NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1835 8.1227 123.5333 51.6337 19.8091 177.6910 3 V 3.3934 8.3525 121.2923 64.0398 31.6845 175.3272 4 Y 4.2177 7.7712 116.0740 58.1983 39.0914 175.4596 5 V 2.9968 6.6962 121.1452 61.2063 30.1806 175.5758 6 K 4.2306 8.6130 127.8726 58.4399 32.3226 177.4526 7 F 4.8795 6.6859 111.2186 55.3367 40.2994 173.1941 8 K 4.1778 8.6723 123.2831 55.6267 32.7644 176.0457 9 V 4.4526 8.2127 125.7346 60.2517 33.1017 173.9843 10 P 4.3975 0.0000 0.0000 62.6462 33.1989 176.6941 11 E 3.9921 9.0425 123.7360 60.4118 29.1115 179.9206 12 E 4.0511 8.1564 117.6716 61.1602 29.7427 181.2893 13 I 4.0771 7.6195 119.8567 64.0802 37.2914 178.2082 14 Q 4.0262 8.2680 119.2700 58.8512 28.5331 178.7615 15 K 3.9299 8.1842 120.5798 59.6639 32.1873 178.7452 16 E 4.0239 7.8859 118.4612 59.2179 29.3134 179.3852 17 L 4.0067 8.1422 119.3991 57.8366 41.7474 179.5249 18 L 4.0408 8.1699 119.0885 57.7065 41.5084 179.0977 19 D 4.3126 8.3307 117.9260 57.2338 41.2853 178.1040 20 A 4.0053 8.2067 121.4320 55.0830 18.1270 179.7926 21 V 3.5135 7.6487 115.5688 66.2094 31.7446 177.9245 22 A 4.2999 7.8151 120.4155 54.0591 18.3589 178.8759 23 K 4.2096 8.1306 115.2038 56.0383 32.7156 176.9146 24 A 4.3108 7.0037 122.1572 52.6151 18.9017 177.5593 25 Q 4.2903 8.8170 120.6739 58.0912 29.8643 176.9251 26 K 4.7154 7.8270 120.0353 54.8676 35.6671 175.2100 27 I 5.2714 8.3745 119.3981 59.3044 41.5747 174.1499 28 K 4.8033 9.0515 121.4163 54.2818 35.3311 175.6306 29 K 4.7213 8.8082 123.3575 55.9105 35.0011 176.1700 30 G 4.0336 9.1350 111.8289 44.6665 0.0000 174.3851 31 A 3.9253 8.8511 123.5819 55.0745 18.2010 179.9575 32 N 4.2262 7.9948 114.7879 57.0552 39.2281 176.9891 33 E 3.9628 8.0816 119.5230 59.1827 29.5786 179.4233 34 V 3.5644 8.0994 118.7358 66.2829 31.5947 178.2814 35 T 3.8820 7.9750 115.4749 66.5773 68.2764 176.8319 36 K 3.9447 8.3043 120.3080 59.3356 32.0604 179.2681 37 A 3.9753 8.1781 121.1227 55.1951 18.4412 179.8972 38 V 3.5598 7.9172 116.7816 66.2238 31.3771 178.1769 39 E 4.0479 8.2056 117.4785 59.1002 29.3955 178.8132 40 R 4.2428 7.9977 116.2683 56.2330 30.3350 177.2995 41 G 3.8895 7.6161 106.4733 46.2162 0.0000 174.3064 42 I 4.1750 7.6655 111.0417 60.2167 38.3588 175.4131 43 A 4.2990 7.7902 123.7547 51.9816 18.5913 177.4573 44 K 4.3747 8.9604 121.4215 57.5749 34.0703 177.1388 45 L 4.6980 7.6340 120.7399 53.8390 45.8153 174.0208 46 V 4.8174 8.8538 126.3120 61.1987 34.1120 173.9936 47 I 4.8651 8.9009 129.0331 59.6216 39.7194 174.4950 48 I 4.8940 8.4181 127.6567 59.1479 39.8573 175.1602 49 A 4.7204 8.8592 129.2738 52.2845 18.7323 177.5053 50 E 4.3563 9.4835 120.4061 57.1576 30.9788 177.3195 51 D 5.3294 7.3591 118.1835 52.9509 40.2154 176.8472 52 V 4.0019 7.9861 119.5034 63.2741 32.2926 174.9386 53 K 4.6919 8.3492 125.6483 54.0033 36.1804 174.3908 54 P 4.4159 0.0000 0.0000 62.5359 32.1053 177.4233 55 E 4.4480 8.9826 125.3066 59.5004 29.1582 179.9680 56 E 4.0606 8.2771 117.2662 60.8942 29.6423 183.0394 57 V 3.9335 7.4952 115.9350 65.6984 31.9127 177.4494 58 V 4.1806 7.2675 108.1327 60.5181 32.5714 177.0257 59 A 3.9732 7.7146 121.3699 55.2116 18.3428 179.0542 60 H 4.3417 8.2228 112.9748 58.0481 28.7851 177.6047 61 L 3.6772 7.4474 122.2951 57.2729 41.4324 177.4473 62 P 3.1664 0.0000 0.0000 66.0358 31.2696 178.9171 *63 Y 3.9366 7.6020 118.8369 61.8348 36.9171 179.5820 64 L 4.1253 7.9871 122.8616 58.1650 42.1838 178.8735 65 C 4.1331 8.2504 116.9207 62.9352 27.7446 175.7882 66 E 4.1820 8.4097 122.5879 60.3699 28.8466 180.1074 67 E 4.0579 8.0969 117.0940 60.8070 29.9520 180.5082 68 K 4.5128 8.0776 116.7530 56.0975 32.3917 177.7654 69 G 3.9207 7.4485 106.8187 46.1750 0.0000 173.1384 70 I 4.3754 7.6925 120.2516 59.0539 38.3583 174.3796 71 P 4.6167 0.0000 0.0000 62.9344 32.4269 174.8808 72 Y 5.3837 7.9595 119.7114 56.0432 41.4089 173.5764 73 A 4.6142 8.7175 121.3591 51.4841 23.2952 174.2117 74 Y 5.8892 8.4162 113.6390 55.6265 42.1616 175.8798 75 V 4.7119 8.3058 112.5978 59.5739 34.3028 176.5659 76 A 4.4537 9.6108 126.3578 53.8341 19.6618 177.6516 77 S 5.1827 7.9148 110.2211 55.9801 64.5792 174.8757 78 K 4.1281 9.2769 128.1258 