NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 42 S 4.3711 8.3344 115.2907 58.1624 62.8203 172.0558 43 L 3.9691 7.6770 124.4594 54.0490 43.0957 174.6140 44 T 4.3954 9.1775 124.0662 63.4850 70.0788 173.4306 45 E 4.5816 9.0864 126.3401 55.2367 32.0960 175.1797 46 T 4.8813 7.9690 118.5872 62.0703 71.6956 173.4236 47 Y 4.4864 9.1930 124.2812 56.5211 40.8775 177.8330 48 G 3.9756 8.5784 117.9253 46.9120 0.0000 173.8158 49 L 4.4166 8.1655 125.1254 54.5168 42.5041 176.0701 50 W 4.8749 8.4700 119.9599 55.3955 31.3504 175.5324 51 S 5.3443 9.0439 119.0886 56.8699 66.0913 173.1280 52 I 5.4118 8.6387 122.6015 58.6398 40.4368 174.3388 53 N 5.1392 8.1250 123.1259 51.4611 42.2870 174.0211 54 C 5.4405 8.2744 118.7581 55.3190 41.6408 173.2193 55 G 4.2381 8.3788 107.4406 45.9665 0.0000 173.0375 56 I 4.4959 8.4880 113.9258 60.6624 38.5559 175.8808 57 Q 4.1686 8.2453 117.4788 55.9113 31.2693 175.2557 *61 K 4.1480 7.9320 117.0869 56.1181 32.2587 174.2553 62 V 4.5168 8.7462 126.9719 60.0735 33.7977 174.0607 63 C 5.6300 8.9112 121.6073 55.1052 36.9148 173.0858 64 F 5.4193 8.8048 118.1424 55.2050 41.5595 173.3855 65 M 5.3896 9.4868 120.6517 54.2401 34.3485 174.2772 66 H 5.7236 9.7683 120.9728 54.6307 33.0107 172.2351 67 R 4.4374 8.5802 118.7300 55.1075 33.4895 173.5735 68 Q 5.0213 8.5146 124.3068 54.1017 31.9067 174.5284 69 E 4.6841 9.2022 122.0201 54.6624 32.3865 175.6687 70 V 4.9240 8.2965 116.3748 59.6656 35.4179 175.3615 71 N 4.7911 8.2225 119.8842 51.6060 39.5053 175.3384 72 D 4.4278 8.5268 116.3876 56.3549 39.5594 176.8539 73 Q 4.1642 8.1505 116.8413 55.5430 28.9957 175.0091 74 N 4.2196 7.9964 115.6946 54.3657 38.2112 173.5135 75 R 4.5791 7.8254 112.0169 53.3577 31.5237 175.5018 76 V 4.0508 8.2307 120.5147 63.2540 32.0454 175.2505 77 V 4.2694 8.5153 127.5351 63.8898 33.1625 176.3307 78 V 4.8115 7.4335 117.9333 59.9256 35.0261 174.2999 79 A 5.1078 8.7665 123.5290 50.5550 23.2411 174.5144 80 M 5.2709 9.0873 119.2388 53.9041 36.0606 174.0340 81 S 5.5254 9.3568 120.1024 56.6682 66.2330 172.7190 82 V 5.0797 9.6231 125.8716 61.4914 35.2825 174.3355 83 V 4.8065 9.1000 120.1726 59.4752 35.6822 174.2760 84 L 4.7059 8.3329 124.5757 53.7171 42.9594 176.1988 85 N 4.6870 9.0895 124.4929 52.2872 39.5162 176.2893 86 A 4.0253 8.4781 122.4489 55.1944 18.4741 178.2558 87 D 4.5505 8.0694 112.7747 53.5377 39.8037 177.1587 88 G 3.8930 8.1361 108.1585 45.4254 0.0000 173.4360 89 V 4.0891 7.6229 119.9230 61.8224 33.3513 174.7645 90 V 4.7594 8.4241 127.8138 61.9280 33.0244 174.7021 91 S 4.8823 8.8032 121.4017 56.3433 67.0602 174.0119 92 G 4.4166 7.4352 106.5676 46.4317 0.0000 171.2248 93 N 5.5167 8.4955 119.2805 51.3830 43.2330 173.2596 94 L 5.0537 9.0917 125.0672 53.7142 44.8801 174.9377 95 T 4.8804 9.0954 123.3136 62.2277 70.4323 174.3722 96 V 4.6291 8.5260 119.7936 58.4673 35.3444 173.5438 97 P 4.5729 0.0000 0.0000 62.2738 32.0311 176.5802 98 F 4.4711 8.2208 119.8999 58.6994 39.5818 176.1038 99 G 3.9749 9.1075 109.2839 45.7502 0.0000 172.8593 100 I 4.4552 7.3872 119.8740 59.4342 37.8752 175.2624 101 L 4.0197 9.0816 127.7580 55.1529 41.7321 177.8456 102 V 3.7602 8.3585 127.3251 65.4071 31.7944 177.1321 103 S 4.3383 8.0154 112.9031 59.5107 63.5415 174.0695 104 K 4.5270 7.2549 119.5054 54.1580 33.4412 174.4798 105 P 4.6627 0.0000 0.0000 62.4945 32.8374 175.5892 106 V 4.4152 9.1798 122.6179 61.5275 33.3252 174.3204 107 R 5.0225 9.2287 129.2454 54.9058 31.9747 174.6027 108 L 5.3242 9.1943 126.5923 53.0847 44.6825 175.3125 109 Q 5.2521 9.0838 124.2494 53.4215 33.1703 173.8970 110 V 4.1095 8.4592 126.4606 61.8884 32.1873 175.4480 111 D 4.1666 8.6372 131.3950 56.1784 40.1105 174.9691 112 E 4.6484 8.8186 123.6759 57.0728 30.1570 176.0162 113 G 4.0661 7.4350 110.1112 44.5704 0.0000 174.1909 114 K 4.0413 8.4182 116.9530 57.8850 32.7601 177.2686 115 A 4.2531 7.6182 121.0132 51.2716 17.9837 175.2513 116 V 4.9943 8.3157 119.6300 61.7763 34.1778 174.4416 117 I 4.5884 9.0504 128.8169 59.3934 40.1137 174.1590 118 E 5.0383 8.8169 126.9751 54.9359 31.6403 174.3037 119 T 4.7131 8.8521 121.6081 60.6792 71.7181 171.8478 120 G 4.5489 8.3308 