NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4418 8.1693 120.6382 55.0403 43.1204 175.5369 8 H 4.9257 8.1913 115.0960 53.3735 31.7257 171.3295 9 K 4.4750 9.5168 121.6318 56.3662 33.2966 177.3764 10 E 5.0154 9.3439 124.2944 53.4947 33.2747 173.9089 11 P 4.8116 0.0000 0.0000 63.5418 32.1147 175.1093 12 A 4.8666 8.0234 120.5509 51.5800 22.8774 175.6500 13 T 4.6354 8.3524 109.8272 59.2068 71.7198 173.3715 14 L 4.1237 8.7251 126.2781 56.7761 42.0082 176.0086 15 I 4.3158 8.5092 126.1387 62.5606 38.6975 175.9022 16 K 4.5489 8.3040 121.1554 55.0555 36.0015 174.5536 17 A 4.3940 8.7902 130.3814 52.5416 18.9003 175.7978 18 I 4.3836 8.2338 121.2016 62.1385 39.9024 175.9559 19 D 4.6762 7.4072 118.3961 52.0602 41.4598 174.4822 20 G 4.0427 9.4097 105.9776 48.2928 0.0000 173.7157 21 D 5.1451 8.4087 117.3884 52.5314 41.5929 175.2752 22 T 5.2249 7.9837 108.6133 60.5738 72.5185 172.7998 23 V 4.7203 8.8311 124.1793 61.2368 35.3995 173.4734 24 K 4.8777 9.3785 130.1438 55.7797 33.5746 175.6084 25 K 5.2955 9.4810 125.9560 54.9801 37.4502 174.4536 26 M 5.0408 9.1464 121.9238 54.6248 34.0449 174.1364 27 Y 5.0033 8.9897 127.0530 56.1970 42.2549 175.3928 28 K 3.4619 9.5467 127.3337 57.4314 29.7411 175.9066 29 G 4.0044 8.4117 105.4324 45.0862 0.0000 173.2598 30 Q 4.8602 7.6550 119.1740 52.8593 31.9080 173.4239 31 P 4.7937 0.0000 0.0000 63.5890 32.1377 175.5170 32 M 4.6372 9.3287 123.3926 54.6250 36.2609 173.3441 33 T 4.7235 8.5088 123.2075 63.0065 70.2748 173.4547 34 F 4.9697 9.5076 126.3436 55.9923 41.2196 174.7664 35 R 4.9970 9.1822 124.4493 54.4672 31.9920 175.1222 36 L 4.3843 8.6973 127.5846 54.3888 41.9686 177.1635 37 L 3.9408 8.4495 124.5251 55.8426 42.7522 178.1922 38 L 4.6039 8.9615 120.2059 55.5992 39.2306 173.9963 39 V 5.1079 7.3455 110.4682 59.6777 36.0367 175.0184 40 D 4.9676 9.1443 121.9752 53.0017 44.1567 174.7222 41 T 4.7684 8.9251 117.1190 60.3140 70.7035 172.8451 42 P 4.6990 0.0000 0.0000 62.4610 32.3152 176.1868 43 E 4.0131 9.3587 122.0109 56.8349 30.1870 177.8379 *50 F 4.5229 8.5844 123.1358 58.2345 41.0041 175.5443 51 N 4.5702 8.2312 114.6803 53.3172 37.9579 174.4474 52 E 4.4125 8.0000 120.1088 54.2384 31.4547 175.1232 53 K 3.8575 8.0627 121.5178 58.0502 32.5997 176.6764 54 Y 4.0994 7.7740 121.7235 59.2225 36.3289 171.2107 55 G 3.5968 7.9547 107.4859 47.6241 0.0000 174.1403 56 P 4.1125 0.0000 0.0000 64.6727 31.1534 178.6179 57 E 4.0276 8.1005 116.0359 59.1758 29.6565 178.9202 58 A 4.0325 8.5234 122.0594 55.0974 18.3574 179.5810 59 S 4.1357 8.6056 113.8639 61.9899 62.9034 177.0553 60 A 4.1635 8.3530 123.3241 54.8938 18.2370 179.3331 61 F 3.9356 8.8170 119.6688 61.9636 39.4336 177.6165 62 T 4.0426 8.3248 115.2923 66.2922 68.1363 176.6923 63 K 3.8952 8.2991 121.7052 59.5013 32.2793 178.6908 64 K 3.8393 8.2122 120.0809 59.6741 31.8201 178.3998 65 M 3.8631 7.4203 117.0537 58.7759 32.6301 178.3575 66 V 3.8167 8.1591 112.8396 64.0881 31.5434 178.4832 67 E 4.1282 8.3447 118.1094 59.0834 29.4787 177.7915 68 N 4.4844 8.1721 114.4465 54.4120 39.0598 175.4626 69 A 4.6966 7.5228 120.5145 51.2288 18.9628 177.7991 70 K 4.1036 8.9509 121.5611 58.4244 33.5242 176.8945 71 K 4.4991 8.7306 121.0584 54.5757 34.7155 174.9691 72 I 4.9101 8.3767 128.5367 59.9127 39.2815 174.6638 73 E 4.9249 9.1808 125.8532 54.4786 33.4988 174.9077 74 V 4.4294 9.1236 123.0519 60.9849 34.4619 174.0796 75 E 5.0608 9.0203 128.3336 54.2061 31.9006 174.8344 76 F 4.5643 8.6689 125.7868 57.7412 39.8972 175.9839 77 D 4.9499 8.5253 121.5028 53.8326 43.2038 175.4081 78 K 4.3808 8.9808 116.1926 58.1475 33.4503 178.7273 79 G 4.0426 7.9469 113.2636 45.1479 0.0000 173.3013 80 Q 4.1448 8.5674 119.9413 56.3487 29.6494 177.1936 81 R 4.4907 8.4134 117.9830 56.6598 31.4495 176.3202 82 T 5.0294 7.5185 106.7632 