5.07 0.00 2.31 2.57 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.90 0.00 27 V 9.27 4.05 2.35 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 1.02 0.00 0.00 1.25 0.00 0.00 28 N 9.20 5.25 0.00 2.94 2.69 0.00 0.00 6.71 7.06 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 29 V 7.96 5.27 2.22 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 1.27 0.00 0.00 0.99 0.00 0.00 30 T 8.55 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 1.26 0.00 0.00 31 G 8.74 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 32 V 8.31 4.79 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 0.77 0.00 0.00 0.93 0.00 0.00 33 D 9.04 5.03 0.00 2.69 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 34 S 8.76 4.36 0.00 3.92 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 35 K 8.18 4.47 0.00 1.72 1.76 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.25 7.81 36 G 7.96 4.18 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 0.00 37 N 7.71 4.16 0.00 3.16 2.82 0.00 0.00 6.52 8.80 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 38 E 8.68 4.34 0.00 1.93 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 2.27 2.31 0.00 39 L 8.41 4.66 0.00 1.69 1.52 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.27 4.59 0.00 0.89 1.02 0.90 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.19 4.92 0.00 3.95 3.70 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 42 P 0.00 4.45 0.00 2.25 2.06 0.00 3.56 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.91 0.00 43 H 8.79 4.08 0.00 3.07 3.07 0.00 5.76 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 44 Y 8.66 5.15 0.00 3.01 3.17 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 45 V 8.30 4.38 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 0.80 0.00 0.00 -0.11 0.00 0.00 46 E 8.37 5.10 0.00 1.96 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 2.00 2.05 0.00 47 F 9.37 4.74 0.00 2.18 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 0.00 0.00 0.00 0.00 48 P 0.00 4.95 0.00 2.00 2.05 0.00 3.68 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 2.04 2.09 0.00 49 I 8.31 4.67 1.76 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.53 0.94 0.00 0.00 50 K 8.47 4.38 0.00 1.70 1.72 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.41 1.02 7.81 51 P 0.00 4.37 0.00 2.04 2.22 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 2.05 2.12 0.00 52 G 8.52 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 0.00 0.00 0.00 53 T 7.68 4.17 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 1.17 0.00 0.00 54 T 8.13 4.73 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 1.17 0.00 0.00 55 L 8.28 4.32 0.00 0.67 0.69 0.78 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.94 4.75 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 1.18 0.00 0.00 57 K 8.93 3.89 0.00 1.87 1.87 0.00 1.67 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.64 1.50 7.81 58 E 8.11 3.87 0.00 2.03 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 2.29 2.36 0.00 59 K 7.91 3.86 0.00 1.73 1.76 0.00 1.15 0.00 0.00 1.25 0.00 0.00 2.36 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.24 1.47 7.81 60 I 7.72 3.87 2.13 0.00 0.00 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 1.80 1.10 1.02 0.00 0.00 61 E 8.08 4.05 0.00 2.18 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 2.38 2.37 0.00 62 Y 7.91 4.09 0.00 2.85 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 63 Y 7.83 4.17 0.00 3.28 2.52 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 64 V 8.24 3.91 2.17 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 1.11 0.00 0.00 1.09 0.00 0.00 65 E 8.68 3.94 0.00 2.20 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 2.42 2.48 0.00 66 W 7.80 4.43 0.00 3.37 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 67 A 8.02 4.59 1.66 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 0.00 0.00 68 L 8.01 4.15 0.00 1.94 1.79 0.97 1.00 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 69 D 8.72 4.47 0.00 2.88 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 70 A 7.81 4.26 1.47 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 71 T 7.94 4.58 4.29 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 1.25 0.00 0.00 72 A 8.58 4.70 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 73 Y 8.28 4.15 0.00 3.14 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 74 K 8.36 3.63 0.00 1.64 1.71 0.00 1.51 0.00 0.00 1.18 0.00 0.00 2.63 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 1.13 7.81 75 E 7.54 4.17 0.00 1.78 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 1.47 1.66 0.00 76 F 8.38 4.14 0.00 3.26 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 77 R 7.91 5.06 0.00 1.68 1.71 0.00 3.31 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.18 0.00 78 V 8.38 4.31 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 0.87 0.00 0.00 0.97 0.00 0.00 79 V 8.35 3.96 2.22 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 0.77 0.00 0.00 0.96 0.00 0.00 80 E 7.72 4.54 0.00 2.05 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 2.27 2.33 0.00 81 L 8.69 3.83 0.00 1.72 1.71 0.