107.9276 44.2017 0.0000 172.5963 121 I 4.1067 8.2530 121.0265 61.3560 37.7079 176.5755 122 R 4.0649 8.8903 126.5634 58.8231 30.3964 175.8116 123 T 4.4798 7.2082 109.3354 61.6185 70.1751 171.9922 124 C 5.4746 8.5681 120.6460 55.1514 42.8428 173.7785 125 V 4.6316 8.6418 115.4236 58.5486 35.0155 174.8835 126 P 4.4707 0.0000 0.0000 65.9762 31.0802 178.1392 127 A 4.0342 7.8782 119.5048 53.5172 19.0138 177.4906 128 G 2.9602 6.6251 102.2251 44.3523 0.0000 170.5829 129 C 5.0876 8.0772 118.1716 55.8320 41.5563 173.1654 130 I 4.6953 9.0900 125.3500 60.0251 38.8112 174.8223 131 V 4.4951 8.9834 128.0315 60.3898 33.2555 173.0211 132 P 5.1159 0.0000 0.0000 62.4307 32.3728 176.1648 133 I 4.3843 8.4897 116.4248 59.0121 40.7780 174.1261 134 V 4.3910 8.0400 125.2855 60.8210 34.0403 174.1907 135 F 5.0949 8.6181 126.9746 55.6899 40.6962 175.8001 136 D 4.7729 8.7881 123.3681 52.1609 41.0754 177.1517 137 K 3.9142 8.7531 118.2252 59.9740 31.6557 179.2627 138 N 4.3940 8.2148 116.1267 56.4077 38.5340 176.7491 139 Y 3.7882 8.6025 121.0925 60.3337 38.8885 177.7250 140 V 3.5213 8.2884 119.3886 66.0823 31.1398 177.9187 141 A 3.9721 7.9515 119.7463 55.0165 18.0914 179.5197 142 A 3.8298 7.5762 119.4123 55.1215 18.1679 179.8271 143 L 3.4816 7.4595 116.7324 57.8184 41.5686 179.7176 144 R 4.0561 7.7139 117.0038 58.4087 30.1002 177.9618 145 A 4.5200 7.3998 117.1569 51.3753 19.6611 177.2667 146 G 3.8590 7.0658 106.0965 44.6704 0.0000 173.6039 147 K 4.4983 8.8028 117.3027 57.5195 34.5643 176.6620 148 H 5.2943 8.8243 116.1002 53.7920 32.9190 172.9530 149 L 4.8657 9.1577 125.2244 53.5816 42.9503 175.4710 150 K 4.7087 9.5155 127.4197 56.1373 33.7960 176.2690 151 L 5.3586 9.0932 123.5880 52.9688 45.1276 175.3749 152 A 5.0613 9.0472 124.1506 50.5435 22.5156 175.0410 153 M 5.0169 9.0197 118.8587 54.6468 35.8319 173.4086 154 T 5.0238 8.3229 114.4891 61.7838 71.5115 174.0002 155 I 4.3321 8.8232 127.5328 60.9741 38.5786 175.7582 156 A 4.6906 8.9630 130.0019 50.9851 16.6943 176.2884 157 A 4.5908 7.9143 122.5312 49.5426 22.7224 174.3153 158 P 4.3390 0.0000 0.0000 64.5361 31.5567 176.9188 159 G 3.9161 8.8480 112.0288 44.1320 0.0000 172.7617 160 E 4.1099 7.7849 117.1238 55.8568 27.1951 172.5978 161 P 4.6775 0.0000 0.0000 61.5365 33.3689 175.4613 162 P 4.8809 0.0000 0.0000 62.5988 32.9631 175.4865 163 L 4.6673 9.1761 124.0329 53.8648 43.7415 176.1616 164 N 5.2344 9.2114 121.7300 51.9857 40.2345 174.8361 165 D 4.8379 8.1068 116.8491 53.2394 40.2194 176.0254 166 L 4.4981 7.5520 120.6681 54.2694 43.6274 175.3443 167 F 5.4378 7.6424 115.5051 56.1491 41.2933 173.0861 168 V 4.6412 8.9296 119.3979 61.1095 33.9830 174.5432 169 Q 4.4643 9.5729 128.0213 55.8019 29.3524 176.1236 170 L 4.8760 9.0626 122.9223 54.4142 42.4614 175.6014 171 N 4.5383 8.1335 119.3383 56.2206 38.9322 175.3828 172 G 4.2209 9.2369 114.8782 45.2234 0.0000 174.2016 173 F 3.1097 8.3960 122.2254 61.2182 39.2105 176.9280 174 S 4.0645 8.0763 111.9718 61.5755 62.4244 175.7178 175 N 4.1933 8.0580 118.4668 56.0911 38.3436 177.1785 176 A 3.3002 7.9115 122.4228 54.6995 18.4308 179.4842 177 L 3.6211 7.6501 119.1411 58.0769 42.1024 178.8115 178 N 4.2154 8.0348 116.6101 56.3125 38.3678 177.3364 179 R 3.7718 7.4739 119.5488 59.2482 29.9741 178.5067 180 L 3.9158 7.7364 118.8481 57.8216 41.0719 179.6254 181 I 3.6753 7.8289 119.5221 64.3267 36.7758 178.4017 182 A 4.0217 8.0396 121.6055 55.0209 17.9481 179.6241 183 L 4.0159 7.9896 116.8469 57.5829 41.7331 179.3024 184 Q 4.1426 7.6505 117.9155 58.8643 28.7167 178.4682 185 K 4.1449 7.5907 117.8679 59.0245 32.1335 177.5358 186 E 4.2802 7.7421 122.6000 56.5683 29.5893 176.4540 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 42 S 8.33 4.37 0.00 3.86 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 43 L 7.68 3.97 0.00 1.70 1.54 0.91 0.75 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 44 T 9.18 4.40 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 1.25 0.00 0.00 45 E 9.09 4.58 0.00 2.02 1.81 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 2.25 2.29 0.00 46 T 7.97 4.88 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 