NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.6331 8.3649 120.5298 54.0552 42.2466 174.5394 7 L 4.6249 8.1289 123.3099 51.9597 44.7930 174.8253 8 I 3.8541 9.0095 124.6805 60.4829 38.4732 174.2421 9 P 4.2863 0.0000 0.0000 62.6057 31.7964 175.8820 10 A 3.4507 8.3001 124.7110 50.9142 19.0021 176.0669 11 P 4.3065 0.0000 0.0000 61.3832 32.5169 174.5651 12 P 4.3307 0.0000 0.0000 62.3370 31.9917 177.8899 13 L 4.1559 8.3706 121.4663 56.8814 41.7958 179.5256 14 S 4.1136 7.8470 112.7257 60.7281 63.0827 175.0580 15 K 4.1065 8.1095 118.9029 56.2740 31.9033 176.5815 16 V 4.2384 7.2241 119.5032 60.1143 32.5167 173.5051 17 P 4.3609 0.0000 0.0000 62.2730 31.9812 174.9917 18 L 4.9587 7.9687 123.0448 52.9604 43.7559 175.7631 19 Q 4.0655 8.5886 128.1475 56.5870 29.3294 176.3286 20 Q 4.1001 8.8664 125.4164 56.1920 29.7077 175.4546 21 N 4.1418 8.7510 118.5005 54.1698 37.5131 174.4334 22 F 4.4438 8.2847 118.1221 58.8773 40.5738 174.9466 23 Q 4.3192 7.7215 126.0142 52.8629 30.0457 175.7066 24 D 5.2865 8.4967 127.1267 56.0121 39.0128 177.9176 25 N 4.2057 8.3051 117.7568 57.0820 38.5740 176.6100 26 Q 3.8204 7.5590 117.2518 58.5930 28.7882 178.1340 27 F 4.6506 8.0560 120.8529 59.6828 39.6722 175.3186 28 Q 4.4503 7.2035 115.9040 56.5990 29.2410 176.1080 29 G 3.6269 10.0294 104.2754 43.8473 0.0000 171.7091 30 K 4.4313 7.8290 119.6265 55.2371 33.3794 177.2296 31 W 4.9986 8.4955 126.0388 55.0985 32.5577 173.9968 32 Y 4.5923 9.1656 122.1461 56.8967 39.6982 175.3324 33 V 4.1668 8.1165 123.7709 62.0874 30.9090 175.5391 34 V 4.1357 8.5090 127.7111 63.6259 32.4616 176.0552 35 G 3.6987 7.4563 106.7631 44.9529 0.0000 171.6575 36 L 5.3612 9.2852 125.8083 53.2220 45.5810 174.9540 37 A 5.1042 9.3834 127.0230 50.1189 23.1817 175.2321 38 G 4.1637 8.1802 109.2453 45.4071 0.0000 173.6754 39 N 4.2971 7.4713 117.4574 54.2266 37.2895 175.3657 40 A 4.6090 7.6621 119.8519 51.8988 20.2912 176.0383 41 I 4.3761 7.7600 117.9020 59.9667 38.8365 174.8431 42 L 4.8331 8.0253 124.4868 53.8424 45.4092 176.7447 43 R 4.0887 9.1803 127.5796 58.3209 30.2601 172.8791 44 E 4.3167 8.8840 118.1219 56.0189 30.9480 176.9658 *48 P 4.1037 0.0000 0.0000 63.4125 32.9879 176.6492 *49 Q 4.1362 8.5809 123.1902 56.0999 28.8862 173.2232 50 K 4.6745 8.6648 124.0533 54.7825 33.4226 176.6671 51 M 4.4826 8.7895 124.4181 56.0313 33.0747 174.8036 52 Y 5.2022 8.5738 121.7864 55.3171 42.4276 173.4844 53 A 5.0612 9.0310 120.3773 50.4766 23.2904 175.2487 54 T 4.9285 8.7688 115.4751 61.9678 72.8550 173.1070 55 I 4.7573 8.9465 127.7953 59.9364 39.0253 174.2730 56 Y 4.3995 9.1639 125.9366 56.5496 39.7448 174.7966 57 E 4.7532 8.9667 127.7776 54.0367 30.8952 174.6268 58 L 4.3324 8.2410 130.6543 55.3223 42.2275 176.5520 59 K 4.5108 9.3255 128.8038 55.5975 33.6109 178.2962 *60 E 4.1115 9.1011 119.3148 59.2850 29.5415 178.4331 61 D 4.5909 8.0146 114.4007 53.5395 39.8030 176.8875 62 K 3.9304 9.2785 118.8379 57.1638 30.1051 175.7344 63 S 4.9615 8.6861 115.7058 57.3493 65.9906 172.4654 64 Y 5.0623 8.8338 119.5961 56.5126 40.2440 174.4974 65 N 4.9857 9.0741 123.7478 52.7168 40.7961 173.6685 66 V 4.4928 8.5946 126.3803 61.1950 34.2000 173.9422 67 T 5.0715 8.4700 122.4973 60.3962 70.6698 172.3605 68 S 5.3266 9.7803 125.7543 56.8688 65.6741 173.0852 69 V 4.8549 8.9101 124.6833 61.1275 33.8965 174.3560 70 L 5.2706 8.8567 126.4921 52.9727 46.3931 175.1931 71 F 5.4568 9.0585 126.4524 57.7997 40.4839 176.0209 72 R 4.2967 9.1932 127.1901 56.3990 33.6552 172.2912 73 K 3.6826 9.2603 123.4894 55.2207 28.8297 172.1079 74 K 3.9654 7.4078 112.4492 57.1475 31.1924 174.1278 75 K 4.7886 7.8354 113.6151 54.8907 36.4737 174.3836 76 C 5.1714 8.7494 117.8863 56.0652 42.4643 173.0442 77 D 4.9122 9.3361 124.9715 52.9161 42.4684 175.1177 78 Y 5.2273 8.5679 120.9138 56.0522 40.5466 175.2125 79 W 