NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9680 8.1400 116.1661 58.1989 64.6812 174.4503 2 L 4.0034 8.5254 122.7528 57.7708 41.8695 173.4101 3 V 3.6380 8.8198 119.0648 66.6566 31.5734 177.4709 4 Q 4.1227 7.9954 116.7855 58.6416 28.4155 178.4662 5 F 4.6030 8.3676 121.8839 61.4424 39.5597 177.0947 6 E 3.7326 8.6148 118.5544 59.8034 29.3814 179.3666 7 T 3.9124 7.7758 112.6571 65.0120 67.2099 175.7153 8 L 4.0110 7.7338 122.5786 57.6398 42.0608 178.7442 9 I 3.6972 7.4729 119.6610 64.6037 37.1150 177.9878 10 M 4.0772 7.9460 118.7787 58.4680 31.8796 177.9574 11 K 3.8767 7.7096 118.2948 59.7097 32.4677 178.2609 12 I 3.9891 7.9219 118.2367 63.3692 37.5071 176.9204 13 A 4.2457 8.5653 121.1495 51.7661 19.4998 177.3701 14 G 3.6843 7.8545 104.4009 46.5663 0.0000 173.5842 *16 R 4.0001 7.7641 113.3409 55.2367 30.5638 175.4160 17 S 4.5061 8.5220 113.6510 57.9997 64.3847 175.4442 18 G 3.7136 8.6754 115.6156 47.8694 0.0000 175.4637 19 L 4.0831 8.0608 121.5376 58.1297 42.1456 178.5975 20 L 4.2694 7.8203 115.8927 55.7363 41.8680 177.5672 21 W 3.9417 8.2244 116.7575 56.8219 29.5215 176.2080 22 Y 5.4152 8.7702 113.0912 57.6869 40.2310 176.9024 23 S 4.5824 8.8372 115.0198 60.5359 63.7571 174.0975 24 A 4.6008 7.6546 124.9217 51.5336 18.9015 174.6657 25 Y 4.8259 8.5452 122.2353 58.0535 40.3850 175.8852 26 G 3.7902 8.8755 118.8630 46.0598 0.0000 172.2232 27 C 4.6136 9.1999 115.2445 58.2842 40.7174 173.6007 28 Y 4.5393 8.1684 114.4355 57.7474 39.7530 176.2361 29 C 4.8271 8.2925 117.0593 59.5606 41.4800 174.7063 30 G 4.1937 7.7098 112.0378 44.4023 0.0000 174.2998 31 W 4.1577 8.7910 131.7400 59.0686 30.9044 178.4671 32 G 3.7150 7.8842 107.2048 44.6157 0.0000 172.5608 33 G 3.9636 10.5144 106.4169 45.6881 0.0000 172.6900 34 H 4.6769 7.3569 114.0906 55.3461 32.6397 173.1283 35 G 3.9559 8.7147 107.4532 45.2450 0.0000 172.5740 36 L 4.6630 7.9498 117.9054 51.7945 43.3571 174.8453 37 P 4.3991 0.0000 0.0000 63.2552 31.3560 176.5379 38 Q 3.8128 9.8829 124.6563 58.2663 29.1034 175.6808 39 D 4.3084 7.1835 114.3312 52.0041 41.9527 174.9748 40 A 3.9997 8.2969 119.4191 56.2454 18.4655 179.7333 41 T 4.0050 8.1000 112.6830 67.0822 68.7183 176.1835 42 D 4.7537 8.9575 119.8703 57.3906 41.2305 178.5382 43 R 4.0084 8.2401 118.9016 59.1350 30.1701 177.9075 44 C 4.0630 8.4415 116.5347 60.4676 35.5171 175.8161 45 C 4.3066 7.9587 116.3859 59.9561 37.5980 175.8758 46 F 3.8097 7.7342 121.2449 61.4685 39.1344 177.5500 47 V 3.4924 7.8303 111.9252 64.5507 31.1086 178.2111 48 H 4.0142 7.8477 117.8213 59.2258 29.7188 177.1264 49 D 4.1232 7.7824 120.5791 57.3614 40.3544 178.0553 50 C 4.1145 7.5616 116.3878 59.8871 41.0047 175.1158 51 C 4.3101 7.6208 118.9913 59.8828 44.0359 175.0713 52 Y 4.0426 7.8315 118.3373 61.1885 37.1379 179.0656 53 G 3.6234 7.8165 105.3337 47.2643 0.0000 174.3285 54 K 4.2767 7.8854 117.8746 56.1459 32.3097 176.0984 55 A 4.7234 7.8043 123.1643 50.7509 20.4494 177.3302 56 T 4.4533 8.0601 108.8533 61.4997 70.5930 174.4343 *59 D 4.4245 7.9638 121.7242 54.3225 42.5956 173.7115 *61 C 4.9144 7.5892 112.9667 55.1528 43.8593 172.5010 *67 N 4.4516 8.1448 116.8495 52.8577 38.4545 173.0224 68 P 3.8706 0.0000 0.0000 64.6622 31.6436 177.2948 69 K 4.3949 8.6560 118.5666 56.6097 33.0288 177.5271 70 T 4.3608 7.6956 107.0355 61.9867 70.3995 175.4311 71 V 3.6467 7.7371 122.3008 61.8951 31.5730 175.4477 72 S 5.3849 8.8156 117.5403 55.7431 65.0615 172.3244 73 Y 5.1689 8.0750 120.5541 55.4723 41.5470 174.0234 74 T 4.9158 8.6432 108.2236 60.2046 71.9888 172.5211 75 Y 5.4435 8.0778 119.9417 56.0229 41.5785 173.7153 76 S 5.0537 9.0215 115.1265 56.7759 68.2171 172.7297 77 E 5.2127 8.5197 118.3284 54.7145 32.6856 175.0485 78 E 4.2977 10.0930 122.3329 56.8286 31.8993 174.1991 79 N 3.9814 8.9924 124.0362 54.3022 35.8715 174.1895 80 G 4.7426 8.1113 100.4463 45.8232 0.0000 171.2616 81 E 4.7118 7.6300 119.3064 53.9379 32.7673 174.6533 82 I 4.6566 8.4258 127.3100 60.7690 38.7867 175.1994 83 I 4.4744 8.8324 127.7053 59.4397 39.4413 174.7517 84 C 4.6278 9.0036 124.9297 57.6424 40.7917 174.4299 85 G 3.7698 8.3837 106.6810 47.3294 0.0000 173.4503 86 G 4.0275 8.6938 107.3844 45.6343 0.0000 173.7567 *88 D 4.5367 8.2470 117.3430 53.3933 42.5641 175.8297 89 D 4.6713 7.7414 118.9174 51.1076 43.4208 173.9629 90 P 4.3698 0.0000 0.0000 66.1989 31.0985 178.8109 91 C 4.3418 8.5198 118.3578 59.1202 41.7338 