NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.1251 0.0000 0.0000 62.1125 32.7176 178.9338 3 S 4.2941 8.2494 109.7663 55.6006 65.5202 170.1282 4 V 2.9154 8.0915 122.3771 65.5848 33.2779 178.7368 5 E 3.9267 7.8024 120.5946 59.5279 29.3368 178.5833 6 S 4.2566 8.1505 112.9147 61.8149 62.1430 176.2260 7 F 4.7061 7.8310 119.1429 59.8330 38.7171 176.4082 8 E 4.4552 8.2829 116.6601 55.4505 30.1048 176.0856 9 L 4.1682 7.3726 121.7319 54.6500 42.9590 176.3884 10 D 4.7292 8.6269 125.2838 53.3414 39.9985 176.2732 11 H 4.3349 8.7930 123.9715 58.3216 29.0570 177.0848 12 N 4.5272 8.3508 116.0331 55.3362 38.5574 175.9585 13 A 4.4571 7.9777 119.8775 53.4197 19.5656 178.0350 14 V 3.6170 7.6556 108.3358 61.0563 32.2565 176.1094 15 V 4.3409 8.3161 120.7648 61.0122 32.4729 175.1039 16 A 4.5879 9.2763 129.9379 50.8431 19.3255 174.9455 17 P 4.7521 0.0000 0.0000 63.0503 32.9228 174.5848 18 Y 4.7928 7.9340 118.1859 56.4150 42.0456 173.0704 19 V 5.0565 8.7723 119.8069 61.2034 33.8827 174.5280 20 R 4.6812 9.3247 128.2404 54.7653 33.0357 173.8178 21 H 4.5869 9.1513 126.9961 55.8241 29.2935 173.8448 22 C 4.5754 8.6815 121.5890 58.8740 31.1629 174.0508 23 G 4.3335 7.5546 105.3775 45.0285 0.0000 172.3153 24 V 5.0915 7.9597 119.7436 60.1578 34.7459 174.3195 25 H 4.9090 9.1591 119.3460 53.8290 33.0587 172.5989 26 K 4.4321 8.7249 124.0138 56.3314 33.2341 176.1452 27 V 4.2222 8.3546 126.4029 62.2914 34.7778 176.6002 28 G 4.1202 8.7048 117.5196 45.4803 0.0000 172.5202 29 T 4.2482 8.4663 107.6189 63.1215 69.4975 175.0768 30 D 4.7680 8.0691 118.4352 52.5973 40.8403 174.7519 31 G 4.3045 8.1146 107.3811 45.2893 0.0000 173.2105 32 V 5.1646 8.0730 111.6340 59.6156 36.6964 174.3199 33 V 4.8444 8.8123 122.5362 61.2882 34.2642 174.1046 34 N 5.4799 9.2831 124.5964 51.3065 42.1835 173.2949 35 K 5.1220 8.8387 123.1152 54.6953 35.6719 174.7309 36 F 5.2970 9.4415 124.6457 55.7248 43.1334 173.6241 37 D 4.8257 9.6535 123.3803 53.3410 42.4512 175.5026 38 I 4.6140 8.7847 129.3840 60.0716 38.2622 174.5335 39 R 4.5133 8.5965 128.9214 55.0065 30.6416 176.4373 40 F 4.6342 9.3215 125.6659 59.7092 39.9970 176.0881 41 C 4.9222 8.2035 114.4667 57.5582 30.8460 174.0305 42 Q 4.0936 8.5803 123.0414 55.1153 29.0050 173.7173 43 P 4.4000 0.0000 0.0000 64.6445 31.7060 175.6041 44 N 4.3200 9.0678 117.9081 54.0062 36.3785 174.4625 45 K 4.4650 8.3922 117.2468 57.5284 34.4066 176.5130 46 Q 4.5985 7.7385 113.6051 54.3859 32.7659 173.6572 47 A 4.6989 7.9871 119.5022 51.1678 22.2172 175.8295 48 M 4.3765 8.5416 119.4978 54.5106 33.5584 176.7334 49 K 4.2409 8.3526 120.1129 55.4042 33.7169 176.2980 50 P 4.2122 0.0000 0.0000 65.9491 31.2145 178.8034 51 D 4.4836 7.9926 117.3541 56.7225 39.1158 178.5467 52 T 3.8328 7.8257 116.6968 66.3997 68.4802 176.3472 53 I 3.9355 7.7244 122.9355 64.0381 37.1402 178.0233 54 H 4.2593 8.3398 118.9097 59.6765 29.6575 177.4946 55 T 3.8566 8.0173 117.5987 66.5738 68.2467 176.5207 56 L 3.8652 8.2799 122.6062 57.7954 42.0163 178.5473 57 E 3.8249 8.4699 119.5068 59.6408 29.6504 178.5380 58 H 4.1636 8.3605 116.0621 58.9106 28.7958 177.8402 59 L 4.0652 8.1794 120.9073 57.8540 41.4920 179.6676 60 L 3.9271 8.2967 119.1369 57.6730 41.3052 179.4152 61 A 4.0237 7.9352 119.8284 55.1320 18.3799 179.1869 62 F 4.3349 8.3488 118.6490 61.0212 38.6044 176.7661 63 T 4.2021 7.9861 108.4757 63.0434 69.3727 176.8075 64 I 4.0861 7.7245 123.2634 63.4701 37.8104 177.9552 65 R 3.9367 7.9455 118.8657 59.2101 29.7126 178.9164 66 S 4.3116 7.1195 114.6032 61.3097 62.9614 176.0414 67 H 4.3137 8.0083 117.8952 57.9607 28.9426 176.9180 68 A 4.3873 8.0392 122.2574 54.1928 17.7173 179.0996 69 E 3.8601 7.7621 118.1150 59.3153 29.3440 179.2532 70 K 3.8691 7.8049 115.6237 58.3719 32.8535 