59.4844 71.4643 173.5211 83 D 4.9101 9.0406 123.7150 51.2429 41.2180 176.9315 84 K 3.9004 8.2040 116.9173 58.8801 32.5909 176.9498 85 Y 4.4086 7.9035 116.3252 57.6461 38.1019 175.9850 86 G 3.8672 8.3065 108.1118 45.9234 0.0000 173.6821 87 R 4.4023 8.6603 119.5605 54.5455 31.7603 176.5659 88 G 3.6522 8.4654 111.0310 46.3318 0.0000 172.4432 89 L 5.4371 9.4852 123.1185 51.9726 43.8132 175.7732 90 A 4.5738 8.1949 124.3537 50.3836 23.2578 174.0444 91 Y 4.7552 8.6134 117.6902 57.5356 39.5566 174.8835 92 I 4.8597 8.9916 124.6869 59.6421 40.4590 174.1434 93 Y 5.1635 9.0610 123.3542 56.0671 41.6402 174.4595 94 A 4.7413 9.2120 125.9439 50.0038 21.4643 176.2881 95 D 4.4025 10.0018 125.5187 56.1184 39.0982 176.1586 96 G 4.0165 8.4052 105.3472 45.2479 0.0000 173.4488 97 K 4.4174 7.8307 120.4866 54.9842 33.3470 175.5340 98 M 4.0992 8.5469 123.8116 54.8891 32.8795 176.6115 99 V 3.6171 8.5116 127.4068 66.2408 31.6845 177.2592 100 N 4.2566 8.1542 115.6745 56.8019 38.4518 176.7804 101 E 3.9379 8.1083 119.4156 59.1830 29.6194 178.5558 102 A 4.0966 8.0512 121.0070 54.9315 18.3958 179.5819 103 L 3.3793 8.3031 118.0147 57.8489 41.7200 179.9586 104 V 3.8489 7.5060 119.4258 65.4743 31.2361 178.0829 105 R 3.9734 7.9458 117.6091 58.7558 29.9553 177.4746 106 Q 4.4289 7.4098 115.4528 54.5671 29.1791 175.6533 107 G 3.9850 7.9595 108.4970 46.8580 0.0000 175.0568 108 L 4.4708 7.8199 118.0227 54.1967 42.6556 176.5193 109 A 4.8549 7.5198 120.0191 50.2045 23.0467 175.2121 110 K 4.7610 8.5173 119.0245 54.6628 34.6925 176.5376 111 V 4.2272 9.0900 123.7343 63.5360 32.3008 174.9588 112 A 4.2184 9.3292 127.4236 51.0853 23.4035 175.0388 113 Y 3.1992 7.7591 113.8444 58.9687 35.4633 173.7381 114 V 3.8689 7.3843 118.8835 62.5658 30.8621 174.2273 115 Y 4.7905 8.0716 124.1831 55.7041 39.9393 177.1252 116 K 4.0259 8.9026 123.3482 59.5716 32.7267 178.6482 117 G 3.7992 8.2167 107.3832 48.1543 0.0000 172.9067 118 N 5.4980 8.1066 116.4300 52.1028 39.4421 173.9885 119 N 5.2267 7.8395 111.0667 52.8605 39.1920 177.1267 120 T 3.8497 8.7720 117.6107 67.9814 68.7090 175.0169 121 H 4.7898 7.9580 116.2269 55.8859 29.1556 176.9847 122 E 3.9761 8.5378 123.4098 59.8538 29.3485 178.9722 123 Q 4.0174 8.0337 117.4322 58.4808 28.8499 177.7727 124 L 3.8972 8.0161 121.0895 58.6245 41.9498 179.1632 125 L 4.0658 7.9226 118.3798 57.7580 41.5429 179.7919 126 R 3.9392 8.1913 118.2543 58.7472 29.9756 178.7586 127 K 3.7741 8.5302 119.8177 59.6262 32.1360 178.5839 128 A 3.9682 7.9328 120.8263 55.2310 18.2641 179.2434 129 E 3.9015 8.5733 117.9976 59.0755 29.6846 178.7685 130 A 3.7701 8.3751 121.3143 55.3770 18.4030 179.7271 131 Q 3.9153 7.9754 116.1325 58.8084 28.7373 178.6518 132 A 3.9920 8.2835 122.3162 55.0402 18.4451 179.6684 133 K 3.0858 7.9680 118.3556 59.2049 31.9549 178.6665 134 K 3.7799 7.8172 118.9758 59.5037 32.0990 177.2560 135 E 4.3702 7.6048 114.4760 54.8008 30.2154 175.9602 136 K 4.1811 8.1811 117.3299 56.1505 30.5640 175.6000 137 L 4.1648 8.1890 118.1075 56.0616 44.1142 179.3712 138 N 3.2294 9.1942 117.4044 54.0649 38.8444 176.1313 139 I 3.2127 5.4200 128.6612 64.3775 37.7750 176.8934 140 W 4.8948 8.2461 119.5681 56.2891 28.9847 176.6293 141 S 4.3738 8.0181 119.7595 58.4951 62.4802 173.6974 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 7 L 8.17 4.44 0.00 1.80 1.78 1.09 0.92 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 8 H 8.19 4.93 0.00 3.17 3.24 0.00 5.52 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.52 4.48 0.00 1.58 1.70 0.00 1.43 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.03 1.21 7.81 10 E 9.34 5.02 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 11 P 0.00 4.81 0.00 2.11 2.09 0.00 3.90 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 2.04 2.01 0.00 12 A 8.02 