NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2970 8.2893 120.3504 55.3224 32.9565 176.8995 2 T 4.1186 8.7799 115.6991 60.8011 69.4925 174.6751 3 H 4.2328 9.4157 126.5681 59.6469 32.3214 176.1877 4 D 3.9201 8.5549 120.1027 56.5184 41.2281 174.7532 5 N 4.6038 7.6850 119.1905 52.9981 37.2520 174.9769 6 K 4.3063 7.3800 117.7722 56.2662 36.3535 176.2625 7 L 3.3531 8.1743 121.8103 57.5598 40.4787 174.9768 *8 Q 3.3915 7.9465 118.9068 55.6808 25.4673 175.7543 9 V 3.7580 7.5280 112.6285 61.3106 32.5759 175.2229 10 E 3.8265 8.7581 125.8624 56.0396 28.9126 175.0596 11 A 4.1695 8.1981 124.3693 51.3072 18.5799 177.8035 12 I 3.9395 7.9487 116.2739 60.7971 39.0697 176.4084 13 K 2.8626 8.2156 123.2572 58.5441 32.6238 176.9885 14 R 4.9218 7.6051 117.6426 53.6522 33.6191 175.0324 15 G 3.4369 7.3661 111.3297 45.2351 0.0000 170.5427 16 T 5.0082 7.7024 116.6321 61.6795 71.6689 173.8036 17 V 4.7014 8.5695 125.1935 61.1368 34.5940 174.0089 18 I 4.8749 8.9492 128.9715 59.6632 39.7580 174.3050 19 D 5.0777 8.4901 125.1840 51.9237 45.4005 174.1399 20 H 4.4309 8.7035 117.2621 56.9565 28.4627 174.7973 21 I 4.0129 7.7215 119.2550 60.1741 37.3249 175.8190 22 P 4.1697 0.0000 0.0000 63.6951 31.7758 176.2379 23 A 4.1380 7.8560 120.9718 53.8822 17.9828 180.2224 24 Q 3.7086 8.6425 118.3403 57.5302 28.2454 175.6750 25 I 4.1426 7.9555 118.4093 63.1935 36.8047 178.0378 26 G 3.9406 8.2111 107.3703 48.2704 0.0000 175.4832 27 F 4.1671 8.2580 122.9458 60.1091 39.4011 176.9386 28 K 3.7412 8.0102 119.0884 59.6147 32.1346 178.5578 29 L 4.2386 8.1840 119.3771 57.8119 41.3338 179.5965 30 L 3.9613 7.3356 117.7131 58.1011 41.4045 179.3108 31 S 3.9538 7.5721 114.9292 60.9393 62.5438 176.2946 32 L 3.5382 7.8579 122.3344 57.7600 41.4907 178.7350 33 F 4.3494 7.6497 112.9781 56.1629 39.3690 175.9220 34 K 3.9134 7.8955 120.4365 57.5919 29.7974 176.5223 35 L 3.9093 7.7237 117.5596 57.2137 42.2068 178.9945 36 T 4.2116 7.7478 106.6822 62.4506 69.4658 175.4520 37 E 4.3475 7.2457 123.6297 54.3486 27.9522 174.9953 38 T 4.4339 7.3112 113.1909 61.4295 70.3835 172.7258 39 D 4.7258 8.5410 124.7783 54.3212 41.4145 176.9384 40 Q 4.2194 7.3658 118.3564 54.7594 29.8340 175.6174 41 R 3.9793 8.4231 120.6540 57.0656 30.9132 175.1552 42 I 5.1083 8.3661 127.3829 59.7197 39.9838 175.2885 43 T 4.6593 8.7541 115.1773 60.0707 71.4474 172.8499 44 I 4.9982 8.6249 126.1117 59.3602 40.8504 175.1776 45 G 4.2146 8.8802 111.1844 44.5996 0.0000 171.4388 46 L 5.1916 8.4575 124.2297 53.2150 44.9880 176.0514 47 N 4.1765 8.8982 118.2541 54.4259 36.7907 174.7836 48 L 4.4469 8.2098 117.5568 53.5385 43.6168 175.9037 49 P 4.4587 0.0000 0.0000 63.3949 31.3770 176.4429 50 S 4.5269 8.6347 119.8350 55.4377 61.9110 174.0116 51 G 3.7380 8.5777 112.9804 48.0537 0.0000 171.7524 52 E 3.9605 7.6214 119.0106 58.3873 30.4652 176.6328 53 M 4.8084 8.5499 118.6845 52.6497 34.0220 173.6888 54 G 4.1839 7.6361 111.3779 44.3449 0.0000 175.2184 55 R 4.8545 8.8076 116.7364 55.3644 33.5843 172.5243 56 K 4.8485 9.1796 122.7832 56.2197 36.8528 173.7774 57 D 5.4298 8.9614 119.0359 52.8946 45.5888 175.1743 58 L 5.2814 8.2024 117.9801 55.4660 46.3242 173.2824 59 I 4.8563 8.4005 126.7779 59.3822 40.5215 174.3801 60 K 4.8328 9.1424 126.2876 54.6352 34.8681 175.1130 61 I 4.6907 8.7355 126.5094 59.3206 39.9326 174.5992 62 E 4.3661 8.7749 128.8817 55.8495 30.6819 175.5990 63 N 4.0335 8.7284 121.8129 54.2117 37.1895 174.6331 64 T 4.3630 6.8959 112.2040 61.8753 72.4505 173.3741 65 F 4.9095 8.4640 123.5183 54.4331 40.3811 173.7704 66 L 4.5348 8.3562 127.6000 54.0388 43.0170 176.0258 67 S 4.6507 9.4299 120.9569 57.5653 68.1357 176.0703 68 E 3.9248 9.3317 122.5305 57.5677 28.5181 176.8537 69 D 4.3979 9.0944 123.6564 