NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *21 S 4.3437 8.3349 117.1044 57.9466 62.7555 172.9300 22 L 4.2732 8.1321 127.5079 51.8085 41.2584 175.3439 23 A 4.1397 8.6323 127.9521 54.5455 19.6294 175.9997 24 D 5.0473 7.5591 112.5399 51.2624 42.8684 175.8687 25 S 4.1811 9.8791 114.9253 61.9287 62.5031 176.9973 26 K 3.9462 8.0995 120.4326 59.3884 31.8242 179.0511 27 A 3.9829 8.4227 121.1982 55.1951 18.3133 180.1417 28 V 3.6822 7.8577 117.7348 64.7606 31.5486 178.5706 29 L 4.1909 8.5011 120.1525 57.8570 41.5470 179.0820 30 N 4.2672 8.4536 117.0616 56.4629 38.6774 176.7102 31 Q 4.2518 8.3596 121.1130 59.1545 29.0941 178.1262 32 A 4.1992 8.4285 122.0940 54.9487 18.5047 179.6273 33 V 3.5459 8.0235 116.6993 66.1945 31.5918 178.2081 34 A 4.1428 8.3215 120.2205 55.5299 18.2684 179.4106 35 D 4.4146 8.6029 117.7606 57.5203 40.7960 179.1010 36 L 4.1215 8.7244 120.0188 57.7079 41.6942 179.6352 37 S 3.9017 7.8013 115.0434 61.5689 62.5845 177.0009 38 V 3.6097 7.7936 120.6529 65.8501 31.2344 177.8239 39 A 4.0042 8.3406 120.9034 55.3842 18.1449 178.9758 40 H 3.9814 8.5756 117.0355 59.4689 29.9595 177.2744 41 S 4.0929 8.0014 114.5752 61.5873 62.1893 176.2415 42 I 3.7161 8.0408 122.6110 64.4136 36.7594 178.3966 43 L 3.9536 8.2937 120.2525 58.0639 41.3246 179.1154 44 H 3.6866 8.2536 118.3527 58.8867 29.5934 177.1327 45 Q 4.2692 8.0127 121.4362 59.2862 28.8145 178.3526 46 V 3.6483 7.9420 119.3103 66.2250 31.3185 177.2192 47 H 4.1788 8.2122 116.9920 59.2767 29.7316 176.9736 48 W 4.6551 8.2589 119.2172 59.9776 28.9008 177.5050 49 Y 4.2633 8.6549 114.7458 57.2144 37.6292 175.1944 50 M 4.4611 7.5417 121.2245 55.9644 32.9546 175.6773 51 R 4.6594 8.7717 123.3069 55.4711 34.6165 173.7210 52 G 4.1998 8.9785 106.6268 43.0240 0.0000 173.3247 53 R 4.2651 8.3166 119.6426 57.3124 30.4415 177.3437 54 G 4.2806 9.4484 109.8738 45.5533 0.0000 175.1654 55 F 4.1063 8.7881 122.4136 61.9213 39.0860 176.7422 56 M 4.1886 8.4012 115.4315 58.0485 31.7167 177.1120 57 I 3.8397 7.5293 117.8873 62.9603 38.7675 177.3503 58 W 4.1208 8.3607 119.8201 59.0688 28.6961 178.0649 59 H 3.8826 8.0125 118.6454 58.8013 29.5119 175.3113 60 P 4.2141 0.0000 0.0000 65.4290 31.1128 178.1098 61 K 3.5446 7.3250 118.5736 59.4871 31.8839 178.6073 62 M 3.9567 7.9032 119.0152 58.2691 31.8069 178.2268 63 D 4.0432 7.7011 118.2580 57.1163 41.3549 178.1628 64 E 3.9029 7.7201 118.6735 59.6079 29.4519 178.7216 65 Y 4.4800 8.0270 117.0579 61.4374 37.8345 178.5873 66 M 4.0089 8.3100 119.8154 58.3455 32.0454 178.3956 67 E 3.8795 8.2204 119.4538 59.0704 29.7867 178.5038 68 E 3.6489 8.2335 119.2839 59.2899 29.6623 178.6342 69 I 3.5851 7.8134 120.0751 64.6038 37.1044 177.9207 70 D 4.4081 8.4320 119.9540 57.3178 40.5706 179.1147 71 G 3.5654 7.8376 105.9248 48.1558 0.0000 175.2214 72 Y 4.2745 7.5376 119.6515 60.5888 37.7977 178.4684 73 L 4.0048 8.2710 121.4180 58.2590 42.1404 178.7701 74 D 4.3271 8.3238 118.9751 57.5225 40.9179 178.6610 75 E 3.9130 8.3528 119.1086 59.7708 29.4205 179.4889 76 M 3.9507 8.4725 119.3287 58.0528 31.9901 179.0108 77 S 4.0961 8.2746 114.6543 61.6306 63.1665 176.3993 78 E 3.9206 8.1468 122.6178 58.8956 29.1635 179.4178 79 R 3.8046 7.8291 118.2916 59.0814 30.0550 178.1835 80 L 3.9057 8.0113 120.2558 58.3580 42.0554 179.0053 81 I 3.8339 7.8674 119.6384 64.8861 36.8301 178.5878 82 T 3.8746 7.9021 115.4312 66.3681 68.3434 175.8380 83 L 4.3265 7.7108 118.2455 55.0600 41.8688 177.6923 84 G 3.8681 8.1757 108.0237 45.1780 0.0000 173.9808 85 G 3.7853 7.8365 109.0992 44.0333 0.0000 173.4452 86 A 4.4809 8.0115 121.1959 49.1743 20.2838 174.2161 87 P 4.5269 0.0000 0.0000 63.0531 32.1317 176.7708 88 F 