59.9141 32.2792 179.3073 79 Q 3.9214 8.0061 120.4813 59.2320 29.1013 177.6692 80 D 4.3774 8.2529 119.9949 57.3063 40.8359 178.5829 81 L 4.0748 8.2512 121.0763 58.0064 42.0005 179.2648 82 G 3.9659 8.2996 107.2608 47.1544 0.0000 175.5701 83 K 4.1867 8.4212 123.3183 58.7283 31.9799 178.7527 84 A 4.0298 8.2637 120.8547 54.8548 18.0578 178.5322 85 A 4.4487 7.6793 116.5119 52.2838 18.5711 178.1821 86 G 3.8164 8.0176 105.9696 45.7828 0.0000 173.8032 87 L 4.5460 8.1068 122.3875 53.8840 43.4193 177.6114 88 E 4.4487 8.5097 114.3606 56.1537 30.6677 175.7533 89 V 4.5314 7.1971 110.0692 59.8758 35.3382 174.5569 90 A 4.7092 8.2826 123.1540 52.1958 18.4819 176.8862 91 A 4.6368 8.1062 121.4998 50.5006 21.9368 177.5936 92 S 4.4809 8.8266 118.5969 61.3275 64.4649 174.0966 93 S 5.0655 7.5446 109.8053 57.5863 66.5553 174.2182 94 V 4.9816 8.8227 119.8530 61.3279 35.4777 173.4300 95 A 5.1669 9.0380 128.0652 50.1791 21.9515 175.0935 96 I 4.2501 8.8724 124.5830 60.9495 37.9779 176.5916 97 I 4.1432 8.7070 128.6145 62.7081 38.5678 175.8151 98 N 4.9611 7.8646 121.4427 51.4073 41.7056 174.0060 99 E 4.5208 8.8246 124.6192 55.7606 30.8199 178.0878 100 G 3.5925 8.4468 107.8249 47.1956 0.0000 174.4494 101 D 4.5763 7.7957 118.6265 51.2184 44.3043 175.0428 102 A 4.4213 8.6717 130.5336 54.8811 18.4794 178.9997 103 E 3.9134 8.1895 116.2636 59.6517 29.6275 179.2913 104 E 3.9759 9.0289 118.9617 59.2611 29.4490 179.2324 105 L 3.9375 7.9165 120.3436 58.0219 42.1985 178.8755 106 K 3.9032 8.1558 119.6320 59.5573 32.1031 178.9362 107 V 3.5722 7.9036 118.5141 65.8108 31.4523 177.8105 108 L 3.9541 8.0306 120.1478 58.2483 41.8973 179.0120 109 I 3.7274 8.1637 120.2064 64.3629 36.8369 178.3272 110 E 3.9269 8.1769 119.5451 59.2896 29.1423 179.4940 111 K 3.9506 8.0673 118.6406 59.3427 32.1011 179.6517 112 V 3.5052 7.8106 118.6124 66.0076 31.2793 177.9034 113 N 4.1935 8.0282 115.0969 55.8138 38.3000 177.3104 114 V 3.6761 7.1614 119.4008 65.8308 31.8104 177.9076 115 L 3.9957 7.2763 117.1266 56.9573 41.4115 177.6398 116 K 3.5649 7.1132 123.6483 56.3457 32.2381 176.0921 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 A 8.12 4.18 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.35 3.39 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 0.83 0.00 0.00 0.90 0.00 0.00 4 Y 7.77 4.22 0.00 3.07 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 6.70 3.00 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 -0.04 0.00 0.00 0.17 0.00 0.00 6 K 8.61 4.23 0.00 2.11 2.12 0.00 1.93 0.00 0.00 1.83 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.87 1.84 7.81 7 F 6.69 4.88 0.00 3.09 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 8 K 8.67 4.18 0.00 1.74 1.81 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.52 7.81 9 V 8.21 4.45 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 1.01 0.00 0.00 1.33 0.00 0.00 10 P 0.00 4.40 0.00 2.22 1.98 0.00 3.72 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 11 E 9.04 3.99 0.00 2.04 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 2.40 2.41 0.00 12 E 8.16 4.05 0.00 2.01 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 2.31 1.97 0.00 13 I 7.62 4.08 2.04 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 1.65 0.47 0.95 0.00 0.00 14 Q 8.27 4.03 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 15 K 8.18 3.93 0.00 2.05 2.02 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.36 7.81 16 E 7.89 4.02 0.00 2.27 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 0.00 2.34 2.54 0.00 17 L 8.14 4.01 0.00 1.90 1.74 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.17 4.04 0.00 1.85 1.73 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.33 4.31 0.00 2.95 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 20 A 8.21 4.01 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 21 V 7.65 3.51 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 0.89 0.00 0.00 0.96 0.00 0.00 22 A 7.82 4.30 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.13 4.21 0.00 1.83 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.70 7.81 24 A 7.00 4.31 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 4.29 