NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.2991 0.0000 0.0000 62.5581 33.7081 174.6671 2 H 5.0078 7.9880 122.9075 54.0150 32.9206 171.3091 3 F 5.5927 9.0816 124.2331 55.6409 43.4779 173.2905 4 L 4.4376 8.2836 123.5856 53.5277 44.0001 175.2627 5 I 4.6949 8.3588 128.1576 60.0483 38.5866 174.2324 6 L 5.1857 9.3230 130.7356 53.2282 44.4885 174.7428 7 N 5.5126 9.3609 124.0141 51.7734 42.1281 174.9393 8 G 4.2531 9.0838 114.1670 43.6028 0.0000 170.9828 9 P 5.0558 0.0000 0.0000 63.7112 31.8424 176.3923 10 N 4.3205 9.1114 115.7676 53.9119 36.8117 176.3123 11 V 3.7417 7.5788 118.6437 65.3126 31.7967 177.6023 12 N 4.4170 8.0589 115.9736 55.1154 37.3151 175.7072 13 R 4.2503 7.6710 116.5514 55.8937 30.5615 176.4659 14 L 3.7842 7.4922 119.9048 56.6114 42.0087 177.4780 15 G 3.8449 8.6575 109.9175 44.9043 0.0000 172.5556 *25 Q 4.1707 8.1082 116.7677 55.9824 29.7739 175.7720 26 T 4.7529 8.3174 113.1208 59.4507 72.0663 175.8000 27 L 3.8790 8.1570 121.5274 58.5320 41.9809 178.5905 28 T 3.7015 7.8302 115.1675 66.6969 68.3985 175.7897 29 D 4.3076 8.4015 120.9500 57.5547 40.8999 178.9672 30 I 3.6258 7.6734 119.8613 64.5942 37.0546 178.3602 31 E 3.3424 8.0793 119.3952 59.3092 29.0539 179.5655 32 T 3.7705 7.8708 115.7947 66.8014 68.4887 176.2227 33 D 4.4044 8.0422 120.5903 57.5923 40.8432 179.0938 34 L 4.2213 8.3055 121.8555 58.3215 41.5433 180.1351 *35 F 4.2774 8.5581 121.0536 62.0485 37.9156 180.0810 36 Q 4.2137 8.3636 118.7918 58.6854 28.5430 178.5009 37 F 4.2032 8.6207 121.6661 61.2911 39.5416 176.7288 38 A 3.9710 8.6171 120.6803 55.4066 18.0553 179.2008 39 E 3.8697 8.4062 116.7063 59.8208 29.4069 179.6751 40 A 3.8775 7.8512 118.9326 54.5153 18.4263 178.6280 41 L 4.1513 7.2458 114.6185 53.8897 42.5045 176.1150 42 H 4.1294 7.7595 115.0346 57.1208 26.2376 174.2328 43 I 4.7710 7.5712 110.2233 59.3255 41.1651 175.3188 44 Q 4.7011 8.8843 122.0441 54.3992 31.2658 174.7935 45 L 5.2881 8.2821 120.4882 53.3342 45.7269 175.9852 46 T 4.7383 8.3826 118.1837 61.7950 72.1607 172.8503 47 F 5.3186 8.9069 123.6390 55.8781 41.6385 174.9307 48 F 5.0394 9.0149 124.2966 56.9911 43.0313 172.6760 49 Q 5.3745 7.8325 125.9754 53.5483 31.5116 174.0303 50 S 4.4838 8.0155 117.4391 57.5726 65.9837 174.3272 51 N 4.7026 8.9447 121.1083 53.6674 39.1225 174.1176 52 H 5.0397 8.1587 117.6460 53.9100 30.5639 175.2865 53 E 4.0238 9.0851 125.3981 59.5299 29.4012 179.1657 54 G 3.6740 8.1085 105.0880 47.8939 0.0000 175.2726 55 D 4.4631 8.0289 121.3352 57.1827 40.8347 178.8500 56 L 4.1587 7.9535 119.1333 57.6997 41.7280 179.3841 57 I 3.5895 7.7110 119.6249 64.5197 37.0977 177.9025 58 D 4.3543 8.2042 119.5138 57.7237 40.4913 179.1976 59 A 3.9945 7.8158 119.5568 54.9694 18.6086 179.5299 60 I 3.8939 7.6863 118.6550 64.7842 36.9958 178.2358 61 H 4.2912 7.9817 115.9972 59.0219 28.5405 177.3534 62 E 4.1870 8.3773 119.0648 58.1790 29.3213 178.9152 63 A 4.0847 7.8536 121.2437 54.9869 18.1568 178.8166 64 E 3.8271 8.3407 117.9223 59.3893 29.6415 177.9040 65 E 4.6338 7.5639 114.8795 56.0332 29.6010 176.1166 66 Q 4.0881 7.6779 118.1806 56.1737 32.7198 173.6813 67 Y 4.9212 7.9138 113.9576 56.2550 40.8866 175.1440 68 S 4.8136 8.7470 113.9351 57.9091 63.9748 173.9515 69 G 4.2250 7.7234 106.3620 46.3556 0.0000 172.4778 70 I 5.1253 8.1921 120.4697 59.2800 41.7553 174.9256 71 V 4.4044 9.0420 126.6050 61.3326 33.3056 173.8544 72 L 5.0147 8.8839 131.4021 53.3942 44.5235 174.6203 73 N 5.0995 9.1964 125.6490 50.2205 39.6157 172.4681 74 P 4.5115 0.0000 0.0000 61.7418 33.1162 178.2035 75 G 3.8488 8.4481 108.2650 46.4043 0.0000 175.1936 76 A 4.3334 8.4986 121.6175 54.1038 18.9000 179.5285 77 L 3.3970 7.6322 116.4451 56.8094 42.0978 179.1948 78 S 3.9298 7.8641 113.8238 61.6704 62.1535 175.6952 79 H 4.7569 8.1113 114.2797 56.7425 28.7589 