4.87 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 13 T 8.35 4.64 4.27 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 1.24 0.00 0.00 14 L 8.73 4.12 0.00 1.67 1.66 0.97 1.03 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 15 I 8.51 4.32 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.85 0.94 0.00 0.00 16 K 8.30 4.55 0.00 1.79 1.60 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.38 7.81 17 A 8.79 4.39 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 18 I 8.23 4.38 2.09 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 1.47 0.87 0.90 0.00 0.00 19 D 7.41 4.68 0.00 2.87 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 9.41 4.04 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 0.00 0.00 0.00 21 D 8.41 5.15 0.00 2.73 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 22 T 7.98 5.22 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 1.20 0.00 0.00 23 V 8.83 4.72 2.14 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 0.84 0.00 0.00 0.96 0.00 0.00 24 K 9.38 4.88 0.00 1.86 1.79 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.46 7.81 25 K 9.48 5.30 0.00 2.00 1.89 0.00 1.36 0.00 0.00 1.50 0.00 0.00 2.61 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.51 7.81 26 M 9.15 5.04 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 27 Y 8.99 5.00 0.00 3.35 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 28 K 9.55 3.46 0.00 1.43 1.59 0.00 1.50 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.01 0.21 7.81 29 G 8.41 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 0.00 0.00 0.00 30 Q 7.66 4.86 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 31 P 0.00 4.79 0.00 2.09 2.10 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 32 M 9.33 4.64 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.16 0.00 33 T 8.51 4.72 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 1.20 0.00 0.00 34 F 9.51 4.97 0.00 3.13 2.89 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 35 R 9.18 5.00 0.00 1.87 1.77 0.00 3.34 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 36 L 8.70 4.38 0.00 1.67 1.61 0.98 1.25 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 37 L 8.45 3.94 0.00 0.87 1.24 0.22 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.96 4.60 0.00 2.06 1.95 1.20 1.22 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 39 V 7.35 5.11 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 0.74 0.00 0.00 1.03 0.00 0.00 40 D 9.14 4.97 0.00 2.91 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.93 4.77 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 1.30 0.00 0.00 42 P 0.00 4.70 0.00 2.01 2.01 0.00 3.68 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 2.03 2.10 0.00 43 E 9.36 4.01 0.00 2.02 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 2.48 2.43 0.00 *50 F 8.58 4.52 0.00 3.02 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 51 N 8.23 4.57 0.00 2.91 3.01 0.00 0.00 5.97 7.66 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 52 E 8.00 4.41 0.00 2.10 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 2.23 2.21 0.00 53 K 8.06 3.86 0.00 1.50 1.50 0.00 1.61 0.00 0.00 1.46 0.00 0.00 2.61 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.91 7.81 54 Y 7.77 4.10 0.00 3.18 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 55 G 7.95 3.60 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 0.00 0.00 0.00 56 P 0.00 4.11 0.00 1.96 1.65 0.00 3.36 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 1.71 1.21 0.00 57 E 8.10 4.03 0.00 2.24 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 0.00 2.60 2.60 0.00 58 A 8.52 4.03 1.40 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 0.00 0.00 0.00 59 S 8.61 4.14 0.00 4.22 4.11 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 