NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.2922 8.1933 115.2897 58.4921 64.6702 175.0643 *5 T 4.2506 7.7489 116.0551 64.4367 70.4395 175.8978 6 Q 4.0636 7.8930 121.2005 59.0751 29.0327 178.3030 7 S 4.0901 8.2424 116.3652 61.5584 62.8741 176.4004 8 L 3.9333 7.8443 122.4212 58.2147 41.9386 178.6755 9 R 3.9219 8.6403 121.4944 60.0883 29.8521 179.0383 10 E 4.0159 8.0381 117.9489 60.9036 29.5294 182.2120 11 V 3.7850 7.4107 118.2911 66.1106 31.6676 178.0345 12 I 3.9662 7.9930 120.9683 64.5454 36.9558 178.9425 13 K 4.1867 7.8543 124.0243 59.3134 31.9519 183.9905 14 A 4.3426 8.0823 124.1459 51.7537 18.0867 179.9286 *16 T 4.1254 7.9992 120.5913 65.7561 70.4625 176.9486 17 K 4.1124 7.9414 120.0324 56.2692 32.2655 179.3913 18 A 4.2185 7.4015 119.3165 53.3906 18.6715 177.4402 19 R 4.3923 8.3059 118.0234 56.6838 31.9113 176.7536 20 N 4.7315 7.7851 115.1665 51.8654 38.7655 175.0415 21 F 4.1734 8.8507 118.4497 61.2687 39.1781 176.6186 22 E 4.1250 9.0992 118.6010 58.6629 29.1464 179.0083 23 R 3.9538 7.9923 116.6340 59.1138 29.1194 179.0914 24 V 3.6291 7.3184 112.1449 63.1751 31.6789 176.6472 25 L 4.5495 7.5433 118.3618 54.2983 41.7142 178.5241 26 G 3.7185 7.8722 111.1643 48.6890 0.0000 175.7095 27 K 4.1760 7.9385 117.4503 57.7088 32.5533 177.4836 28 I 4.0890 7.3001 112.2762 60.9671 38.2306 175.1295 29 T 4.6562 8.7188 116.7486 60.1108 70.6551 172.4319 30 L 4.3629 8.5679 130.1863 55.1694 42.3805 175.8613 31 V 4.2288 8.5764 125.9700 64.4189 33.2428 175.5634 32 S 4.7687 7.7545 112.2083 57.2355 66.1135 173.0177 33 A 5.0488 8.3274 125.5578 50.9665 21.7307 175.3396 34 A 4.6445 9.0652 124.7422 49.4052 22.7530 173.0909 35 P 4.6188 0.0000 0.0000 64.2300 31.5574 176.7411 36 G 4.0458 9.0564 111.4109 45.6197 0.0000 172.4355 37 K 5.4536 8.0647 121.0557 55.5826 35.6402 174.6385 38 V 4.7946 8.4930 127.4263 61.0537 34.9365 173.9653 39 I 4.9731 8.6055 127.8966 59.9879 39.9509 174.6185 40 C 5.3158 9.2243 124.7188 58.0253 32.1885 171.9577 41 E 5.1346 8.7575 119.9248 53.8993 33.6805 173.3558 *43 K 4.4614 8.4234 121.1937 55.9202 33.1800 175.3596 44 V 3.9074 8.6310 128.2306 63.1666 32.6631 175.0365 45 E 5.0987 8.7394 126.1235 53.8895 33.2012 176.3321 46 E 3.9015 8.7340 119.7445 59.5182 29.5411 178.4472 47 E 4.0072 8.1005 114.4954 58.5980 29.7145 176.8240 48 H 4.8049 8.2225 116.3645 55.7981 29.6807 174.6037 49 T 4.8474 7.9443 110.8568 60.4824 70.3727 173.6391 50 N 4.9025 8.4123 119.8112 50.7308 39.7202 175.2277 51 A 3.9383 8.6928 120.4286 55.4759 18.1046 178.4794 52 I 4.0754 7.8484 105.6511 60.8761 37.7989 176.4781 53 G 3.9129 8.8273 110.5584 45.4252 0.0000 172.8217 54 T 4.9003 7.8470 109.7064 58.7350 72.4856 173.0984 55 L 4.3803 8.5085 123.9678 56.0557 42.5315 176.1785 56 H 4.2010 9.1995 127.3342 55.9129 30.4115 176.2916 57 G 3.8819 9.0340 112.9448 48.1344 0.0000 175.6725 58 G 3.7584 8.4828 107.3364 47.6044 0.0000 175.4840 59 L 4.1235 8.3359 122.8495 58.0368 42.0917 179.0481 60 T 3.8894 8.0805 115.1786 66.6315 68.4282 176.0929 61 A 4.0314 8.2925 122.5888 55.6362 18.4144 179.8593 62 T 3.9166 8.0165 114.1866 66.7803 68.6089 177.0080 63 L 4.0355 8.3453 121.4634 57.4981 41.5563 179.7795 64 V 3.5270 7.9469 118.4000 65.9471 31.6142 177.3291 65 D 4.1236 8.1517 117.8023 57.6071 40.8473 178.1399 66 N 4.3572 8.0408 115.4945 56.5307 38.7733 177.5417 67 I 3.8835 7.4867 119.2498 63.7718 37.3696 178.2860 68 S 4.3108 7.9055 114.2390 61.4382 62.2263 177.7358 69 T 3.7648 7.7505 117.5507 63.5102 67.5227 176.1355 *71 A 4.2682 8.1320 126.4004 52.2886 20.6077 180.0305 72 L 4.0255 7.8714 115.1448 57.9537 41.9550 179.3068 73 L 4.1894 8.2767 119.2920 57.7113 41.4381 178.1766 74 C 4.3892 7.8911 115.2003 59.5088 28.8606 172.9791 75 T 4.8029 7.1217 115.1693 