175.4423 80 Y 4.6270 7.3833 113.0786 55.5240 40.3660 176.2670 81 S 4.2646 7.6798 116.9592 57.2862 60.9189 173.4223 82 Y 4.2938 8.0445 124.7479 60.0469 37.8087 177.3537 83 A 4.0847 8.0740 121.8905 55.2407 18.5593 179.5482 84 I 3.7079 7.6686 117.9611 64.0899 37.1515 178.3826 85 R 3.9097 7.8093 119.4072 59.9184 29.9354 178.4307 86 D 4.4452 8.1757 117.7734 56.9525 40.4832 178.8364 87 A 4.0155 7.4985 121.0112 55.1647 18.5921 179.2064 88 V 3.7207 7.8074 116.7959 66.6844 31.3185 178.5298 89 S 4.2308 7.9364 113.2787 60.9749 62.6733 175.7610 90 S 4.6096 7.7272 115.1431 57.5149 63.2578 173.5629 91 I 4.8734 7.1160 114.6795 58.3932 40.1317 175.4948 92 S 4.5602 9.2000 115.2163 58.6547 63.7061 174.6383 93 L 4.4964 7.6579 121.2585 53.7757 42.7134 174.7981 94 P 4.5356 0.0000 0.0000 62.8711 32.8092 175.1801 95 V 4.9562 8.4864 122.6225 60.9821 35.1022 173.9332 96 V 4.7141 8.3860 126.3321 61.0127 34.5121 173.6982 97 E 4.8004 8.7730 129.2769 55.3310 30.8218 174.9509 98 V 4.7632 8.7015 126.4539 61.3509 34.9262 173.7476 99 H 4.8279 8.7615 123.8017 54.1262 32.1693 174.5943 100 L 4.0051 8.6369 123.0135 57.7771 42.5038 177.9280 101 S 4.5135 7.8208 111.1502 57.0285 64.4557 173.7017 102 N 4.4665 8.2725 119.4283 52.5034 37.6803 175.1659 103 L 3.7776 8.0303 126.3855 57.7445 41.9346 179.6249 104 Y 3.7546 6.8771 114.9769 60.6119 37.7729 177.0992 105 A 4.4110 8.0092 120.2490 52.3715 19.4240 177.0560 106 R 4.8273 7.9191 116.7109 54.3280 32.7712 175.6877 107 E 3.9759 8.3826 117.5543 57.3128 30.2697 177.7039 108 E 3.4227 8.6663 122.1113 59.0389 29.8547 179.1426 109 F 4.3021 7.8456 112.4573 59.2531 38.1615 176.0006 110 R 3.3762 6.7045 118.5474 56.8229 29.7968 176.3763 111 H 4.8517 7.8696 115.1985 55.6791 28.8936 175.0037 112 Q 4.6167 7.7157 117.7586 54.2633 31.3901 173.6403 113 S 4.8914 8.5724 115.1836 56.6641 63.8815 174.3643 114 V 3.9024 8.4319 121.0171 62.9624 31.8501 177.1332 115 I 4.0762 7.5831 120.3250 62.8569 38.1525 177.7205 116 A 4.0407 8.2693 123.6609 54.5835 18.4490 177.6422 117 P 4.2597 0.0000 0.0000 65.4118 31.3788 177.4794 118 V 4.0760 7.6667 107.8797 61.0352 32.0952 175.6136 119 A 4.5445 7.3739 123.5584 50.5428 20.4473 177.7045 120 K 4.0933 8.7006 118.6000 58.9703 32.5619 177.9213 121 G 3.9052 7.2114 103.6961 46.3717 0.0000 171.3651 122 Q 5.1384 8.5707 119.3001 54.4725 32.6752 174.5351 123 I 4.5754 9.0329 125.4028 59.4805 40.3349 174.7156 124 V 4.6948 8.4245 126.0793 62.4301 34.1518 175.6425 125 G 3.9365 8.9585 115.8736 45.4707 0.0000 173.6595 126 L 4.4132 7.6262 117.9774 53.9971 42.2953 178.3186 127 G 3.8056 8.0293 109.5195 44.9060 0.0000 174.5011 128 A 4.1918 8.4484 120.0676 54.8313 18.8750 179.6831 129 E 4.0116 8.3819 116.5061 59.3098 29.4280 178.8226 130 G 3.6091 8.2871 106.2904 48.1442 0.0000 175.1983 131 Y 4.0791 7.9376 118.7171 60.6870 37.7530 178.8514 132 K 3.7120 7.8991 118.9508 59.3156 32.2122 179.1656 133 L 3.9983 8.0252 119.1201 57.8195 41.4496 179.5367 134 A 4.0069 8.1978 120.7259 55.0338 18.3039 179.7520 135 V 3.3951 8.0012 116.8006 66.3274 31.6547 178.3844 136 R 4.0489 8.4912 118.0513 59.5104 29.7806 178.4711 137 Y 4.0365 8.1639 119.2261 60.7175 38.6047 177.9534 138 L 3.7181 7.9573 118.9908 57.7121 41.6361 179.2685 139 L 4.3300 7.7317 118.4989 57.6394 41.6746 179.3588 140 S 4.2146 7.7682 113.3015 60.9924 62.9229 174.8483 141 Q 4.1041 7.2058 125.6661 56.0528 28.5866 175.6396 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 P 0.00 4.30 0.00 1.71 1.85 0.00 3.38 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 1.97 2.04 0.00 2 H 7.99 5.01 0.00 3.08 3.05 0.00 5.54 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.08 5.59 0.00 2.99 2.84 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 4 L 8.28 4.44 0.00 0.90 1.22 0.83 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.36 