60 A 8.35 4.16 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 61 F 8.82 3.94 0.00 3.26 3.21 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 62 T 8.32 4.04 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 63 K 8.30 3.90 0.00 1.96 2.02 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.56 1.54 7.81 64 K 8.21 3.84 0.00 1.79 1.63 0.00 1.63 0.00 0.00 1.45 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.39 7.81 65 M 7.42 3.86 0.00 2.12 1.85 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 66 V 8.16 3.82 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 0.80 0.00 0.00 1.02 0.00 0.00 67 E 8.34 4.13 0.00 2.16 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 2.34 2.28 0.00 68 N 8.17 4.48 0.00 2.73 2.84 0.00 0.00 7.00 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 69 A 7.52 4.70 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 70 K 8.95 4.10 0.00 1.88 1.95 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.44 7.81 71 K 8.73 4.50 0.00 1.80 1.79 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.39 7.81 72 I 8.38 4.91 2.04 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 1.35 1.12 0.87 0.00 0.00 73 E 9.18 4.92 0.00 1.90 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 2.20 2.21 0.00 74 V 9.12 4.43 1.79 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 0.10 0.00 0.00 -0.14 0.00 0.00 75 E 9.02 5.06 0.00 2.24 2.31 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 2.50 2.40 0.00 76 F 8.67 4.56 0.00 3.03 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 77 D 8.53 4.95 0.00 2.74 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 78 K 8.98 4.38 0.00 1.78 1.89 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.46 7.81 79 G 7.95 4.04 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 0.00 0.00 0.00 80 Q 8.57 4.14 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 81 R 8.41 4.49 0.00 1.63 1.47 0.00 2.58 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.38 0.00 82 T 7.52 5.03 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 1.15 0.00 0.00 83 D 9.04 4.91 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.20 3.90 0.00 1.58 1.73 0.00 1.24 0.00 0.00 1.47 0.00 0.00 2.90 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.74 0.31 7.81 85 Y 7.90 4.41 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.31 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 87 R 8.66 4.40 0.00 2.07 1.86 0.00 3.11 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 88 G 8.47 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 9.49 5.44 0.00 1.54 1.60 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.19 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.61 4.76 0.00 2.93 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 92 I 8.99 4.86 1.76 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.97 0.81 0.00 0.00 93 Y 9.06 5.16 0.00 2.78 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 94 A 9.21 4.74 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 95 D 10.00 4.40 0.00 2.81 2.70 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 96 G 8.41 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 97 K 7.83 4.42 0.00 1.97 1.78 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.39 7.81 98 M 8.55 4.10 0.00 1.87 1.62 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 2.34 0.00 99 V 8.51 3.62 2.05 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 1.14 0.00 0.00 0.95 0.00 0.00 100 N 8.15 4.26 0.00 2.88 2.95 0.00 0.00 6.70 7.66 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 0.00 101 E 8.11 3.94 0.00 1.97 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 2.37 2.36 0.00 102 A 8.05 4.10 1.61 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 