Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2598.77 964 0.2820 8.171797 960.7 1.65 17625.6164116.17 2 2602.291002 0.2886 8.471777 946.5 1.51 16124.4669115.56 3 2614.55 928 0.2899 7.531851 973.2 1.71 17423.5587125.60 4 2622.481026 0.2834 8.531980 1032.2 1.77 18023.1265 86.95 5 2625.71 992 0.2873 8.381848 981.2 1.58 16924.4610107.45 6 2639.11 969 0.2929 7.801795 942.9 1.77 15922.7464120.05 7 2641.77 987 0.2834 8.141864 1002.5 1.86 17925.0552 93.78 8 2648.601007 0.2833 8.001925 1030.7 1.56 17323.9119100.61 9 2658.76 973 0.2852 7.811899 1013.1 1.62 17824.9457117.61 10 2666.79 931 0.2906 8.131836 974.6 1.69 16924.8516120.15 11 2669.48 980 0.2881 8.281923 1009.0 1.66 17123.6167108.98 12 2669.791018 0.2864 9.011888 1011.9 1.68 16924.2238114.23 13 2675.87 875 0.2942 9.111774 945.8 1.79 16524.0276119.27 14 2676.271043 0.2798 8.031927 1045.0 1.66 17325.9370 82.98 15 2685.78 942 0.2898 7.811858 994.6 1.67 16523.6559109.80 16 2709.821012 0.2882 7.991956 1027.2 1.77 18025.8560140.65 17 2710.72 954 0.2902 7.661950 1032.8 1.72 16923.5441 98.95 18 2713.601030 0.2860 8.091952 1045.8 1.78 17324.4960 89.77 19 2717.50 941 0.2913 7.381869 1005.6 1.61 18123.7793124.99 20 2720.481010 0.2820 8.111903 1049.9 2.30 17422.9868118.81 Ave 2663.41 979 0.2871 8.121879 1001.3 1.72 17224.2432110.62 +/- 37.88 41 0.0038 0.42 61 34.0 0.16 6 0.8992 14.25 Min 2598.77 875 0.2798 7.381774 942.9 1.51 15922.7464 82.98 Max 2720.481043 0.2942 9.111980 1049.9 2.30 18125.9370140.65 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HB2 ASP 37 - HD3 PRO 40 5.50 13 0.13 0.45 ++ + + +*+++ + +++ peak 1550 Upper HA PRO 40 - QB ALA 43 4.06 13 0.33 1.09 ++ ++ +++ +* ++ + + peak 1631 Upper HA PRO 40 - HD1 TRP 72 3.61 19 0.77 2.22 +++++++++++ +++++*++ peak 51 Upper HA GLU 41 - HE ARG 44 5.17 20 2.68 3.64 +++++++*++++++++++++ peak 650 Upper H ALA 42 - H ARG 44 4.77 13 0.19 0.48 + + +*++++ +++++ peak 579 Upper HA ALA 43 - QB ARG 46 4.24 7 0.19 1.06 +*+ + + + + peak 1584 Upper HA ALA 43 - QD2 LEU 68 4.29 14 0.67 2.32 ++++++ *+ +++ +++ peak 1582 Upper QB ALA 43 - HG3 ARG 44 5.50 9 0.13 0.48 + + * + ++++ + peak 1824 Upper QB ALA 43 - QB GLN 71 3.68 10 0.22 0.91 + *+++++ ++ + peak 1628 Upper QB ALA 43 - H TRP 72 3.80 20 0.90 2.09 ++++++++++++++++++*+ peak 1652 Upper QB ALA 43 - HE3 TRP 72 4.53 11 0.58 2.19 ++ + +++ + ++ +* peak 125 Upper H ARG 44 - HD3 ARG 44 5.02 13 0.34 0.94 +++ + ++++++ * + + peak 706 Upper H ARG 44 - QD ARG 46 5.50 6 0.09 0.57 +++ +* + peak 712 Upper HA ARG 44 - QE PHE 47 5.50 6 0.15 0.66 + + + + +* peak 1843 Upper HA ARG 44 - H ARG 48 4.69 20 1.00 2.01 ++*+++++++++++++++++ peak 745 Upper HA ARG 44 - HG3 GLU 367 5.50 13 0.50 1.59 ++ * ++++++ + +++ peak 2452 HG3 GLU 67 - HG2 GLN 71 Upper HB3 ARG 44 - HD1 TRP 72 4.14 7 0.26 1.31 + ++ * +++ peak 226 Upper HG3 ARG 44 - HZ2 TRP 72 4.31 15 0.61 1.81 +++ + ++++++ + ++*+ peak 199 Upper HD2 ARG 44 - HZ2 TRP 72 4.69 8 0.44 1.82 + + + + +* ++ peak 185 Upper HD2 ARG 44 - HH2 TRP 72 4.35 15 0.69 1.96 +*+++ ++++ + ++ +++ peak 184 HD2 ARG 70 - HH2 TRP 72 Upper HD2 ARG 44 - QB ARG 370 4.44 20 5.17 6.26 +++++++++*++++++++++ peak 1819 Upper HD3 ARG 44 - HE1 TRP 72 5.41 13 0.47 1.92 +++ +++++ ++*+ + peak 1836 Upper HD3 ARG 44 - HG3 GLU 367 5.17 20 4.57 5.48 +++*++++++++++++++++ peak 1820 Upper HE ARG 44 - HD1 TRP 72 4.98 20 2.44 3.44 ++++++++++*+++++++++ peak 648 Upper HE ARG 44 - HG3 GLU 367 5.44 20 3.72 5.10 +*++++++++++++++++++ peak 653 Upper HE ARG 44 - HD2 ARG 370 5.50 20 3.34 5.16 ++++++++++++++++*+++ peak 2600 Upper HE ARG 44 - HD3 ARG 370 5.41 20 3.68 5.57 ++++++++++++++++*+++ peak 2598 Upper H LEU 45 - HG LEU 45 3.23 14 0.34 1.22 + ++ ++++ ++++*+ + peak 686 Upper H LEU 45 - QD1 LEU 68 5.50 8 0.15 0.56 +++ + +* ++ peak 2513 H GLN 64 - QD1 LEU 68 Upper HA LEU 45 - H CYS 49 4.31 20 2.12 2.55 +++++++*++++++++++++ peak 759 Upper H ARG 46 - QD2 LEU 68 5.30 10 0.21 0.72 + ++ + * ++++ + peak 2532 Upper HA ARG 46 - HB2 CYS 49 5.10 17 0.42 0.89 + ++ +++++++*+++ +++ peak 2002 Upper HA ARG 46 - HB3 CYS 49 4.88 8 0.16 0.50 + + + ++++ * peak 2003 Upper QB ARG 46 - QD2 LEU 68 3.48 19 0.89 1.67 ++ ++++++++++++*++++ peak 2505 Upper HA PHE 47 - QD2 LEU 65 5.50 15 0.46 1.59 ++ ++++++* +++++ + peak 2379 Upper HA PHE 47 - QD1 LEU 68 3.78 6 0.11 0.88 + + + *+ + peak 2486 Upper HB2 PHE 47 - H ARG 48 4.29 6 0.07 0.23 + +++ * + peak 742 Upper QD PHE 47 - HG LEU 65 3.76 17 0.77 1.74 +++++ ++* ++ +++++++ peak 305 Upper QD PHE 47 - QD1 LEU 65 3.95 19 0.87 1.35 ++++++++++ ++*++++++ peak 304 Upper QD PHE 47 - H CYS 69 4.29 15 0.41 1.00 + *+++++ ++ +++++ + peak 200 Upper QD PHE 47 - HB2 CYS 69 4.95 16 1.12 2.23 +++++++++++ +*++ + peak 2547 Upper QD PHE 47 - HB3 CYS 69 5.50 10 0.44 1.71 + + + + + ++ + + * peak 2542 Upper QD PHE 47 - H ARG 70 4.68 20 2.50 3.11 *+++++++++++++++++++ peak 97 Upper QE PHE 47 - QD2 LEU 62 5.32 19 0.71 1.42 ++++ +++++++*+++++++ peak 2310 QE PHE 47 - QD2 LEU 362 Upper QE PHE 47 - HG LEU 65 3.76 9 0.32 0.94 +++ +*+ + + + peak 317 Upper QE PHE 47 - HA VAL 88 3.94 14 0.55 1.18 +* ++ +++ ++ + +++ + peak 95 Upper QE PHE 47 - QG2 VAL 88 4.37 9 0.32 0.94 *+ + + + + +++ peak 316 Upper QE PHE 47 - QB GLU 90 4.97 18 1.04 1.71 +*++++++ +++++++++ + peak 3205 Upper QE PHE 47 - H GLN 91 4.60 19 0.98 1.83 +*++++++++++++++++ + peak 98 Upper QE PHE 47 - H PHE 92 5.50 7 0.16 1.54 + + + * + + + peak 425 Upper QE PHE 47 - HD3 ARG 366 5.47 6 0.13 0.84 + * + + ++ peak 2434 HD3 ARG 66 - H GLU 67 Upper HZ PHE 47 - HE ARG 48 4.82 7 0.21 0.95 + + + ++ + * peak 1346 Upper HZ PHE 47 - HB2 LEU 87 5.09 6 0.07 0.39 + ++++ * peak 3105 H LEU 86 - HB2 LEU 87 Upper HZ PHE 47 - H VAL 88 4.52 18 1.03 1.76 +*+++ ++++++++++++ + peak 321 Upper HZ PHE 47 - HA VAL 88 3.37 15 0.37 1.22 ++*++ +++ ++ + +++ + peak 88 Upper HZ PHE 47 - H GLN 91 4.22 18 0.88 1.54 +*++++++++++ +++++ + peak 1150 Upper HZ PHE 47 - HA GLN 91 4.42 17 1.17 2.08 ++ ++++++++*++ ++++ peak 87 Upper HZ PHE 47 - HD2 ARG 366 4.80 20 5.69 7.51 ++*+++++++++++++++++ peak 285 Upper HA ARG 48 - QD ARG 48 3.89 7 0.12 0.74 ++ ++ * + + peak 1185 Upper H CYS 49 - HB2 PHE 50 5.41 8 0.10 0.35 + ++ + *+ ++ peak 2026 Upper H PHE 50 - QD2 LEU 65 4.28 17 0.63 1.37 ++ ++++++ +++++*+++ peak 779 Upper HA PHE 50 - QD2 LEU 65 4.94 12 0.48 1.53 ++ ++ +++ +* + ++ peak 2035 Upper HB2 PHE 50 - QD1 LEU 68 5.50 18 1.23 2.39 + ++ ++*++++++++++++ peak 2013 Upper HB3 PHE 50 - QD1 LEU 65 5.50 12 0.25 0.68 ++ ++ +++ ++ + *+ peak 2010 Upper HB3 PHE 50 - QD1 LEU 68 4.82 19 0.88 1.67 +++++++*+ ++++++++++ peak 2498 Upper HB3 PHE 50 - QB ALA 95 4.79 12 0.45 1.28 +* ++ +++ ++ + ++ peak 2008 Upper QD PHE 50 - HB3 GLN 64 3.90 12 0.36 1.97 ++ ++ + + ++++ *+ peak 276 Upper QD PHE 50 - QD1 LEU 65 3.56 16 1.01 2.02 ++ ++++++ ++++ *+++ peak 284 Upper QD PHE 50 - QB ALA 95 3.01 13 0.96 2.86 +* ++ +++ ++ + +++ peak 278 Upper QD PHE 50 - QB ALA 395 3.02 6 0.17 1.38 ++ * + + + peak 8165 Upper QE PHE 50 - HA TYR 52 3.66 14 0.81 2.20 ++ ++ ++ ++++ +*+ + peak 72 Upper QE PHE 50 - QB TYR 52 4.56 9 0.50 1.95 *+ + ++ + + ++ peak 262 Upper QE PHE 50 - H GLU 53 5.50 12 0.40 1.23 ++ ++ ++ ++ * +++ peak 797 Upper QE PHE 50 - H LEU 62 4.93 6 0.09 0.46 + + + * + + peak 78 Upper QE PHE 50 - HG LEU 65 4.06 20 1.65 3.05 +++++++++++++++*++++ peak 270 Upper QE PHE 50 - QD1 LEU 65 3.99 16 1.25 2.46 +* ++++++ ++++ ++++ peak 271 Upper QE PHE 50 - QB ALA 95 4.84 6 0.12 0.56 +* + + ++ peak 267 QB ALA 95 - QE PHE 350 Upper H HIS 51 - HB2 GLN 64 5.12 19 0.99 2.13 ++++++++++++ +++++*+ peak 786 Upper H HIS 51 - QB ALA 95 5.08 6 0.18 0.99 + *+ + + + peak 787 QB ALA 95 - H HIS 351 Upper HB2 HIS 51 - HB3 GLU 360 4.80 20 6.70 9.01 +++++++++++*++++++++ peak 2049 Upper HB2 HIS 51 - QB ALA 395 5.20 8 0.48 1.58 + *+ + + + ++ peak 2051 Upper HD2 HIS 51 - HA TYR 52 5.08 18 0.39 1.12 + +++++++++ ++++++*+ peak 69 Upper HD2 HIS 51 - QG GLU 53 4.21 8 0.16 0.65 ++ +* ++ ++ peak 2089 Upper HE1 HIS 51 - HA GLU 53 4.36 16 0.53 1.18 + ++ +++*++ +++++++ peak 64 Upper HE1 HIS 51 - HB3 GLU 53 4.46 12 0.26 1.21 ++ ++ +++ ++ ++ * peak 260 Upper HE1 HIS 51 - QG GLU 53 3.86 7 0.09 0.33 + + +*+ + + peak 258 