4.6906 8.7106 120.6427 58.4575 39.2575 176.0061 89 S 4.8659 8.9417 119.9809 56.8857 63.5967 174.4070 90 T 4.4802 6.8431 109.5018 59.9817 72.9427 173.5279 91 L 3.9808 8.2309 122.2647 57.5967 41.6017 179.6918 92 K 3.8234 7.8132 119.2122 59.5686 32.1233 178.4624 93 E 3.6230 7.5932 118.3025 59.2997 29.2890 179.1118 94 F 4.4631 7.5222 117.6710 60.8462 38.8214 177.5048 95 S 4.1215 8.2930 111.6498 61.7926 62.3272 175.9808 96 E 4.0727 8.1033 119.7842 59.2947 29.2584 178.6496 97 N 4.4674 8.1764 115.7344 54.3831 39.1217 175.9282 98 S 4.4956 7.5907 114.6273 58.3529 62.9694 173.8270 99 Q 4.3013 8.6242 123.9738 56.2267 29.1924 176.5016 100 L 3.9538 7.4610 118.5989 54.0791 42.3018 176.3009 101 K 4.5188 8.2735 120.8880 54.6662 34.2530 175.7328 102 E 4.6165 8.5320 122.8345 54.9444 31.3528 175.4609 103 V 4.5465 7.7109 113.3269 58.9965 35.6797 175.6228 104 L 4.0572 8.2583 121.2968 54.3879 42.0390 177.8885 105 G 2.6792 8.0117 111.2564 45.4474 0.0000 172.6569 106 D 4.4271 7.3336 120.4107 52.7529 43.9696 175.6126 107 Y 4.8420 8.7292 123.2478 59.6195 38.1947 175.9175 108 N 4.8025 9.1089 117.2395 53.1273 38.7255 175.0476 109 V 4.1119 7.1632 118.2647 62.1372 32.5294 176.6274 110 T 4.3104 8.6856 117.4830 60.9841 70.8725 176.0528 111 I 3.6652 8.1893 121.8711 64.8418 37.2012 178.5867 112 E 3.8186 8.1007 118.6274 59.3513 29.2048 179.2276 113 E 3.9545 8.2162 118.7894 59.1883 29.4725 179.2081 114 Q 3.9274 8.2032 118.2559 59.0028 28.8099 178.8997 115 L 3.6823 7.9887 119.9497 57.6459 41.5118 179.3919 116 A 3.9275 7.7797 120.6249 55.0567 18.2676 179.6218 117 R 3.7194 7.9466 117.2095 59.5207 30.1111 178.9165 118 V 3.2460 7.6508 118.0819 65.7996 31.4619 177.9534 119 V 3.4612 7.8859 118.3220 66.0266 31.2600 177.6595 120 E 3.9212 8.2170 118.2176 59.5797 29.2853 179.5171 121 V 3.6576 7.7078 117.9697 66.2051 31.5423 178.0692 122 F 4.4618 8.6026 117.8955 60.6637 38.7155 177.8406 123 R 3.9499 8.7727 118.1087 59.3173 29.7884 178.3854 124 Y 3.9000 8.2076 119.2555 60.6788 38.8247 178.1075 125 L 3.4163 8.2422 119.8292 57.6032 41.6984 179.3385 126 A 3.7923 8.0819 120.6871 55.0620 18.2539 179.5727 127 A 3.7833 7.7865 119.1485 55.0659 18.3732 179.5863 128 L 3.6238 7.4223 119.0022 58.3010 42.0302 179.2812 129 F 4.4731 8.1752 118.1098 60.5577 38.7312 177.4691 130 Q 3.9921 8.2063 121.8952 59.5338 28.8271 179.0129 131 K 4.0068 7.9764 124.9433 59.7349 31.6684 181.2575 132 G 2.5606 7.6476 107.3990 46.9222 0.0000 175.4419 133 F 3.9805 7.9727 123.0552 61.1522 39.4675 176.8401 134 D 4.4609 8.6196 118.8021 57.4268 40.6800 178.9975 135 V 3.5573 8.1262 119.1498 66.1411 31.6965 178.2050 136 S 4.2597 8.2235 115.5925 60.7945 62.8284 175.9371 137 D 4.1523 8.3117 124.3432 57.7746 40.7815 178.6033 138 E 3.9947 7.9614 117.4024 61.3657 29.7586 180.5652 139 E 4.3539 8.0251 118.3854 57.2345 29.4969 178.2976 140 G 3.8351 7.6744 105.8351 46.0970 0.0000 174.6100 141 D 4.6041 7.8051 121.7008 52.5662 39.0758 176.6377 142 S 4.0811 7.9926 119.7276 60.5877 63.4975 176.6610 143 V 3.4905 7.6238 121.4761 66.3209 31.4973 177.8421 144 T 3.7287 7.8542 115.0174 66.5229 68.2860 175.8912 145 N 4.5651 8.0662 120.1972 56.2312 38.8346 176.3686 146 D 4.3677 8.1292 119.1750 57.3021 41.2654 178.1005 147 I 3.5205 7.4971 120.0036 64.5307 37.0278 178.4671 148 F 3.9626 7.8357 118.3405 60.2681 38.7048 177.3538 149 N 4.3939 8.4124 116.8924 56.6593 38.8874 177.1765 150 V 3.5495 8.1366 119.8043 65.9756 31.6687 177.8730 151 A 3.6105 7.6140 120.5336 54.7072 17.9578 179.5181 152 K 4.0843 8.1500 118.0573 59.5474 32.3671 178.7253 153 A 3.9843 8.0196 121.0452 55.4398 18.3419 179.6410 154 S 4.0703 7.9553 110.9863 61.5262 62.4786 176.3109 155 I 