NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3623 0.0000 0.0000 62.4483 33.0138 175.5593 3 T 4.1320 8.0891 112.6814 61.9266 69.3167 172.4309 4 I 3.2840 8.7262 123.0632 64.4344 37.5377 177.0431 5 N 4.1802 8.1139 117.5233 57.3274 39.3725 176.9121 6 Q 3.9954 8.1374 118.5660 59.2194 28.7959 178.9476 7 L 4.0089 8.5764 120.2398 57.5556 41.3502 179.5620 8 V 3.5984 8.1095 118.1886 67.0215 31.5305 177.5870 9 R 3.9446 8.2206 117.1572 58.9259 29.6954 178.6673 10 K 4.1495 8.3798 123.0902 56.9548 32.9132 178.5349 11 G 3.8852 7.8823 109.2732 44.4467 0.0000 172.6921 12 R 4.1756 8.2103 117.4614 55.2816 30.6504 176.6673 13 E 4.1041 8.5754 123.8868 55.7400 30.3662 176.6011 14 K 4.1085 8.7915 126.5247 55.7203 31.8562 180.2923 15 V 2.2957 8.0403 114.6057 58.3240 33.1269 176.5385 16 R 4.0399 9.1664 123.2678 57.2156 31.0994 174.0872 17 K 4.5292 8.2881 123.9913 54.8248 34.2882 175.8350 18 K 4.2029 8.4855 123.5642 55.1271 32.9189 176.7119 19 S 4.0059 8.7192 117.8298 59.0684 62.4245 174.0210 20 K 4.1424 8.5870 127.3295 57.0097 32.2748 177.0909 21 V 4.1629 7.4069 112.2483 61.0843 32.9201 170.8354 22 P 4.5286 0.0000 0.0000 63.5805 28.7701 177.6351 23 A 4.5560 7.7628 118.5776 53.2632 18.7818 175.2083 24 L 3.6385 7.9559 123.2730 55.7821 42.0580 174.5155 25 K 3.9325 9.6302 120.3215 57.3938 30.6803 174.1871 26 G 4.0638 8.3987 101.3130 45.4127 0.0000 174.1054 27 A 4.1749 8.2302 121.6058 51.3788 18.8008 177.2054 28 P 4.1009 0.0000 0.0000 64.4673 31.9820 175.8947 29 F 5.0186 6.7452 113.7665 59.1987 42.8413 173.0656 30 R 4.5306 8.4229 116.6489 56.6918 33.2175 173.9188 31 R 4.8739 7.6911 126.3826 54.9656 32.0169 175.1790 32 G 4.6809 8.5151 111.4778 45.0266 0.0000 170.6488 33 V 4.9338 9.0762 119.6194 61.0196 34.8281 174.2957 34 C 4.8035 8.6463 125.2655 60.0446 28.5961 173.8307 35 T 4.0963 9.0308 116.0935 63.2407 68.9857 174.8308 36 V 4.4129 7.5943 122.6748 60.0226 34.6258 174.0814 37 V 4.6728 8.4010 126.0627 60.3657 32.0677 174.3058 38 R 4.6854 8.2273 132.6147 55.5333 33.0579 176.1113 39 T 4.4425 8.1695 107.5307 61.5238 69.3605 171.2471 40 V 4.5774 7.7986 120.2849 60.1444 37.0651 173.8396 41 T 4.6385 8.2655 116.3876 59.8956 68.1032 172.6250 42 P 4.6344 0.0000 0.0000 62.6692 32.7327 175.3388 43 K 4.4494 8.7720 121.2729 56.3890 33.5915 175.2186 44 K 3.7235 8.2838 117.4986 57.6036 31.5507 173.3038 45 P 4.7367 0.0000 0.0000 63.5943 31.5230 175.2940 46 N 4.8243 7.5719 116.2732 52.7647 39.7277 174.6387 47 S 4.5257 8.0113 114.1965 56.5522 65.7581 173.6100 48 A 4.3447 7.7300 126.9599 53.0845 23.2538 175.6986 49 L 4.9696 8.0852 108.7408 52.2715 42.6157 175.4824 50 R 3.9912 7.7567 119.6183 56.1389 31.6680 176.5184 51 K 4.2888 8.6470 123.8784 56.0591 33.3794 176.2326 52 V 4.6417 8.0957 122.1444 61.4366 35.7594 173.2558 53 A 5.1404 9.3401 124.2180 50.2502 23.3890 175.0488 54 K 4.7207 9.0619 119.3317 55.2241 34.0212 176.2769 55 V 4.7451 8.8453 125.4829 60.8624 34.5257 174.3688 56 R 4.5423 8.7952 129.5725 56.3241 31.4332 176.1785 57 L 4.7902 8.4438 126.4267 53.3210 44.3139 177.1773 58 T 4.1809 8.3173 107.6717 63.2100 68.7415 175.2133 59 S 4.5515 8.0288 118.0275 58.3110 63.3223 174.9345 60 G 4.2645 8.1527 111.9086 46.0030 0.0000 175.2920 61 Y 4.2764 7.6761 114.7386 59.4040 37.2457 175.2353 62 E 5.8443 8.3269 128.9034 57.4285 32.6012 177.9467 63 V 4.7030 8.0001 120.2231 59.5172 36.7779 174.8349 64 T 4.6155 8.6390 114.0219 62.0414 69.8104 173.2164 65 A 5.0498 10.6000 127.7387 50.1847 22.8827 173.9072 66 Y 4.9591 8.6077 120.2671 56.2522 41.2530 174.9005 67 I 4.4987 8.6537 127.1203 59.2553 38.3663 173.9047 68 P 4.4747 0.0000 0.0000 