NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 E 4.2279 8.4449 116.7549 55.1036 31.6366 179.3288 *19 P 4.3099 0.0000 0.0000 63.2968 33.6823 176.0989 20 Q 4.0544 8.5657 119.7592 59.3203 28.6832 179.2967 21 E 4.0124 8.1546 118.9791 59.6081 29.5858 179.3007 22 Q 4.0338 8.0319 117.5346 59.0147 28.8367 178.5469 23 Q 4.0413 8.2412 119.1522 58.9192 28.6588 178.7437 24 L 4.0948 8.1811 121.1677 57.9434 41.9302 178.6459 25 A 3.9888 7.9332 119.9686 55.2739 18.3639 179.5101 26 V 3.7270 7.7553 115.4842 66.0624 31.9504 177.9676 27 K 4.1955 8.1208 118.3081 59.6274 31.7978 179.0909 28 Y 3.1972 7.8859 115.8083 58.4616 38.3082 177.2029 *30 D 4.4784 8.0600 119.6303 53.9402 43.1347 177.7290 31 A 3.9558 7.9622 121.7556 55.1262 18.9190 179.4145 32 L 3.8467 8.1004 118.2757 58.4045 42.2104 179.3905 33 T 4.3094 7.7765 106.7548 64.3621 68.9787 175.0564 34 E 4.1535 8.2059 120.0568 56.7889 29.9985 175.8719 35 H 3.7041 7.6898 115.3428 56.6162 26.9414 176.7576 36 D 4.5005 7.7999 118.7705 53.5909 39.1083 174.5347 37 Y 4.4147 7.6885 122.1371 60.1124 38.0957 177.2565 38 K 3.9981 8.0622 119.8810 59.7932 32.7826 178.5483 39 T 4.1210 7.9990 116.1752 66.3989 68.4174 176.6275 40 L 4.0842 8.3395 122.6608 58.3640 42.1663 178.9096 41 I 3.8317 8.2262 118.7608 64.1413 37.6335 177.7307 42 T 3.9688 7.7001 109.2326 63.9664 68.7756 174.9594 43 F 4.7266 8.1798 119.0390 57.3070 39.5535 174.6677 44 Y 5.4513 7.7575 118.5058 56.0961 40.9510 174.4422 45 N 5.2987 8.6877 119.6288 50.8959 40.3070 174.9684 46 R 4.1786 8.6283 113.1694 58.5086 29.6079 176.7855 47 D 4.6477 8.1844 117.5128 54.8812 41.6806 176.8326 48 S 4.4837 8.1946 117.2567 58.9426 64.0180 173.1991 49 I 4.7633 8.7139 125.9911 59.6176 39.3370 174.2981 50 F 5.1068 9.4070 130.5391 56.5037 41.3031 174.0876 51 F 5.3638 8.9353 129.2034 56.6205 42.2037 173.5327 52 D 4.7384 9.2736 128.4381 52.9438 40.3354 176.9598 53 K 2.9281 8.2715 126.9382 58.6743 32.3718 180.1181 54 T 3.8740 7.8202 107.9820 63.9579 69.0284 175.1583 55 A 4.1608 8.6767 123.2936 51.6389 19.4432 176.0836 56 N 4.2553 7.3572 113.4122 54.9418 38.0509 174.1449 57 R 4.5752 8.2029 115.4043 54.0783 33.5177 175.8913 58 K 4.9952 8.2219 124.4816 54.6774 35.2300 174.6173 59 Y 4.7125 9.1110 123.8779 56.4858 41.8100 174.3457 60 T 4.9827 8.9695 120.2559 62.9165 71.5879 174.6570 61 G 4.0527 9.5265 113.9543 45.6165 0.0000 174.3349 62 G 3.7982 8.9902 108.9830 47.8758 0.0000 175.7257 63 R 3.6580 7.9022 120.6557 59.2781 29.9289 178.3032 64 F 4.3279 7.7183 116.5082 59.9501 39.1042 177.9845 65 I 3.5864 7.8195 119.6801 64.4807 36.8795 178.5238 66 I 3.4739 7.8071 120.7232 64.2433 36.8887 178.1974 67 D 4.1937 7.8782 119.8189 57.1901 40.5775 178.6021 68 F 3.8974 7.8893 120.9823 61.2560 39.2892 177.1673 69 L 3.0625 7.4981 118.4543 57.4550 41.1037 179.3322 70 E 3.9793 7.8363 117.6713 59.4408 29.1488 179.4538 71 R 3.9675 7.7166 117.5718 59.1578 29.9853 178.9570 72 A 3.7852 7.6490 119.6665 54.4814 18.4492 178.5188 73 H 5.0657 7.6529 113.1131 54.3674 29.4262 174.4188 74 Q 4.0772 7.1404 118.9179 58.0356 28.4141 177.0401 75 G 3.9113 8.9868 109.6010 45.6896 0.0000 173.6714 76 V 3.4530 7.4774 118.7546 62.1809 31.6454 176.0228 77 L 4.2949 8.2558 122.9962 56.8022 42.6677 176.9538 78 E 4.6917 7.4398 117.9854 55.0359 33.2991 173.4032 79 Y 5.4887 8.3690 126.5019 56.8202 41.9551 173.3207 80 D 4.6280 9.0511 125.0365 52.9036 46.2782 174.1629 81 F 4.8510 8.5566 123.8225 56.7226 40.9621 174.8853 82 N 4.4645 8.8140 126.2508 51.8971 39.4179 174.7205 83 I 3.6474 7.6790 125.7335 60.8586 37.2520 175.9988 84 E 4.2552 8.9446 127.7456 58.7741 30.4585 175.6123 85 H 4.8181 7.7431 116.4092 55.2407 33.5782 171.6084 *87 Y 4.7466 8.2583 118.4506 57.0420 39.5276 173.5576 88 N 5.2611 8.6664 114.8327 51.3621 40.4232 174.2253 