Upper H TYR 52 - HB3 GLU 360 5.36 20 6.11 7.49 +++++++++++++++++*++ peak 794 Upper QB TYR 52 - HA LEU 96 4.90 11 0.21 0.70 + ++ + + ++ + ++* peak 3343 Upper QB TYR 52 - QD2 LEU 96 4.27 16 0.87 1.97 ++ ++ ++++++ *+++++ peak 1749 Upper QB TYR 52 - HD3 PRO 97 5.50 13 0.80 1.66 ++ ++ *++ ++ + +++ peak 3382 Upper QB TYR 52 - QD2 LEU 396 4.18 9 0.82 2.75 ++ ++ + + * ++ peak 8179 Upper QD TYR 52 - HA GLU 54 4.90 12 0.31 0.88 + + +++ + +*++++ peak 2184 Upper QD TYR 52 - QG GLU 54 5.21 12 0.19 0.47 + + ++++ + + *++ + peak 2191 Upper QD TYR 52 - H THR 56 4.34 15 0.88 2.52 + ++ +++++ +*+++++ peak 63 Upper QD TYR 52 - HB3 PRO 58 3.56 13 0.55 1.99 ++++ + +*+++ +++ peak 245 Upper QD TYR 52 - H ALA 61 5.50 9 0.27 1.12 + +++ *++ ++ peak 870 Upper QD TYR 52 - HB3 LEU 96 3.49 14 1.03 1.94 ++ ++ *++ ++++ +++ peak 249 QD TYR 52 - QD1 ILE 100 Upper QD TYR 52 - QD1 LEU 96 5.40 13 0.40 0.91 +* ++ +++ ++ + +++ peak 251 Upper QD TYR 52 - HG3 PRO 97 5.50 13 0.74 1.45 ++ ++ +++ ++ + ++* peak 3432 Upper QD TYR 52 - HD3 PRO 97 4.62 11 0.28 0.82 + ++ *++ ++ + ++ peak 241 Upper QD TYR 52 - QD1 ILE 100 4.80 13 1.03 1.94 ++ ++ ++* ++ + +++ peak 3486 Upper QD TYR 52 - QB ALA 395 3.68 8 0.17 0.78 ++ + *+ + + + peak 8175 Upper QD TYR 52 - QD2 LEU 396 3.70 8 0.41 1.72 ++ + + + * ++ peak 8183 Upper QD TYR 52 - QD1 ILE 400 4.11 7 0.69 2.40 + + + * + ++ peak 8115 Upper QE TYR 52 - QG GLU 53 5.50 7 0.12 0.61 ++ + + + +* peak 2087 Upper QE TYR 52 - HA GLU 54 3.97 10 0.22 1.24 + + ++ + +*++ + peak 2183 Upper QE TYR 52 - QB GLU 54 5.50 10 0.14 0.43 + + *+ + +++++ peak 2193 Upper QE TYR 52 - QG GLU 54 3.21 14 0.32 0.73 ++ ++ *++ ++ + +++ + peak 231 QE TYR 52 - HG2 PRO 97 Upper QE TYR 52 - QG GLU 54 4.16 10 0.19 0.58 + + +++ + + *++ peak 2190 Upper QE TYR 52 - QG2 THR 56 4.90 12 0.23 0.70 ++ ++* + + ++++ + peak 236 QG2 THR 56 - QE TYR 352 Upper QE TYR 52 - QG2 THR 56 5.06 17 0.46 1.67 +++++++++ + ++++++* peak 1769 QE TYR 52 - QG2 THR 356 Upper QE TYR 52 - HB3 PRO 58 3.38 20 0.96 1.59 +++++++++++++++++++* peak 232 Upper QE TYR 52 - HB3 LEU 96 3.42 13 0.37 0.87 +* ++ +++ ++ + +++ peak 237 QE TYR 52 - QD1 ILE 100 Upper QE TYR 52 - QD1 LEU 96 4.57 20 0.62 1.57 +++++++++++++++++++* peak 239 Upper QE TYR 52 - QD1 ILE 100 3.98 13 0.58 1.34 +* ++ +++ ++ + +++ peak 3485 Upper QE TYR 52 - QG1 VAL 119 5.50 14 0.88 2.41 ++ ++ +++ +* +++++ peak 3975 Upper QE TYR 52 - QG2 VAL 119 3.49 20 1.93 3.06 ++++++++++*+++++++++ peak 238 Upper QE TYR 52 - QD ARG 123 5.27 19 1.58 2.27 +++++*+++++++++++++ peak 4040 Upper QE TYR 52 - QB ALA 395 4.34 17 0.93 1.96 +++++ *++ ++ +++++++ peak 8176 Upper QE TYR 52 - QD1 ILE 400 3.73 7 0.33 1.22 + + + + + *+ peak 8114 Upper QE TYR 52 - QG2 VAL 419 3.65 17 0.93 2.67 ++++++++ ++ ++*+ +++ peak 8189 Upper HB2 GLU 53 - QG2 THR 56 4.17 12 0.40 1.26 + ++ + + + +++*++ peak 2582 Upper HB3 GLU 53 - HB THR 56 4.86 8 0.26 1.33 ++ *+ + + ++ peak 2101 Upper HB3 GLU 53 - QG2 THR 56 5.20 9 0.33 1.41 ++ ++ + + + *+ peak 2081 Upper QG GLU 53 - HA GLU 54 5.50 14 0.33 0.69 ++* ++ ++ +++ ++ ++ peak 2085 Upper QG GLU 53 - QB ALA 55 3.62 15 0.51 1.30 ++++++ +*+ ++ ++ ++ peak 2077 Upper QG GLU 53 - H GLY 57 4.13 11 0.43 2.08 ++ ++ +* ++ + ++ peak 823 Upper HA GLU 54 - H GLY 57 4.95 7 0.19 1.85 ++ +* + + + peak 2185 Upper HA ALA 55 - H GLY 57 5.42 9 0.25 0.94 ++ + +* + +++ peak 2124 Upper QG2 THR 56 - HE21 GLN 64 5.07 10 0.31 1.59 + + + +++ + + +* peak 919 Upper QG2 THR 56 - HE22 GLN 64 5.32 6 0.23 1.47 ++ + + + * peak 928 Upper H GLY 57 - HG3 GLU 60 4.75 13 0.40 1.10 + + +++++ + +++*+ peak 824 Upper H GLY 57 - HG2 PRO 397 4.76 19 1.33 2.85 ++ +++++++++++*+++++ peak 825 Upper H GLY 57 - HD2 PRO 397 5.07 11 0.40 1.40 + ++ ++++ +* + + peak 3428 Upper HA2 GLY 57 - H GLN 59 4.09 19 0.62 1.35 ++++ *++++++++++++++ peak 831 Upper HA2 GLY 57 - HE21 GLN 59 5.01 18 0.92 1.58 *+++++++++++ ++++++ peak 845 HE21 GLN 59 - HA ALA 117 Upper HA3 GLY 57 - H GLN 59 4.54 19 0.97 1.35 ++++++++++++++*++++ peak 170 Upper HA PRO 58 - QB ALA 61 4.23 6 0.10 0.65 +* + + ++ peak 1605 Upper HA PRO 58 - QB ALA 116 5.49 18 1.00 2.17 ++++++*+++++ ++++++ peak 1625 Upper HB2 PRO 58 - HZ PHE 92 4.53 12 0.87 2.25 + ++ +++ ++ + +*+ peak 168 Upper HB2 PRO 58 - HA ALA 116 4.32 17 1.74 3.28 ++++++*++ ++ ++++++ peak 2136 Upper HB2 PRO 58 - QB ALA 116 4.18 12 0.46 1.43 +++*+++ +++ ++ peak 2132 QB ALA 116 - HB2 PRO 358 Upper HB2 PRO 58 - QG2 VAL 119 4.36 17 0.91 1.79 ++ ++ +++ ++++++*+++ peak 2131 Upper HB2 PRO 58 - HA ALA 416 4.33 19 1.34 2.99 ++++++++++++++++++* peak 8259 Upper HB2 PRO 58 - QB ALA 416 4.46 18 0.95 2.15 +++++++++++++ ++++* peak 8262 Upper HB3 PRO 58 - HZ PHE 92 3.61 14 1.01 2.05 ++ ++ ++* ++++ +++ peak 170 Upper HB3 PRO 58 - QB ALA 116 3.23 15 0.41 1.18 + +++++* ++ + +++++ peak 1620 QB GLN 59 - QB ALA 116 Upper HB3 PRO 58 - QB ALA 116 3.67 16 0.83 2.28 *+ ++++++ ++ ++++++ peak 2138 Upper HB3 PRO 58 - QG1 VAL 119 4.38 19 1.02 1.70 ++++++++++++ +++*+++ peak 2139 Upper HB3 PRO 58 - QG2 VAL 119 4.05 19 1.15 1.72 ++++++++++++ +++*+++ peak 2140 Upper HB3 PRO 58 - HA ALA 416 3.72 20 1.71 2.65 ++++++++++++*+++++++ peak 8252 Upper HB3 PRO 58 - QB ALA 416 3.94 20 0.98 2.26 ++++++++++++*+++++++ peak 8257 Upper HG2 PRO 58 - HZ PHE 92 3.74 19 1.84 3.00 ++++++++*+++++++++ + peak 169 Upper HG2 PRO 58 - QB ALA 116 3.72 19 0.86 1.72 ++++++++*+++ +++++++ peak 1621 Upper HG2 PRO 58 - QD1 ILE 400 3.84 15 1.66 2.74 ++ +* +++ ++++ +++ + peak 8117 Upper HG3 PRO 58 - QD1 ILE 400 3.84 14 0.97 2.84 ++ ++ ++* ++++ +++ peak 8116 Upper HD2 PRO 58 - HE21 GLN 59 5.50 8 0.19 1.28 + * ++ + +++ peak 846 HD2 PRO 58 - HE21 GLN 359 Upper HD2 PRO 58 - QG2 VAL 119 5.41 7 0.37 1.54 + + + + * ++ peak 2145 QG2 VAL 119 - HD2 PRO 358 Upper HD2 PRO 58 - QG2 VAL 119 4.07 11 0.24 0.80 + ++ ++ *+ + +++ peak 1760 HD2 PRO 58 - QG2 VAL 419 HA LEU 96 - QG2 VAL 119 Upper HD3 PRO 58 - HE21 GLN 59 5.50 12 0.62 1.61 ++ + ++* ++ + +++ peak 843 HD3 PRO 58 - HE21 GLN 359 Upper HD3 PRO 58 - HE22 GLN 59 5.50 16 0.55 1.62 ++ ++++++ ++ *+++++ peak 866 HD3 PRO 58 - HE22 GLN 359 Upper HD3 PRO 58 - QG2 VAL 119 4.18 7 0.49 2.25 + + + + + +* peak 2156 QG2 VAL 119 - HD3 PRO 358 Upper HD3 PRO 58 - QG2 VAL 119 3.84 16 0.77 1.33 ++ ++++++ *+ ++++++ peak 1758 HD3 PRO 58 - QG2 VAL 419 Upper HD3 PRO 58 - HB3 LEU 396 4.27 16 1.18 2.40 + ++++ ++++* ++++++ peak 8242 Upper H GLN 59 - HE21 GLN 59 4.61 8 0.18 0.94 +* + ++ ++ + peak 163 HE21 GLN 59 - H GLN 359 Upper H GLN 59 - H ALA 61 4.49 7 0.17 1.34 ++++ + + * peak 162 Upper H GLN 59 - HB2 LEU 62 4.88 9 0.20 1.27 + + + + * ++ + + peak 838 Upper H GLN 59 - HG LEU 62 4.91 20 1.51 2.55 ++++++++*+++++++++++ peak 839 Upper H GLN 59 - QD1 LEU 62 3.98 16 0.56 1.89 + +*++++++ +++++ ++ peak 8308 Upper H GLN 59 - QD1 LEU 62 4.22 6 0.11 0.64 ++ + + * + peak 2305 QD1 LEU 62 - H ALA 116 Upper H GLN 59 - QG2 VAL 119 5.05 7 0.49 2.15 + + + + + +* peak 841 QG2 VAL 119 - H GLN 359 Upper H GLN 59 - QD2 LEU 362 4.27 20 1.62 2.91 ++++++++*+++++++++++ peak 8218 Upper H GLN 59 - HA LEU 396 5.50 6 0.07 0.28 + +* + + + peak 3367 HA LEU 96 - H GLN 101 Upper H GLN 59 - QB ALA 416 3.58 17 1.83 3.53 ++++++++* ++ ++++++ peak 8135 Upper HA GLN 59 - HG3 GLN 59 3.85 6 0.08 0.34 * + + + + + peak 2203 HA GLN 59 - HG3 GLN 359 Upper HA GLN 59 - HE22 GLN 59 4.59 9 0.19 1.04 +* + + ++++ + peak 867 HA GLN 59 - HE22 GLN 359 Upper HA GLN 59 - QB ALA 116 3.95 16 0.29 0.83 +++++ ++++ +*+ ++++ peak 2197 Upper HA GLN 59 - QD2 LEU 362 3.40 15 1.05 2.39 ++ +++++* ++ +++ + + peak 8214 Upper QB GLN 59 - H ALA 63 4.06 20 0.92 2.18 +++++++++++++*++++++ peak 897 Upper QB GLN 59 - QB ALA 116 3.13 12 0.61 1.67 + ++ +++ ++ * +++ peak 8137 QB GLN 59 - QB ALA 416 Upper QB GLN 59 - H ALA 117 4.06 20 3.46 5.23 +++++++++++++++++++* peak 1292 Upper HG2 GLN 59 - QB ALA 116 4.09 7 0.27 1.32 * + + + + ++ peak 2206 QB ALA 116 - HG2 GLN 359 Upper HG3 GLN 59 - QD2 LEU 62 4.08 8 0.30 1.12 + + *+ + ++ + peak 8211 HG3 GLN 59 - QD2 LEU 362 HG2 GLU 113 - QD2 LEU 362 Upper HG3 GLN 59 - QB ALA 116 4.01 6 0.28 1.30 * + + + ++ peak 2205 QB ALA 116 - HG3 GLN 359 Upper HG3 GLN 59 - QB ALA 116 3.59 14 0.61 1.83 +++ + + *+++++ +++ peak 1622 Upper HG3 GLN 59 - H LEU 362 4.45 17 0.68 1.50 +++++++*+ +++ +++ ++ peak 880 Upper HG3 GLN 59 - H ALA 363 4.49 20 2.02 3.11 ++++++++++++++++++*+ peak 896 Upper HE21 GLN 59 - QD2 LEU 62 5.15 18 0.97 1.60 +++*++ ++++++++++ ++ peak 853 QD2 LEU 62 - HE21 GLN 359 Upper HE22 GLN 59 - H ALA 116 5.02 7 0.09 0.31 ++ ++ + * + peak 965 QD PHE 92 - H ALA 116 Upper HE22 GLN 59 - HA ALA 117 4.84 19 1.27 2.69 *++++++++++++ ++++++ peak 868 Upper HE22 GLN 59 - H VAL 119 5.50 13 0.51 1.67 + *+ + +++++ + +++ peak 627 HZ PHE 92 - H VAL 119 Upper HE22 GLN 59 - HB VAL 119 4.66 19 1.28 2.76 ++*+ +++++++++++++++ peak 3966 HZ PHE 92 - HB VAL 119 Upper HE22 GLN 59 - QG1 VAL 119 4.00 6 0.11 0.49 * + ++ + + peak 3972 QD PHE 92 - QG1 VAL 119 HZ PHE 92 - QG1 VAL 119 Upper HE22 GLN 59 - QG2 VAL 119 3.97 16 0.65 1.54 +++++++ + +* ++++++ peak 3976 HZ PHE 92 - QG2 VAL 119 Upper HE22 GLN 59 - H ASP 120 5.33 18 1.54 4.51 ++++++++ ++++ +++++* peak 628 Upper H GLU 60 - HA ALA 61 5.50 6 0.07 0.30 ++ + + * + peak 2256 Upper H GLU 60 - QB ALA 63 5.00 10 0.50 1.67 + +* + ++++ ++ peak 863 Upper HA GLU 60 - QB ALA 63 3.47 13 0.52 1.93 +++ +* + + ++++ ++ peak 2225 Upper HA GLU 60 - H GLN 64 4.20 19 0.92 1.93 ++++++++++ +*+++++++ peak 2247 Upper HB3 GLU 60 - H ALA 61 3.58 9 0.25 0.83 ++ ++ + + +* + peak 2252 Upper HB3 GLU 60 - HE22 GLN 64 4.44 17 0.73 1.98 ++ ++++*++++++++++ peak 925 Upper HB3 GLU 60 - HB2 HIS 351 4.80 10 0.64 3.20 + + ++ ++ + ++* peak 2049 Upper HG2 GLU 60 - H GLN 64 5.17 12 0.48 1.79 ++++ ++ ++ *+ ++ peak 2244 Upper HG3 GLU 60 - HE21 GLN 64 4.29 13 0.35 1.30 +++*++ + ++ ++ ++ peak 914 Upper HG3 GLU 60 - HE22 GLN 64 4.71 9 0.28 1.52 +++* ++ ++ + peak 2237 Upper H ALA 61 - QD2 LEU 62 4.39 20 1.47 2.23 ++++++++++*+++++++++ peak 8217 Upper HA ALA 61 - HB3 GLN 64 3.83 10 0.25 1.06 +++ + + *++ + + peak 2332 Upper HA ALA 61 - HG3 GLN 64 3.84 15 0.68 1.84 ++ +++ +++++ + +++* peak 2349 Upper QB ALA 61 - QD1 LEU 62 3.65 13 0.28 0.71 +++ +++ + + *++ ++ peak 2274 QB ALA 61 - QD1 LEU 362 QD1 LEU 62 - HB3 PRO 112 Upper QB ALA 61 - QD2 LEU 62 3.62 17 0.75 1.48 ++++ +++ +++*++++ ++ peak 8209 QB ALA 61 - QD2 LEU 362 Upper QB ALA 61 - HB2 LEU 65 4.13 17 0.64 1.68 ++ ++++++++++++++* peak 8142 Upper QB ALA 61 - QD PHE 392 3.25 9 0.62 2.26 +++ + + + + *+ peak 8145 Upper QB ALA 61 - QE PHE 392 3.19 20 1.65 3.39 ++++++++++++++++++*+ peak 8146 Upper H LEU 62 - HG LEU 62 4.01 8 0.17 0.61 *+ ++ + ++ + peak 2300 H LEU 62 - HG LEU 362 Upper H LEU 62 - HG2 GLN 64 5.50 12 0.30 1.13 + ++ ++ ++ + ++*+ peak 879 Upper H LEU 62 - QG1 VAL 88 4.76 20 1.73 2.67 +*++++++++++++++++++ peak 886 Upper H LEU 62 - QB ALA 116 4.82 9 0.55 1.70 *+ + + + + +++ peak 1661 H LEU 93 - QB ALA 416 Upper H LEU 62 - QB GLN 359 4.02 20 2.34 3.58 ++++++++++++*+++++++ peak 881 Upper H LEU 62 - HG3 GLN 359 4.45 20 2.28 4.30 +++++++*++++++++++++ peak 880 Upper HA LEU 62 - H LEU 65 3.93 12 0.30 1.24 ++ + + +++ +++ +* peak 203 Upper HA LEU 62 - QG1 VAL 88 3.25 19 1.14 2.02 ++++*+++++++ +++++++ peak 8202 Upper HB2 LEU 62 - H ALA 116 5.22 20 1.90 3.23 +++++++++++++++++++* peak 2295 Upper HB3 LEU 62 - H ALA 63 3.57 14 0.35 0.92 ++ + ++ +* +++ ++++ peak 901 Upper HB3 LEU 62 - QG1 VAL 88 3.89 6 0.11 0.72 ++* + + + peak 8197 QG1 VAL 88 - HB3 LEU 89 Upper HB3 LEU 62 - HA PRO 112 4.02 20 2.43 4.27 ++*+++++++++++++++++ peak 1873 Upper HB3 LEU 62 - HD2 PRO 112 5.50 13 0.46 1.44 + +++ +++ ++++* + peak 3774 HB3 LEU 89 - HD2 PRO 112 Upper HB3 LEU 62 - H PHE 392 4.60 8 0.22 1.34 + ++* + + + + peak 1168 HB3 LEU 65 - H PHE 92 Upper HG LEU 62 - HG2 GLU 113 5.06 18 1.15 2.67 +++++++++++++*+++ + peak 3840 HG LEU 62 - HG2 GLU 413 Upper QD1 LEU 62 - H LEU 65 5.50 19 1.20 1.79 +++ +++++++++++++++* peak 2306 Upper QD1 LEU 62 - QG1 VAL 88 3.83 19 0.93 1.77 +++++++++*++ +++++++ peak 2270 QG1 VAL 88 - QD1 LEU 362 Upper QD1 LEU 62 - HG2 PRO 112 5.50 7 0.13 0.78 + + + ++ + * peak 3750 QD1 LEU 62 - HG2 PRO 412 Upper QD1 LEU 62 - HG3 GLU 113 4.54 13 0.76 1.99 ++ + +++ *+++ +++ peak 3835 QD1 LEU 62 - HG3 GLU 413 Upper QD1 LEU 62 - H ALA 115 4.79 20 1.34 2.86 +++++*++++++++++++++ peak 1288 Upper QD1 LEU 62 - H ALA 116 4.44 7 0.38 1.45 * + + + + ++ peak 978 Upper QD1 LEU 62 - HA ALA 116 4.63 13 0.56 1.47 +++++ ++ * ++ +++ peak 3885 Upper QD1 LEU 62 - QB ALA 116 3.07 11 0.30 1.25 ++++ ++ * + +++ peak 1619 Upper QD1 LEU 62 - H ALA 117 5.09 16 1.08 2.83 +*++++ +++++ ++ +++ peak 1299 Upper QD1 LEU 62 - QG1 VAL 388 3.35 9 0.24 1.39 ++ + + ++ *++ peak 8300 Upper QD1 LEU 62 - HZ PHE 392 3.71 11 0.40 2.57 +++* ++ ++ + + + peak 8306 Upper QD1 LEU 62 - HB2 PRO 412 4.17 7 0.22 1.00 + + ++ *+ + peak 8265 Upper QD1 LEU 62 - HB3 PRO 412 4.32 12 0.28 0.86 ++ ++ ++ *+ + +++ peak 8267 Upper QD2 LEU 62 - H VAL 88 5.13 20 1.86 2.50 +*++++++++++++++++++ peak 1124 Upper QD2 LEU 62 - QG1 VAL 88 3.06 12 0.23 0.85 ++ ++ + +++ +* + + peak 8207 Upper QD2 LEU 62 - QG2 VAL 88 3.77 19 0.74 1.51 ++++++++++++ *++++++ peak 3148 Upper QD2 LEU 62 - H LEU 89 4.33 20 1.12 1.71 +++++++++++++*++++++ peak 2314 Upper QD2 LEU 62 - HA LEU 89 4.66 20 0.88 1.36 ++++++++++*+++++++++ peak 3177 Upper QD2 LEU 62 - H GLN 91 5.15 13 0.57 2.07 + ++ + +++ *++ + ++ peak 2312 H GLN 91 - QD2 LEU 362 Upper QD2 LEU 62 - H PHE 92 4.60 6 0.26 1.71 + + * + ++ peak 2317 H PHE 92 - QD2 LEU 362 Upper QD2 LEU 62 - HA PRO 112 4.33 7 0.19 1.25 + ++ + *+ + peak 3746 Upper QD2 LEU 62 - HG3 PRO 112 4.18 13 0.62 1.68 +++++ +++ ++ + + * peak 3747 Upper QD2 LEU 62 - HG2 GLU 113 5.50 6 0.13 0.64 + +* + + + peak 3833 QD2 LEU 62 - HG2 GLU 413 Upper QD2 LEU 62 - HG3 GLU 113 4.95 18 0.51 1.12 ++++++++++ +++ ++*++ peak 3834 QD2 LEU 62 - HG3 GLU 413 Upper QD2 LEU 62 - H GLN 359 4.27 20 2.78 3.80 +++++++++*++++++++++ peak 8218 Upper QD2 LEU 62 - HA GLN 359 3.40 20 1.85 3.26 +++++++++*++++++++++ peak 8214 Upper QD2 LEU 62 - QE PHE 392 3.80 19 0.77 1.31 ++*++++++++++ ++++++ peak 8216 Upper QD2 LEU 62 - HB2 PRO 412 3.97 9 0.22 0.75 +* + ++ ++ + + peak 8264 Upper QD2 LEU 62 - HG3 PRO 412 4.00 17 1.09 2.31 +++++ ++* ++++ +++++ peak 8268 Upper H ALA 63 - HG3 GLN 359 4.49 20 3.18 4.80 +++++++++++++*++++++ peak 896 Upper HA ALA 63 - H ARG 66 4.23 15 0.47 1.46 +++++ +++ ++++ ++* peak 2319 Upper HA ALA 63 - QG ARG 66 5.04 6 0.13 0.87 ++ ++ +* peak 2418 HA GLN 64 - QG ARG 66 Upper HA ALA 63 - HD2 ARG 66 5.43 8 0.27 1.60 ++ * + + ++ + peak 2422 Upper HA ALA 63 - HD3 ARG 66 5.50 8 0.34 1.86 +* ++ + + ++ peak 2421 Upper QB ALA 63 - H GLN 64 2.97 7 0.08 0.38 + + + + + *+ peak 1697 Upper QB ALA 63 - HG2 GLN 64 3.90 8 0.43 1.96 ++ ++ + *+ + peak 2321 Upper QB ALA 63 - HE21 GLN 64 4.77 8 0.12 0.41 *+ ++ ++ ++ peak 917 Upper QB ALA 63 - HE22 GLN 64 5.50 16 0.51 1.00 ++ +++++++++ *+ + ++ peak 926 Upper QB ALA 63 - HG2 GLU 113 4.83 20 3.08 5.94 ++*+++++++++++++++++ peak 3841 Upper H GLN 64 - HG3 GLN 64 3.51 10 0.24 0.89 ++ + + + ++ + + * peak 908 Upper H GLN 64 - HE21 GLN 64 4.85 6 0.08 0.43 + +* + ++ peak 188 Upper H GLN 64 - HE22 GLN 64 5.50 16 0.38 0.94 ++ +++++*+++ + +++ + peak 388 Upper HA GLN 64 - HG2 GLU 67 4.36 14 0.42 1.61 ++ + ++++++*++ ++ peak 2454 Upper HA GLN 64 - HG3 GLU 67 4.41 19 1.20 2.18 +++ ++++++++++*+++++ peak 2453 Upper HG2 GLN 64 - H LEU 65 4.58 12 0.24 0.60 ++ *+ +++ + + + ++ peak 2340 Upper HG3 GLN 64 - QD1 LEU 68 4.78 11 0.80 2.14 ++ ++ +++ + *+ + peak 2499 Upper H LEU 65 - HB2 LEU 65 3.44 9 0.09 0.37 ++ +++ +*+ + peak 930 Upper H LEU 65 - HG2 GLU 67 5.50 14 0.49 1.35 ++ ++++ + ++*+ + ++ peak 2478 Upper HB2 LEU 65 - QG1 VAL 88 4.00 11 0.56 1.83 + ++ ++* + + +++ peak 2365 Upper HB2 LEU 65 - QG1 VAL 88 3.20 7 0.22 1.08 +* + + + ++ peak 3146 QG PRO 75 - QG1 VAL 377 QB GLU 76 - QG1 VAL 77 Upper HB3 LEU 65 - QG1 VAL 88 3.97 7 0.16 0.86 ++ +* + ++ peak 2364 Upper HG LEU 65 - H GLU 67 5.40 7 0.16 0.95 * ++ + + + + peak 956 H GLU 67 - QD2 LEU 68 Upper QD1 LEU 65 - HA ARG 66 3.99 18 0.81 1.53 ++++++++++ ++++ +++* peak 2431 HA ARG 66 - QD1 LEU 87 Upper QD1 LEU 65 - QG ARG 66 4.13 8 0.22 1.32 + + + + +++ * peak 8283 QG ARG 66 - QD1 LEU 365 Upper QD1 LEU 65 - H GLU 67 5.50 12 0.45 1.59 + ++*++++ ++ ++ peak 957 Upper QD1 