4.9495 9.3553 122.9660 54.8302 32.6477 174.3410 80 I 5.1077 8.5590 117.8439 59.5453 40.0768 174.7600 81 R 4.7915 8.6983 121.9770 55.7975 34.9651 173.4866 82 T 5.0686 8.5555 114.6869 62.2081 72.7739 173.2793 83 F 5.7057 9.4376 124.6999 56.1024 41.6457 174.7452 84 V 4.9779 9.2052 117.7379 57.8767 34.1938 173.6936 85 P 4.4276 0.0000 0.0000 63.8652 31.5413 176.5914 86 G 4.0701 7.9648 114.3534 45.7329 0.0000 173.6227 87 S 4.3421 8.8643 113.9844 60.4399 63.7569 174.4295 88 Q 4.6203 7.2429 119.6496 52.8268 30.5807 173.2858 89 P 4.4882 0.0000 0.0000 63.8911 32.1232 176.6744 90 G 2.9098 8.3816 110.1396 44.5068 0.0000 172.8067 91 E 4.7983 7.2924 118.8418 54.8359 32.3752 175.1198 92 F 5.4768 9.0536 119.7488 56.4263 44.1964 173.5391 93 T 5.1088 9.5900 111.7097 59.6209 72.5554 172.5903 94 L 4.6320 8.5909 124.4711 54.0038 42.5121 176.5296 95 G 3.7889 10.1407 115.1906 47.4650 0.0000 172.7701 96 N 4.2899 8.9576 120.9729 53.7345 36.7002 176.0377 97 I 3.9353 7.9972 121.3021 64.7665 38.5928 178.2643 98 K 4.0700 8.0728 120.7846 57.3188 31.5748 180.3421 99 S 4.2081 7.7588 110.2253 59.2258 63.2207 173.4528 100 Y 4.5940 7.5022 120.8358 55.6640 38.2030 173.4431 101 P 4.2587 0.0000 0.0000 63.8602 32.0176 177.1438 102 G 3.9770 9.0770 111.6696 45.4212 0.0000 172.5154 103 L 4.7203 7.5286 121.8536 54.9571 41.5762 175.7551 104 T 4.6293 9.0763 118.1259 62.8288 70.3877 175.1627 105 S 4.9038 7.8900 114.6151 57.1376 66.9672 172.5412 106 Y 5.1133 8.3716 120.4972 56.7502 41.6723 173.3877 107 L 5.0092 9.0071 127.7754 53.5704 46.3672 174.6445 108 V 4.7252 8.8867 124.5796 61.0714 35.2381 174.2733 109 R 4.7448 8.6510 126.9484 54.3353 33.4040 174.0925 110 V 3.6038 8.6448 128.1544 63.2297 31.8451 176.6561 111 V 4.2783 8.9776 129.6527 64.9987 31.5724 176.0590 112 S 4.8048 7.2209 113.2287 57.7175 66.1717 172.4824 113 T 4.4592 8.0624 113.2482 61.9176 70.5420 172.5111 114 N 4.8445 8.0311 122.9423 52.0743 37.8153 176.5173 115 Y 3.8070 7.9574 122.7126 59.8897 37.5775 170.6967 116 N 4.7375 9.0774 114.2744 52.9923 38.6097 174.6844 117 Q 4.6479 8.3808 116.3888 57.4370 32.0686 174.5676 118 H 5.8684 8.9818 112.6113 54.4706 32.2146 171.6969 119 A 4.9440 8.7319 119.7059 50.8009 23.2330 174.8937 120 M 4.8177 9.0465 119.6266 53.7081 35.3308 174.4523 121 V 4.5633 8.1866 125.9539 60.8814 35.0291 173.7059 122 F 5.4059 8.5277 129.6166 56.6850 41.7196 174.2243 123 F 5.0963 8.5614 124.1400 55.4496 42.3580 173.9555 124 K 5.0637 8.6444 124.5700 54.5978 35.8280 174.8394 125 K 4.9750 8.7062 123.5464 55.8783 36.7234 174.8026 126 V 5.3240 9.2001 121.9078 60.4308 33.7543 174.3773 127 S 5.6842 8.3616 122.0068 55.8872 65.8970 174.0805 128 Q 3.4146 9.1689 122.0683 58.1561 25.8551 173.7074 129 N 4.3068 8.3201 109.5517 54.0719 37.3445 174.7403 130 R 4.3184 7.5880 116.7739 54.7404 31.6525 174.8657 131 E 4.8514 8.2575 122.2509 55.1525 30.6758 174.5130 132 Y 5.2323 8.7747 125.1199 56.5265 41.1968 174.8984 133 F 5.8248 9.3659 115.6257 55.8959 41.9479 173.0556 134 K 4.6386 8.0562 117.3675 56.4222 36.1154 174.2386 135 I 5.4537 9.3890 121.7510 59.9760 41.3070 174.5250 136 T 4.9221 8.8518 116.9759 59.8048 71.8772 173.1796 137 L 4.2877 8.4093 126.9038 53.7715 43.5578 174.5526 138 Y 5.3660 9.4803 125.8047 56.8919 39.9544 175.1669 139 G 4.7750 9.5325 110.4404 44.5896 0.0000 173.7578 140 R 4.2649 9.6152 124.1417 57.7789 31.0143 176.1746 141 T 4.7018 7.8869 108.0098 59.5588 71.4300 174.6421 142 K 4.0373 8.0660 119.5802 57.2191 32.2574 176.9865 143 E 4.8323 7.4731 117.0008 54.5830 32.8044 174.9476 144 L 4.8099 8.0050 119.7494 52.2799 46.2289 176.7280 145 T 4.1253 8.2331 110.9338 61.5212 70.8193 175.2648 146 S 4.1101 8.8538 119.7838 62.4784 62.2333 177.1163 *147 E 3.9948 8.1687 120.1887 61.1206 29.4831 180.9765 148 L 4.1782 7.8347 120.1266 57.7495 41.6512 179.7689 149 K 