NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7040 8.3501 109.7363 45.3489 0.0000 175.9355 *2 A 4.0851 8.9335 119.4319 52.1120 20.0236 177.9682 3 T 4.2919 8.2678 108.0105 62.1813 69.4247 174.8328 4 V 4.5261 7.1099 114.1862 59.2179 35.6703 175.0446 5 R 3.9725 8.3880 121.4553 56.4216 30.5016 175.7641 6 L 4.7727 8.1806 124.1471 53.0822 42.7732 176.2108 7 L 4.2884 8.5644 125.7887 54.5705 42.4461 177.1200 8 D 4.6946 8.4935 122.8571 52.2377 41.7019 177.1173 9 D 4.2195 8.7111 118.3013 57.3208 40.4528 178.9409 10 A 3.9309 7.8466 119.9715 55.1546 18.7674 178.8549 11 E 3.9689 8.3944 117.2858 59.4774 29.7847 178.7976 12 I 3.5569 7.6979 120.1171 64.2883 36.8684 178.4859 13 S 4.2142 8.0047 114.2417 60.9569 62.8067 175.7586 14 T 4.3584 7.5214 111.5188 61.6597 70.2591 175.0628 15 L 4.6258 7.7618 123.4142 51.2774 41.9584 174.7276 16 P 4.2041 0.0000 0.0000 65.7906 31.3466 177.3778 17 E 3.9536 8.1939 116.4857 59.4180 29.3810 179.4554 18 V 3.8008 7.6365 117.6529 65.5151 31.7007 177.8101 19 K 3.8310 8.4525 119.6739 59.3197 32.0283 178.2787 20 A 3.9756 8.1880 121.3189 55.4101 18.1552 179.8637 21 V 3.3970 7.4486 114.9142 66.2466 31.6882 178.2630 22 F 3.5208 8.4026 117.5406 60.5359 38.6170 177.4825 23 D 4.3339 8.4542 118.8677 57.1189 40.5227 178.2885 24 D 4.2720 7.9449 118.6747 57.2749 41.1650 178.1410 25 I 2.6193 7.0572 120.5569 64.2765 36.9023 178.6454 26 R 4.2198 7.9205 119.6659 58.6378 29.6186 179.0600 27 A 4.0119 7.9440 119.9622 55.2745 18.4290 179.6489 28 T 4.0458 8.1121 113.8610 66.9194 68.7817 176.9669 29 R 4.2590 8.2017 117.9662 56.3901 30.2816 177.2227 30 G 3.9066 8.6860 106.4538 45.8877 0.0000 173.2640 31 S 4.6572 7.5129 111.6981 56.6182 65.3302 174.3380 32 D 4.5274 8.6326 124.9203 55.7172 41.1195 176.4897 33 F 4.4307 8.1110 122.9116 57.6307 39.6826 174.4044 34 V 3.8683 7.7519 127.5690 60.5696 33.6847 174.8147 35 N 4.4178 8.0546 124.1475 51.7783 38.7367 175.5022 36 N 4.3133 8.9422 116.2334 56.5421 38.3754 177.0607 37 I 3.2307 7.3582 120.0380 64.1480 37.8924 177.9399 38 W 4.2517 7.6868 119.2057 59.6564 28.7177 178.7792 39 R 4.4115 8.1343 117.8180 58.7077 29.4466 179.0146 40 G 3.5604 8.0940 105.9019 47.5608 0.0000 175.9971 41 L 4.0490 8.1612 121.3070 57.2887 41.3663 179.2722 42 A 4.1489 8.0996 119.9320 54.9614 18.2791 178.9960 43 N 4.6772 7.8964 114.3619 54.5719 39.1017 174.3580 44 D 4.7554 8.2556 119.5833 50.8446 42.1611 173.6894 45 P 4.2749 0.0000 0.0000 65.6425 31.3784 178.0882 46 A 4.0327 7.9560 118.7849 55.0795 18.4148 179.3183 47 L 3.9672 8.0200 118.6178 58.0068 42.1432 178.6833 48 L 4.2366 8.4105 123.0758 59.0764 41.9549 179.9411 49 K 4.2241 8.3695 123.4420 59.8868 31.5532 181.0732 50 R 4.1867 8.2388 119.3424 59.3875 29.8921 179.4624 51 T 4.0126 8.2955 115.5036 66.4768 68.5770 176.6842 52 W 4.5496 8.7398 130.3628 60.7812 30.6832 177.7467 53 E 3.6396 8.6103 118.7234 59.2869 28.7667 179.3747 54 Q 3.9303 7.8691 117.8518 58.9413 28.6131 178.9598 55 V 3.6171 7.6846 117.8283 65.9246 31.6667 177.5815 56 K 3.4836 7.1805 118.2243 59.5880 31.9364 178.6128 57 T 3.9545 7.4394 114.7588 66.3991 68.4332 176.1320 58 V 3.8148 7.5091 117.1296 62.5802 31.8047 175.5367 *60 V 3.6425 7.2671 115.9694 64.0108 32.1552 175.0920 61 G 3.8704 8.8528 114.1553 44.9309 0.0000 173.3614 62 E 4.0551 8.4307 114.5407 55.9858 30.0598 174.7036 63 G 3.9723 7.8163 108.1563 45.2281 0.0000 173.9122 64 A 4.0837 8.6952 121.1520 53.6398 18.6564 177.6756 65 L 4.8654 7.0797 115.2849 52.1215 45.2752 176.8772 66 D 4.6401 8.3517 121.5175 52.5425 41.7749 175.6572 67 P 4.2732 0.0000 0.0000 65.7429 31.0610 178.8183 68 L 3.9630 7.7785 117.8576 58.3769 42.2203 178.5002 69 T 4.0333 8.2747 114.8496 66.8349 68.7333 176.2615 70 R 4.1920 8.0522 119.7785 