NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3773 8.4293 121.4829 56.2905 30.7876 174.5170 3 F 4.9647 7.9866 117.2483 55.2419 41.7574 173.9987 4 L 4.4731 8.8996 122.1560 54.7077 41.9003 179.0564 *6 K 4.1383 8.4114 125.7748 57.3139 33.0209 174.7381 7 I 4.4825 8.0728 122.2878 59.7391 39.4869 175.7814 8 S 4.2869 8.7409 120.0450 60.3932 62.6308 173.1996 9 H 4.5062 7.3153 111.2530 54.8933 30.2750 172.3780 10 L 4.3251 8.4497 122.1040 54.2691 42.4837 175.4870 11 D 4.6929 8.7675 126.3743 57.2489 42.4130 175.0423 12 H 5.1738 7.8437 110.1660 55.8679 31.3393 172.1363 13 L 4.9009 8.3563 117.6881 54.3416 44.4319 174.8220 14 V 4.8258 8.3792 118.8814 61.1514 33.5593 174.3785 15 L 4.7832 8.8489 127.7882 53.3758 44.2555 175.3676 16 T 4.9714 8.4024 119.7748 62.3440 70.4452 174.1561 17 V 4.6476 8.8965 119.1628 59.2653 35.5333 176.9300 18 A 3.9561 9.4346 126.7349 54.9537 18.6297 178.4662 19 D 4.6528 7.7691 115.4095 52.0205 43.7930 175.4692 20 I 3.7344 8.7060 129.3621 64.2105 37.2355 176.6316 21 P 4.4199 0.0000 0.0000 65.2630 31.1623 178.7224 22 T 3.9398 8.3399 114.4448 66.9782 68.3384 176.8262 23 T 4.0944 8.0554 117.8191 66.9123 68.4929 176.9086 24 T 4.0443 8.5240 112.1781 64.8047 68.7680 176.5272 25 K 4.0687 8.3557 121.5752 59.1112 32.1294 178.9155 26 F 3.9968 8.3728 120.6446 61.7716 39.5388 176.9049 27 Y 4.1744 8.6446 116.3225 60.8031 37.5132 178.5482 28 E 3.9976 8.5485 119.8740 59.4016 29.4440 179.2889 29 K 3.9810 7.9676 118.3158 59.0860 32.3239 178.4304 30 V 3.8179 7.8082 117.5344 64.1352 31.8093 176.4230 31 L 4.4025 7.4433 114.5261 53.3798 42.4696 174.8315 32 G 3.4411 7.5644 111.4591 45.0840 0.0000 171.7410 *34 K 4.0973 7.9586 124.2195 55.9400 33.7478 173.9547 35 A 4.8384 9.4153 131.0864 51.9012 19.1500 176.7605 36 V 4.7841 9.2047 115.7385 59.5242 36.3443 174.6762 37 S 5.4629 8.5589 115.3261 57.1557 66.2757 172.8091 38 F 4.7187 9.0450 115.2311 55.9183 41.2295 174.8465 39 G 3.6502 8.8290 107.9529 47.2246 0.0000 176.3510 40 S 4.2429 8.3513 109.8780 57.6052 60.6479 173.8418 41 G 3.8850 7.7976 110.3134 46.0628 0.0000 171.4561 42 R 3.9749 7.4259 118.5352 55.3366 31.3680 175.9096 43 I 5.0666 8.2628 122.7285 59.6633 40.7141 174.3414 44 A 5.2648 9.1810 126.2187 50.6125 23.5428 174.6387 45 L 5.1629 9.1173 119.4314 53.1688 44.1747 175.7292 46 E 5.0967 9.1755 124.5834 54.8440 31.4656 175.9150 47 F 4.8932 8.3576 117.4080 56.7626 42.1217 174.2348 48 G 3.7139 8.3328 112.9189 47.6771 0.0000 173.4519 49 H 4.8088 8.7857 119.5898 55.1622 29.0992 172.9069 50 Q 4.8324 7.5963 119.4832 54.1545 33.0016 173.9436 51 K 4.7902 8.0763 117.2192 56.2659 36.7434 174.7727 52 I 5.0369 8.8740 121.6217 59.6336 39.9343 175.0324 53 N 5.0595 9.2417 125.2051 52.8972 40.0472 174.0381 54 L 5.2091 8.7532 122.8604 53.3930 44.0646 175.5766 55 H 5.0886 9.1401 120.7791 53.9781 31.9199 173.1540 56 Q 4.7256 8.4598 123.7296 54.8139 30.5594 174.7483 57 L 4.1186 8.6218 128.8358 57.1734 42.3284 177.3284 58 G 3.9344 10.4589 115.1168 45.7206 0.0000 172.8664 59 H 4.7442 7.9277 116.8355 54.8122 29.7952 173.4710 60 E 3.8659 7.7826 117.6085 55.7873 30.6246 176.5624 61 F 5.0198 7.8325 119.0037 55.8279 41.4639 175.1652 62 E 4.6379 8.6387 123.6613 54.2818 30.9590 174.4426 63 P 4.6481 0.0000 0.0000 62.2770 32.5256 174.8338 64 K 4.6076 8.0521 116.9193 54.9359 35.6990 175.4109 65 A 4.0941 8.4809 121.1999 52.4889 18.6889 177.5079 66 Q 4.1317 8.8360 122.1183 58.6933 29.3540 176.7179 67 N 4.9110 7.5984 114.8912 50.3957 38.6199 173.1198 68 V 3.6473 7.7446 120.0705 62.8850 32.4949 175.6758 69 R 4.4809 8.1765 126.5269 55.0789 32.5461 174.5719 70 T 4.1671 7.9067 115.7509 62.4240 69.3698 174.2695 71 G 3.9864 9.0397 110.9186 46.8159 0.0000 