175.8252 92 G 3.6625 8.0198 107.0743 47.9212 0.0000 175.5135 93 T 3.7008 8.3232 118.7694 66.6703 68.6302 176.3350 94 Q 3.8909 7.7564 120.9936 59.0138 29.0268 178.1003 95 I 3.8786 7.1817 119.3132 63.5940 37.2903 177.4719 96 C 3.2171 8.4319 120.6644 59.3052 39.2365 175.0737 97 E 3.7320 7.9898 120.8328 59.6595 28.8329 178.2772 98 C 4.2866 7.5572 114.4269 59.8401 38.3786 175.5907 99 D 4.3790 8.0917 120.5349 57.6869 40.5282 178.2932 100 K 3.7825 8.0267 119.1756 60.1482 32.0927 178.1468 101 A 3.9969 8.0559 120.6258 54.5429 18.2131 179.2584 102 A 3.7134 7.7891 119.3319 54.5228 18.8944 179.5997 103 A 3.9903 7.7797 118.8209 55.3200 18.5972 179.7474 104 I 3.6293 7.6905 118.3895 64.4964 36.9397 177.5098 105 C 4.1040 7.5428 118.1911 59.9068 44.5653 175.3969 106 F 4.5586 8.2722 119.1729 60.8608 38.3029 177.4702 107 R 3.9068 7.9561 116.7395 59.5909 29.9383 177.4521 108 D 4.6747 8.1014 115.3750 55.0279 41.5150 177.1138 109 N 4.9413 8.0250 116.5621 52.6131 39.3013 176.0098 110 I 3.6988 7.8145 122.9195 64.2904 37.0254 175.9395 111 P 4.2601 0.0000 0.0000 64.9806 31.2429 177.0789 112 S 4.7470 7.9759 109.8027 57.6222 63.4078 173.5750 113 Y 4.2218 8.5102 123.1368 58.4067 39.1157 175.1474 114 D 4.8048 9.4210 126.1772 52.3985 44.3011 175.5394 115 N 4.7017 8.9668 123.4140 54.4293 37.4345 176.3552 116 K 3.9764 7.3486 119.1989 58.6131 32.3346 176.7173 117 Y 4.3814 7.5389 115.3894 57.3336 37.9743 174.3216 118 W 5.2609 7.7706 131.1860 56.9736 31.4447 175.8260 119 L 3.1596 7.8530 127.0618 55.4815 38.5519 174.9922 120 F 4.1215 8.1631 120.6910 57.3667 39.8417 172.5136 121 P 4.0366 0.0000 0.0000 62.1573 31.3986 175.4620 122 P 3.9345 0.0000 0.0000 65.4886 31.5991 178.3615 *124 K 4.0820 7.9926 115.6432 56.3886 33.6593 176.1660 125 D 4.7549 7.7689 115.5128 54.5249 40.6600 175.7494 126 C 5.1287 8.0929 117.2010 56.8863 41.0982 175.1417 127 R 3.9494 8.0743 117.8867 56.9401 30.6543 176.8163 128 E 4.2521 7.9369 118.3770 55.7861 30.2548 175.3138 129 E 4.6789 8.4133 118.3648 54.8236 30.6714 174.9768 130 P 4.6399 0.0000 0.0000 62.5570 32.1751 175.7608 131 E 4.3308 8.4216 117.4275 54.9433 30.6429 174.8125 132 P 4.4915 0.0000 0.0000 62.9653 32.1192 177.3354 133 C 4.4678 8.6075 116.1476 57.4636 41.2289 173.9264 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 S 8.14 4.97 0.00 3.95 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 2 L 8.53 4.00 0.00 2.02 1.78 1.28 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.82 3.64 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 1.05 0.00 0.00 0.96 0.00 0.00 4 Q 8.00 4.12 0.00 2.20 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 5 F 8.37 4.60 0.00 3.51 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 6 E 8.61 3.73 0.00 2.03 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 2.31 2.27 0.00 7 T 7.78 3.91 4.31 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 1.34 0.00 0.00 8 L 7.73 4.01 0.00 1.94 1.66 0.13 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.47 3.70 1.96 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.58 1.03 0.00 0.00 10 M 7.95 4.08 0.00 2.16 2.07 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 2.60 2.60 0.00 11 K 7.71 3.88 0.00 1.86 1.84 0.00 1.87 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.52 7.81 12 I 7.92 3.99 1.96 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 1.43 0.75 0.89 0.00 0.00 13 A 8.57 4.25 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 14 G 7.85 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 *16 R 7.76 4.00 0.00 1.14 0.98 0.00 2.21 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.27 0.00 17 S 8.52 4.51 0.00 4.05 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 18 G 8.68 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.06 4.08 0.00 1.72 1.82 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.82 4.27 0.00 1.63 1.17 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 21 W 8.22 3.94 0.00 2.97 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 22 Y 8.77 5.42 0.00 3.15 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 23 S 8.84 4.58 0.00 4.14 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 0.00 24 A 7.65 4.60 0.76 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 0.00 0.00 0.00 0.00 0.00 25 Y 8.55 4.83 0.00 3.62 3.24 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 0.00 26 G 8.88 