4.69 1.50 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 0.44 0.66 0.98 0.00 0.00 6 L 9.32 5.19 0.00 1.68 1.54 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 N 9.36 5.51 0.00 2.62 2.69 0.00 0.00 6.42 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 8 G 9.08 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 0.00 0.00 0.00 0.00 9 P 0.00 5.06 0.00 2.20 2.22 0.00 3.66 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 10 N 9.11 4.32 0.00 2.96 2.99 0.00 0.00 6.72 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 11 V 7.58 3.74 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 1.04 0.00 0.00 1.01 0.00 0.00 12 N 8.06 4.42 0.00 2.84 3.04 0.00 0.00 6.04 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 13 R 7.67 4.25 0.00 1.94 2.00 0.00 3.34 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 14 L 7.49 3.78 0.00 1.80 1.63 0.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.66 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 *25 Q 8.11 4.17 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 26 T 8.32 4.75 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 1.19 0.00 0.00 27 L 8.16 3.88 0.00 1.87 1.65 0.86 0.75 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 28 T 7.83 3.70 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 29 D 8.40 4.31 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 30 I 7.67 3.63 1.92 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 1.52 0.60 0.64 0.00 0.00 31 E 8.08 3.34 0.00 1.49 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 1.58 2.19 0.00 32 T 7.87 3.77 4.40 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 1.25 0.00 0.00 33 D 8.04 4.40 0.00 2.92 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 34 L 8.31 4.22 0.00 1.99 2.01 0.88 1.04 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 *35 F 8.56 4.28 0.00 2.27 2.30 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 36 Q 8.36 4.21 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 37 F 8.62 4.20 0.00 3.21 3.32 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 38 A 8.62 3.97 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.41 3.87 0.00 2.31 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 2.33 2.22 0.00 40 A 7.85 3.88 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.25 4.15 0.00 1.46 1.56 0.75 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 42 H 7.76 4.13 0.00 3.24 3.35 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.57 4.77 1.88 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 1.37 0.67 0.96 0.00 0.00 44 Q 8.88 4.70 0.00 1.53 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 45 L 8.28 5.29 0.00 1.37 1.00 1.08 0.97 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 46 T 8.38 4.74 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 1.33 0.00 0.00 47 F 8.91 5.32 0.00 2.91 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 48 F 9.01 5.04 0.00 3.12 2.86 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 49 Q 7.83 5.37 0.00 1.94 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.47 0.00 0.00 0.00 0.00 0.00 2.29 2.03 0.00 50 S 8.02 4.48 0.00 3.57 3.56 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 51 N 8.94 4.70 0.00 2.78 2.77 0.00 0.00 6.87 8.16 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 52 H 8.16 5.04 0.00 3.38 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.09 4.02 0.00 2.00 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 2.36 2.32 0.00 54 G 8.11 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.03 4.46 0.00 2.99 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.95 4.16 0.00 1.71 1.76 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.71 3.59 1.97 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 