174.0675 72 S 4.5068 8.0978 111.2093 57.6981 63.9407 173.5625 73 A 4.6249 8.3933 124.1991 51.3146 21.2388 176.6505 74 D 4.9189 8.3725 119.4288 53.3621 43.0607 174.1607 75 L 4.6439 8.9345 125.9727 52.6319 45.7325 175.2925 76 C 4.9041 8.1874 122.2973 57.5910 33.7130 172.7158 77 F 4.9864 8.8508 125.5199 55.7727 41.3203 174.9067 78 I 4.6902 8.5041 123.6990 60.8285 38.1760 175.0166 79 T 4.7915 8.7103 121.0486 60.2961 69.8440 173.4223 80 D 4.7947 8.6984 124.8154 53.2066 40.1208 176.5097 81 I 4.0619 7.4357 121.2703 60.4552 38.1212 175.3323 82 D 4.3774 8.6525 123.0195 54.5689 41.4923 177.1512 83 L 4.0845 8.7238 128.5063 58.1620 42.4441 178.1542 84 S 4.2158 8.0187 112.1455 61.3152 63.2876 175.3483 85 D 4.3961 8.4013 120.4355 57.1851 40.8964 178.6848 86 A 4.3248 8.1190 118.4134 53.0884 18.0214 178.5293 *88 E 4.1133 8.2749 121.5307 57.7600 31.4126 177.3752 89 Y 3.8777 8.2287 118.1551 60.6321 39.1301 177.9112 90 V 3.5380 7.9663 119.0863 66.1282 31.5768 177.7285 91 E 4.1956 7.9057 119.0195 58.9170 29.1001 178.7809 92 N 4.3096 7.8986 114.9083 55.1630 38.6170 176.2781 93 Q 4.1854 7.4520 118.1884 55.4801 29.0771 176.3389 94 G 3.8323 8.0246 108.9672 45.2217 0.0000 173.4560 95 V 3.9840 7.2489 119.5482 61.2448 32.4938 175.1008 96 V 3.9796 8.2932 127.1207 62.3499 31.6336 175.8997 97 I 4.7242 8.0085 127.9520 59.6903 38.8390 174.4428 *99 E 4.0980 8.3209 120.5360 56.8239 30.1882 173.7422 100 G 4.6929 8.6901 108.7391 42.4392 0.0000 171.5964 101 P 4.8994 0.0000 0.0000 62.6593 32.3447 176.0795 102 V 4.6569 8.9343 115.9931 59.3274 36.0940 174.8813 103 K 4.6898 8.6782 123.1606 56.6032 32.9233 176.4057 104 R 4.7507 9.2136 122.8934 55.1554 35.4957 173.5821 105 T 4.6455 8.5093 116.4013 62.2674 69.8680 175.6156 106 G 3.9314 9.0688 116.3650 43.5150 0.0000 173.9284 107 A 4.0128 8.7652 121.6715 54.8084 18.1622 178.5482 108 Q 4.5274 10.0010 111.4210 55.2966 30.0843 176.7680 109 G 3.7630 7.3138 105.9515 44.6918 0.0000 171.9933 110 A 4.6928 8.3326 123.4701 52.2016 19.1420 177.5533 111 I 4.5896 8.7971 114.6737 59.3185 41.9913 174.0911 112 T 5.0955 8.4155 118.7543 61.9692 71.1564 173.8415 113 S 5.2906 9.4178 121.5206 56.6500 67.3410 172.8844 114 F 5.5869 8.6629 116.1134 55.5532 41.3405 173.0598 115 Y 5.2190 9.1269 116.3555 56.6064 42.1562 174.6342 116 F 4.9409 8.4517 116.3429 56.5830 42.0103 172.5999 117 R 5.2619 8.8021 117.5438 54.4534 32.7202 176.3401 118 D 3.7727 8.5168 122.1920 51.2647 40.9662 175.5374 119 P 4.0683 0.0000 0.0000 64.9056 31.2755 177.1830 120 D 4.5626 8.4705 117.1932 54.0163 41.1968 177.8627 121 G 4.0294 8.2824 108.3666 44.6494 0.0000 173.6750 122 N 4.5078 8.0734 117.2596 53.6003 40.0097 173.5963 123 L 4.6403 8.7130 125.1399 54.4213 43.7590 175.1858 124 I 4.6320 8.6103 127.7692 59.3356 39.8937 174.0453 125 E 4.3500 8.8648 128.6919 54.1692 31.7936 174.4386 126 V 4.6593 7.6421 127.5094 61.3309 33.6974 174.7227 127 S 5.1857 8.9345 122.4238 57.2736 67.9908 172.6630 128 T 4.9015 8.5853 115.0554 60.8022 70.5839 174.0265 129 Y 4.2934 8.7756 122.7153 58.3089 38.6068 176.1543 130 S 4.2347 8.0180 117.9496 58.4262 63.2678 173.8504 131 N 4.5171 8.7846 122.9063 53.8653 38.7364 174.3822 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 E 8.43 4.38 0.00 1.94 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 2.17 2.23 0.00 3 F 7.99 4.96 0.00 3.18 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 4 L 8.90 4.47 0.00 1.69 1.25 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 *6 K 8.41 4.14 0.00 1.81 1.81 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.45 7.81 7 I 8.07 4.48 1.88 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 1.31 0.85 0.92 0.00 0.00 8 S 8.74 4.29 0.00 3.85 