LEU 65 - HB2 PHE 92 4.16 9 0.19 1.01 + + +++ ++ + * peak 8286 Upper QD1 LEU 65 - QD PHE 92 3.57 9 0.19 1.02 + + ++ ++* ++ peak 2395 Upper QD1 LEU 65 - QB ALA 95 3.86 14 0.57 1.59 ++ ++ +++ *+ + ++++ peak 1712 Upper QD1 LEU 65 - QG1 VAL 388 3.65 8 0.52 2.21 +++ + + + * + peak 8282 Upper QD1 LEU 65 - QD PHE 392 3.30 15 0.85 2.81 ++++ + + *+++ +++ ++ peak 8289 Upper QD2 LEU 65 - HA VAL 88 5.17 17 1.02 1.84 *++++++++ ++ +++++ + peak 3140 Upper QD2 LEU 65 - H GLN 91 5.50 16 0.96 1.73 *+ ++++++ ++ +++++ + peak 1153 Upper QD2 LEU 65 - HG2 GLN 91 3.53 15 0.76 1.68 +++++ +++ +* + +++ + peak 8296 Upper QD2 LEU 65 - HB3 PHE 92 4.23 15 0.56 2.82 +++++ +++ ++* +++ + peak 2360 Upper QD2 LEU 65 - QD PHE 92 4.14 15 0.55 1.87 +++ + +++ ++++ *++ + peak 2402 Upper QD2 LEU 65 - QB ALA 95 3.88 10 0.24 0.96 ++ ++ + ++ * ++ peak 8295 Upper H ARG 66 - QG ARG 66 3.60 7 0.14 0.56 ++ ++ *+ + peak 942 Upper H ARG 66 - HD3 ARG 66 5.04 6 0.10 0.79 *+ ++ + + peak 2439 Upper H ARG 66 - H GLU 67 3.35 12 0.20 0.55 +++ + ++* + + +++ peak 209 Upper H ARG 66 - QG1 VAL 88 4.61 7 0.21 1.59 *+ ++ + + + peak 945 Upper H ARG 66 - QG2 VAL 88 3.86 11 0.37 1.80 +* +++ + + ++++ peak 944 Upper HA ARG 66 - QD2 LEU 87 4.15 11 0.33 1.01 ++ *+ ++ + +++ + peak 8226 Upper HA ARG 66 - QG2 VAL 88 3.02 7 0.27 0.95 + +++ * + + peak 8234 Upper HA ARG 66 - QB LEU 384 4.22 19 1.99 2.96 ++++*+++++++++++++ + peak 8248 Upper QB ARG 66 - H VAL 88 5.50 11 0.33 1.55 ++ ++ + ++ *+++ peak 2448 H VAL 88 - QB ARG 366 Upper QB ARG 66 - QG1 VAL 88 3.19 18 0.99 2.16 ++ ++++++++++++++*+ peak 3147 Upper QB ARG 66 - QG2 VAL 88 3.18 10 0.29 1.11 + +++ + + +*++ peak 3145 Upper QG ARG 66 - HG2 GLU 67 4.63 15 0.86 2.34 + +++ ++++ ++*+ +++ peak 2456 Upper QG ARG 66 - HG3 GLU 67 5.00 16 0.79 1.61 +++ ++++ +++++*+++ peak 2459 Upper QG ARG 66 - QG1 VAL 88 3.72 18 1.38 2.57 + ++++*++++++++++++ peak 8198 Upper QG ARG 66 - QG2 VAL 88 3.97 10 0.31 1.90 + ++ +++ *+ + + peak 3144 Upper HD2 ARG 66 - QG2 VAL 88 4.53 12 0.58 1.73 + + +++++ *+ + ++ peak 3150 Upper HD2 ARG 66 - HZ PHE 347 4.80 13 0.65 3.16 ++++++ ++ +++*+ peak 285 Upper H GLU 67 - HG2 GLU 67 3.90 7 0.19 0.90 + + * + ++ + peak 950 Upper H GLU 67 - HG3 GLU 67 4.10 7 0.14 0.65 + ++ + ++ * peak 2468 Upper HA GLU 67 - H GLN 71 4.35 16 0.78 1.93 ++++++++++ ++*+ + + peak 2481 Upper QB GLU 67 - QD2 LEU 68 4.06 16 0.72 1.45 + ++++++++ ++++*++ peak 2463 Upper HG2 GLU 67 - HE21 GLN 71 4.82 17 0.56 1.35 ++++++++++ + +++ ++* peak 2473 Upper HG2 GLU 67 - HE22 GLN 71 5.50 15 0.45 1.87 +++ +++++ + +++++* peak 2471 Upper HG3 GLU 67 - HE21 GLN 71 4.27 11 0.24 0.91 + +++ ++ + + ++* peak 2469 Upper HG3 GLU 67 - HE ARG 344 5.44 9 0.27 1.55 ++ ++ + ++ *+ peak 653 Upper H LEU 68 - QD2 LEU 68 3.55 11 0.21 0.61 + +++*++++ ++ peak 970 Upper HB2 LEU 68 - H CYS 69 3.75 8 0.14 0.53 + + * + ++ ++ peak 987 Upper QD1 LEU 68 - H CYS 69 4.56 10 0.28 0.95 + ++ ++ + +++* peak 2515 Upper QD2 LEU 68 - H CYS 69 4.55 7 0.20 0.96 + + ++ +* + peak 2535 Upper QD2 LEU 68 - HE22 GLN 71 4.69 7 0.23 1.10 + + + + * ++ peak 281 Upper H CYS 69 - HB2 CYS 69 3.55 6 0.09 0.42 * ++ + ++ peak 984 Upper HA CYS 69 - H TRP 72 4.82 11 0.33 1.51 *+ + + + ++ + +++ peak 247 Upper HA CYS 69 - HB2 TRP 72 5.50 9 0.34 1.46 *+ + + ++ +++ peak 2638 Upper HA CYS 69 - HB3 TRP 72 5.16 6 0.25 1.83 * + + + ++ peak 2637 Upper HA CYS 69 - HE3 TRP 72 4.43 12 0.41 1.19 ++ + +++ ++++ +* peak 123 Upper HA CYS 69 - HZ3 TRP 72 5.06 7 0.13 0.90 + + +* + + + peak 213 Upper HA CYS 69 - HB3 LEU 73 4.04 20 0.92 1.60 ++++++++++++*+++++++ peak 2555 Upper HB2 CYS 69 - HB3 LEU 73 4.36 15 0.63 1.59 +++++ ++ ++*+ ++++ peak 2564 Upper HB3 CYS 69 - HB3 LEU 73 4.33 17 0.96 2.15 +* ++++ +++++++++++ peak 2562 Upper HB3 CYS 69 - HB3 LEU 73 4.23 6 0.13 0.72 + + * + + + peak 2557 HB3 CYS 69 - QG2 VAL 88 Upper HB3 CYS 69 - H VAL 88 4.45 14 0.68 1.49 ++ ++ +++ *+ +++++ peak 1116 Upper HB3 CYS 69 - QG2 VAL 88 3.71 15 0.56 1.61 +++++*+++ +++++ + peak 8232 Upper H ARG 70 - HE3 TRP 72 4.59 7 0.41 1.68 ++ + ++ + * peak 136 Upper H ARG 70 - QD1 LEU 84 4.03 9 0.16 0.55 ++ *+ + + ++ + peak 990 H ARG 70 - QD1 LEU 87 Upper HA ARG 70 - H ARG 74 3.84 8 0.37 1.38 + +++ + * ++ peak 314 Upper HA ARG 70 - QG ARG 74 4.94 11 0.58 1.54 ++ + + + ++*+ ++ peak 2655 Upper HA ARG 70 - HD2 PRO 75 4.19 19 1.24 2.03 +++ +++++*++++++++++ peak 2687 Upper HA ARG 70 - HD3 PRO 75 4.12 16 0.47 1.46 ++ ++++++++* +++++ peak 2688 Upper HA ARG 70 - QD1 LEU 84 3.24 19 0.71 1.25 +++++++++ +*++++++++ peak 2996 Upper QB ARG 70 - H ARG 74 4.26 11 0.24 0.74 ++ + + +*++++ + peak 995 H ARG 74 - QG PRO 75 Upper QB ARG 70 - QD1 LEU 84 3.94 11 0.35 1.05 + +* + + ++ ++++ peak 2573 QB ARG 70 - QD1 LEU 87 Upper QB ARG 70 - HD2 ARG 344 4.44 11 0.27 1.35 ++ ++ ++ *+ + ++ peak 1819 Upper HG2 ARG 70 - H ARG 74 4.60 12 0.50 1.34 ++ ++ + *++++++ peak 3659 Upper HG2 ARG 70 - QD1 LEU 84 3.58 11 0.32 1.16 + +++ + +* +++ + peak 2574 HG2 ARG 70 - QD1 LEU 87 Upper HG3 ARG 70 - H ARG 74 5.50 14 0.85 1.91 ++ ++++ *+++++++ peak 2604 Upper HG3 ARG 70 - QD1 LEU 84 3.90 20 1.16 2.07 +++++++++++*++++++++ peak 2572 HG3 ARG 70 - QD1 LEU 87 Upper HD2 ARG 70 - HH2 TRP 72 4.74 19 1.44 2.46 +*+++++++++ ++++++++ peak 2601 Upper HD2 ARG 70 - QD1 LEU 84 4.45 8 0.22 0.92 + ++ + *+ ++ peak 2570 HD2 ARG 70 - QD1 LEU 87 Upper HD2 ARG 70 - HE ARG 344 5.50 16 1.10 2.93 ++++ + ++++ ++ +++*+ peak 2600 Upper HD3 ARG 70 - HH2 TRP 72 5.08 20 1.71 2.75 +++++*++++++++++++++ peak 2602 Upper HD3 ARG 70 - H ARG 74 5.01 10 0.24 1.20 + ++ +++++*+ peak 2605 Upper HD3 ARG 70 - QD1 LEU 84 4.58 16 0.45 1.14 + ++++ + + ++*++++++ peak 2567 HD3 ARG 70 - QD1 LEU 87 Upper HD3 ARG 70 - HE ARG 344 5.41 13 0.72 2.60 *+ +++++++++ + + peak 2598 Upper H GLN 71 - HG3 GLN 71 3.60 7 0.19 0.90 + * ++ + ++ peak 272 Upper H GLN 71 - QD1 LEU 84 4.66 20 1.14 1.50 ++++*+++++++++++++++ peak 277 H GLN 71 - QD1 LEU 87 Upper HG2 GLN 71 - H TRP 72 4.95 6 0.14 0.95 + * + + ++ peak 2622 Upper H TRP 72 - QD2 LEU 73 5.50 12 0.19 0.95 ++ + ++ ++* ++ + + peak 1341 Upper H TRP 72 - H ARG 74 4.43 12 0.62 1.61 +* ++++ +++ +++ peak 291 Upper H TRP 72 - QG1 VAL 377 4.08 20 3.24 4.16 +++*++++++++++++++++ peak 8204 Upper HB3 TRP 72 - H LEU 73 4.24 10 0.12 0.35 + + +++ ++ + * + peak 2641 Upper HB3 TRP 72 - HB3 LEU 73 5.50 6 0.15 0.66 + + +* ++ peak 2634 Upper HE3 TRP 72 - QD1 LEU 87 4.42 8 0.14 0.44 * + ++ + + + + peak 3094 Upper HE3 TRP 72 - QD2 LEU 387 4.19 20 1.35 2.73 +++++*++++++++++++++ peak 8228 Upper HE1 TRP 72 - HB3 LEU 73 5.11 8 0.16 0.61 + * + + + +++ peak 260 HE1 TRP 72 - QD1 LEU 86 Upper HE1 TRP 72 - HB3 LEU 73 5.32 7 0.18 0.73 + * +++ + + peak 255 Upper HE1 TRP 72 - HB3 LEU 73 5.05 6 0.08 0.59 + * + + ++ peak 259 HE1 TRP 72 - QD2 LEU 86 Upper HE1 TRP 72 - QD2 LEU 73 5.50 12 0.36 1.13 +++ ++ *+ + +++ + peak 1791 Upper HE1 TRP 72 - HA LEU 87 5.31 8 0.27 1.64 ++ ++ + + +* peak 250 Upper HE1 TRP 72 - HB2 LEU 87 4.79 15 0.74 1.83 + + ++++ ++++++ *++ peak 252 Upper HZ2 TRP 72 - HB3 LEU 73 4.16 7 0.19 0.78 + + * + + + + peak 191 Upper HZ2 TRP 72 - QD2 LEU 73 3.99 14 0.36 0.87 +++ +++ *+ + +++++ peak 198 Upper HZ2 TRP 72 - QD1 LEU 86 4.64 16 0.95 1.74 + +++++ ++*++++++ + peak 3081 Upper HZ2 TRP 72 - HG LEU 87 4.18 13 0.63 1.59 ++ ++ +++ * +++++ peak 190 Upper HZ2 TRP 72 - QD2 LEU 387 3.94 16 0.63 1.61 +++ *+++++ + ++++++ peak 8227 Upper HH2 TRP 72 - HA LEU 87 3.94 9 0.29 1.16 ++ ++ + + * ++ peak 120 Upper H LEU 73 - H ARG 74 3.52 12 0.37 0.84 + +++ ++++++*+ peak 290 Upper H LEU 73 - QD ARG 74 5.50 11 0.49 1.53 ++ + + +*+ ++++ peak 2669 Upper H LEU 73 - HD2 PRO 75 4.79 13 0.79 2.46 + ++ + +++ + +*+ ++ peak 2707 Upper H LEU 73 - HD3 PRO 75 5.05 6 0.22 1.40 + + ++ +* peak 2703 Upper HA LEU 73 - QE MET 83 4.72 10 0.30 1.26 ++ + * + +++ ++ peak 2648 Upper HB3 LEU 73 - HD3 PRO 75 5.08 11 0.19 0.77 ++ + *+++ +++ + peak 2681 Upper HG LEU 73 - QE MET 83 2.71 20 1.38 3.32 +*++++++++++++++++++ peak 8122 Upper HG LEU 73 - QD2 LEU 387 3.11 20 1.90 3.56 ++++++++++++++*+++++ peak 8229 Upper QD1 LEU 73 - H MET 83 5.16 15 0.41 1.16 ++ + ++ ++++++*++ + peak 1073 Upper QD1 LEU 73 - HA MET 83 4.58 17 0.79 1.76 ++ + +++++++++++*++ peak 1924 Upper QD1 LEU 73 - QE MET 83 3.11 13 0.44 1.61 *+ + ++ +++ + +++ + peak 1635 Upper QD1 LEU 73 - H LEU 86 5.50 6 0.13 0.74 + ++ ++ * peak 1100 QD1 LEU 73 - H LEU 386 Upper QD1 LEU 73 - H LEU 87 4.80 15 0.51 1.46 +++ ++++++ ++*+++ peak 1103 Upper QD1 LEU 73 - QG1 VAL 377 3.02 20 1.51 2.30 ++++++++++++++*+++++ peak 8196 Upper QD1 LEU 73 - QD1 LEU 384 2.73 20 2.53 3.13 ++++++++++++++++++*+ peak 8312 Upper QD1 LEU 73 - HG LEU 387 3.40 19 1.26 2.20 +*+++++++++++ ++++++ peak 8278 Upper QD1 LEU 73 - QD1 LEU 387 3.02 17 0.60 1.46 *++++++ ++++++++ ++ peak 8270 Upper QD1 LEU 73 - QD2 LEU 387 3.53 9 0.20 1.26 ++* + + + + ++ peak 8280 Upper QD2 LEU 73 - HA MET 83 3.96 8 0.25 1.30 ++ + + + + +* peak 1784 Upper QD2 LEU 73 - HA LEU 86 5.50 18 0.70 1.54 ++*++++++ +++++++++ peak 1785 Upper QD2 LEU 73 - HB3 LEU 86 4.07 20 1.22 2.62 ++*+++++++++++++++++ peak 3065 Upper QD2 LEU 73 - QD1 LEU 86 2.98 17 0.61 1.86 + ++++++*+++++ ++++ peak 3068 Upper QD2 LEU 73 - QD1 LEU 384 3.83 20 2.43 3.56 ++++++++++++*+++++++ peak 3067 Upper QD2 LEU 73 - QD2 LEU 386 3.92 19 0.91 1.78 ++++*+++++++++++++ + peak 8187 Upper QD2 LEU 73 - QD1 LEU 387 3.74 14 0.60 2.22 *+ + ++ ++++++++ + peak 8186 Upper QD2 LEU 73 - QD2 LEU 387 4.30 10 0.21 0.81 + ++ ++++ * + + peak 8222 Upper H ARG 74 - HD2 PRO 75 3.52 18 0.60 1.22 +++ +++++++*++++++ + peak 313 Upper H ARG 74 - H GLU 76 5.50 16 0.56 1.29 + ++++ +++++++* + ++ peak 305 Upper HB2 ARG 74 - QD ARG 74 3.12 10 0.11 0.37 ++ ++ * ++ + ++ peak 1270 Upper HB3 ARG 74 - HD3 PRO 75 4.19 10 0.26 0.83 +* + +++ ++ ++ peak 2677 Upper HB3 ARG 74 - H GLU 76 3.87 19 1.32 2.27 ++++*++++++++++ ++++ peak 1012 Upper QG ARG 74 - H LEU 84 4.18 20 1.63 2.96 +++*++++++++++++++++ peak 2673 Upper QD ARG 74 - H MET 83 5.29 19 1.34 2.64 ++++*+++++++ +++++++ peak 1066 Upper HA PRO 75 - QG1 VAL 77 3.96 9 0.14 0.90 + + ++ * + + ++ peak 2694 Upper HA PRO 75 - H ARG 78 4.40 15 0.52 1.57 ++ * ++ +++++++++ + peak 2714 Upper HA PRO 75 - QD1 LEU 84 3.95 10 0.71 1.72 ++ + + +++ ++* peak 3007 Upper QB PRO 75 - QD LYS 80 4.42 15 0.54 1.59 +++ + ++ ++++++++* peak 2879 Upper QB PRO 75 - HE2 LYS 80 5.50 17 0.43 0.93 +++ ++++ +++++++++* peak 2874 Upper QB PRO 75 - HE3 LYS 80 5.32 7 0.15 0.77 + *+ + +++ peak 2873 Upper QB PRO 75 - QD1 LEU 84 4.03 10 0.93 2.14 ++ * + +++ +++ peak 2697 Upper HD2 PRO 75 - QD1 LEU 84 3.59 18 1.01 2.12 +++ ++++ +++++*+++++ peak 3006 Upper HD3 PRO 75 - QD1 LEU 84 3.09 17 1.07 1.92 +++ + ++ +++++*+++++ peak 8315 Upper H GLU 76 - QG2 VAL 77 4.24 20 1.18 1.82 *+++++++++++++++++++ peak 1741 Upper H GLU 76 - H ARG 78 4.75 8 0.18 0.84 ++ + *+ ++ + peak 296 Upper H GLU 76 - QD1 LEU 84 5.08 13 0.74 2.14 ++ + ++ +++ ++*+ + peak 1008 Upper HA GLU 76 - HG3 GLU 76 4.04 7 0.06 0.19 ++ + +++ * peak 2743 Upper H VAL 77 - HG3 ARG 78 5.50 8 0.24 1.17 +++ + ++*+ peak 2832 Upper HB VAL 77 - H ARG 78 4.13 9 0.15 0.46 *+ + + + ++ + + peak 2759 Upper HB VAL 77 - HB3 ARG 78 5.01 6 0.12 0.52 + + + + *+ peak 2776 Upper HB VAL 77 - HG2 ARG 78 4.57 7 0.08 0.34 *+ + + + ++ peak 2775 HB VAL 77 - QE MET 83 Upper HB VAL 77 - QE MET 83 2.95 13 1.04 2.68 ++++ * +++ ++ + ++ peak 1638 Upper QG1 VAL 77 - HG2 ARG 78 4.74 7 0.23 1.02 + +*+ + ++ peak 2817 QG2 VAL 77 - HG2 ARG 78 Upper QG1 VAL 77 - H TRP 372 4.08 20 5.29 6.42 ++++++*+++++++++++++ peak 8204 Upper QG1 VAL 77 - QD1 LEU 373 3.02 20 1.60 2.76 ++++++++*+++++++++++ peak 8196 Upper QG2 VAL 77 - HB3 ARG 78 3.38 9 0.31 1.06 + + + +++ + +* peak 1729 Upper QG2 VAL 77 - QE MET 83 2.96 13 0.33 1.56 ++ +++ * ++++ + ++ peak 1730 Upper H ARG 78 - HD3 ARG 78 5.50 6 0.07 0.29 +* ++ + + peak 2837 Upper HB2 ARG 78 - HG2 MET 83 5.50 17 0.61 1.62 +++ ++++++ +++++ +*+ peak 2780 Upper HB3 ARG 78 - HG2 MET 83 4.98 17 0.59 1.29 ++++ + +++ +*+++++++ peak 2946 Upper HB3 ARG 78 - HG3 MET 83 5.08 8 0.24 0.84 ++ + + + * ++ peak 2953 Upper HB3 ARG 78 - QE MET 83 2.84 7 0.15 0.74 ++ + +* + + peak 1645 Upper HA SER 79 - HE3 LYS 80 4.90 6 0.05 0.22 ++ + + + * peak 2876 HB2 SER 79 - HE3 LYS 80 Upper HA SER 79 - H GLU 81 3.85 7 0.14 0.57 + + * + + ++ peak 344 HB2 SER 79 - H GLU 81 Upper HB3 SER 79 - H GLU 81 4.06 10 0.13 0.47 ++ + * + + ++ ++ peak 346 Upper HA LYS 80 - H GLN 82 4.98 6 0.09 0.31 *++ + + + peak 2905 Upper HA LYS 80 - QE MET 83 3.00 15 0.57 1.69 +++++++++ +++ + *+ peak 1639 Upper HA LYS 80 - H LEU 84 5.18 8 0.15 0.84 + * + + ++++ peak 2904 Upper HB2 LYS 80 - H GLU 81 3.11 8 0.17 0.89 + +++ + + *+ peak 1049 Upper HB2 LYS 80 - QD1 LEU 84 5.24 8 0.14 0.49 + + + + +*+ + peak 2860 Upper HB3 LYS 80 - HE3 LYS 80 4.87 12 0.17 0.40 ++ ++ + *++ ++ ++ peak 2872 Upper HB3 LYS 80 - H GLN 82 4.22 11 0.18 0.64 ++ ++++ + *+ ++ peak 1060 Upper HB3 LYS 80 - QD1 LEU 84 5.44 17 0.51 0.96 +++ + +++ ++++*+++++ peak 2849 Upper QD LYS 80 - QD1 LEU 84 4.56 12 0.21 0.69 ++++ ++ + +* +++ peak 2853 Upper HE2 LYS 80 - H GLN 82 5.50 17 0.49 0.86 *++ + ++ +++++++++++ peak 1054 Upper H GLU 81 - QE MET 83 4.70 18 0.81 1.66 +++*++++++++++++++ peak 1649 Upper H GLU 81 - QD1 LEU 84 5.40 8 0.19 0.73 + ++ + + * + + peak 1046 Upper H GLN 82 - HB3 MET 83 4.58 9 0.24 1.49 ++ +++* + ++ peak 1061 Upper H GLN 82 - QE MET 83 5.50 7 0.16 0.82 + ++ * + + + peak 1646 Upper HA MET 83 - HG3 MET 83 3.60 11 0.15 0.58 ++ + + + + + ++* + peak 2971 Upper HA MET 83 - H LEU 86 3.96 10 0.16 0.92 ++* + ++ + +++ peak 382 Upper HB2 MET 83 - QD1 LEU 84 3.83 7 0.09 0.36 +++++ *+ peak 3004 Upper HG2 MET 83 - QD1 LEU 86 5.50 9 0.13 0.66 * +++ + ++ ++ peak 3058 Upper HG2 MET 83 - QB LEU 384 5.17 20 2.65 3.43 +++++++++++++++*++++ peak 3005 Upper HG3 MET 83 - QD1 LEU 86 4.91 16 0.32 1.05 *+++++++++ + +++ + + peak 3056 Upper QE MET 83 - QD1 LEU 84 2.57 19 0.69 1.15 ++++++++ ++++++++++* peak 1636 Upper QB LEU 84 - QD2 LEU 86 3.74 19 0.61 1.08 ++ +++++*+++++++++++ peak 2998 QD2 LEU 86 - QB LEU 384 Upper QB LEU 84 - HB2 LEU 87 4.16 19 0.72 1.75 +*+++++++++ ++++++++ peak 3001 Upper QB LEU 84 - QD1 LEU 87 3.12 15 0.24 0.68 *+ +++ +++ + ++ ++++ peak 3117 Upper QB LEU 84 - H VAL 88 5.25 6 0.11 0.55 *+ + + + + peak 3015 Upper QB LEU 84 - HA ARG 366 4.22 20 4.01 5.31 +++++*++++++++++++++ peak 8248 Upper QB LEU 84 - HG2 MET 383 5.17 8 0.24 1.17 + +++ + * ++ peak 3005 Upper QD1 LEU 84 - H LEU 86 4.57 20 0.64 1.17 *+++++++++++++++++++ peak 3023 Upper H GLU 85 - HG2 GLU 85 3.17 6 0.10 0.46 + +* + + + peak 1085 Upper H GLU 85 - QG2 VAL 88 4.62 19 1.70 2.81 +++++++++++*++++++ + peak 1089 Upper HA GLU 85 - HG2 GLU 85 3.99 14 0.13 0.24 + + + +++ ++*+ ++++ peak 1390 Upper HA GLU 85 - QG2 VAL 88 3.66 18 1.32 2.75 +++++++++++*++++ + + peak 3151 Upper HG3 GLU 85 - QD1 LEU 86 4.04 20 0.50 1.24 ++++++++++++++++++*+ peak 3057 Upper H LEU 86 - HG LEU 87 4.34 7 0.36 2.01 +*+ + + + + peak 3099 Upper H LEU 86 - H VAL 88 5.24 12 0.16 0.52 +*++ ++++++ + + peak 362 Upper HA LEU 86 - H LEU 89 4.40 19 1.66 2.39 ++++++++++*+ +++++++ peak 3088 Upper HA LEU 86 - HB2 LEU 89 4.50 10 0.21 0.97 ++ +* ++ + +++ peak 1888 Upper HA LEU 86 - H GLU 90 5.46 13 0.54 1.35 ++ ++ +++ ++ + *++ peak 3087 Upper QD1 LEU 86 - QB LEU 384 2.89 13 0.18 0.30 ++++*+ ++ +++ + + peak 3055 HB2 LEU 386 - QD1 LEU 386 Upper QD2 LEU 86 - HB2 LEU 87 3.72 15 0.35 0.95 +*++++++ ++++ + + + peak 3052 Upper QD2 LEU 86 - QD2 LEU 373 3.92 20 1.90 2.62 ++++++++++++++++++*+ peak 8187 Upper H LEU 87 - HB2 LEU 87 3.37 11 0.12 0.22 + +++ ++*++ + + peak 1110 Upper H LEU 87 - H LEU 89 5.49 10 0.29 0.94 *+ + + + ++ ++ + peak 366 Upper HA LEU 87 - QD2 LEU 87 3.16 16 0.51 0.88 +++++ +++ ++ +++*++ peak 847 HA LEU 87 - QD2 LEU 387 Upper HA LEU 87 - H GLU 90 5.13 17 1.05 1.77 ++ ++++++++* +++++ + peak 407 Upper HA LEU 87 - QB GLU 90 5.15 8 0.36 1.69 +++ + + + * + peak 3204 Upper HG LEU 87 - QD1 LEU 373 3.40 20 1.90 2.77 +++++++++++++++*++++ peak 8278 Upper QD1 LEU 87 - QD1 LEU 373 3.02 20 1.46 2.72 ++++++++*+++++++++++ peak 8270 Upper QD1 LEU 87 - QD2 LEU 373 3.74 16 0.51 1.71 + ++ +++++ ++++++*+ peak 8186 Upper QD2 LEU 87 - HE3 TRP 372 4.19 20 2.25 3.39 ++++++++++++++++++*+ peak 8228 Upper QD2 LEU 87 - HZ2 TRP 372 3.94 13 0.40 1.27 *++++ + + ++ + +++ peak 8227 Upper QD2 LEU 