175.9387 71 Y 4.5096 7.3353 118.3917 56.5670 38.4872 175.4061 72 D 4.5166 8.7716 125.0926 55.8278 41.3713 176.8698 73 H 4.8455 8.2648 114.0169 55.4435 29.2218 173.9904 74 F 5.2022 7.1424 113.6195 56.3890 40.6628 173.0024 75 D 4.8898 9.0850 118.4333 52.6450 45.5670 174.7601 76 I 4.3516 8.4381 122.1677 61.5616 37.4234 175.5354 77 I 4.2881 8.6357 128.0045 62.9973 38.6070 175.6629 78 D 4.6400 7.5760 117.8980 53.3270 44.5732 174.0746 79 I 5.1021 8.4308 123.5310 59.5385 40.6532 174.4573 80 S 5.1118 9.2380 124.6246 55.9847 67.3708 171.9352 81 P 4.3807 0.0000 0.0000 62.8705 32.2138 175.6056 82 M 4.3488 8.2077 121.5625 53.6973 32.9918 178.8035 83 G 3.7979 8.3762 113.7489 45.4691 0.0000 174.0923 *85 Q 4.1037 8.0493 114.8000 55.3888 30.5965 176.9554 86 T 4.5206 7.6790 106.8252 60.6601 70.1301 174.4141 87 G 4.3334 6.5315 108.5952 46.5194 0.0000 171.0737 88 Y 5.0311 8.0556 116.3369 56.5402 42.9118 174.0551 89 Y 4.9998 9.1721 119.6229 56.4523 40.7061 174.4403 90 L 5.2577 9.1428 125.5596 53.3245 44.9265 174.9164 91 V 4.9386 8.9193 126.5770 61.3501 33.8019 174.7616 92 V 5.1518 8.9700 120.5664 59.6442 36.2073 174.8373 93 S 4.8952 9.2898 118.0748 58.4342 65.3906 175.0255 94 G 4.1618 9.0752 108.6086 46.2443 0.0000 173.4012 95 E 4.5494 8.2290 117.3518 53.4871 29.3342 173.2722 96 P 4.6981 0.0000 0.0000 61.6667 33.1147 176.7506 97 T 4.6447 8.2129 109.0053 60.2538 71.8810 175.8148 98 S 4.0298 8.6395 117.7281 61.7313 62.9166 176.7258 99 A 3.9799 8.0226 122.9658 55.3525 18.0477 179.4147 100 E 3.9462 8.1797 117.0039 59.5083 29.4188 179.6244 101 I 3.3843 7.3581 119.9680 64.0158 37.0167 178.6558 102 V 3.6830 7.9744 119.4155 66.1234 31.4186 177.8337 103 D 4.4158 8.1698 118.6189 57.2517 40.6747 178.4639 104 L 4.1186 8.3107 121.1913 58.4148 42.0763 179.1635 105 L 3.9521 8.3516 119.2277 57.4094 41.4506 179.1758 106 E 4.0168 8.3785 119.4898 59.5527 29.5359 178.6808 107 D 4.3355 8.2211 118.8936 57.4266 40.7006 179.0033 108 T 3.7008 7.9236 116.2876 67.0400 68.5022 176.8033 109 M 4.2373 8.4111 120.7024 57.9970 31.6967 178.9955 110 K 3.9959 7.9860 118.3992 59.2134 32.5637 178.5647 111 E 4.1261 8.0431 119.5299 59.0950 29.6747 178.6013 112 A 4.1170 8.3016 121.1157 55.0643 18.2148 179.7657 113 V 3.7899 7.9553 109.8381 63.5259 31.6860 177.4061 114 E 4.3889 7.7571 116.3304 55.5320 30.1056 176.4397 115 I 3.9568 7.2428 121.6714 61.5004 37.6437 176.0054 116 T 4.4000 8.4275 113.6319 61.5950 70.1156 174.2180 117 E 4.5598 7.7407 122.0277 53.8460 32.4941 174.7404 118 I 3.7250 8.2501 127.3232 60.3035 36.3333 174.1633 119 P 3.8831 0.0000 0.0000 63.5878 31.6160 176.2289 120 A 4.0165 8.6570 121.5405 52.5184 16.4481 178.4848 121 A 4.3489 7.0692 122.3579 51.5409 17.1111 177.2419 122 N 5.0240 7.3830 119.0886 50.5206 40.8041 176.4832 123 E 3.9822 8.7949 119.0123 59.4805 29.7489 178.8404 124 K 4.0812 8.1852 118.7315 58.7033 32.6273 177.1089 125 Q 4.5302 8.3323 115.7361 55.6793 29.5713 174.5188 126 C 4.9441 7.8387 117.7602 57.4130 34.6596 174.1939 127 G 3.7982 8.7751 114.1710 47.7421 0.0000 174.2904 128 Q 4.6241 7.6093 119.5207 54.8771 30.1247 174.0002 129 A 4.1466 8.1222 124.0692 54.5202 19.0291 179.4610 130 K 4.1493 7.9791 113.8259 58.4432 32.6553 177.6367 131 L 4.3875 7.6024 122.5413 53.5692 40.2789 174.8699 132 H 4.9896 7.6307 116.9658 53.3198 33.3826 174.3558 133 D 4.5075 8.9225 121.3591 52.2844 42.5462 175.6322 134 L 3.9500 8.2635 127.9828 57.8552 42.3311 178.0340 135 E 4.0722 8.2934 118.2284 59.3459 29.4370 179.4723 136 G 3.6202 8.8233 106.9013 47.1452 0.0000 175.6233 137 A 4.0137 8.0608 123.3071 54.9249 18.3667 179.9284 138 K 3.9699 8.4514 117.3736 59.4865 32.0725 179.5535 139 R 3.9863 8.3147 119.2917 59.5111 30.0114 178.6610 140 L 4.2776 8.1217 118.8261 58.0806 