89 A 4.5504 8.7918 122.9787 50.8171 20.8116 177.1289 90 G 3.6939 8.2318 114.5948 48.1538 0.0000 172.9884 91 S 4.4345 8.6315 119.5623 57.9993 63.2293 172.5615 92 L 4.8561 8.0007 124.9692 54.1174 43.2676 175.1219 93 V 4.6457 8.7529 127.4005 61.1943 33.8346 174.8409 94 V 4.3170 8.0884 127.5032 60.7933 34.7699 174.2612 *96 I 4.0791 8.0828 121.1742 61.3602 38.3634 175.0925 97 G 3.9095 8.6569 113.7947 46.4375 0.0000 171.4396 98 N 5.5910 8.2199 120.3302 52.3554 43.1194 174.0028 99 Y 5.0701 9.3495 124.4832 57.2919 39.8591 173.8696 100 H 5.4863 9.3002 125.7769 54.7852 31.8417 173.4213 101 F 5.3419 9.3028 127.8404 56.2828 42.6107 173.0600 102 K 4.7289 7.9031 127.6303 54.6417 34.7857 175.2415 103 G 4.2280 8.2598 113.0493 45.2751 0.0000 170.5950 104 P 4.7993 0.0000 0.0000 62.9701 31.7324 177.1836 105 G 4.1172 8.8995 109.5305 45.2808 0.0000 175.4379 106 E 3.9681 8.5227 120.7577 59.6395 29.4821 178.5164 107 Q 4.3613 8.1502 112.6027 56.4143 28.8048 175.8230 108 F 4.5624 8.0840 115.2313 57.2574 39.7541 175.7059 109 G 3.9457 8.1703 108.4328 46.1649 0.0000 174.8922 110 K 4.7198 8.3117 116.4262 53.7773 32.4924 174.6743 111 P 4.3577 0.0000 0.0000 64.4284 32.0445 177.5368 112 G 3.9716 9.5596 109.1153 45.4163 0.0000 172.9959 113 K 4.7625 7.5338 117.6658 54.4432 36.8501 174.8887 114 I 4.7629 8.3009 122.8353 60.1071 38.3626 175.6167 115 I 4.5344 8.5967 121.3548 59.7540 40.3935 174.6101 116 D 5.0953 8.9005 122.7381 53.2183 43.7159 174.8087 117 V 4.8262 9.2509 118.9799 59.5985 36.3802 175.1205 118 A 5.1619 9.4459 124.7071 50.6031 21.1244 175.3871 119 I 4.4687 9.0815 123.3954 59.6039 39.5520 174.1612 120 P 4.8887 0.0000 0.0000 63.3104 32.4621 175.2823 121 A 5.1051 8.9698 123.0712 51.1907 23.5000 175.1608 122 V 4.7515 8.7802 119.3262 61.3709 34.6641 174.5214 123 T 5.2172 8.7828 123.7769 61.7020 71.2119 173.3396 124 S 5.0253 9.0782 120.9802 56.4184 66.3389 172.9009 125 L 5.1061 8.8224 122.0760 52.8638 44.9699 175.1699 126 K 4.7952 9.1412 125.8888 55.0938 33.6143 174.9337 127 L 5.0847 8.6509 127.9830 53.2955 43.8690 175.7642 128 D 4.6346 9.0548 122.6499 53.0229 43.4977 176.8400 *130 L 4.1929 8.4050 122.1216 55.0195 43.4097 177.1906 131 N 4.5968 8.3662 112.0391 52.4859 39.4137 174.9148 132 R 3.8371 7.8293 116.8776 57.7760 27.8614 175.3790 133 R 5.0741 7.9934 114.9709 54.3920 34.8015 176.4211 134 V 4.4973 8.8876 123.0522 62.3186 31.6922 175.8098 135 T 4.3679 9.0016 119.7050 63.8271 70.6883 174.6888 136 E 5.1318 8.0009 122.7685 54.8652 33.5188 173.2031 137 H 5.2938 9.6629 127.5037 54.4703 32.5825 172.3371 138 V 4.7534 8.8409 126.6563 61.1818 34.0681 173.7253 139 D 5.2321 8.7587 128.0421 52.6046 43.5905 175.4733 140 L 4.5821 9.1230 123.6346 53.0837 43.5401 174.8723 141 I 4.4154 8.5336 124.8045 59.2211 39.4052 176.6353 142 D 4.5961 8.5144 127.0336 53.0841 39.4777 176.3119 143 Y 4.2649 7.8033 120.4098 60.3965 38.8382 177.6394 144 Q 4.2131 7.8183 118.9116 59.4431 29.4887 178.6959 145 T 4.3580 8.0306 114.5049 63.7503 67.9924 176.6398 *147 S 4.5141 8.2338 119.2971 58.8613 64.9983 176.1566 148 D 4.4136 8.5433 119.5026 57.5317 40.5661 178.6644 149 Q 4.1733 8.0028 117.2143 59.0857 28.8549 178.5611 150 L 4.1852 7.9856 117.9299 57.2669 41.8568 179.8737 151 A 4.2226 7.9015 121.7084 51.7447 18.3385 177.3544 *153 Q 4.0687 8.1587 125.9534 57.7208 29.2849 175.6432 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 17 E 8.44 4.23 0.00 2.01 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.91 0.00 *19 P 0.00 4.31 0.00 2.19 2.05 0.00 3.59 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 20 Q 8.57 4.05 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 21 E 8.15 4.01 0.00 2.06 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 2.55 2.48 0.00 22 Q 8.03 4.03 