87 - HG LEU 373 3.11 20 1.79 3.02 ++++++++++++++++++*+ peak 8229 Upper QD2 LEU 87 - QD1 LEU 373 3.53 7 0.15 0.82 + + * ++++ peak 8280 Upper H VAL 88 - H GLU 90 4.75 6 0.06 0.26 *+ + + ++ peak 405 Upper HB VAL 88 - H PHE 92 5.50 6 0.29 2.53 ++ * + + + peak 1165 Upper QG1 VAL 88 - HA PRO 112 4.37 17 0.88 1.88 ++++++++ +*++ +++ ++ peak 3743 Upper QG1 VAL 88 - HB2 PRO 112 3.96 16 0.50 1.51 + +++* + ++ ++++++++ peak 3794 Upper QG1 VAL 88 - HG3 PRO 112 3.65 19 1.43 2.69 +++++*++ +++++++++++ peak 3777 Upper QG1 VAL 88 - QD1 LEU 362 3.35 20 2.51 3.99 +++++++++*++++++++++ peak 8300 Upper H LEU 89 - HB2 PHE 92 5.50 9 0.17 0.57 +++ ++ + ++* peak 473 Upper H LEU 89 - HG2 PRO 112 4.67 7 0.21 0.88 + + + *+ + + peak 3811 Upper HA LEU 89 - H PHE 92 5.08 13 0.50 1.07 ++ ++ *++ ++ + +++ peak 2935 Upper HA LEU 89 - HB2 PHE 92 4.00 18 0.54 1.08 ++++++++++++ +++++ * peak 3168 Upper HA LEU 89 - QD PHE 92 5.31 13 0.34 1.09 +++ +++ + +++ ++* peak 3192 Upper HB2 LEU 89 - H GLU 90 3.45 14 0.43 0.76 ++ ++ ++* ++ + ++++ peak 1144 Upper HB2 LEU 89 - HA PRO 112 4.85 16 0.44 1.63 ++++++++++++ * + ++ peak 3741 HA PRO 112 - HG3 GLU 114 Upper HB2 LEU 89 - HD3 PRO 112 4.77 16 0.57 1.42 +++++++++ +++++* + peak 3758 Upper HG LEU 89 - H GLU 90 5.50 9 0.22 0.52 *+ ++ + ++++ peak 3186 Upper QD1 LEU 89 - H GLY 110 4.84 12 0.26 1.03 ++ ++ +++ ++ + + * peak 1258 QD2 LEU 93 - H GLY 110 Upper QD1 LEU 89 - HA2 GLY 110 4.69 11 0.48 1.78 ++ ++ +++ ++ + * peak 3713 Upper QD1 LEU 89 - HA3 GLY 110 4.76 7 0.21 0.93 +* ++ ++ + peak 3715 Upper QD1 LEU 89 - H SER 111 4.28 18 0.69 1.79 ++ ++ *+++++++++++++ peak 3194 Upper QD2 LEU 89 - HB2 PHE 92 4.51 13 0.35 0.90 ++++ ++ ++ *+ ++ + peak 3185 Upper QD2 LEU 89 - QD PHE 92 4.69 14 0.45 1.13 +++++++ ++ *++ + + peak 3200 Upper QD2 LEU 89 - H SER 111 4.59 9 0.18 0.68 + ++ +* + +++ peak 3199 Upper QD2 LEU 89 - HA PRO 112 3.38 14 0.31 1.01 + ++++++++ +++*+ peak 3744 Upper QD2 LEU 89 - HB2 PRO 112 4.08 14 0.23 0.79 +++* + ++ +++++++ peak 3793 Upper QD2 LEU 89 - HG3 PRO 112 3.34 19 0.66 1.31 ++*+++++++ +++++++++ peak 3776 Upper QD2 LEU 89 - H GLU 114 5.19 19 0.49 1.22 ++ ++++++++++*++++++ peak 1279 Upper QD2 LEU 89 - QB ALA 115 4.58 16 0.75 1.62 ++ *+ ++++++++++++ peak 1680 Upper QB GLU 90 - H PHE 92 5.50 13 0.21 0.48 + +*+++ + + ++ ++ + peak 1164 HG2 GLU 113 - H PHE 392 Upper H GLN 91 - HG3 GLN 91 4.48 8 0.10 0.47 + + + + ++ *+ peak 1155 Upper H GLN 91 - QD PHE 392 4.79 20 2.35 5.39 ++++++++++++*+++++++ peak 1149 Upper HA GLN 91 - H LEU 93 5.50 10 0.43 1.12 ++ + ++ ++ + *+ peak 1863 Upper HA GLN 91 - HA2 GLY 94 5.01 19 0.98 1.43 ++++++++ *++++++++++ peak 3220 Upper HA GLN 91 - H ALA 95 5.50 17 1.11 1.93 ++ ++++++ +++*+++++ peak 1860 Upper HA GLN 91 - QD1 LEU 365 4.57 20 3.33 4.94 ++++++++++++++++++*+ peak 3219 Upper HG2 GLN 91 - QD1 LEU 365 4.15 20 1.85 2.79 +++++++++*++++++++++ peak 8284 Upper HG3 GLN 91 - QD2 LEU 365 3.84 20 2.35 3.75 ++++++++*+++++++++++ peak 8294 Upper HE21 GLN 91 - HA ALA 95 5.47 15 0.94 1.87 ++*++ +++ ++ + +++ + peak 416 Upper HE22 GLN 91 - H ALA 95 5.05 15 0.60 1.82 +++++ +++ ++ * +++ + peak 446 Upper H PHE 92 - H LEU 93 3.91 12 0.34 0.73 ++ ++ ++ ++ + *++ peak 421 Upper H PHE 92 - H ALA 95 5.50 14 0.21 0.52 ++ ++ ++ +++++*++ peak 426 Upper H PHE 92 - QB ALA 95 5.21 13 0.39 0.87 *+ ++ +++ +++ +++ peak 1728 Upper H PHE 92 - HB3 LEU 362 4.60 20 1.80 2.55 ++++++++++*+++++++++ peak 1168 HB3 LEU 365 - H PHE 392 Upper H PHE 92 - HB3 PRO 412 4.29 19 2.45 6.39 ++++++++++++* ++++++ peak 1166 Upper HA PHE 92 - QB ALA 95 3.60 12 0.27 0.81 ++ ++ +++ ++ + * + peak 1716 Upper HB2 PHE 92 - H GLY 94 4.63 7 0.10 0.41 ++*+++ + peak 437 Upper QD PHE 92 - HG LEU 93 5.17 8 0.21 1.01 + + + + *+ ++ peak 3284 Upper QD PHE 92 - QD2 LEU 93 3.34 12 0.42 1.60 ++ * + ++++ ++++ peak 149 Upper QD PHE 92 - QD1 LEU 96 3.90 16 0.93 1.90 +*+ +++++++ ++++++ peak 148 Upper QD PHE 92 - QD2 LEU 96 4.53 11 0.32 1.62 ++++ + ++ +* + + peak 153 Upper QD PHE 92 - HA GLN 101 5.39 15 0.93 1.68 +++++ +++ ++ + ++*+ peak 3521 H LEU 96 - HA GLN 101 Upper QD PHE 92 - QB ALA 115 3.62 7 0.10 0.46 + ++ * + + + peak 1687 Upper QD PHE 92 - QG1 VAL 119 4.13 20 1.58 2.60 ++++++++*+++++++++++ peak 151 Upper QD PHE 92 - QB ALA 361 3.25 20 1.42 2.56 ++++++++++++*+++++++ peak 8145 Upper QD PHE 92 - QD2 LEU 362 3.39 13 0.67 2.06 + +* +++ ++ +++ ++ peak 8215 Upper QD PHE 92 - QD1 LEU 365 3.30 15 0.70 1.64 +++ ++*+ ++++ ++++ peak 8289 Upper QD PHE 92 - H GLN 391 4.79 19 1.24 1.92 ++++++++++++ *++++++ peak 1149 Upper QE PHE 92 - QD2 LEU 93 3.78 9 0.49 2.51 ++ * + ++ +++ peak 164 Upper QE PHE 92 - QB ALA 95 4.22 7 0.18 1.46 +++ + + + * peak 160 Upper QE PHE 92 - QD1 LEU 96 4.06 6 0.13 0.54 ++ + + + * peak 165 Upper QE PHE 92 - H VAL 119 5.50 18 0.81 1.51 *+++++++++++ ++++++ peak 582 Upper QE PHE 92 - QG1 VAL 119 3.61 17 0.56 1.31 ++++++++* ++ ++++++ peak 3973 Upper QE PHE 92 - QG2 VAL 119 4.78 18 0.47 1.00 +*++++++++ ++++++++ peak 3977 Upper QE PHE 92 - QB ALA 361 3.19 20 1.43 2.75 ++++++++++++*+++++++ peak 8146 Upper HZ PHE 92 - QD1 LEU 96 4.69 6 0.26 1.39 + + + + + * peak 182 Upper HZ PHE 92 - QB ALA 115 4.21 6 0.41 1.84 + + + + +* peak 178 Upper HZ PHE 92 - HA ALA 116 3.47 13 0.35 1.08 + +++++ * +++ +++ peak 117 Upper HZ PHE 92 - QG1 VAL 119 3.93 9 0.42 1.78 + + +++ + + *+ peak 174 Upper HZ PHE 92 - QG2 VAL 119 3.75 20 1.39 2.52 ++++++++++++++++++*+ peak 181 Upper HZ PHE 92 - QD1 LEU 362 3.71 7 0.67 3.06 + + + * + ++ peak 8306 Upper H LEU 93 - HG LEU 93 4.42 8 0.17 0.53 *+ + + ++ + + peak 3285 Upper H LEU 93 - QD2 LEU 93 3.49 8 0.20 0.75 ++ + + * + ++ peak 767 Upper HA LEU 93 - HG LEU 96 4.26 11 0.49 1.88 +++ + + ++++ +* peak 3330 HA2 GLY 94 - HG LEU 396 Upper HA LEU 93 - QD1 LEU 96 3.93 9 0.19 0.98 ++ + + ++ + +* peak 3261 Upper HA LEU 93 - HE21 GLN 101 3.56 11 0.34 1.14 ++*+ +++ + + ++ peak 455 HA3 GLY 94 - HE21 GLN 401 Upper HA LEU 93 - HE22 GLN 101 3.73 6 0.15 0.98 + * + + ++ peak 456 HA2 GLY 94 - HE22 GLN 401 HA3 GLY 94 - HE22 GLN 401 Upper HA LEU 93 - HE22 GLN 105 5.50 13 0.62 1.64 ++ ++ +++ ++ * +++ peak 521 Upper HB2 LEU 93 - QD1 LEU 96 5.50 11 0.41 1.32 ++ + +++ ++ + +* peak 3258 QD1 LEU 96 - HB2 LEU 393 Upper HB3 LEU 93 - HE21 GLN 101 4.96 10 0.28 1.19 ++++ +* ++ ++ peak 1199 HE21 GLN 101 - QB ALA 115 Upper HG LEU 93 - QD1 LEU 96 4.61 19 1.35 2.71 +++++ +++++++++++*++ peak 3265 Upper HG LEU 93 - QB ALA 115 3.50 11 0.47 1.14 ++ *+ +++ ++ + + peak 1684 HB2 PRO 109 - QB ALA 115 Upper QD1 LEU 93 - H GLN 105 5.50 18 0.79 1.50 *+++++++ ++++++++++ peak 3301 Upper QD1 LEU 93 - HA GLN 105 3.79 20 1.72 2.45 ++++++++++++++++*+++ peak 3279 Upper QD1 LEU 93 - QG GLN 105 3.37 19 1.13 1.85 +++++*++ +++++++++++ peak 3599 Upper QD1 LEU 93 - HE21 GLN 105 5.48 11 0.15 0.34 +* + +++ + ++ ++ peak 1224 Upper QD1 LEU 93 - HE22 GLN 105 4.70 9 0.14 0.52 + * ++ + + ++ + peak 1230 Upper QD1 LEU 93 - HG3 PRO 109 3.46 14 1.35 2.69 ++ +* +++ ++ + +++ + peak 3270 Upper QD1 LEU 93 - HD3 PRO 109 4.84 14 0.77 2.04 +++++ +++ ++ + ++* peak 3275 Upper QD1 LEU 93 - H ALA 115 5.03 13 0.97 2.04 ++ ++ +++ ++ + ++* peak 3299 H ALA 115 - QD1 LEU 393 Upper QD1 LEU 93 - HA GLU 414 4.15 8 2.81 9.11 + + + *++ ++ peak 3287 Upper QD2 LEU 93 - QD1 LEU 96 3.05 20 0.88 2.59 +++++++++++++++++++* peak 3318 Upper QD2 LEU 93 - H GLN 105 4.81 12 0.42 1.33 + + ++++ + + ++* + peak 3295 Upper QD2 LEU 93 - QG GLN 105 3.99 7 0.18 0.85 + ++* + + + peak 3269 Upper QD2 LEU 93 - HG3 PRO 109 4.67 8 0.29 2.01 + ++ + + * + + peak 3266 Upper QD2 LEU 93 - HD3 PRO 109 4.15 14 1.04 3.43 +++++ +++ ++ + ++* peak 3276 Upper H GLY 94 - QD1 LEU 96 5.50 10 0.32 1.10 ++ ++* ++ +++ peak 1181 QD1 LEU 96 - H GLY 394 Upper HA2 GLY 94 - HE22 GLN 401 4.51 7 1.43 4.62 + + + * + ++ peak 3302 Upper H ALA 95 - QD1 LEU 96 5.50 9 0.31 0.97 ++ ++ ++ ++* peak 1113 QD1 LEU 96 - H ALA 395 Upper H ALA 95 - QD2 LEU 96 4.77 10 0.18 0.94 +++++ ++ * + + peak 1112 QD2 LEU 96 - H ALA 395 Upper QB ALA 95 - QD PHE 350 3.02 20 2.57 3.37 +++++++++++*++++++++ peak 8165 Upper QB ALA 95 - QE PHE 350 3.34 20 2.45 3.30 +++++++++++*++++++++ peak 8164 Upper QB ALA 95 - HB2 HIS 351 5.20 20 2.96 