57.5636 38.8452 178.5312 70 Q 4.0084 8.1786 120.1356 58.3191 28.1650 179.2390 71 V 3.8012 7.5245 118.8699 66.0090 31.6004 177.8871 72 D 4.5096 8.1009 118.3133 57.0774 40.7121 178.5821 73 Q 4.1958 7.6283 118.3174 58.2983 28.6292 177.8744 74 L 4.2582 7.5309 118.4767 56.0439 41.5030 178.7392 75 A 3.9314 7.8611 122.0587 55.1457 18.1213 179.3887 76 L 3.6366 7.3644 115.9616 57.3520 42.0053 177.7436 77 Y 4.5917 7.1595 114.1191 58.5327 40.6072 176.3070 78 A 4.7735 7.9367 123.2662 49.4787 18.6058 174.8683 79 P 4.3423 0.0000 0.0000 64.1158 32.3533 177.5519 80 Q 4.4896 7.3364 115.2601 55.8182 28.5844 175.2013 81 A 5.0601 7.8157 118.7260 51.2575 22.2627 176.8973 82 T 4.6462 8.3996 111.5365 59.9184 71.4709 173.6338 83 V 4.5803 8.8158 126.0322 61.8116 33.9563 174.2924 84 N 5.5640 8.6895 123.1104 51.6018 42.2151 174.2998 85 R 5.0739 8.9456 120.7558 55.4540 32.5017 175.4542 86 I 5.1177 8.6750 119.4783 60.1368 40.9263 175.7843 87 D 4.7302 8.9121 125.3122 54.3142 41.3969 176.1142 88 N 4.5487 8.2569 116.0969 53.3001 40.2261 172.6881 89 Y 3.7196 8.6077 118.0669 59.0244 37.0106 171.3048 90 E 4.6646 8.4929 118.0684 54.4736 33.9891 174.7401 91 V 3.7118 8.4152 119.7757 64.1728 31.4531 175.6216 92 V 4.1890 8.7169 127.5105 63.1005 32.9705 176.5491 93 G 4.3114 7.7200 105.9875 44.6968 0.0000 171.9957 94 K 5.1007 8.5172 122.4672 54.6408 35.1492 175.5323 95 S 4.7834 9.5148 123.0345 56.7988 66.9673 173.2505 96 R 4.7732 8.4777 123.2977 54.1271 31.9997 173.9347 97 P 4.4185 0.0000 0.0000 62.2092 31.9795 176.0376 98 S 4.7385 8.4661 117.7262 55.6881 65.0578 173.7101 99 L 3.8527 8.4967 124.8564 55.2413 42.1878 175.3894 100 P 4.6911 0.0000 0.0000 61.7994 33.9173 174.8186 101 E 4.0966 8.7661 117.3910 59.1814 29.8199 176.6596 102 R 5.0601 7.5521 115.4303 54.8733 34.1209 174.2538 103 I 4.6601 8.8893 122.8918 59.8697 40.3795 174.6546 104 D 5.2689 9.0869 126.6203 54.2083 42.7134 176.1599 105 N 4.6664 9.3596 123.6400 53.9921 37.6771 175.1778 106 V 3.9934 8.1079 115.9997 61.2406 32.4512 173.6692 107 L 4.6858 7.8899 123.3039 52.7484 41.9078 173.1313 108 V 4.5667 7.7807 121.6399 60.7162 33.0951 174.7723 109 C 4.7214 8.8319 126.5524 58.8798 31.9320 172.3378 110 P 4.2278 0.0000 0.0000 65.4415 31.1793 175.6925 111 N 4.4885 7.5333 117.0061 53.3830 38.3518 175.4164 112 S 4.2249 8.7060 121.8712 61.1620 63.1863 174.7319 113 N 4.6195 7.9968 117.3494 53.6557 39.1274 174.4919 114 C 4.2945 7.9545 118.5299 59.8123 32.1144 174.3251 115 I 3.7172 8.2464 125.6534 63.5545 37.9358 177.9126 116 S 3.8531 7.8512 114.1599 61.4409 62.7916 175.4370 117 H 4.2989 7.6444 116.8487 58.7438 28.3479 176.2664 118 A 4.3440 7.5128 118.4711 52.5013 18.8628 176.0608 119 E 4.7393 7.5322 113.8274 53.8329 33.9569 173.7532 120 P 4.6185 0.0000 0.0000 62.4269 30.7503 176.1654 121 V 4.4566 7.2557 116.5897 59.9133 34.4201 175.1756 122 S 4.8381 8.3491 116.4365 56.5704 64.8052 174.2423 123 S 4.3046 8.8018 120.1056 59.5074 64.2234 173.7607 124 S 5.1007 8.4588 117.1451 57.2450 65.6376 172.5243 125 F 5.4649 9.4611 125.1770 55.6648 42.9034 173.7287 126 A 4.9592 9.0399 123.7952 50.4126 21.2694 175.8800 127 V 4.6131 8.0493 122.2643 61.5315 33.3269 175.4486 128 R 4.5031 8.7577 127.4288 54.9715 33.7947 173.7165 129 K 4.5376 8.7852 128.5319 55.5402 32.2347 175.9193 130 R 4.0761 9.0361 129.1667 53.8705 28.5215 172.4986 131 A 4.2248 7.5975 124.1182 54.4855 17.7495 175.6987 132 N 4.4092 8.0941 128.4957 55.1037 37.3769 173.4779 133 D 4.4832 7.8507 117.5354 52.9303 42.7066 173.6061 134 I 4.9252 8.1370 118.9636 59.6655 39.8710 175.1587 135 A 4.9936 9.3451 129.6431 51.0162 20.9009 175.8473 136 L 5.3497 8.9820 120.4042 52.9224 45.1853 175.4073 137 K 5.0142 9.0900 126.1950 54.7060 34.2984 174.9693 138 C 