59.9253 69.3276 174.9795 76 E 3.9324 8.9027 123.9526 59.7189 29.6141 179.3064 77 R 3.8610 8.1222 118.0325 57.2586 30.3782 177.4995 78 G 3.9946 7.7940 103.2877 45.8453 0.0000 172.9755 79 A 4.2068 7.4353 121.5478 50.8407 19.0448 176.7856 80 P 4.1719 0.0000 0.0000 65.0251 31.7488 178.0530 81 G 3.9366 8.0426 103.4986 44.5791 0.0000 171.9785 82 V 4.4591 8.2802 118.3276 60.5169 34.0979 175.1460 83 S 4.2794 8.8157 123.3509 59.5246 62.9633 172.9259 84 V 4.2348 8.7563 122.1081 64.2889 33.3268 174.7546 85 D 4.9156 7.5418 117.2503 52.6161 45.8961 173.2704 *87 N 4.7898 8.5184 114.9229 53.4057 38.9917 173.6637 88 I 4.8762 8.1468 120.6474 60.1076 41.2627 174.3564 89 T 4.5036 8.5848 123.9599 62.1092 70.3959 173.5590 90 Y 4.8290 8.5773 124.0734 56.4958 40.3131 175.2491 *92 S 4.3274 8.3188 115.1783 57.6221 64.7032 171.6269 93 P 4.6941 0.0000 0.0000 62.6380 32.4238 175.6989 94 A 4.9286 8.5796 125.8778 50.7872 21.2598 176.8623 95 K 4.5275 9.3070 126.2179 54.7424 33.4683 173.3134 96 L 4.1035 7.6290 122.0532 57.5876 42.2705 178.0861 97 G 3.9518 8.9324 113.0574 45.3641 0.0000 173.1172 98 E 4.3065 8.0812 121.7154 55.7881 31.3095 174.8248 99 D 5.2073 8.6530 126.1057 53.1275 42.5300 175.3788 100 I 5.0115 8.3644 116.4413 59.0473 41.1688 174.2748 101 V 4.5728 8.7143 123.7784 61.2206 34.4353 174.3281 102 I 4.8645 8.9245 128.4346 60.0375 40.0271 174.4897 103 T 5.0222 8.8214 124.5737 61.6264 71.0806 173.2561 104 A 5.1504 9.0731 129.0847 50.4286 21.7696 174.8635 105 H 5.3319 9.1671 119.4417 53.8513 32.3416 173.2072 106 V 4.1756 8.4856 123.8045 62.3957 31.1903 175.7317 107 L 4.3127 9.2772 129.6891 57.1779 42.3828 177.3254 108 K 4.5048 7.9412 116.8543 56.4039 35.4766 173.9775 109 Q 5.0307 8.8587 121.9680 55.0889 31.8907 174.4651 110 G 4.3187 8.9934 115.6263 45.4512 0.0000 174.6649 111 K 4.2042 8.8059 121.1310 57.0215 32.1015 174.5229 112 T 4.6261 7.8573 106.2120 60.7831 71.4865 173.8435 113 L 5.1641 7.9273 121.8132 52.5850 45.0469 175.2356 114 A 5.0086 8.5655 124.8836 49.9736 22.4710 174.8604 115 F 5.4783 9.7124 120.0364 55.9150 42.6866 174.5186 116 T 5.3040 9.2978 112.6556 60.0836 72.8835 172.5719 117 S 5.1351 9.1168 116.5314 56.6142 66.1131 172.6547 118 V 4.8881 9.1073 126.7199 61.2267 34.4758 173.5434 119 D 5.3388 8.9931 127.8154 52.6303 43.3051 175.1700 120 L 5.1967 8.8536 124.4774 53.6914 43.5951 175.9038 121 T 5.1217 8.8357 113.1796 59.5816 72.9826 172.4733 122 N 4.6882 8.9716 122.4134 53.2090 39.2922 175.3336 123 K 3.7447 9.1289 129.1973 59.8183 32.1702 178.0036 124 A 4.1708 8.6267 122.3422 54.3970 18.4832 178.1081 125 T 4.2748 8.1595 103.8734 60.9626 70.3447 175.8420 126 G 3.9388 8.9570 110.1218 45.1361 0.0000 173.5127 127 K 4.2369 7.8173 120.4930 55.5419 33.3138 176.4117 128 L 4.2596 8.6125 126.8857 56.0913 41.9743 176.2122 129 I 4.5748 9.1000 126.6983 62.2553 38.7409 175.6488 130 A 4.5821 7.3814 120.0419 51.3069 22.6390 175.0154 131 Q 4.7661 8.6745 120.2183 54.4459 32.6591 174.1341 132 G 4.4757 9.4509 113.4236 44.4212 0.0000 171.9173 133 R 5.2541 8.8444 120.6104 54.3225 33.3583 174.6744 134 H 5.1676 9.5541 123.1605 54.7523 33.3572 171.8557 135 T 4.8770 8.9007 122.5452 61.8520 70.5564 173.6669 136 K 4.8614 8.7942 126.0246 54.6937 36.2472 174.5431 137 H 5.1011 9.4814 124.0963 54.7454 31.5483 174.8661 138 L 4.2577 9.1267 126.2104 54.8681 41.2379 176.6479 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 3 S 8.19 4.29 0.00 3.87 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 *5 T 7.75 4.25 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 1.21 0.00 0.00 6 Q 7.89 4.06 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 7 S 8.24 4.09 0.00 3.90 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 8 L 7.84 3.93 0.00 1.75 1.80 