4.3527 8.8206 121.1160 60.2819 31.8201 179.8411 150 E 4.2404 8.7905 121.4562 61.5876 29.7676 182.3120 151 N 4.6455 8.5588 120.2939 57.3444 37.6312 179.4192 152 F 4.6768 8.5876 122.1954 61.5040 39.5136 177.4646 153 I 3.6319 7.9496 122.0322 64.6984 36.8565 179.0779 *154 R 3.9177 8.3410 121.9108 61.4452 29.0000 180.5839 155 F 4.3537 8.1181 120.2725 61.1443 39.6623 176.9250 156 S 3.9856 7.8243 114.6005 61.6793 62.6499 177.0131 157 K 4.7049 8.6393 122.8286 58.9146 31.5582 179.4154 158 S 4.1668 7.9128 113.3704 60.3444 62.9018 175.4107 159 L 4.2172 7.2193 121.0898 53.8628 41.9448 176.5159 160 G 4.0167 7.6280 106.9011 45.5420 0.0000 174.4947 161 L 4.1470 8.0195 121.4242 53.5419 42.5500 175.0972 162 P 4.7859 0.0000 0.0000 61.7895 32.7100 177.0515 163 E 4.0654 8.6078 117.9563 59.2127 29.7022 178.5517 164 N 4.6373 8.2649 114.2245 54.1092 37.7966 175.1397 165 H 5.0648 8.1959 114.7667 54.7498 30.7582 172.8689 166 I 4.8112 7.7196 120.1263 59.4550 39.1364 175.3054 167 V 4.4997 9.1203 126.4265 61.0958 35.3444 174.4465 168 F 4.9273 8.7574 124.0843 54.5645 40.4705 172.8446 169 P 4.6187 0.0000 0.0000 63.1220 32.3383 176.4200 170 V 4.0514 8.8994 117.2840 60.0405 32.4619 174.2579 171 P 4.7410 0.0000 0.0000 63.2157 32.0864 175.3827 172 I 4.6906 8.0556 113.9820 60.1386 40.6877 173.9935 173 D 5.2832 8.0228 117.5537 53.6091 42.7381 177.2644 174 Q 3.8668 7.6729 117.9969 56.5763 29.3416 176.6041 175 C 4.3474 8.7826 124.3827 58.0492 39.1086 174.1745 176 I 4.2143 7.6238 109.0216 60.8718 37.7814 175.3358 177 D 4.9583 7.8539 126.5078 53.9476 41.2941 175.6897 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 6 D 8.36 4.63 0.00 2.68 2.67 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 7 L 8.13 4.62 0.00 1.58 1.45 0.39 0.59 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 8 I 9.01 3.85 1.90 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 1.39 0.40 1.04 0.00 0.00 9 P 0.00 4.29 0.00 1.99 1.97 0.00 3.68 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 2.01 2.08 0.00 10 A 8.30 3.45 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 P 0.00 4.31 0.00 1.87 1.70 0.00 3.09 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 12 P 0.00 4.33 0.00 2.10 1.93 0.00 3.45 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 13 L 8.37 4.16 0.00 1.65 1.64 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.85 4.11 0.00 3.92 3.94 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 15 K 8.11 4.11 0.00 1.61 1.70 0.00 1.52 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.37 7.81 16 V 7.22 4.24 1.77 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 0.45 0.00 0.00 0.03 0.00 0.00 17 P 0.00 4.36 0.00 2.08 1.88 0.00 3.49 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 18 L 7.97 4.96 0.00 1.52 1.48 0.79 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.59 4.07 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.65 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 20 Q 8.87 4.10 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.51 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 21 N 8.75 4.14 0.00 2.83 2.88 0.00 0.00 6.97 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 22 F 8.28 4.44 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 Q 7.72 4.32 0.00 1.37 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.47 0.00 0.00 0.00 0.00 0.00 2.13 2.38 0.00 24 D 8.50 5.29 0.00 3.15 3.41 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 25 N 8.31 4.21 0.00 2.83 2.80 0.00 0.00 7.19 7.12 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 26 Q 7.56 3.82 0.00 1.46 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.04 1.51 0.00 27 F 8.06 4.65 0.00 3.29 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.20 4.45 0.00 2.73 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.11 