3.7881 8.7547 128.6112 58.9048 32.0688 173.9890 139 K 3.4227 8.2801 128.0320 59.9682 31.7360 177.3580 140 Y 4.3350 7.7228 116.7355 60.3520 38.3685 176.3127 141 C 4.2356 7.9711 114.2128 58.9614 30.5977 174.6550 142 E 4.2243 7.9944 118.3031 57.0144 27.3407 173.9586 143 K 4.2659 7.3981 118.5247 55.5704 33.8187 175.2928 144 E 4.9819 8.2051 124.7510 54.8070 30.9531 174.9276 145 F 5.0885 9.2209 124.7378 55.2793 43.6676 174.5866 146 S 4.4444 8.7964 115.5726 58.3626 63.0257 175.0517 147 H 4.1576 8.7798 122.4950 58.6754 27.9557 177.7249 148 N 4.3099 7.6849 119.2297 55.9837 38.4641 177.4395 149 V 3.5854 7.6971 119.2814 65.7980 31.3767 177.9834 150 V 3.5387 7.1209 117.0364 65.4567 31.5361 177.8239 151 L 4.1083 7.9178 117.6408 57.1200 41.3996 179.0451 152 A 4.0985 7.4607 120.0819 55.5412 18.9139 176.7324 153 N 4.2533 7.7092 118.7540 53.7771 41.1464 174.0423 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.30 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 2 T 8.78 4.12 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 1.18 0.00 0.00 3 H 9.42 4.23 0.00 3.15 3.30 0.00 5.70 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.55 3.92 0.00 2.78 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 7.69 4.60 0.00 2.89 2.84 0.00 0.00 6.64 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 6 K 7.38 4.31 0.00 1.87 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.57 7.81 7 L 8.17 3.35 0.00 1.79 1.71 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 *8 Q 7.95 3.39 0.00 2.22 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.10 6.68 0.00 0.00 0.00 0.00 0.00 2.19 1.93 0.00 9 V 7.53 3.76 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 0.94 0.00 0.00 0.95 0.00 0.00 10 E 8.76 3.83 0.00 1.93 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 2.33 2.43 0.00 11 A 8.20 4.17 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.95 3.94 1.75 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 1.23 0.52 0.91 0.00 0.00 13 K 8.22 2.86 0.00 1.41 1.61 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.22 7.81 14 R 7.61 4.92 0.00 1.81 1.63 0.00 3.61 0.00 0.00 3.58 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.10 0.00 15 G 7.37 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 16 T 7.70 5.01 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 1.20 0.00 0.00 17 V 8.57 4.70 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 0.98 0.00 0.00 0.91 0.00 0.00 18 I 8.95 4.87 1.86 0.00 0.00 0.81 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 0.63 0.89 0.00 0.00 19 D 8.49 5.08 0.00 2.80 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 20 H 8.70 4.43 0.00 3.24 3.35 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.72 4.01 1.91 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 1.31 0.50 0.97 0.00 0.00 22 P 0.00 4.17 0.00 2.08 2.27 0.00 3.71 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 2.05 2.08 0.00 23 A 7.86 4.14 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 24 Q 8.64 3.71 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.06 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 25 I 7.96 4.14 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.92 1.07 0.00 0.00 26 G 8.21 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 0.00 0.00 0.00 27 F 8.26 4.17 0.00 3.19 3.11 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 0.00 0.00 0.00 0.00 28 K 8.01 3.74 0.00 1.85 1.96 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.18 1.42 7.81 29 L 8.18 4.24 0.00 1.83 1.78 0.91 0.68 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 30 L 7.34 3.96 0.00 1.42 1.48 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.57 3.95 0.00 3.73 