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.55 4.85 0.00 3.00 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 83 P 0.00 4.24 0.00 2.09 2.16 0.00 3.75 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 2.05 2.17 0.00 84 S 8.00 4.19 0.00 3.89 3.87 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 85 A 8.20 4.44 1.40 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 86 K 7.76 4.30 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.71 1.49 7.81 87 I 7.49 5.57 2.03 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.36 1.15 0.00 0.00 88 E 8.13 5.33 0.00 1.96 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 2.31 2.31 0.00 89 V 8.80 4.64 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 0.98 0.00 0.00 0.41 0.00 0.00 90 T 8.45 5.17 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 91 Y 8.46 4.87 0.00 2.97 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 92 Y 8.78 4.73 0.00 3.23 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 93 D 8.26 4.89 0.00 2.41 2.31 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 94 K 8.99 4.35 0.00 2.03 2.15 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.21 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.56 7.81 95 N 8.47 4.63 0.00 2.89 2.91 0.00 0.00 6.99 7.27 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 96 K 8.06 3.93 0.00 1.56 1.77 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.30 7.81 97 K 8.31 3.98 0.00 1.94 1.98 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.37 7.81 98 K 7.00 4.68 0.00 1.68 1.80 0.00 1.39 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.19 1.25 7.81 99 E 8.55 4.64 0.00 2.02 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 2.24 2.52 0.00 100 E 7.90 4.29 0.00 1.16 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 1.94 2.19 0.00 101 T 7.99 4.63 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 1.15 0.00 0.00 102 K 8.99 4.18 0.00 1.90 1.53 0.00 2.01 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.66 7.81 103 S 7.26 4.85 0.00 3.75 3.52 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 0.00 104 F 9.11 4.73 0.00 1.78 1.69 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 0.00 105 P 0.00 4.81 0.00 2.12 2.00 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 106 I 8.27 4.35 1.95 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 1.58 0.86 0.99 0.00 0.00 107 T 8.19 4.74 4.29 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 1.28 0.00 0.00 108 E 8.93 4.13 0.00 2.01 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 2.23 1.88 0.00 109 K 8.13 4.17 0.00 1.77 1.75 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.00 7.81 110 G 8.16 4.37 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 0.00 111 F 7.51 5.10 0.00 3.27 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 0.00 112 V 8.51 4.23 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 0.78 0.00 0.00 0.98 0.00 0.00 113 V 8.66 3.59 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 0.56 0.00 0.00 0.46 0.00 0.00 114 P 0.00 4.81 0.00 2.40 2.32 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 115 D 7.97 4.37 0.00 2.80 2.57 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 0.00 0.00 0.00 0.00 116 L 7.96 3.70 0.00 1.82 1.43 0.78 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.54 4.64 0.00 4.00 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 0.00 118 E 8.22 3.91 0.00 1.67 1.91 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 2.28 2.28 0.00 119 H 7.63 4.80 0.00 3.20 3.67 0.00 5.60 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.68 4.59 1.95 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 1.27 1.54 0.79 0.00 0.00 121 K 8.90 4.07 0.00 1.79 1.86 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.46 7.81 122 N 7.65 5.30 0.00 3.04 2.95 0.00 0.00 6.04 7.75 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 0.00 123 P 0.00 4.35 0.00 1.67 2.04 0.00 3.72 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 2.06 1.94 0.00 124 G 8.14 3.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.45 4.55 0.00 3.00 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 0.00 126 N 8.48 4.68 0.00 2.73 2.77 0.00 0.00 6.40 6.62 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 0.00 127 L 8.80 5.57 0.00 1.86 1.60 1.01 1.15 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 0.00 128 I 8.76 5.76 1.90 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 1.06 0.80 1.00 0.00 0.00 129 T 8.12 4.79 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 1.29 0.00 0.00 130 K 8.62 4.88 0.00 1.68 1.79 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.44 7.81 131 V 8.10 5.34 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 0.65 0.00 0.00 1.02 0.00 0.00 132 V 8.89 4.29 2.18 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 0.94 0.00 0.00 1.01 0.00 0.00 133 I 8.34 5.01 2.02 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 1.15 0.82 0.91 0.00 0.00 134 E 9.18 4.70 0.00 1.91 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 2.27 2.39 0.00 135 K 8.61 4.13 0.00 1.26 2.21 0.00 1.47 0.00 0.00 1.59 0.00 0.00 2.34 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.19 1.24 7.81 136 K 8.40 4.11 0.00 1.67 1.70 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.54 7.81 * Residues marked with a * may have inaccurate shift predictions.