59.2391 30.0312 179.5543 71 E 4.3227 8.0820 117.3778 56.5850 29.4885 179.2514 *73 I 4.0676 7.7465 121.0880 61.6543 39.3628 177.4951 74 Y 3.8548 8.0994 120.6124 60.6263 38.4733 178.0929 75 L 4.0073 8.4522 121.2949 58.0858 42.2628 178.7793 76 A 4.0030 7.9760 120.3198 55.0953 18.3071 179.6071 77 V 3.4912 8.0297 116.9322 66.3275 31.6117 178.3794 78 S 4.1426 8.3260 115.0461 61.9361 62.5853 177.0312 79 T 3.8739 7.8648 118.0749 66.6465 68.0514 176.8529 80 A 4.0476 7.8604 121.3530 54.8225 18.4556 178.5191 81 N 4.5354 8.2511 112.5869 52.6961 39.0068 174.8836 82 S 3.5967 7.8799 114.2091 58.8372 61.7880 172.1991 83 C 4.5983 7.9962 119.2991 55.1594 38.1351 172.4210 84 S 4.0750 8.5874 123.4672 61.6406 62.1332 175.0552 85 Y 4.0250 8.1109 121.7319 61.1046 38.6010 178.7472 86 C 4.4357 8.4382 116.6422 59.6959 34.4967 175.7524 87 A 3.9876 8.1474 122.6407 55.4466 17.9790 179.2726 88 H 3.9963 7.9545 114.3507 59.0404 28.7821 178.1710 89 S 3.9705 7.9152 116.0485 61.8537 62.8006 175.9146 90 H 4.2921 8.2718 118.8259 57.6102 28.5622 177.8114 91 T 3.9005 7.7834 117.7659 66.2599 68.2286 176.6593 92 A 3.9428 8.1439 122.6003 55.0693 18.4354 179.5742 93 A 3.9036 8.2167 119.2394 55.1394 18.2156 179.6423 94 A 3.9525 7.8920 118.3086 55.4363 18.7762 179.7541 95 R 3.9723 8.1233 116.2802 59.4096 29.9255 179.1972 96 A 4.0903 8.0096 119.5235 54.7582 18.3491 178.7609 97 K 4.4599 7.7383 114.9865 55.4374 32.3126 177.2561 98 G 3.7315 7.4971 108.5747 46.4893 0.0000 174.4549 *100 T 4.1372 8.1833 114.2741 60.6254 71.2352 172.8687 101 P 4.2345 0.0000 0.0000 65.9909 31.4244 178.5654 102 A 4.0031 8.0379 118.6355 55.4573 18.2179 179.5896 103 Q 3.9397 8.1661 116.3838 59.2941 28.7779 178.2966 104 H 4.1782 8.6778 119.4959 59.3581 29.7808 177.1320 105 A 3.9325 8.2007 122.5295 55.0951 18.1565 179.2614 106 E 3.8474 8.1658 117.7679 59.2604 29.6798 179.0638 107 V 3.5875 8.0251 118.4814 66.0301 31.5489 177.9234 108 L 3.9415 8.0870 118.3463 57.8317 41.5000 179.2111 109 A 4.0089 8.1995 120.8087 55.4488 18.2355 179.8327 110 I 3.6891 7.9904 118.1767 64.4392 37.1938 178.7380 111 I 3.7894 8.0247 120.9040 64.2783 36.9561 178.6586 112 G 3.6284 8.4370 106.9163 47.7433 0.0000 175.4566 113 L 3.9253 8.0668 122.9476 57.7329 42.0718 178.8246 114 A 3.9525 8.4474 120.9485 55.1458 18.3085 179.4272 115 A 3.9093 8.1244 119.2583 55.1798 18.4142 179.6067 116 Q 3.8778 8.0955 118.2787 59.7193 29.1642 178.7357 117 T 3.9203 8.2286 111.0607 64.6753 68.7726 176.1729 118 N 4.2755 8.4704 119.3884 56.0879 38.5170 177.1144 119 A 3.9943 8.0065 122.0284 55.1235 18.2628 179.6321 120 L 3.9089 7.7746 116.1919 58.0421 41.7327 179.5482 121 V 3.7455 8.0776 118.4080 66.4377 31.1757 178.2492 122 T 3.9695 7.8160 114.2631 66.2814 68.3218 177.1204 123 A 4.1674 7.9247 119.7291 52.3891 18.9180 177.7701 *125 Q 4.0938 7.9890 116.7718 56.9299 30.1101 176.5259 126 I 3.7538 7.4001 118.7285 60.9733 37.7949 175.1340 127 P 4.4842 0.0000 0.0000 61.8253 32.1841 176.2660 128 V 3.7929 8.2427 120.4947 62.8334 32.1081 175.6653 129 D 4.3844 8.8112 127.3484 54.3052 41.3168 177.5076 130 E 3.9697 8.7078 120.6501 59.0813 29.9460 179.0312 131 A 3.9479 7.7203 121.5925 54.9490 18.4909 178.3800 132 F 4.7289 7.6160 113.2875 59.5481 39.0196 176.0079 133 L 4.5820 7.8884 119.4657 54.2211 42.2746 176.8924 134 V 3.7310 7.7257 121.9442 63.1187 32.1911 175.9944 135 D 4.5723 8.6212 124.2307 53.5716 39.6966 174.1247 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 0 G 8.35 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 0.00 0.00 0.00 *2 A 8.93 4.09 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 3 T 8.27 4.29 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 1.20 0.00 0.00 4 V 7.11 4.53 