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 9 H 7.32 4.51 0.00 3.25 3.22 0.00 5.57 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.45 4.33 0.00 1.63 1.67 0.97 1.22 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 11 D 8.77 4.69 0.00 2.81 2.60 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 0.00 0.00 0.00 0.00 12 H 7.84 5.17 0.00 3.30 3.19 0.00 5.14 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.36 4.90 0.00 1.75 1.79 0.98 0.44 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 14 V 8.38 4.83 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 0.60 0.00 0.00 0.99 0.00 0.00 15 L 8.85 4.78 0.00 1.62 1.56 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.40 4.97 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 17 V 8.90 4.65 2.27 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 0.79 0.00 0.00 1.00 0.00 0.00 18 A 9.43 3.96 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 19 D 7.77 4.65 0.00 2.76 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 20 I 8.71 3.73 1.90 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 1.58 0.44 0.96 0.00 0.00 21 P 0.00 4.42 0.00 2.30 2.14 0.00 4.19 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 2.13 2.07 0.00 22 T 8.34 3.94 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 1.25 0.00 0.00 23 T 8.06 4.09 4.51 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 1.44 0.00 0.00 24 T 8.52 4.04 4.34 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 1.30 0.00 0.00 25 K 8.36 4.07 0.00 2.08 1.98 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.70 7.81 26 F 8.37 4.00 0.00 3.19 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 27 Y 8.64 4.17 0.00 3.25 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 28 E 8.55 4.00 0.00 2.14 2.03 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 2.40 2.59 0.00 29 K 7.97 3.98 0.00 1.72 1.85 0.00 1.74 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.28 1.37 7.81 30 V 7.81 3.82 1.15 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 0.37 0.00 0.00 -0.05 0.00 0.00 31 L 7.44 4.40 0.00 1.83 1.53 0.88 0.83 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 32 G 7.56 3.44 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 0.00 0.00 0.00 *34 K 7.96 4.10 0.00 1.91 1.81 0.00 1.72 0.00 0.00 2.01 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.48 7.81 35 A 9.42 4.84 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 36 V 9.20 4.78 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 0.88 0.00 0.00 1.12 0.00 0.00 37 S 8.56 5.46 0.00 3.84 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 38 F 9.05 4.72 0.00 3.05 3.08 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 0.00 0.00 0.00 0.00 39 G 8.83 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 40 S 8.35 4.24 0.00 3.76 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 3.89 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 0.00 0.00 0.00 42 R 7.43 3.97 0.00 0.67 0.73 0.00 2.63 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.09 0.00 43 I 8.26 5.07 1.93 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 1.28 1.02 0.98 0.00 0.00 44 A 9.18 5.26 1.44 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 0.00 0.00 45 L 9.12 5.16 0.00 1.57 1.64 0.65 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.18 5.10 0.00 1.80 1.80 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 2.19 2.23 0.00 47 F 8.36 4.89 0.00 3.14 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 48 G 8.33 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 49 H 8.79 4.81 0.00 3.07 3.21 0.00 5.66 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.60 4.83 0.00 