41.5577 179.3856 141 M 4.4320 8.5249 118.9497 58.5254 31.7619 179.0383 142 R 4.0278 8.7102 118.8376 59.0110 29.9719 178.7952 143 F 4.2750 8.2761 119.9051 61.0931 39.7164 176.6868 144 W 3.7925 8.6477 127.8930 60.4228 30.3592 177.8748 145 L 4.2396 8.2321 117.3070 56.8027 41.1427 178.6432 146 S 4.3272 7.5020 112.8344 58.5579 63.6850 174.2873 147 Q 4.1437 6.7750 121.7707 55.0420 29.8196 175.8246 148 D 4.5172 8.0602 120.0594 53.8005 42.9435 178.0487 149 K 3.8806 8.5107 122.7808 59.5397 31.9275 179.5084 150 E 3.9956 8.0208 116.5374 59.3516 29.7137 178.6244 151 E 4.0736 7.8679 119.1686 59.0477 29.6953 178.8551 152 L 3.9631 7.7654 118.9189 57.1942 41.3745 178.6762 153 L 4.5621 7.4780 116.4829 54.5330 42.7452 177.4494 154 K 4.3180 7.7731 120.2686 54.4620 31.1247 177.1559 155 V 2.9326 8.0189 124.4566 64.7505 31.6519 177.4028 156 F 4.5717 7.8697 115.9600 56.6265 39.4033 175.5455 157 G 4.1807 7.8476 116.1225 46.1210 0.0000 174.1849 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 2 P 0.00 4.13 0.00 2.01 1.35 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.08 0.00 3 S 8.25 4.29 0.00 3.94 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 4 V 8.09 2.92 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 0.90 0.00 0.00 0.84 0.00 0.00 5 E 7.80 3.93 0.00 2.02 1.89 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 2.31 2.62 0.00 6 S 8.15 4.26 0.00 4.10 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 7 F 7.83 4.71 0.00 3.16 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 8 E 8.28 4.46 0.00 2.09 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 2.55 2.50 0.00 9 L 7.37 4.17 0.00 1.68 1.79 0.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.63 4.73 0.00 2.79 2.71 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 11 H 8.79 4.33 0.00 3.22 3.45 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.35 4.53 0.00 2.96 2.93 0.00 0.00 6.90 7.35 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 13 A 7.98 4.46 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 0.00 0.00 14 V 7.66 3.62 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 0.33 0.00 0.00 1.07 0.00 0.00 15 V 8.32 4.34 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 0.81 0.00 0.00 0.98 0.00 0.00 16 A 9.28 4.59 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 17 P 0.00 4.75 0.00 1.36 2.20 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 1.38 1.25 0.00 18 Y 7.93 4.79 0.00 3.10 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 19 V 8.77 5.06 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 0.91 0.00 0.00 1.23 0.00 0.00 20 R 9.32 4.68 0.00 1.88 1.99 0.00 3.07 0.00 0.00 2.77 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 21 H 9.15 4.59 0.00 3.27 3.16 0.00 5.78 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.68 4.58 0.00 3.23 3.12 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 23 G 7.55 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 0.00 0.00 0.00 0.00 24 V 7.96 5.09 2.15 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 0.69 0.00 0.00 1.03 0.00 0.00 25 H 9.16 4.91 0.00 3.02 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.72 4.43 0.00 1.75 1.71 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.50 7.81 27 V 8.35 4.22 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 0.91 0.00 0.00 1.00 0.00 0.00 28 G 8.70 4.12 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 0.00 0.00 0.00 29 T 8.47 4.25 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 1.22 0.00 0.00 30 D 8.07 4.77 0.00 2.73 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 31 G 8.11 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 0.00 0.00 0.00 0.00 32 V 8.07 5.16 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 