3.5622 7.8792 122.5708 64.4886 36.8293 178.3003 156 E 4.0644 8.4068 119.4144 59.1122 29.3548 179.2743 157 K 4.2214 8.0150 119.3696 59.9848 32.2668 178.5764 158 H 4.4175 8.2045 116.4069 58.9994 28.5360 177.7334 159 I 3.8671 7.9259 121.6795 64.1071 36.8507 178.1184 160 W 4.3527 8.3919 129.0844 60.9629 30.5656 177.9403 161 M 3.3637 7.6765 118.0109 58.0239 31.3279 178.6806 162 L 4.0017 8.3967 119.4807 58.0920 41.8125 179.6319 163 Q 3.9815 8.3809 117.7951 58.9120 28.6550 178.7721 164 A 4.0512 8.2108 122.0480 55.2486 18.1823 179.2951 165 E 4.0255 8.1662 116.7620 59.1397 29.7630 178.0854 166 L 4.4063 7.6024 116.4621 54.0134 41.7002 176.9693 167 G 3.9546 7.9701 106.5130 46.5804 0.0000 173.7171 168 Q 4.6224 8.2969 116.8799 53.2530 32.4720 175.2074 169 A 4.4683 8.2847 122.1227 51.0005 19.5446 176.1674 170 P 4.4073 0.0000 0.0000 65.0818 31.7178 178.0103 171 K 3.8427 8.1023 114.0148 57.2432 29.4874 175.1356 172 L 4.1814 7.9032 121.7190 55.2265 41.4910 177.7227 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 *21 S 8.33 4.34 0.00 3.65 3.78 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 22 L 8.13 4.27 0.00 1.70 1.69 1.02 0.59 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 23 A 8.63 4.14 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 24 D 7.56 5.05 0.00 2.93 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 25 S 9.88 4.18 0.00 3.87 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 26 K 8.10 3.95 0.00 1.94 1.84 0.00 1.65 0.00 0.00 1.96 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.51 7.81 27 A 8.42 3.98 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 28 V 7.86 3.68 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 0.90 0.00 0.00 0.76 0.00 0.00 29 L 8.50 4.19 0.00 1.95 1.77 0.90 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.45 4.27 0.00 2.77 2.47 0.00 0.00 6.90 7.20 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 31 Q 8.36 4.25 0.00 2.44 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.76 0.00 32 A 8.43 4.20 1.69 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 33 V 8.02 3.55 2.44 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 1.24 0.00 0.00 1.04 0.00 0.00 34 A 8.32 4.14 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 35 D 8.60 4.41 0.00 2.96 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 36 L 8.72 4.12 0.00 1.76 1.80 1.16 1.46 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 37 S 7.80 3.90 0.00 3.47 3.29 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 38 V 7.79 3.61 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 1.09 0.00 0.00 1.01 0.00 0.00 39 A 8.34 4.00 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 40 H 8.58 3.98 0.00 3.38 3.47 0.00 5.80 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.00 4.09 0.00 4.03 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 42 I 8.04 3.72 2.00 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 1.50 0.53 0.87 0.00 0.00 43 L 8.29 3.95 0.00 1.75 1.67 1.11 0.93 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 44 H 8.25 3.69 0.00 3.02 2.79 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.01 4.27 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 46 V 7.94 3.65 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 0.97 0.00 0.00 0.98 0.00 0.00 47 H 8.21 4.18 0.00 3.06 3.27 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 8.26 4.66 0.00 3.65 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 49 Y 8.65 4.26 0.00 3.09 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 50 M 7.54 4.46 0.00 2.26 2.36 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.87 0.00 51 R 8.77 4.66 