1.49 0.96 0.75 0.00 0.00 58 D 8.20 4.35 0.00 2.85 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 59 A 7.82 3.99 1.32 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 60 I 7.69 3.89 1.98 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 1.54 1.06 0.96 0.00 0.00 61 H 7.98 4.29 0.00 3.28 3.36 0.00 5.67 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 62 E 8.38 4.19 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 63 A 7.85 4.08 1.60 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 64 E 8.34 3.83 0.00 2.09 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 2.39 2.44 0.00 65 E 7.56 4.63 0.00 1.92 1.87 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 2.25 2.20 0.00 66 Q 7.68 4.09 0.00 1.57 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.68 0.00 67 Y 7.91 4.92 0.00 3.00 2.99 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 68 S 8.75 4.81 0.00 3.97 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 69 G 7.72 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 70 I 8.19 5.13 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.70 0.95 0.00 0.00 71 V 9.04 4.40 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 1.01 0.00 0.00 0.90 0.00 0.00 72 L 8.88 5.01 0.00 1.75 1.45 0.99 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.20 5.10 0.00 2.70 2.96 0.00 0.00 6.83 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 74 P 0.00 4.51 0.00 2.18 2.21 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 75 G 8.45 3.85 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 0.00 0.00 0.00 76 A 8.50 4.33 1.53 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 0.00 0.00 77 L 7.63 3.40 0.00 1.63 1.42 0.83 0.24 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 S 7.86 3.93 0.00 3.91 3.47 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 0.00 79 H 8.11 4.76 0.00 3.52 3.62 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.38 4.63 0.00 2.91 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 81 S 7.68 4.26 0.00 3.43 3.62 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 82 Y 8.04 4.29 0.00 3.16 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 83 A 8.07 4.08 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 84 I 7.67 3.71 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.84 0.88 0.00 0.00 85 R 7.81 3.91 0.00 1.91 2.28 0.00 3.46 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 86 D 8.18 4.45 0.00 2.82 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 87 A 7.50 4.02 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 88 V 7.81 3.72 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 1.04 0.00 0.00 0.94 0.00 0.00 89 S 7.94 4.23 0.00 4.06 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 90 S 7.73 4.61 0.00 4.04 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 0.00 91 I 7.12 4.87 2.05 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 1.15 1.19 1.01 0.00 0.00 92 S 9.20 4.56 0.00 3.99 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 93 L 7.66 4.50 0.00 1.62 1.72 1.13 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.54 0.00 2.20 2.25 0.00 3.82 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 2.11 2.00 0.00 95 V 8.49 4.96 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 1.01 0.00 0.00 1.01 0.00 0.00 96 V 8.39 4.71 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 0.83 0.00 0.00 0.90 0.00 0.00 97 E 8.77 4.80 0.00 2.06 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 2.16 2.27 0.00 98 V 8.70 4.76 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.74 0.00 0.00 99 H 8.76 4.83 0.00 2.96 3.02 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.64 4.01 0.00 1.63 1.69 0.93 0.94 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 0.00 101 S 7.82 4.51 0.00 