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 0.71 0.00 0.00 0.90 0.00 0.00 5 R 8.39 3.97 0.00 1.76 1.81 0.00 3.21 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 6 L 8.18 4.77 0.00 1.56 1.62 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.56 4.29 0.00 1.55 1.47 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.49 4.69 0.00 2.77 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 9 D 8.71 4.22 0.00 2.68 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 10 A 7.85 3.93 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 11 E 8.39 3.97 0.00 2.00 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 2.31 2.35 0.00 12 I 7.70 3.56 1.66 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.27 0.49 0.00 0.00 13 S 8.00 4.21 0.00 3.98 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 14 T 7.52 4.36 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 1.20 0.00 0.00 15 L 7.76 4.63 0.00 1.70 1.56 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.20 0.00 2.14 2.13 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 17 E 8.19 3.95 0.00 2.11 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 1.94 0.00 18 V 7.64 3.80 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 0.90 0.00 0.00 0.94 0.00 0.00 19 K 8.45 3.83 0.00 1.97 1.76 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.43 7.81 20 A 8.19 3.98 1.42 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 0.00 0.00 21 V 7.45 3.40 2.29 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 0.78 0.00 0.00 1.08 0.00 0.00 22 F 8.40 3.52 0.00 3.07 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 23 D 8.45 4.33 0.00 2.72 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 24 D 7.94 4.27 0.00 2.96 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 25 I 7.06 2.62 1.06 0.00 0.00 -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 -0.30 -0.36 0.08 0.00 0.00 26 R 7.92 4.22 0.00 1.94 1.96 0.00 3.11 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 27 A 7.94 4.01 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 28 T 8.11 4.05 4.64 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 1.37 0.00 0.00 29 R 8.20 4.26 0.00 1.83 2.00 0.00 3.12 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 30 G 8.69 3.91 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 0.00 0.00 0.00 31 S 7.51 4.66 0.00 3.86 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 32 D 8.63 4.53 0.00 3.01 2.74 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 33 F 8.11 4.43 0.00 2.95 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 34 V 7.75 3.87 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 0.22 0.00 0.00 0.67 0.00 0.00 35 N 8.05 4.42 0.00 3.07 2.90 0.00 0.00 6.24 6.96 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 36 N 8.94 4.31 0.00 2.84 2.88 0.00 0.00 6.41 7.43 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 37 I 7.36 3.23 1.49 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.95 0.01 0.00 0.00 38 W 7.69 4.25 0.00 3.17 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 39 R 8.13 4.41 0.00 2.08 2.23 0.00 3.35 0.00 0.00 3.59 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 40 G 8.09 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.16 4.05 0.00 1.98 1.85 0.68 0.53 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 42 A 8.10 4.15 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 43 N 7.90 4.68 0.00 2.66 2.91 0.00 0.00 6.68 8.37 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 44 D 8.26 4.76 0.00 2.72 2.55 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 45 P 0.00 4.27 0.00 2.22 2.15 0.00 3.68 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 2.14 2.20 0.00 46 A 7.96 4.03 