61.8133 32.4142 176.1970 69 G 3.7726 8.8278 105.6049 44.9662 0.0000 173.2977 70 E 4.2528 7.9444 119.2098 54.9827 28.3633 175.3324 71 G 4.0932 8.5897 110.7756 44.0537 0.0000 170.5874 72 H 4.7502 7.8823 116.0728 54.9807 30.1539 172.6411 73 N 3.9815 8.8974 120.7915 51.3706 36.8246 175.5521 74 L 3.4405 8.4422 115.1132 55.4458 40.6071 173.4110 75 Q 4.7745 8.0596 125.3090 54.5979 31.5102 173.8760 76 E 4.4178 8.4893 120.0237 56.9866 30.7920 175.8484 77 H 4.4846 9.1283 123.3193 56.2614 28.0736 175.7456 78 S 4.3840 7.9702 114.6236 58.2901 64.5607 173.9059 79 V 4.4284 8.8655 122.3740 61.6205 32.9888 174.4354 80 V 4.8748 8.2909 128.5825 61.8904 35.2269 173.2766 81 L 5.1889 8.6124 118.9720 53.7329 46.0829 176.0299 82 I 5.0429 8.4666 123.3574 59.8357 39.3369 176.1743 83 R 4.2646 10.6400 126.3930 55.3914 31.9333 173.4742 84 G 3.4721 9.3165 111.0651 45.0382 0.0000 172.6096 85 G 3.9373 8.0835 112.9424 43.9057 0.0000 170.4642 86 R 3.9973 8.2512 122.2083 56.4743 29.7336 177.2333 87 V 4.2134 7.7338 120.1056 61.3653 31.0541 176.8440 88 K 4.2575 7.5096 123.8964 58.1854 34.1394 176.4376 89 D 4.4809 8.0871 118.5012 56.6323 39.9902 176.9194 90 L 4.9095 8.2584 119.8117 51.9733 43.1830 174.0584 91 P 4.5105 0.0000 0.0000 63.2553 32.0815 175.1760 92 G 4.1989 9.2108 115.0513 46.4065 0.0000 174.4079 93 V 4.0406 7.3717 123.4093 62.7899 30.3975 175.4115 94 R 4.5985 8.7802 124.6957 55.8248 31.9528 175.0639 95 Y 4.8713 7.8389 117.2893 56.7178 41.5788 174.2866 96 H 4.8955 9.1399 121.6610 55.3245 30.8528 174.3211 97 I 5.3387 8.0280 122.5987 59.3620 38.2942 175.9935 98 V 3.7406 8.5225 127.2899 62.5588 31.1851 175.9344 99 R 3.9774 8.6596 127.0809 56.7921 31.0866 176.8052 100 G 4.4756 8.5768 106.3820 45.0193 0.0000 174.5533 101 V 3.9951 7.1138 116.1817 62.7823 35.4024 172.7770 102 Y 4.0712 8.7412 128.2619 58.1894 35.3467 169.0547 103 D 4.8033 6.2280 127.4398 54.9767 44.0388 177.0211 104 A 4.1686 7.7614 123.1414 51.6646 18.6628 176.3873 105 A 4.4231 9.4251 128.0392 51.4208 18.6893 177.5338 106 G 4.1040 8.5630 110.7165 45.9425 0.0000 172.9373 107 V 3.7476 8.1568 123.4162 62.9667 32.1562 175.7624 108 K 4.1214 8.7316 129.9113 57.5242 33.0674 177.8102 109 D 4.5116 9.0956 123.5312 54.7315 39.5518 174.3535 110 R 4.0001 7.5155 119.0557 56.6166 30.6254 175.8873 111 K 4.5649 8.3429 120.1609 57.8886 36.2792 178.1455 112 K 4.6609 7.6666 119.1738 55.8440 30.9398 180.2855 113 S 4.5378 8.9739 123.0292 60.2999 59.8613 174.6818 114 R 4.4184 7.8095 118.2641 57.2533 30.6113 179.0784 115 S 4.0583 7.6789 113.2322 61.2784 62.7680 174.8634 116 K 3.9445 7.5708 119.1102 57.3872 32.8087 177.4935 117 Y 3.7582 8.1927 118.5410 56.7399 36.8781 166.9960 118 G 3.7895 7.9774 111.1648 45.8140 0.0000 172.1896 119 T 4.8072 8.0520 119.4700 61.5369 72.8937 174.1383 120 K 4.2402 8.5324 124.7427 54.9605 32.9224 176.6958 121 K 3.7502 8.7911 124.3978 56.1150 32.3784 174.3195 122 P 4.4407 0.0000 0.0000 62.1531 31.7811 176.0511 123 K 4.1813 8.2897 120.3851 56.3092 32.7315 178.2088 124 E 4.1041 8.7108 119.9603 56.4094 28.9353 177.0581 125 A 3.4982 8.8190 119.0091 53.2018 16.4560 178.3248 *126 A 4.1172 7.8449 127.6128 52.8864 18.9464 177.2096 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 2 P 0.00 4.36 0.00 2.06 2.09 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 3 T 8.09 4.13 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 4 I 8.73 3.28 1.87 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 1.52 0.98 0.91 0.00 0.00 5 N 8.11 4.18 0.00 2.75 2.84 0.00 0.00 6.93 7.12 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 6 Q 8.14 4.00 