3.74 ++++++++++++++++++*+ peak 2051 Upper QB ALA 95 - QB TYR 352 4.18 17 0.36 1.72 ++++++++++++*+ + ++ peak 2059 Upper QB ALA 95 - QD TYR 352 3.68 20 1.37 2.55 ++++++++++++*+++++++ peak 8175 Upper QB ALA 95 - QE TYR 352 4.34 20 2.00 3.18 ++++++++++++*+++++++ peak 8176 Upper H LEU 96 - HG LEU 96 3.38 14 0.68 1.45 +++ + +++ ++++ *++ peak 1185 Upper H LEU 96 - QD1 LEU 96 4.72 7 0.07 0.36 +* + ++ ++ peak 1188 QD1 LEU 96 - H LEU 396 Upper H LEU 96 - HG3 GLN 101 4.41 14 0.56 1.67 ++ ++ ++ ++ *++++ + peak 1184 Upper HB3 LEU 96 - HD3 PRO 358 4.27 19 2.76 5.67 ++++++++++++* ++++++ peak 8242 Upper HG LEU 96 - QG1 VAL 119 3.43 15 0.45 1.54 + +*++++ ++ ++ ++++ peak 3952 Upper HG LEU 96 - QG2 VAL 119 4.54 9 0.22 1.30 + *++ + + +++ peak 3956 Upper QD1 LEU 96 - H ILE 100 4.55 15 0.49 2.08 +++*++++ +++ ++ ++ peak 234 Upper QD1 LEU 96 - HA VAL 104 5.50 8 0.24 1.42 ++ + + * ++ + peak 3590 Upper QD1 LEU 96 - H GLN 105 4.70 14 0.35 1.20 ++ *+ ++++++ + +++ peak 1220 Upper QD1 LEU 96 - H VAL 119 5.05 6 0.14 0.86 + + * + + + peak 1314 Upper QD2 LEU 96 - HG2 PRO 97 4.44 9 0.36 1.15 + + + + + *+ ++ peak 1748 Upper QD2 LEU 96 - H ILE 100 4.86 16 0.78 1.41 ++ ++++++ +++ +*+++ peak 284 Upper QD2 LEU 96 - HB ILE 100 4.85 12 0.35 0.88 ++ ++ +++ ++ +*+ peak 3464 Upper QD2 LEU 96 - QD1 ILE 100 3.41 8 0.10 0.65 ++ + *+ ++ + peak 3472 Upper QD2 LEU 96 - HB2 GLN 101 5.50 10 0.17 0.77 + + ++ + + *++ + peak 4060 Upper QD2 LEU 96 - HB3 GLN 101 5.50 17 0.40 1.13 ++ +++++++++* +++++ peak 4064 Upper QD2 LEU 96 - QQG VAL 104 4.19 6 0.11 0.65 ++ + + +* peak 3592 Upper QD2 LEU 96 - HA VAL 119 5.50 8 0.24 1.01 + ++ ++ ++* peak 3948 Upper QD2 LEU 96 - QB TYR 352 4.18 18 0.83 2.69 +++ +* +++++++++++++ peak 8179 Upper QD2 LEU 96 - QD TYR 352 3.70 20 0.91 2.06 +++++*++++++++++++++ peak 8183 Upper QD2 LEU 96 - QE TYR 352 3.90 18 0.63 2.15 ++++++ +++++* ++++++ peak 8182 Upper HA PRO 97 - HG2 GLN 101 4.46 8 0.21 0.97 + ++ + + ++* peak 3518 Upper HG2 PRO 97 - H GLY 357 4.76 20 3.11 5.79 ++++++++++++++*+++++ peak 825 Upper HD2 PRO 97 - H GLY 357 5.07 20 3.04 5.03 ++++++++++++*+++++++ peak 3428 Upper HD3 PRO 97 - HB ILE 100 5.02 10 0.24 1.39 + + + ++ + ++* + peak 3378 Upper HA PRO 98 - H GLN 101 4.03 7 0.14 0.83 + ++ *++ + peak 3438 Upper HA PRO 98 - HA GLN 101 5.42 7 0.13 0.65 *++ +++ + peak 3433 Upper HA PRO 98 - HG3 GLN 101 4.96 6 0.06 0.28 *++ + + + peak 4094 HG3 GLN 101 - HA ALA 102 Upper HB2 PRO 98 - QB ALA 102 4.20 19 1.21 2.19 +++++++++++*+++++++ peak 1796 Upper QG GLU 99 - H ALA 102 5.50 14 0.31 1.22 +++ ++ ++ + *+++ ++ peak 2241 Upper H ILE 100 - HG3 GLN 101 5.04 15 0.33 1.25 ++ ++++ +++++ + ++* peak 4102 Upper HA ILE 100 - HG12 ILE 100 3.91 7 0.08 0.32 + * + ++ ++ peak 3482 Upper HA ILE 100 - H VAL 104 4.85 8 0.21 0.91 ++ ++ + +*+ peak 737 Upper HA ILE 100 - QD1 LEU 122 3.81 6 0.18 0.83 + * + + + + peak 4005 Upper HB ILE 100 - H GLN 101 3.23 14 0.31 0.75 + ++ +++*++ ++ +++ peak 1136 Upper HG12 ILE 100 - QG1 VAL 119 3.90 12 0.30 0.86 +++++ + +* +++ + peak 3953 Upper QD1 ILE 100 - QD ARG 123 4.30 7 0.21 0.82 + + + + * ++ peak 2729 Upper QD1 ILE 100 - QD TYR 352 4.11 20 0.85 2.25 ++++++++++++*+++++++ peak 8115 Upper QD1 ILE 100 - QE TYR 352 3.73 10 0.34 2.23 ++ + + * + ++++ peak 8114 Upper QD1 ILE 100 - HG2 PRO 358 3.84 7 1.40 5.11 * + + + + ++ peak 8117 Upper QD1 ILE 100 - HG3 PRO 358 3.84 8 1.07 4.93 + + * +++ ++ peak 8116 Upper H GLN 101 - HE22 GLN 101 5.50 15 0.56 1.07 +++++ *++ ++ + ++++ peak 482 HE22 GLN 101 - H ALA 116 Upper HA GLN 101 - HE22 GLN 101 4.97 12 0.19 0.68 ++ ++ +++ + * +++ peak 477 Upper HA GLN 101 - H ARG 103 3.80 10 0.15 0.61 + +++++ *++ + peak 244 Upper HB3 GLN 101 - QQG VAL 104 3.58 13 0.24 0.73 + + ++ +* ++++ + ++ peak 3512 Upper HG2 GLN 101 - QD1 ILE 400 3.30 8 0.15 0.79 + + + + ++* + peak 3504 QQG VAL 404 - QG GLN 405 Upper HG3 GLN 101 - H ALA 102 4.67 6 0.12 0.62 *++ + ++ peak 4104 Upper HE22 GLN 101 - QB ALA 115 5.45 16 0.65 1.27 ++ ++++*+++++ +++ + peak 1207 Upper HE22 GLN 101 - HA2 GLY 394 4.51 15 3.10 5.33 ++ ++ +++ *+++ +++ + peak 3302 Upper HA ALA 102 - H GLN 105 4.06 13 0.19 0.69 ++ ++* ++ + ++ +++ peak 513 Upper HA ALA 102 - QG GLN 105 4.65 18 0.45 1.13 +++++*++++++ ++++++ peak 1588 Upper HA ALA 102 - HE21 GLN 105 4.75 13 0.25 0.79 +++ ++*+ ++ ++++ peak 496 Upper HA ALA 102 - HE22 GLN 105 5.03 6 0.12 0.78 *++ + + + peak 497 Upper QB ALA 102 - H ARG 103 3.01 6 0.06 0.44 ++ + + *+ peak 242 Upper QB ALA 102 - H GLN 105 5.30 6 0.08 0.39 ++* +++ peak 1218 Upper QB ALA 102 - HE21 GLN 105 5.50 14 0.31 0.94 ++++ *++++++ +++ peak 1223 Upper HA ARG 103 - HG LEU 122 5.50 9 0.32 0.89 + * ++++ + + + peak 4004 HA LEU 118 - HG LEU 122 Upper HA VAL 104 - QD2 LEU 118 3.96 18 0.58 1.25 ++++++++++++++ * +++ peak 3938 Upper QQG VAL 104 - HE21 GLN 107 4.24 10 0.12 0.49 ++ + ++ + + + * + peak 1240 HE21 GLN 107 - QD2 LEU 118 Upper QQG VAL 104 - H LEU 122 5.50 19 0.67 1.40 +++++++++++*+ ++++++ peak 3585 Upper HA GLN 105 - HE21 GLN 105 4.94 12 0.44 0.90 ++ + +* ++ + +++ + peak 517 Upper H ARG 108 - HG2 PRO 109 4.89 11 0.29 0.96 + *+ + + ++ ++++ peak 1247 Upper HA PRO 109 - HG3 GLU 114 5.50 6 0.11 0.48 + ++ + *+ peak 3862 Upper HA PRO 109 - H ALA 115 4.43 20 1.25 2.06 +++++++++++++++*++++ peak 573 Upper HB3 PRO 109 - H ALA 115 3.70 9 0.09 0.32 + *+ ++ + +++ peak 1283 Upper HB3 PRO 109 - QB ALA 115 4.01 10 0.31 1.26 ++ ++ * + ++ + + peak 3686 Upper HG3 PRO 109 - QB ALA 115 3.62 7 0.18 0.87 + * + + + ++ peak 1682 Upper HD3 PRO 109 - QD1 LEU 118 3.74 8 0.21 0.98 * + + ++++ + peak 3670 HD3 PRO 109 - QD2 LEU 118 Upper H GLY 110 - H GLU 114 5.09 19 0.69 1.05 ++++++ +++*+++++++++ peak 539 Upper HA PRO 112 - H ALA 116 4.77 8 0.20 0.96 + + + + +++ * peak 3805 Upper HB2 PRO 112 - QD1 LEU 362 4.17 7 0.34 1.30 + + + + + *+ peak 8265 Upper HB2 PRO 112 - QD2 LEU 362 3.97 9 0.36 1.41 + + + + +++ *+ peak 8264 Upper HB3 PRO 112 - H GLU 113 4.43 7 0.06 0.23 ++ * + + ++ peak 3808 Upper HB3 PRO 112 - QD1 LEU 362 4.32 7 0.73 2.41 + + + + + *+ peak 8267 Upper HB3 PRO 112 - QD2 LEU 362 4.14 12 0.77 2.19 * ++ +++ + +++ ++ peak 8266 Upper HB3 PRO 112 - H PHE 392 4.29 14 2.12 3.98 ++ ++ +++ +++* +++ peak 1166 Upper HG3 PRO 112 - QD2 LEU 362 4.00 13 0.99 2.79 + ++ +++ ++ +++ *+ peak 8268 Upper H GLU 113 - H ALA 116 5.50 11 0.26 0.76 + *+ + + ++ + +++ peak 634 Upper H GLU 113 - QB ALA 116 5.50 9 0.17 0.55 + ++ + + + +*+ peak 1663 Upper HA GLU 113 - H ALA 115 4.07 18 0.89 1.35 +++++++ +++++*+++ ++ peak 567 Upper HA GLU 113 - H ALA 116 3.82 18 0.77 1.44 ++ +++++++++++++* ++ peak 975 Upper HA GLU 113 - QB ALA 116 3.20 17 0.54 1.61 ++ ++++++ ++++ +*+++ peak 1623 Upper HG2 GLU 113 - QB ALA 116 5.50 11 0.25 0.83 ++ +++++ + +* + peak 3838 Upper H GLU 114 - QD2 LEU 118 4.90 6 0.17 1.19 * ++ + ++ peak 1278 Upper HA GLU 114 - QD1 LEU 393 4.15 13 5.18 8.53 ++ *+ +++ ++ + +++ peak 3287 Upper HG3 GLU 114 - QD2 LEU 118 4.46 14 0.31 1.01 +++++ +++* ++ +++ peak 3876 Upper HA ALA 115 - QD2 LEU 118 3.83 6 0.11 0.90 + ++ * ++ peak 3937 Upper QB ALA 115 - H ALA 117 3.72 17 0.58 1.08 +* ++++++ ++++++++ + peak 1295 Upper H ALA 116 - QB ALA 117 3.81 20 0.76 1.08 ++++++++++++*+++++++ peak 1693 Upper HA ALA 116 - H ASP 120 5.06 7 0.34 1.25 + + + + + +* peak 624 Upper HA ALA 116 - HB2 PRO 358 4.33 19 1.33 2.12 ++*++++++++++ ++++++ peak 8259 Upper HA ALA 116 - HB3 PRO 358 3.72 19 1.37 2.74 ++*++++++++++++ ++++ peak 8252 Upper QB ALA 116 - HB2 PRO 358 4.46 14 0.81 1.71 +++++++ ++*++ + + peak 8262 Upper QB ALA 116 - HB3 PRO 358 3.94 16 0.75 1.55 ++*++++ +++++ ++ ++ peak 8257 Upper QB ALA 116 - H GLN 359 3.58 7 0.87 3.51 + + + + + +* peak 8135 Upper H ALA 117 - QD2 LEU 118 4.40 6 0.11 1.15 + + + +* + peak 1297 Upper H ALA 117 - QG1 VAL 119 4.55 6 0.18 1.02 ++ * + + + peak 1298 Upper HA ALA 117 - HB2 ASP 120 3.57 6 0.15 1.12 +* + +++ peak 3900 Upper HA ALA 117 - HB3 ASP 120 3.58 20 0.57 1.50 ++++++++++++++*+++++ peak 1485 Upper QB ALA 117 - HB2 ASP 120 4.40 11 0.21 0.77 + +++ + ++ ++ +* peak 1490 Upper H LEU 118 - QG2 VAL 119 4.50 11 0.47 1.28 + *++++ + ++++ peak 8191 Upper HA LEU 118 - QD2 LEU 118 2.75 7 0.26 1.38 + + * + + + + peak 