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 L 8.02 3.97 0.00 1.94 1.93 0.96 0.98 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 48 L 8.41 4.24 0.00 2.13 2.00 1.33 1.18 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 49 K 8.37 4.22 0.00 1.81 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 50 R 8.24 4.19 0.00 2.09 2.07 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 51 T 8.30 4.01 4.61 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 1.32 0.00 0.00 52 W 8.74 4.55 0.00 3.05 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 53 E 8.61 3.64 0.00 2.03 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 2.60 2.51 0.00 54 Q 7.87 3.93 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 55 V 7.68 3.62 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 1.01 0.00 0.00 1.35 0.00 0.00 56 K 7.18 3.48 0.00 0.79 1.27 0.00 1.82 0.00 0.00 1.40 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.14 1.01 7.81 57 T 7.44 3.95 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 1.16 0.00 0.00 58 V 7.51 3.81 2.19 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 0.83 0.00 0.00 0.98 0.00 0.00 *60 V 7.27 3.64 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 0.82 0.00 0.00 0.88 0.00 0.00 61 G 8.85 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 0.00 0.00 0.00 62 E 8.43 4.06 0.00 2.00 1.76 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 2.23 1.88 0.00 63 G 7.82 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 0.00 0.00 0.00 64 A 8.70 4.08 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 65 L 7.08 4.87 0.00 1.62 1.54 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.35 4.64 0.00 2.95 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 67 P 0.00 4.27 0.00 2.19 2.16 0.00 3.60 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 2.12 2.16 0.00 68 L 7.78 3.96 0.00 1.77 1.70 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.27 4.03 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 1.22 0.00 0.00 70 R 8.05 4.19 0.00 2.09 2.07 0.00 3.15 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 71 E 8.08 4.32 0.00 2.18 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 2.35 2.51 0.00 *73 I 7.75 4.07 2.04 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 1.30 0.76 0.88 0.00 0.00 74 Y 8.10 3.85 0.00 3.21 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 75 L 8.45 4.01 0.00 1.91 1.78 0.96 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.98 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 77 V 8.03 3.49 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 0.98 0.00 0.00 0.92 0.00 0.00 78 S 8.33 4.14 0.00 4.12 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.86 3.87 4.42 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 1.22 0.00 0.00 80 A 7.86 4.05 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 81 N 8.25 4.54 0.00 2.77 2.86 0.00 0.00 7.15 7.91 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 82 S 7.88 3.60 0.00 3.92 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 83 C 8.00 4.60 0.00 3.10 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 84 S 8.59 4.07 0.00 3.98 3.91 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 85 Y 8.11 4.03 0.00 3.10 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 86 C 8.44 4.44 0.00 3.25 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 3.99 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 88 H 7.95 4.00 0.00 3.16 3.18 0.00 5.63 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 89 S 7.92 3.97 0.00 3.86 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 90 H 8.27 4.29 0.00 3.38 3.41 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.78 3.90 