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 23 Q 8.24 4.04 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 24 L 8.18 4.09 0.00 1.86 1.86 1.14 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.93 3.99 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 26 V 7.76 3.73 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 0.88 0.00 0.00 1.01 0.00 0.00 27 K 8.12 4.20 0.00 2.21 2.07 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.72 7.81 28 Y 7.89 3.20 0.00 1.84 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 *30 D 8.06 4.48 0.00 2.99 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 31 A 7.96 3.96 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 32 L 8.10 3.85 0.00 1.26 1.49 0.98 1.21 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 33 T 7.78 4.31 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 1.14 0.00 0.00 34 E 8.21 4.15 0.00 2.06 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 2.34 2.33 0.00 35 H 7.69 3.70 0.00 2.99 2.66 0.00 5.84 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.80 4.50 0.00 2.74 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 37 Y 7.69 4.41 0.00 3.05 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 38 K 8.06 4.00 0.00 1.80 1.88 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.56 7.81 39 T 8.00 4.12 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 40 L 8.34 4.08 0.00 1.94 1.84 0.59 1.25 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 41 I 8.23 3.83 2.05 0.00 0.00 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 1.64 1.14 1.03 0.00 0.00 42 T 7.70 3.97 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 1.23 0.00 0.00 43 F 8.18 4.73 0.00 2.96 2.93 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 0.00 0.00 0.00 0.00 44 Y 7.76 5.45 0.00 3.06 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 45 N 8.69 5.30 0.00 2.90 3.00 0.00 0.00 6.82 7.68 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 46 R 8.63 4.18 0.00 2.02 2.16 0.00 3.06 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 47 D 8.18 4.65 0.00 2.88 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 48 S 8.19 4.48 0.00 3.94 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 49 I 8.71 4.76 1.89 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 1.07 0.89 0.86 0.00 0.00 50 F 9.41 5.11 0.00 3.08 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 51 F 8.94 5.36 0.00 2.79 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 52 D 9.27 4.74 0.00 2.99 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 53 K 8.27 2.93 0.00 1.52 1.49 0.00 1.58 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.81 0.21 7.81 54 T 7.82 3.87 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 55 A 8.68 4.16 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 56 N 7.36 4.26 0.00 2.80 2.85 0.00 0.00 6.93 7.41 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 57 R 8.20 4.58 0.00 1.78 1.58 0.00 3.11 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.70 0.00 58 K 8.22 5.00 0.00 1.35 1.30 0.00 1.37 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.10 7.81 59 Y 9.11 4.71 0.00 2.83 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 60 T 8.97 4.98 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 1.33 0.00 0.00 61 G 9.53 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 62 G 8.99 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 63 R 7.90 3.66 0.00 1.60 1.27 0.00 2.85 0.00 0.00 2.