1.19 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 51 K 8.08 4.79 0.00 1.86 1.71 0.00 1.24 0.00 0.00 1.46 0.00 0.00 2.58 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.22 1.39 7.81 52 I 8.87 5.04 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.16 0.98 0.00 0.00 53 N 9.24 5.06 0.00 2.75 2.88 0.00 0.00 6.42 7.02 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 54 L 8.75 5.21 0.00 1.58 1.63 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 55 H 9.14 5.09 0.00 3.02 3.02 0.00 5.62 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 56 Q 8.46 4.73 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.02 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 57 L 8.62 4.12 0.00 1.58 1.59 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 58 G 10.46 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 59 H 7.93 4.74 0.00 2.99 3.06 0.00 5.65 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 60 E 7.78 3.87 0.00 1.85 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 61 F 7.83 5.02 0.00 2.94 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 62 E 8.64 4.64 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 2.29 2.25 0.00 63 P 0.00 4.65 0.00 2.19 2.08 0.00 3.53 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 64 K 8.05 4.61 0.00 1.87 2.10 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.45 7.81 65 A 8.48 4.09 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 66 Q 8.84 4.13 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.15 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 67 N 7.60 4.91 0.00 2.70 2.70 0.00 0.00 6.83 7.68 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 68 V 7.74 3.65 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 0.75 0.00 0.00 0.94 0.00 0.00 69 R 8.18 4.48 0.00 1.73 1.75 0.00 3.34 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 70 T 7.91 4.17 4.41 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 1.24 0.00 0.00 71 G 9.04 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 0.00 0.00 0.00 72 S 8.10 4.51 0.00 3.98 3.97 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 73 A 8.39 4.62 1.26 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 0.00 0.00 74 D 8.37 4.92 0.00 2.62 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 75 L 8.93 4.64 0.00 1.19 0.81 1.01 0.55 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 76 C 8.19 4.90 0.00 2.93 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 77 F 8.85 4.99 0.00 2.94 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 78 I 8.50 4.69 2.01 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 1.35 1.03 1.07 0.00 0.00 79 T 8.71 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 1.40 0.00 0.00 80 D 8.70 4.79 0.00 2.82 2.78 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 81 I 7.44 4.06 1.88 0.00 0.00 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 1.15 0.52 0.90 0.00 0.00 82 D 8.65 4.38 0.00 2.68 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 83 L 8.72 4.08 0.00 1.69 1.73 1.21 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.02 4.22 0.00 4.01 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 85 D 8.40 4.40 0.00 3.00 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 86 A 8.12 4.32 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 *88 E 8.27 4.11 0.00 2.09 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 2.24 2.26 0.00 89 Y 8.23 3.88 0.00 3.03 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 90 V 7.97 3.54 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 0.40 0.00 0.00 1.09 0.00 0.00 91 E 7.91 4.20 0.00 2.07 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 