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 27 C 9.20 4.61 0.00 3.13 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 28 Y 8.17 4.54 0.00 3.34 3.13 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 29 C 8.29 4.83 0.00 3.37 3.69 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 30 G 7.71 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 0.00 0.00 0.00 0.00 31 W 8.79 4.16 0.00 3.38 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 32 G 7.88 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 10.51 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 0.00 0.00 0.00 34 H 7.36 4.68 0.00 3.28 3.28 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.71 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 0.00 0.00 0.00 36 L 7.95 4.66 0.00 1.66 1.59 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.40 0.00 1.84 1.85 0.00 3.49 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 1.30 1.41 0.00 38 Q 9.88 3.81 0.00 1.22 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.67 0.00 0.00 0.00 0.00 0.00 2.34 1.64 0.00 39 D 7.18 4.31 0.00 2.81 2.65 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 40 A 8.30 4.00 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.10 4.00 4.33 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 1.10 0.00 0.00 42 D 8.96 4.75 0.00 3.02 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 43 R 8.24 4.01 0.00 2.12 1.97 0.00 3.42 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 44 C 8.44 4.06 0.00 3.31 2.86 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 45 C 7.96 4.31 0.00 3.54 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 46 F 7.73 3.81 0.00 2.42 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 47 V 7.83 3.49 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 0.86 0.00 0.00 0.85 0.00 0.00 48 H 7.85 4.01 0.00 3.05 3.29 0.00 5.59 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 49 D 7.78 4.12 0.00 2.72 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 50 C 7.56 4.11 0.00 2.86 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 51 C 7.62 4.31 0.00 3.00 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 52 Y 7.83 4.04 0.00 2.91 2.90 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 53 G 7.82 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 54 K 7.89 4.28 0.00 1.91 1.81 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.39 7.81 55 A 7.80 4.72 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 56 T 8.06 4.45 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 1.18 0.00 0.00 *59 D 7.96 4.42 0.00 2.72 2.76 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 0.00 0.00 0.00 *61 C 7.59 4.91 0.00 3.11 3.30 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 *67 N 8.14 4.45 0.00 2.74 2.78 0.00 0.00 7.66 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 P 0.00 3.87 0.00 1.73 0.85 0.00 3.59 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 69 K 8.66 4.39 0.00 1.89 1.91 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.16 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.48 7.81 70 T 7.70 4.36 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 71 V 7.74 3.65 2.20 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 0.76 0.00 0.00 0.94 0.00 0.00 72 S 8.82 5.38 0.00 3.87 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 73 Y 8.08 5.17 0.00 2.89 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 74 T 8.64 4.92 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 1.23 0.00 0.00 75 Y 8.08 5.44 0.00 3.05 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 76 S 9.02 5.05 0.00 3.81 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 77 E 8.52 5.21 0.00 2.11 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 0.00 2.30 2.38 0.00 78 E 10.09 4.30 0.00 1.97 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 2.24 2.24 0.00 79 N 8.99 3.98 0.00 3.02 2.93 0.00 0.00 7.02 8.53 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 80 G 8.11 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 4.71 0.00 2.10 1.94 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 2.19 2.25 0.00 82 I 8.43 4.66 1.81 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.62 0.79 0.00 0.00 83 I 8.83 4.47 1.92 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 1.24 0.99 0.93 0.00 0.00 84 C 9.00 4.63 0.00 3.00 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 