0.92 0.83 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 9 R 8.64 3.92 0.00 1.96 2.08 0.00 3.14 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 10 E 8.04 4.02 0.00 2.06 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 2.24 2.18 0.00 11 V 7.41 3.79 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 0.99 0.00 0.00 1.01 0.00 0.00 12 I 7.99 3.97 1.99 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 1.38 0.84 0.90 0.00 0.00 13 K 7.85 4.19 0.00 1.87 1.73 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.33 7.81 14 A 8.08 4.34 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 T 8.00 4.13 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 17 K 7.94 4.11 0.00 1.78 1.72 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.00 7.81 18 A 7.40 4.22 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 19 R 8.31 4.39 0.00 1.81 1.99 0.00 3.22 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 20 N 7.79 4.73 0.00 3.02 3.03 0.00 0.00 5.91 8.12 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 21 F 8.85 4.17 0.00 3.13 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 9.10 4.13 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 2.39 2.55 0.00 23 R 7.99 3.95 0.00 2.00 2.38 0.00 2.74 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 24 V 7.32 3.63 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 0.01 0.00 0.00 0.59 0.00 0.00 25 L 7.54 4.55 0.00 1.68 1.62 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.87 3.72 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 0.00 0.00 0.00 27 K 7.94 4.18 0.00 1.82 1.92 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.46 7.81 28 I 7.30 4.09 1.85 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 1.42 0.51 0.93 0.00 0.00 29 T 8.72 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 1.24 0.00 0.00 30 L 8.57 4.36 0.00 1.67 1.55 1.01 0.90 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 31 V 8.58 4.23 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 0.78 0.00 0.00 0.93 0.00 0.00 32 S 7.75 4.77 0.00 3.89 3.61 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 33 A 8.33 5.05 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 0.00 0.00 0.00 0.00 0.00 34 A 9.07 4.64 1.22 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 0.00 0.00 0.00 35 P 0.00 4.62 0.00 2.06 2.05 0.00 3.84 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 2.04 2.10 0.00 36 G 9.06 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 0.00 0.00 0.00 0.00 37 K 8.06 5.45 0.00 1.84 1.63 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.19 7.81 38 V 8.49 4.79 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 0.96 0.00 0.00 0.92 0.00 0.00 39 I 8.61 4.97 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 1.19 0.53 0.90 0.00 0.00 40 C 9.22 5.32 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.76 5.13 0.00 1.97 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 2.19 2.16 0.00 *43 K 8.42 4.46 0.00 1.85 1.77 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.61 7.81 44 V 8.63 3.91 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 1.01 0.00 0.00 1.00 0.00 0.00 45 E 8.74 5.10 0.00 1.78 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 2.50 2.14 0.00 46 E 8.73 3.90 0.00 2.02 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 0.00 2.37 2.36 0.00 47 E 8.10 4.01 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 48 H 8.22 4.80 0.00 3.37 3.31 0.00 5.62 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 49 T 7.94 4.85 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 50 N 8.41 4.90 0.00 2.91 2.94 0.00 0.00 7.23 6.59 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 51 A 8.69 3.94 