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 32 L 7.86 3.54 0.00 0.82 0.77 0.24 0.50 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 33 F 7.65 4.35 0.00 3.24 3.11 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 0.00 0.00 0.00 0.00 34 K 7.90 3.91 0.00 1.90 1.92 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.41 7.81 35 L 7.72 3.91 0.00 1.58 1.72 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.75 4.21 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 1.19 0.00 0.00 37 E 7.25 4.35 0.00 2.01 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 2.29 2.21 0.00 38 T 7.31 4.43 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 1.22 0.00 0.00 39 D 8.54 4.73 0.00 2.69 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 40 Q 7.37 4.22 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 41 R 8.42 3.98 0.00 1.87 1.97 0.00 3.13 0.00 0.00 3.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 42 I 8.37 5.11 1.86 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 1.37 0.92 0.97 0.00 0.00 43 T 8.75 4.66 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 1.20 0.00 0.00 44 I 8.62 5.00 1.91 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 1.30 0.68 0.97 0.00 0.00 45 G 8.88 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.46 5.19 0.00 1.50 1.56 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.90 4.18 0.00 2.87 2.89 0.00 0.00 7.02 7.31 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 48 L 8.21 4.45 0.00 1.63 1.58 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.46 0.00 2.07 2.08 0.00 3.70 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 1.99 1.97 0.00 50 S 8.63 4.53 0.00 3.85 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.58 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.62 3.96 0.00 1.94 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 2.31 2.29 0.00 53 M 8.55 4.81 0.00 1.78 1.90 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 54 G 7.64 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 55 R 8.81 4.85 0.00 1.80 1.77 0.00 3.23 0.00 0.00 3.40 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 56 K 9.18 4.85 0.00 1.93 1.88 0.00 1.40 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.43 7.81 57 D 8.96 5.43 0.00 2.56 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 58 L 8.20 5.28 0.00 1.73 1.47 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.40 4.86 1.86 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 1.36 0.49 0.90 0.00 0.00 60 K 9.14 4.83 0.00 1.74 1.65 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.36 7.81 61 I 8.74 4.69 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.71 0.86 0.00 0.00 62 E 8.77 4.37 0.00 2.13 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 2.19 2.18 0.00 63 N 8.73 4.03 0.00 2.72 2.79 0.00 0.00 6.74 7.51 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 64 T 6.90 4.36 4.05 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 1.13 0.00 0.00 65 F 8.46 4.91 0.00 3.04 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 66 L 8.36 4.53 0.00 1.59 1.57 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 67 S 9.43 4.65 0.00 3.84 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.33 3.92 0.00 2.18 1.78 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 2.30 2.28 0.00 69 D 9.09 4.40 0.00 2.89 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 70 Q 8.18 4.01 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 71 V 7.52 3.80 2.22 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 1.00 0.00 0.00 0.92 0.00 0.00 72 D 8.10 4.51 0.00 2.99 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 73 Q 7.63 4.20 0.00 2.26 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 