0.00 0.00 0.00 0.00 0.00 2.66 2.37 0.00 29 G 10.03 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 30 K 7.83 4.43 0.00 1.59 1.43 0.00 1.40 0.00 0.00 0.96 0.00 0.00 2.61 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.84 1.17 7.81 31 W 8.50 5.00 0.00 2.61 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 32 Y 9.17 4.59 0.00 3.20 2.87 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 33 V 8.12 4.17 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.36 0.00 0.00 34 V 8.51 4.14 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 0.88 0.00 0.00 1.11 0.00 0.00 35 G 7.46 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 36 L 9.29 5.36 0.00 1.62 1.46 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 37 A 9.38 5.10 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 38 G 8.18 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 39 N 7.47 4.30 0.00 2.84 2.73 0.00 0.00 5.84 7.26 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 40 A 7.66 4.61 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 41 I 7.76 4.38 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.34 0.88 0.00 0.00 42 L 8.03 4.83 0.00 1.38 1.44 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 43 R 9.18 4.09 0.00 1.54 1.72 0.00 3.24 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 44 E 8.88 4.32 0.00 1.73 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.88 0.00 *48 P 0.00 4.10 0.00 2.09 2.09 0.00 3.67 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 1.94 2.10 0.00 *49 Q 8.58 4.14 0.00 1.74 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.05 0.00 0.00 0.00 0.00 0.00 2.37 1.97 0.00 50 K 8.66 4.67 0.00 1.71 1.88 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.49 7.81 51 M 8.79 4.48 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.65 0.00 52 Y 8.57 5.20 0.00 3.20 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 53 A 9.03 5.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.77 4.93 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 55 I 8.95 4.76 1.84 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 0.59 0.90 0.00 0.00 56 Y 9.16 4.40 0.00 2.82 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 57 E 8.97 4.75 0.00 2.11 1.92 0.00 0.00 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0.98 0.82 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 0.00 108 V 8.89 4.73 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 0.91 0.00 0.00 0.88 0.00 0.00 109 R 8.65 4.74 0.00 1.82 1.73 0.00 3.04 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 110 V 8.64 3.60 1.57 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 0.87 0.00 0.00 0.31 0.00 0.00 111 V 8.98 4.28 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.94 0.00 0.00 112 S 7.22 4.80 0.00 3.79 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 0.00 113 T 8.06 4.46 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 0.47 0.00 0.00 114 N 8.03 4.84 0.00 2.93 2.91 0.00 0.00 7.13 7.58 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 0.00 115 Y 7.96 3.81 0.00 3.23 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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132 Y 8.77 5.23 0.00 2.99 2.79 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 0.00 133 F 9.37 5.82 0.00 2.65 2.91 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 0.00 134 K 8.06 4.64 0.00 1.94 1.83 0.00 1.42 0.00 0.00 1.71 0.00 0.00 2.23 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.57 1.65 7.81 135 I 9.39 5.45 2.24 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.08 1.38 0.00 0.00 136 T 8.85 4.92 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 1.38 0.00 0.00 137 L 8.41 4.29 0.00 0.27 1.04 0.85 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 9.48 5.37 0.00 2.32 2.34 