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 52 I 7.85 4.08 1.86 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 0.77 0.90 0.00 0.00 53 G 8.83 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 54 T 7.85 4.90 4.36 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 1.21 0.00 0.00 55 L 8.51 4.38 0.00 1.68 1.71 0.99 1.37 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 56 H 9.20 4.20 0.00 3.37 3.18 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.03 3.88 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 0.00 0.00 0.00 58 G 8.48 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 59 L 8.34 4.12 0.00 1.80 1.92 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.08 3.89 4.67 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 1.19 0.00 0.00 61 A 8.29 4.03 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 62 T 8.02 3.92 4.47 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 0.00 0.00 0.00 1.33 0.00 0.00 63 L 8.35 4.04 0.00 1.83 1.71 0.91 0.63 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 64 V 7.95 3.53 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.94 0.00 0.00 65 D 8.15 4.12 0.00 2.87 2.82 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 66 N 8.04 4.36 0.00 2.76 2.87 0.00 0.00 7.20 6.86 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 67 I 7.49 3.88 1.99 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 1.40 0.52 0.90 0.00 0.00 68 S 7.91 4.31 0.00 3.94 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.75 3.76 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 1.22 0.00 0.00 *71 A 8.13 4.27 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 72 L 7.87 4.03 0.00 1.81 1.85 0.92 1.10 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 73 L 8.28 4.19 0.00 1.67 1.72 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 74 C 7.89 4.39 0.00 3.10 3.02 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 75 T 7.12 4.80 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 1.28 0.00 0.00 76 E 8.90 3.93 0.00 1.99 2.02 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 2.33 2.33 0.00 77 R 8.12 3.86 0.00 1.83 1.91 0.00 3.31 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 78 G 7.79 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 79 A 7.44 4.21 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 80 P 0.00 4.17 0.00 2.19 2.18 0.00 3.81 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 1.97 1.95 0.00 81 G 8.04 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 82 V 8.28 4.46 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 0.97 0.00 0.00 0.93 0.00 0.00 83 S 8.82 4.28 0.00 3.82 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 84 V 8.76 4.23 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 0.76 0.00 0.00 0.94 0.00 0.00 85 D 7.54 4.92 0.00 2.62 2.56 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 *87 N 8.52 4.79 0.00 2.87 3.00 0.00 0.00 5.71 7.73 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 88 I 8.15 4.88 1.73 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 1.23 0.61 0.06 0.00 0.00 89 T 8.58 4.50 4.17 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 0.00 0.00 0.00 1.21 0.00 0.00 90 Y 8.58 4.83 0.00 2.86 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *92 S 8.32 4.33 0.00 3.94 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 0.00 93 P 0.00 4.69 0.00 1.97 2.03 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 94 A 8.58 4.93 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 95 K 9.31 4.53 0.00 1.45 1.69 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.26 7.81 96 L 7.63 4.10 0.00 1.43 1.62 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.93 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 