0.00 1.91 1.81 0.00 3.54 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.02 0.00 52 G 8.98 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 0.00 0.00 0.00 53 R 8.32 4.27 0.00 1.87 1.96 0.00 3.39 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 1.67 1.61 0.00 54 G 9.45 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 0.00 0.00 0.00 0.00 55 F 8.79 4.11 0.00 3.37 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 56 M 8.40 4.19 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.71 0.00 57 I 7.53 3.84 1.70 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.28 0.72 0.00 0.00 58 W 8.36 4.12 0.00 3.38 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 59 H 8.01 3.88 0.00 1.55 2.65 0.00 5.95 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.21 0.00 2.15 2.19 0.00 3.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 61 K 7.32 3.54 0.00 1.49 1.74 0.00 1.06 0.00 0.00 1.12 0.00 0.00 2.56 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.92 0.29 7.81 62 M 7.90 3.96 0.00 2.03 2.25 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 2.66 2.97 0.00 63 D 7.70 4.04 0.00 2.56 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 64 E 7.72 3.90 0.00 1.97 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 2.30 2.37 0.00 65 Y 8.03 4.48 0.00 3.18 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 66 M 8.31 4.01 0.00 1.84 2.08 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.19 0.00 67 E 8.22 3.88 0.00 2.00 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 0.00 2.25 2.28 0.00 68 E 8.23 3.65 0.00 2.04 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 0.00 1.50 2.08 0.00 69 I 7.81 3.59 2.10 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.90 1.03 0.00 0.00 70 D 8.43 4.41 0.00 2.80 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 71 G 7.84 3.57 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 0.00 72 Y 7.54 4.27 0.00 3.18 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 73 L 8.27 4.00 0.00 1.76 1.88 0.90 1.44 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 74 D 8.32 4.33 0.00 2.88 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 75 E 8.35 3.91 0.00 2.05 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 0.00 2.31 2.48 0.00 76 M 8.47 3.95 0.00 1.93 2.14 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.98 0.00 77 S 8.27 4.10 0.00 4.06 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.15 3.92 0.00 2.10 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 2.32 2.42 0.00 79 R 7.83 3.80 0.00 1.95 1.96 0.00 3.10 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 80 L 8.01 3.91 0.00 1.85 1.83 0.93 0.81 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 81 I 7.87 3.83 2.00 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 1.52 0.59 0.91 0.00 0.00 82 T 7.90 3.87 4.38 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 1.19 0.00 0.00 83 L 7.71 4.33 0.00 1.78 1.69 0.94 0.84 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 84 G 8.18 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 85 G 7.84 3.79 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 0.00 0.00 0.00 86 A 8.01 4.48 1.21 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 87 P 0.00 4.53 0.00 2.27 2.07 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 88 F 8.71 4.69 0.00 3.44 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.94 4.87 0.00 3.99 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 90 T 6.84 4.48 4.09 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 1.17 0.00 0.00 91 L 8.23 3.98 0.00 1.70 1.81 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.81 3.82 0.00 