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 1.13 0.00 0.00 92 A 8.14 3.94 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 93 A 8.22 3.90 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.89 3.95 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 95 R 8.12 3.97 0.00 2.03 1.97 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 96 A 8.01 4.09 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 97 K 7.74 4.46 0.00 1.76 1.84 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.46 7.81 98 G 7.50 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 0.00 0.00 0.00 *100 T 8.18 4.14 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 1.30 0.00 0.00 101 P 0.00 4.23 0.00 2.18 2.18 0.00 3.62 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 2.13 2.19 0.00 102 A 8.04 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.17 3.94 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 104 H 8.68 4.18 0.00 3.27 3.44 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.20 3.93 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 0.00 106 E 8.17 3.85 0.00 2.13 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 2.31 2.36 0.00 107 V 8.03 3.59 2.29 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 1.01 0.00 0.00 0.98 0.00 0.00 108 L 8.09 3.94 0.00 1.89 1.68 0.78 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.20 4.01 1.39 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 0.00 0.00 110 I 7.99 3.69 2.02 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 1.52 0.73 0.91 0.00 0.00 111 I 8.02 3.79 2.01 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 1.46 1.03 0.91 0.00 0.00 112 G 8.44 3.63 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 0.00 0.00 0.00 113 L 8.07 3.93 0.00 1.86 1.86 0.92 1.05 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 0.00 114 A 8.45 3.95 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 0.00 115 A 8.12 3.91 1.39 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 0.00 0.00 116 Q 8.10 3.88 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 117 T 8.23 3.92 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 1.27 0.00 0.00 118 N 8.47 4.28 0.00 2.92 2.90 0.00 0.00 6.83 8.23 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 0.00 119 A 8.01 3.99 1.39 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 0.00 0.00 120 L 7.77 3.91 0.00 1.78 1.75 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.08 3.75 2.28 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 1.05 0.00 0.00 1.03 0.00 0.00 122 T 7.82 3.97 4.40 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 1.21 0.00 0.00 123 A 7.92 4.17 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.99 4.09 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.95 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 126 I 7.40 3.75 1.90 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 1.37 0.76 0.94 0.00 0.00 127 P 0.00 4.48 0.00 2.19 2.05 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 128 V 8.24 3.79 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 1.01 0.00 0.00 0.99 0.00 0.00 129 D 8.81 4.38 0.00 1.78 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 0.00 0.00 0.00 130 E 8.71 3.97 0.00 2.08 2.19 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 2.29 2.21 0.00 131 A 7.72 3.95 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 132 F 7.62 4.73 0.00 3.20 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 0.00 133 L 7.89 4.58 0.00 1.73 1.71 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.73 3.73 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 0.76 0.00 0.00 0.98 0.00 0.00 135 D 8.62 4.57 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.