0.00 0.00 103 L 8.30 3.38 0.00 1.78 1.60 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.51 3.85 2.23 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 1.25 0.00 0.00 1.01 0.00 0.00 105 R 7.95 3.97 0.00 1.93 2.10 0.00 3.34 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 106 Q 7.41 4.43 0.00 1.53 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.48 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 107 G 7.96 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 0.00 108 L 7.82 4.47 0.00 1.26 1.50 0.56 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.52 4.85 1.16 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 0.00 110 K 8.52 4.76 0.00 1.75 1.81 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.35 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.15 1.22 7.81 111 V 9.09 4.23 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 0.74 0.00 0.00 1.02 0.00 0.00 112 A 9.33 4.22 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.76 3.20 0.00 3.14 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 0.00 114 V 7.38 3.87 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.98 0.00 0.00 115 Y 8.07 4.79 0.00 3.05 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 0.00 116 K 8.90 4.03 0.00 1.76 1.92 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.55 7.81 117 G 8.22 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.11 5.50 0.00 2.79 2.80 0.00 0.00 6.75 8.14 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 0.00 119 N 7.84 5.23 0.00 2.88 3.18 0.00 0.00 6.07 7.22 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 0.00 120 T 8.77 3.85 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 1.09 0.00 0.00 121 H 7.96 4.79 0.00 2.88 3.08 0.00 5.63 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.54 3.98 0.00 2.14 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 2.40 0.00 123 Q 8.03 4.02 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.60 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 124 L 8.02 3.90 0.00 1.74 1.87 0.94 0.57 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 0.00 125 L 7.92 4.07 0.00 1.80 1.74 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.19 3.94 0.00 1.99 1.95 0.00 3.14 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 127 K 8.53 3.77 0.00 1.98 2.01 0.00 1.50 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.49 7.81 128 A 7.93 3.97 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 0.00 129 E 8.57 3.90 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.59 0.00 130 A 8.38 3.77 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 0.00 131 Q 7.98 3.92 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 132 A 8.28 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.97 3.09 0.00 0.91 1.40 0.00 1.28 0.00 0.00 1.01 0.00 0.00 2.13 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.99 0.21 7.81 134 K 7.82 3.78 0.00 1.86 1.93 0.00 1.95 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.46 7.81 135 E 7.60 4.37 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 136 K 8.18 4.18 0.00 1.83 1.91 0.00 1.56 0.00 0.00 1.57 0.00 0.00 3.15 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.42 1.71 7.81 137 L 8.19 4.16 0.00 1.98 1.73 1.00 0.81 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 0.00 138 N 9.19 3.23 0.00 2.53 1.59 0.00 0.00 7.14 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 0.00 139 I 5.42 3.21 0.94 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.05 0.07 0.00 0.00 140 W 8.25 4.89 0.00 3.31 3.12 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 0.00 0.00 0.00 141 S 8.02 4.37 0.00 3.98 4.07 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 * Residues marked with a * may have inaccurate shift predictions.