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.40 0.00 64 F 7.72 4.33 0.00 3.18 3.16 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 65 I 7.82 3.59 1.54 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 0.82 0.00 0.00 66 I 7.81 3.47 1.73 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 1.34 0.69 -0.02 0.00 0.00 67 D 7.88 4.19 0.00 2.90 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 68 F 7.89 3.90 0.00 1.66 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 69 L 7.50 3.06 0.00 1.72 1.63 0.98 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.84 3.98 0.00 1.98 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 2.33 2.42 0.00 71 R 7.72 3.97 0.00 1.89 1.88 0.00 3.11 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 72 A 7.65 3.79 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 7.65 5.07 0.00 3.21 3.21 0.00 5.66 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 7.14 4.08 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.28 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 75 G 8.99 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 76 V 7.48 3.45 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 0.63 0.00 0.00 0.50 0.00 0.00 77 L 8.26 4.29 0.00 1.52 1.65 0.89 0.88 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 78 E 7.44 4.69 0.00 1.92 1.58 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 0.00 2.28 2.30 0.00 79 Y 8.37 5.49 0.00 2.76 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 80 D 9.05 4.63 0.00 2.61 2.43 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 81 F 8.56 4.85 0.00 2.48 2.75 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 82 N 8.81 4.46 0.00 2.48 2.60 0.00 0.00 6.67 7.28 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 83 I 7.68 3.65 1.63 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 0.65 -0.27 0.76 0.00 0.00 84 E 8.94 4.26 0.00 1.91 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 0.00 2.24 2.13 0.00 85 H 7.74 4.82 0.00 3.09 3.24 0.00 5.95 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 Y 8.26 4.75 0.00 3.05 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 88 N 8.67 5.26 0.00 3.04 2.76 0.00 0.00 5.73 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 89 A 8.79 4.55 1.30 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 0.00 0.00 90 G 8.23 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 0.00 0.00 0.00 91 S 8.63 4.43 0.00 4.14 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 92 L 8.00 4.86 0.00 1.80 1.74 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.75 4.65 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 0.91 0.00 0.00 0.94 0.00 0.00 94 V 8.09 4.32 0.67 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 0.53 0.00 0.00 0.66 0.00 0.00 *96 I 8.08 4.08 1.96 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.63 0.96 0.00 0.00 97 G 8.66 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 98 N 8.22 5.59 0.00 2.89 2.57 0.00 0.00 7.58 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 9.35 5.07 0.00 3.09 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 0.00 100 H 9.30 5.49 0.00 3.26 3.22 0.00 5.54 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 0.00 101 F 9.30 5.34 0.00 3.39 2.93 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 0.00 0.00 0.00 0.00 102 K 7.90 4.73 0.00 1.68 1.37 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.17 1.42 7.81 103 G 8.26 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 0.00 0.00 0.00 0.00 104 P 0.00 4.80 0.00 2.17 2.14 0.00 3.93 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 105 G 8.90 4.12 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 0.00 0.00 0.00 106 E 8.52 3.97 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 2.44 2.42 0.00 107 Q 8.15 4.36 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.06 0.00 0.00 0.00 0.00 0.00 2.30 1.94 0.00 108 F 8.08 4.56 0.00 3.11 3.10 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 0.00 109 G 8.17 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 