85 G 8.38 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 0.00 0.00 0.00 86 G 8.69 4.03 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 0.00 0.00 0.00 *88 D 8.25 4.54 0.00 2.71 2.76 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 0.00 0.00 0.00 89 D 7.74 4.67 0.00 2.69 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 90 P 0.00 4.37 0.00 2.28 2.28 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 91 C 8.52 4.34 0.00 3.01 3.18 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 92 G 8.02 3.66 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 0.00 93 T 8.32 3.70 4.36 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 1.17 0.00 0.00 94 Q 7.76 3.89 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 95 I 7.18 3.88 1.75 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.18 0.72 0.00 0.00 96 C 8.43 3.22 0.00 1.23 2.64 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 97 E 7.99 3.73 0.00 2.12 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 2.35 0.00 98 C 7.56 4.29 0.00 3.22 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 99 D 8.09 4.38 0.00 3.06 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 0.00 100 K 8.03 3.78 0.00 1.90 1.82 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.38 1.43 7.81 101 A 8.06 4.00 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 0.00 102 A 7.79 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.78 3.99 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 0.00 104 I 7.69 3.63 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.92 0.89 0.00 0.00 105 C 7.54 4.10 0.00 2.91 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 0.00 106 F 8.27 4.56 0.00 3.19 2.63 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 0.00 0.00 0.00 0.00 107 R 7.96 3.91 0.00 1.82 2.19 0.00 3.23 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 108 D 8.10 4.67 0.00 2.72 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 0.00 109 N 8.02 4.94 0.00 2.90 2.90 0.00 0.00 6.87 6.89 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 0.00 110 I 7.81 3.70 1.96 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 1.36 0.88 0.79 0.00 0.00 111 P 0.00 4.26 0.00 2.06 2.16 0.00 3.52 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 112 S 7.98 4.75 0.00 4.06 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 0.00 113 Y 8.51 4.22 0.00 2.96 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 0.00 114 D 9.42 4.80 0.00 2.75 2.48 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 0.00 115 N 8.97 4.70 0.00 2.99 3.20 0.00 0.00 5.90 6.44 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 0.00 116 K 7.35 3.98 0.00 1.67 1.55 0.00 1.59 0.00 0.00 1.32 0.00 0.00 2.76 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.11 1.25 7.81 117 Y 7.54 4.38 0.00 2.20 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 0.00 0.00 0.00 118 W 7.77 5.26 0.00 3.46 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 0.00 119 L 7.85 3.16 0.00 1.43 1.60 0.42 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.16 4.12 0.00 3.10 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 0.00 121 P 0.00 4.04 0.00 1.86 1.76 0.00 2.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.90 0.00 122 P 0.00 3.93 0.00 1.98 1.92 0.00 3.43 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 *124 K 7.99 4.08 0.00 1.56 1.78 0.00 1.45 0.00 0.00 1.43 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.40 7.81 125 D 7.77 4.75 0.00 2.21 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 0.00 126 C 8.09 5.13 0.00 2.97 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 0.00 127 R 8.07 3.95 0.00 1.77 1.94 0.00 3.35 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 128 E 7.94 4.25 0.00 2.04 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 2.43 2.28 0.00 129 E 8.41 4.68 0.00 2.14 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 2.29 2.33 0.00 130 P 0.00 4.64 0.00 2.53 2.41 0.00 3.86 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 131 E 8.42 4.33 0.00 2.12 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 0.00 1.93 1.47 0.00 132 P 0.00 4.49 0.00 2.11 2.07 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 133 C 8.61 4.47 0.00 2.91 2.90 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 * Residues marked with a * may have inaccurate shift predictions.