2.49 2.16 0.00 92 N 7.90 4.31 0.00 2.61 2.67 0.00 0.00 7.04 7.24 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 93 Q 7.45 4.19 0.00 1.82 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.84 0.00 0.00 0.00 0.00 0.00 1.93 2.06 0.00 94 G 8.02 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.25 3.98 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 0.80 0.00 0.00 0.86 0.00 0.00 96 V 8.29 3.98 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 0.91 0.00 0.00 0.96 0.00 0.00 97 I 8.01 4.72 1.94 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.28 1.20 0.00 0.00 *99 E 8.32 4.10 0.00 2.05 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 2.39 2.37 0.00 100 G 8.69 4.69 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 0.00 0.00 0.00 101 P 0.00 4.90 0.00 2.11 2.12 0.00 3.48 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 102 V 8.93 4.66 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 0.83 0.00 0.00 1.23 0.00 0.00 103 K 8.68 4.69 0.00 1.66 1.75 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.49 7.81 104 R 9.21 4.75 0.00 1.58 1.79 0.00 3.33 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.95 0.00 105 T 8.51 4.65 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 1.23 0.00 0.00 106 G 9.07 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 0.00 107 A 8.77 4.01 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 0.00 108 Q 10.00 4.53 0.00 1.67 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 109 G 7.31 3.76 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 0.00 110 A 8.33 4.69 1.26 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 0.00 0.00 111 I 8.80 4.59 1.57 0.00 0.00 0.67 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 1.02 -0.17 0.00 0.00 112 T 8.42 5.10 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 1.27 0.00 0.00 113 S 9.42 5.29 0.00 3.53 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 0.00 114 F 8.66 5.59 0.00 3.30 3.08 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 0.00 0.00 0.00 0.00 115 Y 9.13 5.22 0.00 2.98 2.80 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 0.00 116 F 8.45 4.94 0.00 3.24 3.38 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 0.00 117 R 8.80 5.26 0.00 1.75 1.86 0.00 3.22 0.00 0.00 3.42 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 118 D 8.52 3.77 0.00 2.20 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 0.00 119 P 0.00 4.07 0.00 1.97 2.07 0.00 3.18 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.69 0.00 120 D 8.47 4.56 0.00 2.80 2.75 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 0.00 121 G 8.28 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 0.00 122 N 8.07 4.51 0.00 3.01 2.81 0.00 0.00 6.70 6.74 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 0.00 123 L 8.71 4.64 0.00 1.77 1.53 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.61 4.63 0.78 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.03 0.81 0.00 0.00 125 E 8.86 4.35 0.00 1.69 1.60 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 0.00 1.69 1.47 0.00 126 V 7.64 4.66 0.78 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 0.98 0.00 0.00 0.91 0.00 0.00 127 S 8.93 5.19 0.00 3.57 3.53 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 0.00 0.00 0.00 0.00 128 T 8.59 4.90 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 1.28 0.00 0.00 129 Y 8.78 4.29 0.00 3.05 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 0.00 130 S 8.02 4.23 0.00 3.91 3.85 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 0.00 131 N 8.78 4.52 0.00 2.70 2.72 0.00 0.00 7.05 7.56 0.00 0.00 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.