0.00 110 K 8.31 4.72 0.00 1.80 1.75 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.53 7.81 111 P 0.00 4.36 0.00 2.19 2.09 0.00 3.91 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 112 G 9.56 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.53 4.76 0.00 1.85 1.67 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.44 7.81 114 I 8.30 4.76 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 1.39 0.78 0.86 0.00 0.00 115 I 8.60 4.53 1.74 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.73 0.88 0.00 0.00 116 D 8.90 5.10 0.00 2.66 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 0.00 117 V 9.25 4.83 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 0.74 0.00 0.00 1.12 0.00 0.00 118 A 9.45 5.16 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 0.00 119 I 9.08 4.47 2.05 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 1.36 0.97 0.92 0.00 0.00 120 P 0.00 4.89 0.00 2.10 2.01 0.00 3.68 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 2.15 2.14 0.00 121 A 8.97 5.11 1.51 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 0.00 0.00 122 V 8.78 4.75 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 0.98 0.00 0.00 0.99 0.00 0.00 123 T 8.78 5.22 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 0.00 124 S 9.08 5.03 0.00 3.78 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 0.00 125 L 8.82 5.11 0.00 1.46 1.41 0.83 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 126 K 9.14 4.80 0.00 1.83 1.68 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.45 7.81 127 L 8.65 5.08 0.00 1.55 1.57 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.05 4.63 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *130 L 8.40 4.19 0.00 1.66 1.88 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 131 N 8.37 4.60 0.00 2.94 2.83 0.00 0.00 7.19 7.82 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 0.00 132 R 7.83 3.84 0.00 1.85 1.75 0.00 3.02 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 133 R 7.99 5.07 0.00 1.78 1.93 0.00 3.21 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 134 V 8.89 4.50 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 0.74 0.00 0.00 0.05 0.00 0.00 135 T 9.00 4.37 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 136 E 8.00 5.13 0.00 2.04 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 0.00 2.31 2.35 0.00 137 H 9.66 5.29 0.00 3.33 3.19 0.00 5.60 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.84 4.75 2.04 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 0.93 0.00 0.00 0.97 0.00 0.00 139 D 8.76 5.23 0.00 2.44 2.48 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 0.00 140 L 9.12 4.58 0.00 1.60 1.55 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.53 4.42 0.96 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.67 0.20 0.00 0.00 142 D 8.51 4.60 0.00 2.75 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 0.00 143 Y 7.80 4.26 0.00 3.08 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 0.00 144 Q 7.82 4.21 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 7.14 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 145 T 8.03 4.36 4.46 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 1.26 0.00 0.00 *147 S 8.23 4.51 0.00 4.13 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 0.00 148 D 8.54 4.41 0.00 2.83 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 0.00 149 Q 8.00 4.17 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 150 L 7.99 4.19 0.00 1.81 1.79 1.10 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.90 4.22 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *153 Q 8.16 4.07 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 * Residues marked with a * may have inaccurate shift predictions.