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 7 L 8.58 4.01 0.00 1.88 1.72 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.11 3.60 2.26 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 0.83 0.00 0.00 0.99 0.00 0.00 9 R 8.22 3.94 0.00 1.91 1.82 0.00 3.21 0.00 0.00 3.22 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 10 K 8.38 4.15 0.00 1.72 1.87 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.49 7.81 11 G 7.88 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.21 4.18 0.00 1.81 1.88 0.00 3.37 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 13 E 8.58 4.10 0.00 1.93 1.84 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 2.29 2.29 0.00 14 K 8.79 4.11 0.00 1.75 1.73 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.39 7.81 15 V 8.04 2.30 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 0.70 0.00 0.00 0.93 0.00 0.00 16 R 9.17 4.04 0.00 1.93 2.30 0.00 3.20 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 17 K 8.29 4.53 0.00 1.87 1.77 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.41 7.81 18 K 8.49 4.20 0.00 1.75 1.79 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.48 7.81 19 S 8.72 4.01 0.00 3.81 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 20 K 8.59 4.14 0.00 1.72 1.74 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.40 7.81 21 V 7.41 4.16 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 0.50 0.00 0.00 0.14 0.00 0.00 22 P 0.00 4.53 0.00 2.16 2.29 0.00 3.79 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 2.20 2.06 0.00 23 A 7.76 4.56 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 24 L 7.96 3.64 0.00 1.80 1.63 0.34 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.63 3.93 0.00 1.78 1.82 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.35 1.42 7.81 26 G 8.40 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.23 4.17 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 28 P 0.00 4.10 0.00 1.79 1.82 0.00 3.75 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 2.05 2.03 0.00 29 F 6.75 5.02 0.00 2.95 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 30 R 8.42 4.53 0.00 1.97 1.80 0.00 3.21 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 31 R 7.69 4.87 0.00 2.01 1.78 0.00 2.95 0.00 0.00 2.80 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.35 0.00 32 G 8.52 4.68 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 33 V 9.08 4.93 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 1.09 0.00 0.00 0.92 0.00 0.00 34 C 8.65 4.80 0.00 3.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 9.03 4.10 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 1.21 0.00 0.00 36 V 7.59 4.41 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 0.99 0.00 0.00 0.93 0.00 0.00 37 V 8.40 4.67 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 0.91 0.00 0.00 1.02 0.00 0.00 38 R 8.23 4.69 0.00 1.88 1.18 0.00 3.18 0.00 0.00 3.09 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 39 T 8.17 4.44 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 40 V 7.80 4.58 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 0.76 0.00 0.00 0.87 0.00 0.00 41 T 8.27 4.64 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 1.20 0.00 0.00 42 P 0.00 4.63 0.00 2.32 2.05 0.00 3.90 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.94 0.00 43 K 8.77 4.45 0.00 1.82 1.74 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.40 7.81 44 K 8.28 3.72 0.00 1.86 1.51 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.36 7.81 45 P 0.00 4.74 0.00 2.17 2.13 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 46 N 7.57 4.82 0.00 