74 L 7.53 4.26 0.00 1.73 1.61 0.78 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.86 3.93 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 76 L 7.36 3.64 0.00 1.46 0.85 0.78 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 7.16 4.59 0.00 3.36 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 78 A 7.94 4.77 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 79 P 0.00 4.34 0.00 2.01 2.09 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.18 0.00 80 Q 7.34 4.49 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.18 2.04 0.00 81 A 7.82 5.06 1.24 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 0.00 0.00 82 T 8.40 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 83 V 8.82 4.58 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 0.76 0.00 0.00 0.90 0.00 0.00 84 N 8.69 5.56 0.00 2.66 2.67 0.00 0.00 6.66 7.93 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 85 R 8.95 5.07 0.00 2.17 2.32 0.00 2.80 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.61 0.00 86 I 8.68 5.12 1.88 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 1.30 0.77 0.95 0.00 0.00 87 D 8.91 4.73 0.00 2.79 2.77 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 88 N 8.26 4.55 0.00 2.80 2.88 0.00 0.00 7.43 7.48 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 89 Y 8.61 3.72 0.00 3.09 3.01 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 0.00 0.00 0.00 90 E 8.49 4.66 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 91 V 8.42 3.71 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 0.87 0.00 0.00 0.95 0.00 0.00 92 V 8.72 4.19 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 0.70 0.00 0.00 0.97 0.00 0.00 93 G 7.72 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.52 5.10 0.00 1.72 1.65 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.68 7.81 95 S 9.51 4.78 0.00 3.70 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 96 R 8.48 4.77 0.00 1.79 1.80 0.00 3.44 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 97 P 0.00 4.42 0.00 2.05 2.08 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 98 S 8.47 4.74 0.00 3.94 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.50 3.85 0.00 1.58 1.63 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.69 0.00 2.24 2.09 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 101 E 8.77 4.10 0.00 2.08 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 2.38 2.36 0.00 102 R 7.55 5.06 0.00 1.82 1.75 0.00 3.22 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 103 I 8.89 4.66 1.98 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 1.30 0.95 1.07 0.00 0.00 104 D 9.09 5.27 0.00 2.61 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 9.36 4.67 0.00 2.87 2.99 0.00 0.00 6.84 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 0.00 106 V 8.11 3.99 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 0.57 0.00 0.00 0.63 0.00 0.00 107 L 7.89 4.69 0.00 1.88 1.64 0.54 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.78 4.57 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 0.93 0.00 0.00 0.96 0.00 0.00 109 C 8.83 4.72 0.00 3.07 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 0.00 110 P 0.00 4.23 0.00 0.88 1.74 0.00 3.09 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 1.14 1.75 0.00 111 N 7.53 4.49 0.00 3.20 2.86 0.00 0.00 6.91 7.51 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 0.00 112 S 8.71 4.22 0.00 4.04 4.01 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 0.00 0.00 0.00 113 N 8.00 4.62 0.00 2.67 2.89 0.00 0.00 7.15 7.75 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 0.00 114 C 7.95 4.29 0.00 3.07 2.62 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 0.00 115 I 8.25 