0.71 0.00 0.00 1.09 0.00 0.00 33 V 8.81 4.84 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 1.08 0.00 0.00 0.96 0.00 0.00 34 N 9.28 5.48 0.00 2.70 2.52 0.00 0.00 6.13 8.40 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 35 K 8.84 5.12 0.00 1.75 1.55 0.00 1.27 0.00 0.00 0.95 0.00 0.00 2.70 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.39 7.81 36 F 9.44 5.30 0.00 3.08 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 37 D 9.65 4.83 0.00 2.95 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 38 I 8.78 4.61 2.09 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 1.33 0.90 0.59 0.00 0.00 39 R 8.60 4.51 0.00 1.25 0.66 0.00 3.11 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.50 0.00 40 F 9.32 4.63 0.00 3.14 3.33 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 0.00 41 C 8.20 4.92 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 42 Q 8.58 4.09 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 43 P 0.00 4.40 0.00 2.36 2.16 0.00 3.98 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 2.17 2.26 0.00 44 N 9.07 4.32 0.00 2.88 2.91 0.00 0.00 6.88 7.61 0.00 0.00 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 K 8.39 4.46 0.00 1.86 1.81 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.54 7.81 46 Q 7.74 4.60 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 47 A 7.99 4.70 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 48 M 8.54 4.38 0.00 1.82 1.98 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 49 K 8.35 4.24 0.00 1.72 1.69 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.39 7.81 50 P 0.00 4.21 0.00 2.12 2.07 0.00 3.57 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 51 D 7.99 4.48 0.00 2.90 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 52 T 7.83 3.83 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 1.19 0.00 0.00 53 I 7.72 3.94 2.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.55 0.78 0.00 0.00 54 H 8.34 4.26 0.00 3.23 3.43 0.00 5.61 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 55 T 8.02 3.86 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 56 L 8.28 3.87 0.00 1.74 1.75 0.79 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.47 3.82 0.00 2.45 2.33 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 2.41 2.52 0.00 58 H 8.36 4.16 0.00 3.37 3.28 0.00 5.69 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 59 L 8.18 4.07 0.00 1.77 1.73 0.91 0.91 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 60 L 8.30 3.93 0.00 1.44 1.54 0.24 0.47 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 61 A 7.94 4.02 1.36 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 0.00 0.00 0.00 62 F 8.35 4.33 0.00 3.02 3.26 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 0.00 63 T 7.99 4.20 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 1.47 0.00 0.00 64 I 7.72 4.09 2.00 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 1.57 1.75 0.96 0.00 0.00 65 R 7.95 3.94 0.00 1.78 1.91 0.00 3.34 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 66 S 7.12 4.31 0.00 4.04 3.84 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 67 H 8.01 4.31 0.00 3.33 3.47 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.04 4.39 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.76 3.86 0.00 2.13 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 2.27 2.40 0.00 70 K 7.80 3.87 0.00 1.56 1.69 0.00 0.92 0.00 0.00 1.33 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.74 0.21 7.81 71 Y 7.34 4.51 0.00 2.30 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 0.00 0.00 0.00 0.00 72 D 8.77 4.52 0.00 2.70 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 73 H 8.26 4.85 0.00 3.43 3.60 0.00 5.47 