NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 81 I 4.2445 7.8676 121.3957 60.6072 40.4117 174.8008 82 I 4.6669 7.6016 115.0778 58.8641 40.1179 170.0139 83 V 5.1307 8.6103 117.4249 59.5297 36.5438 175.8795 84 V 4.8966 8.5083 121.5451 59.6422 34.2717 174.7999 85 A 4.3471 9.1090 126.8935 52.1518 18.6918 178.2244 86 L 3.5610 8.8774 123.1331 56.5563 42.5542 176.2239 87 Y 5.0362 7.4222 113.6725 56.1045 42.5035 174.5452 88 D 5.0032 8.9092 120.1132 54.4188 42.2256 175.8255 89 Y 4.6688 8.6218 123.2307 55.8526 42.0225 173.5169 90 E 4.5878 8.0128 125.7524 54.1402 31.0486 175.9967 91 A 3.8189 8.5340 128.9707 52.3900 18.8712 177.2016 92 I 4.2065 8.7095 114.9986 60.9908 39.0331 174.5618 93 H 5.0390 7.6960 120.2449 54.4697 33.1263 173.0300 94 H 4.4660 8.2589 116.4324 57.4555 28.9489 176.1011 95 E 4.2594 7.5885 118.6367 57.3208 30.0257 175.7660 96 D 5.2247 7.4373 117.4469 54.2399 42.0159 175.6031 97 L 4.8261 8.8259 122.1289 53.5385 43.9173 176.3598 98 S 4.7377 8.9233 122.8304 58.7376 64.0511 173.2556 99 F 4.9858 8.3773 116.4546 56.6675 41.7005 172.5685 100 Q 5.2847 10.2618 119.0880 53.4068 32.2225 175.5604 101 K 4.1375 9.6149 123.0903 58.3756 32.4420 176.8292 102 G 4.0538 9.4328 115.8641 45.2185 0.0000 173.5942 103 D 4.5491 7.9807 119.8053 54.9288 42.0513 175.6592 104 Q 5.1963 8.6052 120.5599 54.6990 31.7284 174.3783 105 M 5.0985 8.7526 118.5002 54.0779 35.5241 173.5031 106 V 4.3336 8.5884 120.8189 61.6091 33.4979 174.9664 107 V 4.2777 8.4464 129.0369 62.5795 31.1212 175.6817 108 L 4.2443 8.8681 129.5676 57.3783 42.2672 177.8352 109 E 4.5150 7.8827 116.9201 54.1504 33.8162 176.1183 110 E 3.6190 8.0919 125.7042 55.0862 28.7601 178.3304 111 S 4.5792 7.7889 116.9032 57.4087 63.2555 176.0249 112 G 4.0324 7.8423 119.4092 47.2353 0.0000 173.9540 113 E 3.9828 9.0388 122.3749 57.9719 30.4890 175.7800 114 W 5.0644 8.3153 118.8970 54.6531 31.2480 175.5522 115 W 5.4118 9.0977 124.6284 54.9620 31.9203 174.8039 116 K 4.5688 9.1254 124.5875 55.4877 33.3036 175.4065 117 A 5.2424 9.2956 128.0017 50.3689 23.7083 174.4713 118 R 4.8035 8.5656 118.9557 54.3095 32.9276 174.8130 119 S 4.4743 8.9154 122.5536 58.5678 62.9186 174.8743 120 L 4.1968 8.8530 126.9108 57.1849 41.6757 178.6096 121 A 4.1836 8.2680 121.4549 54.7713 19.1371 178.3080 122 T 4.2726 8.2488 104.9506 61.3271 69.9059 176.6607 123 R 4.6763 8.0262 118.3177 56.8879 27.9497 176.0545 124 K 4.3698 7.3793 117.5276 55.9766 32.9306 175.2834 125 E 5.1707 9.3068 118.3885 54.1516 33.4988 175.7181 126 G 4.0952 7.2820 107.5333 44.9407 0.0000 171.0603 127 Y 5.2501 7.9958 117.6613 57.2964 39.5643 175.4128 128 I 5.1319 9.2261 115.9428 58.4753 41.9293 172.6467 129 P 3.7362 0.0000 0.0000 61.6191 31.7702 177.7337 130 S 3.0933 8.3160 120.7218 60.1756 62.7551 175.3055 131 N 4.5117 7.6506 116.5543 53.1707 37.6830 174.9113 132 Y 4.5442 7.9952 116.8901 58.6377 38.8044 175.1443 133 V 4.9125 7.0624 111.0552 59.2126 35.8336 174.7671 134 A 4.7261 8.5616 123.0464 50.0941 21.9049 175.5755 135 R 4.5048 8.7786 122.9072 55.9005 31.3046 176.5227 136 V 3.9563 8.3154 124.5550 63.0103 31.5383 175.1920 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 81 I 7.87 4.24 1.84 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 1.36 0.50 0.86 0.00 0.00 82 I 7.60 4.67 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 0.90 0.00 0.00 83 V 8.61 5.13 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 1.01 0.00 0.00 0.94 0.00 0.00 84 V 8.51 4.90 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 0.71 0.00 0.00 0.95 0.00 0.00 85 A 9.11 4.35 1.26 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 86 L 8.88 3.56 0.00 0.27 0.70 0.69 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.42 5.04 0.00 2.73 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 88 D 8.91 5.00 0.00 2.67 2.65 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 89 Y 8.62 4.67 0.00 2.47 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 90 E 8.01 4.59 0.00 1.60 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 2.11 2.14 0.00 91 A 8.53 3.82 1.26 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 