3.72 1.80 0.00 0.00 0.81 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 0.91 0.64 0.00 0.00 116 S 7.85 3.85 0.00 3.90 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 0.00 117 H 7.64 4.30 0.00 3.27 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.51 4.34 1.25 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 0.00 0.00 0.00 119 E 7.53 4.74 0.00 1.78 1.74 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 2.22 2.13 0.00 120 P 0.00 4.62 0.00 2.02 2.02 0.00 3.59 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 1.98 2.04 0.00 121 V 7.26 4.46 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 0.54 0.00 0.00 0.84 0.00 0.00 122 S 8.35 4.84 0.00 3.81 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.80 4.30 0.00 3.95 4.10 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 0.00 124 S 8.46 5.10 0.00 3.94 3.51 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 0.00 125 F 9.46 5.46 0.00 2.98 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 0.00 126 A 9.04 4.96 1.25 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 0.00 0.00 0.00 127 V 8.05 4.61 2.25 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 0.75 0.00 0.00 0.97 0.00 0.00 128 R 8.76 4.50 0.00 1.91 1.72 0.00 3.14 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 129 K 8.79 4.54 0.00 1.79 1.73 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.65 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.41 7.81 130 R 9.04 4.08 0.00 1.86 1.97 0.00 3.35 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 131 A 7.60 4.22 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 0.00 132 N 8.09 4.41 0.00 2.80 3.02 0.00 0.00 7.08 8.47 0.00 0.00 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 D 7.85 4.48 0.00 2.87 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 0.00 134 I 8.14 4.93 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.83 0.89 0.00 0.00 135 A 9.35 4.99 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 0.00 136 L 8.98 5.35 0.00 1.65 1.68 0.70 1.30 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 0.00 137 K 9.09 5.01 0.00 1.86 1.70 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.35 7.81 138 C 8.75 3.79 0.00 2.97 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 0.00 139 K 8.28 3.42 0.00 1.62 1.17 0.00 1.49 0.00 0.00 0.64 0.00 0.00 2.61 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.81 1.14 7.81 140 Y 7.72 4.34 0.00 2.99 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 0.00 141 C 7.97 4.24 0.00 3.16 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 0.00 142 E 7.99 4.22 0.00 2.15 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 2.18 2.23 0.00 143 K 7.40 4.27 0.00 1.38 1.11 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.63 7.81 144 E 8.21 4.98 0.00 1.88 1.70 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 2.19 2.33 0.00 145 F 9.22 5.09 0.00 3.00 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 0.00 146 S 8.80 4.44 0.00 3.85 3.75 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 0.00 147 H 8.78 4.16 0.00 3.33 3.60 0.00 5.31 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 7.68 4.31 0.00 2.72 2.85 0.00 0.00 6.47 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 0.00 149 V 7.70 3.59 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 1.02 0.00 0.00 0.96 0.00 0.00 150 V 7.12 3.54 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.81 0.00 0.00 151 L 7.92 4.11 0.00 1.70 1.75 0.81 0.66 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 0.00 152 A 7.46 4.10 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 0.00 153 N 7.71 4.25 0.00 2.77 2.98 0.00 0.00 7.21 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.