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 7.14 5.20 0.00 3.14 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 75 D 9.09 4.89 0.00 2.62 2.54 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 76 I 8.44 4.35 1.91 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.80 0.99 0.00 0.00 77 I 8.64 4.29 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.60 0.94 0.00 0.00 78 D 7.58 4.64 0.00 2.79 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.43 5.10 1.89 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.33 0.90 0.00 0.00 80 S 9.24 5.11 0.00 3.91 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 81 P 0.00 4.38 0.00 1.88 1.86 0.00 3.84 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 82 M 8.21 4.35 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.23 0.00 83 G 8.38 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 *85 Q 8.05 4.10 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 86 T 7.68 4.52 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 1.22 0.00 0.00 87 G 6.53 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 0.00 0.00 0.00 0.00 88 Y 8.06 5.03 0.00 2.93 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 89 Y 9.17 5.00 0.00 3.04 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 90 L 9.14 5.26 0.00 1.82 1.67 1.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.92 4.94 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 1.04 0.00 0.00 0.98 0.00 0.00 92 V 8.97 5.15 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.07 0.00 0.00 93 S 9.29 4.90 0.00 3.92 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 94 G 9.08 4.16 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 0.00 0.00 0.00 95 E 8.23 4.55 0.00 1.95 1.90 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 2.25 2.34 0.00 96 P 0.00 4.70 0.00 1.31 0.49 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.79 0.00 97 T 8.21 4.64 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 1.25 0.00 0.00 98 S 8.64 4.03 0.00 3.98 4.06 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 99 A 8.02 3.98 1.33 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 0.00 0.00 0.00 100 E 8.18 3.95 0.00 1.95 1.68 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 2.44 2.37 0.00 101 I 7.36 3.38 1.53 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.36 0.57 0.00 0.00 102 V 7.97 3.68 2.24 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 1.05 0.00 0.00 1.04 0.00 0.00 103 D 8.17 4.42 0.00 3.02 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 0.00 104 L 8.31 4.12 0.00 1.84 1.87 1.12 0.64 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 0.00 105 L 8.35 3.95 0.00 1.75 1.46 0.73 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.38 4.02 0.00 2.20 2.15 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 2.34 2.41 0.00 107 D 8.22 4.34 0.00 2.73 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 7.92 3.70 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 1.18 0.00 0.00 109 M 8.41 4.24 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 110 K 7.99 4.00 0.00 1.94 1.89 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.63 7.81 111 E 8.04 4.13 0.00 2.05 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 2.36 2.37 0.00 112 A 8.30 4.12 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 0.00 113 V 7.96 3.79 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 0.89 0.00 0.00 1.07 0.00 0.00 114 E 7.76 4.39 0.00 2.12 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 2.47 2.50 0.00 115 I 7.24 3.96 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.75 0.89 0.00 0.00 116 T 8.43 4.40 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 1.22 0.00 0.00 117 E 7.74 4.56 0.00 1.85 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 2.10 2.24 0.00 118 I 8.25 3.72 1.68 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.55 0.65 0.00 0.00 119 P 0.00 3.88 0.00 1.38 0.71 0.00 3.