47 Y 9.19 4.49 0.00 2.97 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 48 G 8.58 3.98 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 0.00 0.00 0.00 49 L 8.17 4.42 0.00 1.82 1.67 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 50 W 8.47 4.87 0.00 3.49 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 51 S 9.04 5.34 0.00 3.31 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.64 5.41 1.98 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 1.24 1.98 0.87 0.00 0.00 53 N 8.13 5.14 0.00 1.83 2.40 0.00 0.00 6.92 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 54 C 8.27 5.44 0.00 2.80 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 55 G 8.38 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 0.00 0.00 0.00 0.00 56 I 8.49 4.50 1.89 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 1.44 0.66 0.93 0.00 0.00 57 Q 8.25 4.17 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 *61 K 7.93 4.15 0.00 1.76 1.83 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.46 7.81 62 V 8.75 4.52 2.13 0.00 0.00 0.00 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 1.01 0.00 0.00 63 C 8.91 5.63 0.00 2.86 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 64 F 8.80 5.42 0.00 3.19 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 65 M 9.49 5.39 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 66 H 9.77 5.72 0.00 3.39 3.64 0.00 5.52 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.58 4.44 0.00 0.67 0.66 0.00 2.74 0.00 0.00 2.57 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.25 0.00 68 Q 8.51 5.02 0.00 1.87 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.46 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 69 E 9.20 4.68 0.00 1.63 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.47 0.00 70 V 8.30 4.92 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 0.70 0.00 0.00 0.93 0.00 0.00 71 N 8.22 4.79 0.00 2.96 2.95 0.00 0.00 7.09 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 72 D 8.53 4.43 0.00 2.79 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.15 4.16 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 74 N 8.00 4.22 0.00 2.84 2.87 0.00 0.00 7.01 6.99 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 75 R 7.83 4.58 0.00 2.02 2.00 0.00 2.82 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 76 V 8.23 4.05 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 0.77 0.00 0.00 0.93 0.00 0.00 77 V 8.52 4.27 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 0.76 0.00 0.00 0.94 0.00 0.00 78 V 7.43 4.81 1.99 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 0.64 0.00 0.00 0.92 0.00 0.00 79 A 8.77 5.11 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 80 M 9.09 5.27 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 3.06 0.00 81 S 9.36 5.53 0.00 3.95 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 82 V 9.62 5.08 2.35 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 0.88 0.00 0.00 1.33 0.00 0.00 83 V 9.10 4.81 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 0.93 0.00 0.00 1.00 0.00 0.00 84 L 8.33 4.71 0.00 1.64 1.58 1.02 1.00 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 85 N 9.09 4.69 0.00 2.98 2.74 0.00 0.00 6.46 8.68 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 86 A 8.48 4.03 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 87 D 8.07 4.55 0.00 2.80 2.78 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 88 G 8.14 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 89 V 7.62 4.09 2.22 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 1.03 0.00 0.00 0.94 0.00 0.00 90 V 8.42 4.76 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 1.01 0.00 0.00 91 S 8.80 4.88 0.00 3.96 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 92 G 7.44 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.50 5.52 0.00 2.59 2.64 0.00 0.00 6.91 6.25 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 94 L 9.09 5.05 0.00 1.78 1.69 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 95 T 9.10 4.88 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 1.10 0.00 0.00 96 