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 0.00 139 G 9.53 4.78 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 0.00 0.00 0.00 140 R 9.62 4.26 0.00 1.83 1.88 0.00 2.21 0.00 0.00 2.66 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.15 0.00 141 T 7.89 4.70 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 1.22 0.00 0.00 142 K 8.07 4.04 0.00 1.52 1.66 0.00 1.45 0.00 0.00 1.47 0.00 0.00 2.62 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.34 0.54 7.81 143 E 7.47 4.83 0.00 1.95 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 2.20 2.25 0.00 144 L 8.01 4.81 0.00 1.63 1.55 1.06 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.23 4.13 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 0.00 146 S 8.85 4.11 0.00 3.88 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *147 E 8.17 3.99 0.00 2.01 1.95 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 2.32 1.98 0.00 148 L 7.83 4.18 0.00 1.94 1.75 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.82 4.35 0.00 1.86 1.68 0.00 1.58 0.00 0.00 1.44 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.61 7.81 150 E 8.79 4.24 0.00 1.95 1.95 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 2.24 2.19 0.00 151 N 8.56 4.65 0.00 2.72 2.86 0.00 0.00 6.66 8.08 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 0.00 152 F 8.59 4.68 0.00 3.11 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 0.00 153 I 7.95 3.63 2.08 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.73 0.94 0.00 0.00 *154 R 8.34 3.92 0.00 1.80 1.95 0.00 3.27 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 155 F 8.12 4.35 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 0.00 156 S 7.82 3.99 0.00 3.74 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 0.00 157 K 8.64 4.70 0.00 1.89 1.81 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.41 7.81 158 S 7.91 4.17 0.00 3.93 4.08 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 0.00 159 L 7.22 4.22 0.00 1.61 1.52 0.46 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 160 G 7.63 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 0.00 0.00 0.00 161 L 8.02 4.15 0.00 1.67 1.55 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 162 P 0.00 4.79 0.00 2.23 2.17 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 163 E 8.61 4.07 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 164 N 8.26 4.64 0.00 2.89 3.06 0.00 0.00 6.08 7.90 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 0.00 165 H 8.20 5.06 0.00 3.22 3.34 0.00 5.57 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.72 4.81 2.02 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.70 0.84 0.00 0.00 167 V 9.12 4.50 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 0.93 0.00 0.00 168 F 8.76 4.93 0.00 3.01 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 0.00 169 P 0.00 4.62 0.00 2.18 2.26 0.00 3.70 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 2.07 2.21 0.00 170 V 8.90 4.05 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 0.74 0.00 0.00 1.08 0.00 0.00 171 P 0.00 4.74 0.00 1.90 1.92 0.00 3.66 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 2.01 2.08 0.00 172 I 8.06 4.69 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.59 1.09 0.00 0.00 173 D 8.02 5.28 0.00 2.55 2.67 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 0.00 174 Q 7.67 3.87 0.00 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.03 0.00 0.00 0.00 0.00 0.00 1.35 2.02 0.00 175 C 8.78 4.35 0.00 3.10 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 0.00 176 I 7.62 4.21 2.09 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 1.51 0.81 1.05 0.00 0.00 177 D 7.85 4.96 0.00 2.71 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 * Residues marked with a * may have inaccurate shift predictions.