0.00 0.00 0.00 98 E 8.08 4.31 0.00 2.22 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 0.00 2.30 2.30 0.00 99 D 8.65 5.21 0.00 2.64 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 0.00 100 I 8.36 5.01 1.87 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 1.22 0.94 0.92 0.00 0.00 101 V 8.71 4.57 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 1.10 0.00 0.00 0.93 0.00 0.00 102 I 8.92 4.86 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.49 0.90 0.00 0.00 103 T 8.82 5.02 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 1.11 0.00 0.00 104 A 9.07 5.15 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 H 9.17 5.33 0.00 3.05 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.49 4.18 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 0.78 0.00 0.00 1.01 0.00 0.00 107 L 9.28 4.31 0.00 1.69 1.72 0.95 1.09 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 0.00 108 K 7.94 4.50 0.00 1.84 1.68 0.00 1.77 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.61 1.44 7.81 109 Q 8.86 5.03 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 110 G 8.99 4.32 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 0.00 111 K 8.81 4.20 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 0.99 7.81 112 T 7.86 4.63 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 1.20 0.00 0.00 113 L 7.93 5.16 0.00 1.57 1.10 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.57 5.01 1.07 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 0.00 0.00 115 F 9.71 5.48 0.00 2.97 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 0.00 116 T 9.30 5.30 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 117 S 9.12 5.14 0.00 3.90 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 0.00 118 V 9.11 4.89 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 0.72 0.00 0.00 0.99 0.00 0.00 119 D 8.99 5.34 0.00 2.62 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.85 5.20 0.00 1.61 1.57 0.89 0.44 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 0.00 121 T 8.84 5.12 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 1.21 0.00 0.00 122 N 8.97 4.69 0.00 2.80 2.75 0.00 0.00 7.11 7.55 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 0.00 123 K 9.13 3.74 0.00 1.80 1.93 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.42 7.81 124 A 8.63 4.17 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 0.00 125 T 8.16 4.27 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 126 G 8.96 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 0.00 127 K 7.82 4.24 0.00 1.76 1.75 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.39 7.81 128 L 8.61 4.26 0.00 1.64 1.59 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 129 I 9.10 4.57 1.94 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 1.13 1.81 0.98 0.00 0.00 130 A 7.38 4.58 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.67 4.77 0.00 2.06 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.21 2.47 0.00 132 G 9.45 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.84 5.25 0.00 1.85 1.86 0.00 3.29 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 134 H 9.55 5.17 0.00 3.15 3.13 0.00 5.74 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.90 4.88 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 1.06 0.00 0.00 136 K 8.79 4.86 0.00 1.47 1.55 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.59 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.95 1.14 7.81 137 H 9.48 5.10 0.00 3.07 3.14 0.00 5.77 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 9.13 4.26 0.00 1.33 1.48 0.90 0.76 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 * Residues marked with a * may have inaccurate shift predictions.