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.51 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 26 K 7.83 4.72 0.00 1.78 1.59 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 27 I 8.37 5.27 1.95 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 1.34 0.84 0.91 0.00 0.00 28 K 9.05 4.80 0.00 1.63 1.69 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.48 7.81 29 K 8.81 4.72 0.00 1.70 1.75 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.40 7.81 30 G 9.13 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 0.00 0.00 0.00 31 A 8.85 3.93 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 32 N 7.99 4.23 0.00 2.83 2.81 0.00 0.00 7.23 7.65 0.00 0.00 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 E 8.08 3.96 0.00 2.04 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 2.39 2.36 0.00 34 V 8.10 3.56 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 0.99 0.00 0.00 1.02 0.00 0.00 35 T 7.98 3.88 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 36 K 8.30 3.94 0.00 1.93 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.71 7.81 37 A 8.18 3.98 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 38 V 7.92 3.56 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 1.01 0.00 0.00 0.99 0.00 0.00 39 E 8.21 4.05 0.00 2.10 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 0.00 2.34 2.64 0.00 40 R 8.00 4.24 0.00 2.21 1.97 0.00 3.35 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 41 G 7.62 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 42 I 7.67 4.17 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 1.37 0.71 0.91 0.00 0.00 43 A 7.79 4.30 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 44 K 8.96 4.37 0.00 1.75 1.87 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.49 7.81 45 L 7.63 4.70 0.00 1.73 1.46 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.85 4.82 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 0.91 0.00 0.00 0.93 0.00 0.00 47 I 8.90 4.87 1.87 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 1.23 0.58 0.93 0.00 0.00 48 I 8.42 4.89 1.93 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 1.05 0.62 0.93 0.00 0.00 49 A 8.86 4.72 1.40 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 0.00 0.00 0.00 50 E 9.48 4.36 0.00 2.09 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 2.18 2.52 0.00 51 D 7.36 5.33 0.00 2.69 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.99 4.00 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 0.99 0.00 0.00 0.96 0.00 0.00 53 K 8.35 4.69 0.00 1.75 1.67 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.49 7.81 54 P 0.00 4.42 0.00 2.18 1.98 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 55 E 8.98 4.45 0.00 2.13 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 0.00 2.79 2.35 0.00 56 E 8.28 4.06 0.00 2.06 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 2.23 1.95 0.00 57 V 7.50 3.93 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 0.96 0.00 0.00 0.96 0.00 0.00 58 V 7.27 4.18 1.72 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 0.71 0.00 0.00 0.09 0.00 0.00 59 A 7.71 3.97 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 60 H 8.22 4.34 0.00 3.33 3.51 0.00 5.47 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.45 3.68 0.00 1.56 1.51 0.76 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 3.17 0.00 2.06 1.87 0.00 3.70 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 2.36 2.04 0.00 *63 Y 7.60 3.94 0.00 2.32 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 64 L 7.99 4.13 0.00 1.79 1.74 0.92 1.28 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 65 C 8.25 4.13 0.00 2.93 3.38 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 66 E 8.41 4.18 0.00 2.28 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 0.00 2.75 2.65 0.00 67 E 8.10 4.06 0.00 2.08 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 2.26 2.22 0.00 68 K 8.08 4.51 0.00 1.75 1.89 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.59 7.81 69 G 7.45 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 70 I 7.69 4.38 1.92 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 