2.82 2.84 0.00 0.00 6.56 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.01 4.53 0.00 3.76 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 48 A 7.73 4.34 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 49 L 8.09 4.97 0.00 1.57 1.54 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.76 3.99 0.00 1.61 1.43 0.00 3.17 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 51 K 8.65 4.29 0.00 1.71 1.62 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.48 7.81 52 V 8.10 4.64 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 0.97 0.00 0.00 0.66 0.00 0.00 53 A 9.34 5.14 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 54 K 9.06 4.72 0.00 1.81 1.75 0.00 1.60 0.00 0.00 1.79 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.37 7.81 55 V 8.85 4.75 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 1.05 0.00 0.00 0.97 0.00 0.00 56 R 8.80 4.54 0.00 1.96 1.79 0.00 3.13 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.95 0.00 57 L 8.44 4.79 0.00 1.65 1.62 0.92 0.65 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 58 T 8.32 4.18 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 1.27 0.00 0.00 59 S 8.03 4.55 0.00 3.92 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 60 G 8.15 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 0.00 0.00 0.00 0.00 61 Y 7.68 4.28 0.00 2.84 2.87 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 62 E 8.33 5.84 0.00 2.01 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 2.04 2.18 0.00 63 V 8.00 4.70 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 0.62 0.00 0.00 0.51 0.00 0.00 64 T 8.64 4.62 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 65 A 10.60 5.05 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 66 Y 8.61 4.96 0.00 2.98 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 67 I 8.65 4.50 2.06 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 1.33 0.89 1.00 0.00 0.00 68 P 0.00 4.47 0.00 2.01 1.72 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.14 0.00 69 G 8.83 3.77 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 0.00 0.00 0.00 70 E 7.94 4.25 0.00 1.82 1.83 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 2.18 2.33 0.00 71 G 8.59 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 0.00 0.00 0.00 72 H 7.88 4.75 0.00 3.36 3.33 0.00 5.53 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.90 3.98 0.00 2.83 2.74 0.00 0.00 6.40 7.79 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 74 L 8.44 3.44 0.00 1.89 1.76 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.06 4.77 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 76 E 8.49 4.42 0.00 1.92 1.83 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 2.14 2.51 0.00 77 H 9.13 4.48 0.00 3.28 3.64 0.00 5.77 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.97 4.38 0.00 3.82 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.87 4.43 2.32 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 0.59 0.00 0.00 0.94 0.00 0.00 80 V 8.29 4.87 2.17 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 0.97 0.00 0.00 1.01 0.00 0.00 81 L 8.61 5.19 0.00 1.72 1.45 1.19 1.18 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 82 I 8.47 5.04 2.02 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.01 1.27 0.00 0.00 83 R 10.64 4.26 0.00 1.96 2.13 0.00 3.36 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 84 G 9.32 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 0.00 0.00 0.00 85 G 8.08 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 86 R 8.25 4.00 0.00 1.91 1.95 0.00 3.04 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 