1.75 1.70 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.48 7.81 93 E 7.59 3.62 0.00 1.80 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 2.16 2.19 0.00 94 F 7.52 4.46 0.00 3.24 3.03 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 0.00 0.00 0.00 95 S 8.29 4.12 0.00 3.94 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.10 4.07 0.00 1.92 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 2.30 2.44 0.00 97 N 8.18 4.47 0.00 2.44 2.86 0.00 0.00 7.00 7.16 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 98 S 7.59 4.50 0.00 4.06 3.83 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 99 Q 8.62 4.30 0.00 1.88 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 100 L 7.46 3.95 0.00 1.50 1.45 0.90 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.27 4.52 0.00 1.65 1.66 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.31 7.81 102 E 8.53 4.62 0.00 1.94 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 2.23 2.30 0.00 103 V 7.71 4.55 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 0.70 0.00 0.00 0.86 0.00 0.00 104 L 8.26 4.06 0.00 1.55 1.50 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.01 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 0.00 0.00 0.00 106 D 7.33 4.43 0.00 2.58 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.73 4.84 0.00 3.11 3.05 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 0.00 108 N 9.11 4.80 0.00 2.95 2.88 0.00 0.00 6.87 7.59 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 0.00 109 V 7.16 4.11 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 0.83 0.00 0.00 0.96 0.00 0.00 110 T 8.69 4.31 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 1.22 0.00 0.00 111 I 8.19 3.67 1.87 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.27 0.80 0.00 0.00 112 E 8.10 3.82 0.00 1.96 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 2.31 2.34 0.00 113 E 8.22 3.95 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 114 Q 8.20 3.93 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 115 L 7.99 3.68 0.00 1.35 1.28 -0.34 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.78 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.95 3.72 0.00 1.91 2.08 0.00 3.08 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 118 V 7.65 3.25 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 0.13 0.00 0.00 0.86 0.00 0.00 119 V 7.89 3.46 2.18 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 0.98 0.00 0.00 0.90 0.00 0.00 120 E 8.22 3.92 0.00 2.21 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 2.32 2.30 0.00 121 V 7.71 3.66 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 1.25 0.00 0.00 0.90 0.00 0.00 122 F 8.60 4.46 0.00 3.15 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 0.00 123 R 8.77 3.95 0.00 2.00 2.00 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 124 Y 8.21 3.90 0.00 3.11 3.19 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 0.00 125 L 8.24 3.42 0.00 1.64 0.95 1.05 1.13 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 0.00 126 A 8.08 3.79 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 0.00 127 A 7.79 3.78 1.17 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 0.00 0.00 0.00 128 L 7.42 3.62 0.00 1.09 1.37 1.14 1.24 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 0.00 129 F 8.18 4.47 0.00 3.12 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 8.21 3.99 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 131 K 7.98 4.01 0.00 1.82 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.33 7.81 132 G 7.65 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 0.00 0.00 0.00 133 F 7.97 3.98 0.00 