1.23 0.63 0.95 0.00 0.00 71 P 0.00 4.62 0.00 2.07 1.93 0.00 3.78 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 72 Y 7.96 5.38 0.00 2.83 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 73 A 8.72 4.61 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.42 5.89 0.00 2.74 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.31 4.71 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 0.80 0.00 0.00 0.99 0.00 0.00 76 A 9.61 4.45 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 77 S 7.91 5.18 0.00 3.85 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 78 K 9.28 4.13 0.00 2.17 2.09 0.00 1.39 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.75 1.46 7.81 79 Q 8.01 3.92 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 80 D 8.25 4.38 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 81 L 8.25 4.07 0.00 1.87 1.83 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.30 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 83 K 8.42 4.19 0.00 1.86 2.00 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.32 7.81 84 A 8.26 4.03 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.68 4.45 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.02 3.82 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 0.00 0.00 0.00 87 L 8.11 4.55 0.00 1.94 1.59 0.92 1.22 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 88 E 8.51 4.45 0.00 1.98 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 2.16 1.88 0.00 89 V 7.20 4.53 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 0.88 0.00 0.00 0.93 0.00 0.00 90 A 8.28 4.71 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 91 A 8.11 4.64 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 92 S 8.83 4.48 0.00 3.87 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.54 5.07 0.00 3.86 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 94 V 8.82 4.98 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 0.94 0.00 0.00 0.93 0.00 0.00 95 A 9.04 5.17 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 96 I 8.87 4.25 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 1.23 0.71 0.91 0.00 0.00 97 I 8.71 4.14 1.99 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 1.11 0.79 0.98 0.00 0.00 98 N 7.86 4.96 0.00 2.71 2.71 0.00 0.00 6.94 7.65 0.00 0.00 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 E 8.82 4.52 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 100 G 8.45 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.80 4.58 0.00 2.65 2.47 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 0.00 102 A 8.67 4.42 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 0.00 103 E 8.19 3.91 0.00 2.27 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 2.40 1.97 0.00 104 E 9.03 3.98 0.00 2.10 2.00 0.00 0.00 0.00 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 2.56 0.00 105 L 7.92 3.94 0.00 1.77 1.83 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.16 3.90 0.00 1.86 1.92 0.00 1.68 0.00 0.00 1.57 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.44 7.81 107 V 7.90 3.57 2.20 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 0.93 0.00 0.00 0.95 0.00 0.00 108 L 8.03 3.95 0.00 1.90 1.81 0.93 0.88 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 0.00 109 I 8.16 3.73 2.03 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 1.51 0.56 0.88 0.00 0.00 110 E 8.18 3.93 0.00 2.18 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 2.30 2.55 0.00 111 K 8.07 3.95 0.00 1.98 1.84 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.66 7.81 112 V 7.81 3.51 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 0.95 0.00 0.00 1.02 0.00 0.00 113 N 8.03 4.19 0.00 2.79 2.78 0.00 0.00 7.04 7.52 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 0.00 114 V 7.16 3.68 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 0.78 0.00 0.00 0.91 0.00 0.00 115 L 7.28 4.00 0.00 1.39 1.62 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.11 3.56 0.00 1.38 1.54 0.00 1.48 0.00 0.00 1.58 0.00 0.00 3.17 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.31 1.03 7.81 * Residues marked with a * may have inaccurate shift predictions.