87 V 7.73 4.21 2.19 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 1.29 0.00 0.00 1.19 0.00 0.00 88 K 7.51 4.26 0.00 1.78 1.71 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.60 7.81 89 D 8.09 4.48 0.00 2.86 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 90 L 8.26 4.91 0.00 1.60 1.51 0.61 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.51 0.00 2.04 2.00 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 92 G 9.21 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 93 V 7.37 4.04 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 1.38 0.00 0.00 0.91 0.00 0.00 94 R 8.78 4.60 0.00 2.00 1.60 0.00 3.22 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 95 Y 7.84 4.87 0.00 2.91 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 96 H 9.14 4.90 0.00 3.13 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.03 5.34 2.11 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 1.35 1.08 0.97 0.00 0.00 98 V 8.52 3.74 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 0.60 0.00 0.00 0.95 0.00 0.00 99 R 8.66 3.98 0.00 1.82 1.97 0.00 3.64 0.00 0.00 3.53 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.61 0.00 100 G 8.58 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.11 4.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.82 0.00 0.00 102 Y 8.74 4.07 0.00 3.24 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 0.00 103 D 6.23 4.80 0.00 2.84 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 0.00 104 A 7.76 4.17 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 0.00 105 A 9.43 4.42 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 0.00 106 G 8.56 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 0.00 0.00 0.00 107 V 8.16 3.75 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 0.63 0.00 0.00 1.03 0.00 0.00 108 K 8.73 4.12 0.00 1.88 1.65 0.00 1.90 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.47 7.81 109 D 9.10 4.51 0.00 2.85 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 0.00 110 R 7.52 4.00 0.00 1.65 1.80 0.00 3.08 0.00 0.00 2.82 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 0.00 111 K 8.34 4.56 0.00 1.71 1.76 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.60 7.81 112 K 7.67 4.66 0.00 1.74 0.90 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.46 7.81 113 S 8.97 4.54 0.00 4.03 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.81 4.42 0.00 1.90 2.00 0.00 3.22 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.01 0.00 115 S 7.68 4.06 0.00 3.82 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.57 3.94 0.00 1.29 0.76 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.28 7.81 117 Y 8.19 3.76 0.00 3.29 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 0.00 118 G 7.98 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 0.00 119 T 8.05 4.81 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 1.26 0.00 0.00 120 K 8.53 4.24 0.00 1.74 1.74 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.36 7.81 121 K 8.79 3.75 0.00 1.69 1.77 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.54 7.81 122 P 0.00 4.44 0.00 2.21 2.03 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 123 K 8.29 4.18 0.00 1.85 1.71 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.68 7.81 124 E 8.71 4.10 0.00 1.99 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 2.31 2.25 0.00 125 A 8.82 3.50 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 *126 A 7.84 4.12 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 * Residues marked with a * may have inaccurate shift predictions.