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.19 0.00 120 A 8.66 4.02 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 0.00 121 A 7.07 4.35 1.05 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 0.00 122 N 7.38 5.02 0.00 2.90 2.85 0.00 0.00 6.11 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 0.00 123 E 8.79 3.98 0.00 1.98 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 2.33 2.31 0.00 124 K 8.19 4.08 0.00 1.71 1.96 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 125 Q 8.33 4.53 0.00 2.31 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 126 C 7.84 4.94 0.00 3.12 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 0.00 127 G 8.78 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 0.00 128 Q 7.61 4.62 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 129 A 8.12 4.15 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 0.00 130 K 7.98 4.15 0.00 1.76 1.88 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.43 7.81 131 L 7.60 4.39 0.00 1.57 1.68 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 132 H 7.63 4.99 0.00 3.05 3.06 0.00 5.97 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.92 4.51 0.00 2.87 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 0.00 134 L 8.26 3.95 0.00 1.76 1.63 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.29 4.07 0.00 2.14 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 2.33 0.00 136 G 8.82 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 0.00 137 A 8.06 4.01 1.41 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 0.00 0.00 138 K 8.45 3.97 0.00 1.96 1.91 0.00 1.69 0.00 0.00 1.59 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.59 7.81 139 R 8.31 3.99 0.00 1.97 2.11 0.00 3.09 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 140 L 8.12 4.28 0.00 1.87 1.78 1.01 0.89 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 0.00 141 M 8.52 4.43 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.67 0.00 142 R 8.71 4.03 0.00 2.07 2.07 0.00 3.19 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.90 0.00 143 F 8.28 4.27 0.00 3.13 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 0.00 144 W 8.65 3.79 0.00 3.43 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 0.00 145 L 8.23 4.24 0.00 1.73 1.77 1.03 1.12 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 0.00 146 S 7.50 4.33 0.00 3.91 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 0.00 147 Q 6.78 4.14 0.00 1.56 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 1.99 1.70 0.00 148 D 8.06 4.52 0.00 2.59 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 0.00 149 K 8.51 3.88 0.00 1.76 1.83 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.49 1.46 7.81 150 E 8.02 4.00 0.00 2.09 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 0.00 2.22 2.36 0.00 151 E 7.87 4.07 0.00 2.01 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 2.32 2.25 0.00 152 L 7.77 3.96 0.00 1.68 1.50 0.29 -0.54 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 0.00 153 L 7.48 4.56 0.00 1.70 1.72 0.92 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 154 K 7.77 4.32 0.00 1.94 1.65 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.52 7.81 155 V 8.02 2.93 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 -0.51 0.00 0.00 0.65 0.00 0.00 156 F 7.87 4.57 0.00 3.02 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 0.00 157 G 7.85 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 * Residues marked with a * may have inaccurate shift predictions.