V 8.53 4.63 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 0.70 0.00 0.00 0.91 0.00 0.00 97 P 0.00 4.57 0.00 1.91 1.95 0.00 3.63 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 2.18 0.00 98 F 8.22 4.47 0.00 3.07 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 99 G 9.11 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 0.00 100 I 7.39 4.46 1.89 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 1.51 0.88 0.96 0.00 0.00 101 L 9.08 4.02 0.00 1.69 1.69 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.36 3.76 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 0.88 0.00 0.00 0.95 0.00 0.00 103 S 8.02 4.34 0.00 4.02 3.98 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 0.00 104 K 7.25 4.53 0.00 1.81 1.77 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.39 7.81 105 P 0.00 4.66 0.00 1.94 2.04 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 106 V 9.18 4.42 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 0.95 0.00 0.00 0.94 0.00 0.00 107 R 9.23 5.02 0.00 1.91 1.81 0.00 3.12 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 108 L 9.19 5.32 0.00 1.72 1.76 0.97 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 0.00 109 Q 9.08 5.25 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.15 0.00 110 V 8.46 4.11 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 0.76 0.00 0.00 0.46 0.00 0.00 111 D 8.64 4.17 0.00 2.79 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 0.00 0.00 0.00 112 E 8.82 4.65 0.00 1.89 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 2.19 2.23 0.00 113 G 7.43 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.42 4.04 0.00 1.72 1.86 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.40 7.81 115 A 7.62 4.25 0.66 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 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.32 4.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.02 0.00 0.00 117 I 9.05 4.59 1.74 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.28 0.81 0.00 0.00 118 E 8.82 5.04 0.00 1.95 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 119 T 8.85 4.71 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 1.21 0.00 0.00 120 G 8.33 4.55 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 0.00 0.00 0.00 121 I 8.25 4.11 1.88 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 1.29 0.58 1.00 0.00 0.00 122 R 8.89 4.06 0.00 1.73 1.92 0.00 3.28 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 123 T 7.21 4.48 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 0.00 124 C 8.57 5.47 0.00 3.10 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.64 4.63 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 0.81 0.00 0.00 0.96 0.00 0.00 126 P 0.00 4.47 0.00 2.09 2.20 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 127 A 7.88 4.03 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 0.00 128 G 6.63 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 0.00 0.00 0.00 129 C 8.08 5.09 0.00 2.83 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 0.00 130 I 9.09 4.70 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.03 0.88 0.00 0.00 131 V 8.98 4.50 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 1.00 0.00 0.00 0.92 0.00 0.00 132 P 0.00 5.12 0.00 1.91 1.91 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 133 I 8.49 4.38 1.03 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.78 0.80 0.00 0.00 134 V 8.04 4.39 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 0.78 0.00 0.00 0.82 0.00 0.00 135 F 8.62 5.09 0.00 3.03 2.94 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 0.00 136 D 8.79 4.77 0.00 2.97 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 0.00 137 K 8.75 3.91 0.00 1.82 1.95 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.52 7.81 138 N 8.21 4.39 0.00 3.00 2.88 0.00 0.00 6.79 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.60 3.79 0.00 3.28 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.29 3.52 2.29 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 1.03 0.00 0.00 1.15 0.00 0.00 141 A 7.95 3.97 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 