3.30 3.22 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 0.00 134 D 8.62 4.46 0.00 2.84 2.73 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 0.00 135 V 8.13 3.56 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 1.04 0.00 0.00 0.95 0.00 0.00 136 S 8.22 4.26 0.00 4.23 4.19 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 0.00 137 D 8.31 4.15 0.00 2.58 2.73 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 0.00 138 E 7.96 3.99 0.00 2.11 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 2.26 2.23 0.00 139 E 8.03 4.35 0.00 2.08 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 2.41 0.00 140 G 7.67 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 D 7.81 4.60 0.00 2.71 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 0.00 142 S 7.99 4.08 0.00 4.04 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 0.00 143 V 7.62 3.49 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 1.00 0.00 0.00 0.89 0.00 0.00 144 T 7.85 3.73 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 1.27 0.00 0.00 145 N 8.07 4.57 0.00 2.65 2.77 0.00 0.00 6.46 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 0.00 146 D 8.13 4.37 0.00 2.87 2.72 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 0.00 147 I 7.50 3.52 1.58 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.45 0.49 0.00 0.00 148 F 7.84 3.96 0.00 3.38 3.22 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 0.00 149 N 8.41 4.39 0.00 3.28 3.01 0.00 0.00 6.81 7.03 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 0.00 150 V 8.14 3.55 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 0.96 0.00 0.00 0.94 0.00 0.00 151 A 7.61 3.61 -0.05 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 0.00 152 K 8.15 4.08 0.00 2.10 2.02 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.51 7.81 153 A 8.02 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 S 7.96 4.07 0.00 4.00 4.03 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 0.00 0.00 0.00 155 I 7.88 3.56 1.88 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.83 0.71 0.00 0.00 156 E 8.41 4.06 0.00 2.05 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 0.00 2.34 2.46 0.00 157 K 8.02 4.22 0.00 2.06 1.98 0.00 1.75 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.80 1.86 7.81 158 H 8.20 4.42 0.00 3.44 3.42 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 7.93 3.87 2.18 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.04 1.00 0.00 0.00 160 W 8.39 4.35 0.00 3.43 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 0.00 161 M 7.68 3.36 0.00 1.96 2.05 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 2.17 1.18 0.00 162 L 8.40 4.00 0.00 1.88 1.63 0.85 0.64 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 0.00 163 Q 8.38 3.98 0.00 2.35 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.74 0.00 164 A 8.21 4.05 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 0.00 165 E 8.17 4.03 0.00 2.19 2.18 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 2.22 2.38 0.00 166 L 7.60 4.41 0.00 1.78 1.63 0.81 0.89 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 0.00 167 G 7.97 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 0.00 168 Q 8.30 4.62 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 169 A 8.28 4.47 1.28 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 0.00 0.00 0.00 170 P 0.00 4.41 0.00 2.12 2.28 0.00 3.90 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 2.10 2.44 0.00 171 K 8.10 3.84 0.00 1.90 1.87 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.61 7.81 172 L 7.90 4.18 0.00 1.63 1.58 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.