92 I 8.71 4.21 1.89 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 1.56 0.72 0.93 0.00 0.00 93 H 7.70 5.04 0.00 3.00 3.18 0.00 5.86 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 H 8.26 4.47 0.00 3.23 3.34 0.00 5.76 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 7.59 4.26 0.00 2.06 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 0.00 2.32 1.89 0.00 96 D 7.44 5.22 0.00 2.90 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 97 L 8.83 4.83 0.00 1.80 1.77 1.03 0.95 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 98 S 8.92 4.74 0.00 3.81 3.76 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 99 F 8.38 4.99 0.00 3.30 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 0.00 100 Q 10.26 5.28 0.00 1.99 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 101 K 9.61 4.14 0.00 1.87 1.80 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.47 7.81 102 G 9.43 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 0.00 0.00 0.00 103 D 7.98 4.55 0.00 2.76 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.61 5.20 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 105 M 8.75 5.10 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 106 V 8.59 4.33 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 0.88 0.00 0.00 0.92 0.00 0.00 107 V 8.45 4.28 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 0.48 0.00 0.00 1.12 0.00 0.00 108 L 8.87 4.24 0.00 1.68 1.66 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 109 E 7.88 4.52 0.00 1.89 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 2.28 2.31 0.00 110 E 8.09 3.62 0.00 1.59 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 1.47 1.64 0.00 111 S 7.79 4.58 0.00 4.13 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 0.00 112 G 7.84 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 0.00 113 E 9.04 3.98 0.00 2.01 1.79 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 2.33 2.21 0.00 114 W 8.32 5.06 0.00 3.16 3.25 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 0.00 115 W 9.10 5.41 0.00 3.28 3.10 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 0.00 116 K 9.13 4.57 0.00 1.62 1.59 0.00 1.36 0.00 0.00 1.55 0.00 0.00 2.62 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 0.81 7.81 117 A 9.30 5.24 1.26 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 0.00 118 R 8.57 4.80 0.00 1.86 1.75 0.00 3.09 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 119 S 8.92 4.47 0.00 4.02 3.76 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 0.00 120 L 8.85 4.20 0.00 1.72 1.71 0.91 0.87 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 0.00 121 A 8.27 4.18 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 0.00 122 T 8.25 4.27 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 1.26 0.00 0.00 123 R 8.03 4.68 0.00 2.03 2.20 0.00 3.26 0.00 0.00 3.89 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 124 K 7.38 4.37 0.00 2.00 1.79 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.44 7.81 125 E 9.31 5.17 0.00 1.88 1.75 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 2.18 2.27 0.00 126 G 7.28 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 0.00 127 Y 8.00 5.25 0.00 3.06 3.27 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 0.00 128 I 9.23 5.13 1.97 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 1.55 0.84 1.15 0.00 0.00 129 P 0.00 3.74 0.00 1.47 1.07 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.75 0.00 130 S 8.32 3.09 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.65 4.51 0.00 2.81 2.84 0.00 0.00 6.00 7.55 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 0.00 132 Y 8.00 4.54 0.00 3.25 3.27 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 0.00 133 V 7.06 4.91 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 0.41 0.00 0.00 0.79 0.00 0.00 134 A 8.56 4.73 1.14 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 0.00 0.00 135 R 8.78 4.50 0.00 1.99 1.90 0.00 3.23 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 136 V 8.32 3.96 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 0.80 0.00 0.00 0.92 0.00 0.00