0.00 142 A 7.58 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.46 3.48 0.00 1.40 0.65 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.71 4.06 0.00 1.93 1.98 0.00 3.15 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 145 A 7.40 4.52 1.23 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 0.00 146 G 7.07 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 0.00 0.00 0.00 147 K 8.80 4.50 0.00 1.65 1.90 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.39 7.81 148 H 8.82 5.29 0.00 2.93 3.10 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 9.16 4.87 0.00 1.76 1.83 1.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 150 K 9.52 4.71 0.00 1.90 1.79 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.53 1.46 7.81 151 L 9.09 5.36 0.00 1.72 1.57 1.03 1.09 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 0.00 152 A 9.05 5.06 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 0.00 153 M 9.02 5.02 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.68 0.00 154 T 8.32 5.02 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 0.00 155 I 8.82 4.33 1.95 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 1.18 0.79 0.96 0.00 0.00 156 A 8.96 4.69 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 A 7.91 4.59 1.22 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 0.00 0.00 158 P 0.00 4.34 0.00 2.05 2.03 0.00 3.65 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 2.03 2.10 0.00 159 G 8.85 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 160 E 7.78 4.11 0.00 2.09 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 2.26 2.22 0.00 161 P 0.00 4.68 0.00 2.08 1.97 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 162 P 0.00 4.88 0.00 2.09 2.06 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 163 L 9.18 4.67 0.00 1.71 1.57 0.97 0.65 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 0.00 164 N 9.21 5.23 0.00 2.74 2.82 0.00 0.00 7.24 8.06 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 0.00 165 D 8.11 4.84 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 7.55 4.50 0.00 1.65 1.56 0.84 0.90 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 0.00 167 F 7.64 5.44 0.00 3.09 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 0.00 168 V 8.93 4.64 2.29 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 1.06 0.00 0.00 1.02 0.00 0.00 169 Q 9.57 4.46 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.79 0.00 170 L 9.06 4.88 0.00 1.93 1.66 0.82 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 171 N 8.13 4.54 0.00 2.81 2.84 0.00 0.00 7.35 7.93 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 0.00 172 G 9.24 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 0.00 0.00 0.00 0.00 173 F 8.40 3.11 0.00 2.89 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 0.00 174 S 8.08 4.06 0.00 3.96 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 0.00 175 N 8.06 4.19 0.00 2.82 2.85 0.00 0.00 6.99 8.12 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 0.00 176 A 7.91 3.30 1.20 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 0.00 177 L 7.65 3.62 0.00 1.23 1.55 0.77 0.98 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 0.00 178 N 8.03 4.22 0.00 2.77 2.75 0.00 0.00 6.63 7.21 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 0.00 179 R 7.47 3.77 0.00 1.39 1.64 0.00 3.12 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 180 L 7.74 3.92 0.00 1.89 1.62 0.87 0.73 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 0.00 181 I 7.83 3.68 1.96 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 1.42 1.06 0.88 0.00 0.00 182 A 8.04 4.02 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 0.00 183 L 7.99 4.02 0.00 1.74 1.73 0.93 1.08 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 0.00 184 Q 7.65 4.14 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 185 K 7.59 4.14 0.00 1.88 1.86 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.59 7.81 186 E 7.74 4.28 0.00 2.09 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 2.34 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.