3.91 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 0.00 102 N 8.27 4.47 0.00 2.72 2.74 0.00 0.00 6.87 6.66 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 0.00 103 L 8.03 3.78 0.00 0.99 1.46 0.47 0.68 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 0.00 104 Y 6.88 3.75 0.00 3.01 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 0.00 105 A 8.01 4.41 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 0.00 106 R 7.92 4.83 0.00 1.68 1.76 0.00 3.12 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 107 E 8.38 3.98 0.00 1.48 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 2.50 2.36 0.00 108 E 8.67 3.42 0.00 1.91 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 2.33 2.22 0.00 109 F 7.85 4.30 0.00 3.10 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 0.00 110 R 6.70 3.38 0.00 1.51 1.59 0.00 2.81 0.00 0.00 2.98 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 111 H 7.87 4.85 0.00 3.25 3.44 0.00 5.62 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.72 4.62 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 113 S 8.57 4.89 0.00 3.83 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 0.00 114 V 8.43 3.90 1.80 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 0.36 0.00 0.00 0.53 0.00 0.00 115 I 7.58 4.08 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.79 0.90 0.00 0.00 116 A 8.27 4.04 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 0.00 117 P 0.00 4.26 0.00 2.10 2.18 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 118 V 7.67 4.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.06 0.00 0.00 119 A 7.37 4.54 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 0.00 120 K 8.70 4.09 0.00 1.83 1.87 0.00 2.03 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.72 7.81 121 G 7.21 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 0.00 122 Q 8.57 5.14 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.63 0.00 0.00 0.00 0.00 0.00 2.23 2.51 0.00 123 I 9.03 4.58 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.59 0.84 0.00 0.00 124 V 8.42 4.69 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 0.57 0.00 0.00 0.85 0.00 0.00 125 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 0.00 126 L 7.63 4.41 0.00 1.59 1.65 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.03 3.81 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 0.00 0.00 0.00 128 A 8.45 4.19 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 0.00 129 E 8.38 4.01 0.00 2.06 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 0.00 2.35 2.40 0.00 130 G 8.29 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 0.00 0.00 0.00 131 Y 7.94 4.08 0.00 3.15 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.90 3.71 0.00 1.71 1.08 0.00 1.38 0.00 0.00 1.08 0.00 0.00 2.68 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 1.17 7.81 133 L 8.03 4.00 0.00 1.81 1.72 0.90 0.59 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 0.00 134 A 8.20 4.01 1.36 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 0.00 0.00 0.00 135 V 8.00 3.40 2.45 0.00 0.00 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 0.00 0.00 1.13 0.00 0.00 136 R 8.49 4.05 0.00 2.19 2.08 0.00 3.33 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.16 0.00 137 Y 8.16 4.04 0.00 3.07 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 0.00 138 L 7.96 3.72 0.00 1.44 0.85 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.73 4.33 0.00 1.98 1.78 0.98 1.07 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 0.00 140 S 7.77 4.21 0.00 3.99 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 0.00 141 Q 7.21 4.10 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.58 0.00 0.00 0.00 0.00 0.00 1.67 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.