887 Upper HG LEU 118 - HA VAL 119 5.50 10 0.33 0.92 +* +++ + ++ ++ peak 3943 Upper QD1 LEU 118 - H VAL 119 3.28 16 0.47 1.16 +++ +++ ++++ + ++++* peak 1313 Upper HA VAL 119 - HB3 LEU 122 5.50 12 0.45 1.23 ++ * ++ + + +++++ peak 1879 Upper HA VAL 119 - HG LEU 122 4.66 10 0.18 0.57 + ++ * + +++ ++ peak 4002 Upper HA VAL 119 - QD1 LEU 122 3.61 11 0.24 1.14 + + ++++ + ++*+ peak 4006 Upper QG1 VAL 119 - H LEU 122 5.50 11 0.20 0.58 +* + + + + + ++++ peak 1328 Upper QG2 VAL 119 - QD ARG 123 4.49 7 0.12 0.54 + +++ * + + peak 1756 Upper QG2 VAL 119 - QE TYR 352 3.65 20 1.50 3.26 ++++++++++++*+++++++ peak 8189 Upper H ASP 120 - QD ARG 123 5.50 18 0.46 0.83 +++++*+++++++ ++ +++ peak 4042 Upper HA ASP 120 - HG3 ARG 123 4.60 11 0.36 1.07 + + + + *++ ++++ peak 4032 Upper HA ASP 120 - QD ARG 123 3.62 6 0.10 0.50 * + ++ + + peak 4027 Upper HB3 ASP 120 - H LEU 122 5.50 7 0.12 0.54 +* + ++ + + peak 1323 Upper H GLY 121 - HG LEU 122 4.83 11 0.21 0.85 + + ++ ++ + +* ++ peak 1318 Upper QA GLY 121 - HG LEU 122 4.68 11 0.27 0.90 ++ + + ++++ + * + peak 4003 Upper H LEU 122 - QD2 LEU 122 3.89 8 0.09 0.29 + + + ++ + * + peak 3991 Upper HA LEU 122 - QD2 LEU 122 2.84 13 0.26 0.82 ++ ++ + ++*+ ++ ++ peak 565 Upper QD2 LEU 122 - H ARG 124 5.10 8 0.17 0.71 ++ *+ + + + + peak 1340 Upper HA PRO 340 - HD1 TRP 372 3.61 19 0.80 1.96 +++++*+++++ ++++++++ peak 51 Upper HA GLU 341 - HE ARG 344 5.17 6 0.15 1.17 *+++ + + peak 650 Upper HA GLU 341 - HD1 TRP 372 5.41 10 0.30 0.90 + + + + + + *+++ peak 52 Upper HB3 GLU 341 - HE1 TRP 372 4.94 20 1.17 2.12 ++++*+++++++++++++++ peak 264 HE1 TRP 372 - HG LEU 387 Upper HA ALA 343 - QB ARG 346 4.24 7 0.20 1.72 + * ++ + + + peak 1584 Upper QB ALA 343 - H TRP 372 3.80 20 1.14 2.11 +++++*++++++++++++++ peak 1652 Upper QB ALA 343 - HB2 TRP 372 4.13 20 0.70 1.44 +++++++++++++++++*++ peak 1630 Upper QB ALA 343 - HD1 TRP 372 3.17 18 0.88 2.40 +++++*+++++ +++ ++++ peak 223 Upper QB ALA 343 - HE3 TRP 372 4.53 20 1.31 1.99 +++++*++++++++++++++ peak 125 Upper QB ALA 343 - HE1 TRP 372 5.13 8 0.31 1.84 ++ * + + +++ peak 258 Upper H ARG 344 - H ARG 346 4.70 9 0.10 0.34 ++ ++ + * + + + peak 127 Upper H ARG 344 - HB3 TRP 372 5.50 11 0.23 0.73 + *+ ++ + + ++++ peak 2643 Upper H ARG 344 - HD1 TRP 372 4.13 18 0.67 1.74 ++++*++++++++ +++++ peak 54 Upper HA ARG 344 - H ARG 346 4.72 8 0.18 0.62 ++ * +++ + + peak 663 Upper HB2 ARG 344 - HE1 TRP 372 5.17 9 0.24 1.37 + + +++ +* ++ peak 256 Upper HB3 ARG 344 - HD1 TRP 372 4.14 19 0.68 1.65 +* +++++++++++++++++ peak 226 Upper HG2 ARG 344 - H LEU 345 5.15 6 0.09 0.46 + + ++ * + peak 1850 Upper HG3 ARG 344 - HZ2 TRP 372 4.31 20 1.03 2.77 ++++++++++++++++++*+ peak 199 Upper HD2 ARG 344 - QD PHE 347 5.50 12 0.31 1.31 +++ + + *++++++ peak 1837 Upper HD2 ARG 344 - HZ2 TRP 372 4.69 13 0.52 1.74 ++ + ++ ++++++*+ peak 185 Upper HD2 ARG 344 - HH2 TRP 372 4.35 19 0.76 1.32 + ++++*+++++++++++++ peak 184 HD2 ARG 370 - HH2 TRP 372 Upper HD3 ARG 344 - QE PHE 347 5.50 15 0.37 1.30 + + + ++++++ ++ ++*+ peak 1833 HD3 ARG 344 - HZ2 TRP 372 HD3 ARG 344 - HH2 TRP 372 Upper HD3 ARG 344 - QE PHE 347 4.04 13 0.41 1.21 + + ++*+++ +++ ++ peak 312 QE PHE 347 - HB2 CYS 369 Upper H LEU 345 - HG LEU 345 3.23 14 0.27 0.79 +++ ++ +*++++ +++ peak 686 Upper H LEU 345 - QD1 LEU 368 5.50 7 0.14 0.69 + ++ + + * + peak 2513 H GLN 364 - QD1 LEU 368 Upper HA LEU 345 - QD PHE 347 4.24 13 0.34 1.05 ++ ++ +++ +*+ ++ + peak 103 QD PHE 347 - HA ARG 366 Upper HA LEU 345 - H CYS 349 4.31 20 1.05 1.65 ++++++++*+++++++++++ peak 759 Upper QD PHE 347 - HB3 LEU 365 5.04 8 0.16 0.86 + ++ + * + + + peak 302 Upper QD PHE 347 - HG LEU 365 3.76 20 1.11 1.89 ++++++++++++++*+++++ peak 305 Upper QD PHE 347 - QD1 LEU 365 3.95 20 1.39 2.06 ++++++++++++++*+++++ peak 304 Upper QD PHE 347 - HB2 LEU 368 3.97 13 0.56 1.71 ++++++ ++ +*++ + peak 301 Upper QD PHE 347 - QD2 LEU 368 5.11 7 0.09 0.35 + + * + + + + peak 2530 Upper QD PHE 347 - HB2 CYS 369 4.95 8 0.12 0.54 + + * +++ + + peak 2547 Upper QD PHE 347 - H ARG 370 4.68 20 1.48 2.75 ++++++++++++++++++*+ peak 97 Upper QE PHE 347 - QD2 LEU 362 5.32 11 0.21 0.66 + ++ +++ * ++++ peak 2310 QD2 LEU 62 - QE PHE 347 Upper QE PHE 347 - HB3 LEU 365 3.97 7 0.14 0.96 ++ + * + ++ peak 315 Upper QE PHE 347 - HG LEU 365 3.76 10 0.33 1.41 + +* + ++ +++ + peak 317 Upper QE PHE 347 - HB2 LEU 368 5.50 10 0.20 0.81 ++++ ++++ +* peak 2520 H GLU 367 - HB2 LEU 368 Upper QE PHE 347 - HG LEU 368 5.32 18 0.65 1.14 ++++ +++++++*++++++ peak 2527 H GLU 367 - HG LEU 368 Upper QE PHE 347 - HB3 LEU 387 3.84 20 0.80 1.42 ++++++++++++*+++++++ peak 314 QE PHE 347 - QB GLN 391 Upper QE PHE 347 - HA VAL 388 3.94 13 0.37 1.15 ++ +* + + ++ +++ ++ peak 95 Upper QE PHE 347 - QG2 VAL 388 4.37 15 0.66 1.79 +++ + +++++++ + ++* peak 316 Upper QE PHE 347 - QG2 VAL 388 4.50 6 0.09 0.50 ++ + + + * peak 3164 H GLU 367 - QG2 VAL 388 HZ2 TRP 372 - QG2 VAL 388 Upper QE PHE 347 - QB GLU 390 4.97 18 1.14 3.09 + +++++ +++++++++++* peak 3205 Upper QE PHE 347 - H GLN 391 4.60 20 1.69 2.81 ++++++++++++++++++*+ peak 98 Upper QE PHE 347 - H PHE 392 5.50 20 1.30 1.84 +++++++++++++++++++* peak 425 Upper HZ PHE 347 - HE ARG 348 4.82 16 1.09 3.43 +++ *++ ++++ ++++++ peak 1346 Upper HZ PHE 347 - QD1 LEU 365 4.03 11 0.39 1.28 + ++ + ++ +*+ ++ peak 292 HZ PHE 47 - QD1 LEU 365 Upper HZ PHE 347 - H VAL 388 4.52 20 2.49 3.79 ++++*+++++++++++++++ peak 321 Upper HZ PHE 347 - HA VAL 388 3.37 20 1.51 2.74 ++++*+++++++++++++++ peak 88 Upper HZ PHE 347 - H GLN 391 4.22 20 1.49 2.74 ++++++++++++++++++*+ peak 1150 Upper HZ PHE 347 - HA GLN 391 4.42 20 2.74 3.68 ++++++++++++*+++++++ peak 87 Upper HZ PHE 347 - QB GLN 391 3.62 18 0.75 1.37 ++++ ++ ++++*+++++++ peak 288 Upper HZ PHE 347 - HG3 GLN 391 4.24 17 0.96 2.59 +*++++++ ++++++++ + peak 295 Upper HA ARG 348 - HE21 GLN 391 4.65 19 1.30 3.36 ++++ ++++*++++++++++ peak 414 Upper HA ARG 348 - HE22 GLN 391 5.47 18 1.03 2.71 ++++++++ ++ ++++++*+ peak 1995 Upper H PHE 350 - QD2 LEU 365 4.28 20 1.74 2.45 +++++*++++++++++++++ peak 779 Upper HA PHE 350 - QD2 LEU 365 4.94 20 1.64 2.29 +++++++++++*++++++++ peak 2035 Upper HB2 PHE 350 - QD1 LEU 368 5.50 20 1.04 1.69 +++++++++++++++++++* peak 2013 Upper HB2 PHE 350 - QB ALA 395 4.71 20 1.25 2.10 ++*+++++++++++++++++ peak 1714 Upper HB3 PHE 350 - QD1 LEU 365 5.50 18 0.83 1.54 ++*++ ++++++++++++ + peak 2010 Upper HB3 PHE 350 - QD2 LEU 365 4.33 13 0.30 0.98 +++++*++ ++++ + peak 2011 Upper HB3 PHE 350 - QD1 LEU 368 4.82 14 0.39 1.02 + ++++ ++ ++ ++++* peak 2498 Upper HB3 PHE 350 - QB ALA 395 4.79 20 2.42 3.36 +++++*++++++++++++++ peak 2008 Upper QD PHE 350 - HB3 GLN 364 3.90 20 1.02 2.79 ++++++++++++++++++*+ peak 276 Upper QD PHE 350 - QD1 LEU 365 3.56 20 1.50 1.94 +++++++++++++++++++* peak 284 Upper QD PHE 350 - QD2 LEU 365 3.84 12 0.47 1.34 ++ ++ +++ +* +++ peak 2403 Upper QD PHE 350 - QB ALA 395 3.01 20 2.03 2.78 ++++*+++++++++++++++ peak 278 Upper QE PHE 350 - HA TYR 352 3.66 18 0.54 1.04 +++++ ++*+++++++++ + peak 72 Upper QE PHE 350 - QB TYR 352 4.56 11 0.19 0.65 * ++ ++++++ + + peak 262 Upper QE PHE 350 - H GLU 353 5.50 7 0.10 0.51 ++ +++ * + peak 797 Upper QE PHE 350 - HB2 GLN 364 3.86 6 0.22 2.27 + + + +*+ peak 264 Upper QE PHE 350 - HG LEU 365 4.06 18 1.44 3.81 ++++++++++++ ++++* + peak 270 Upper QE PHE 350 - QD1 LEU 365 3.99 19 1.11 1.74 ++++++++++++++++*+ + peak 271 Upper QE PHE 350 - QD2 LEU 365 4.37 14 0.63 1.49 +++++ +++ +* + +++ peak 272 Upper QE PHE 350 - QB ALA 395 4.83 12 0.37 0.89 + ++++++ *+ ++ + peak 1723 QB ALA 95 - QE PHE 350 Upper H HIS 351 - HB2 HIS 351 3.66 18 0.31 0.39 ++++++++++++*+++++ peak 782 Upper H HIS 351 - HB2 GLN 364 5.12 20 1.54 2.74 ++++++++++++++*+++++ peak 786 Upper HD2 HIS 351 - HA TYR 352 5.08 6 0.09 0.47 ++ ++ * + peak 69 Upper HE1 HIS 351 - HA GLU 353 4.36 10 0.28 1.36 + ++ + +++ +*+ peak 64 Upper HA TYR 352 - QB ALA 395 3.95 19 1.65 2.80 +++++*++++++++ +++++ peak 8166 QB ALA 95 - HA TYR 352 Upper QB TYR 352 - HD3 PRO 358 5.43 6 0.08 0.53 + + +* ++ peak 2061 QB TYR 52 - HD3 PRO 358 QB TYR 352 - HD2 PRO 397 Upper QB TYR 352 - QB ALA 361 4.85 11 0.22 0.80 ++ + ++ *+ ++ ++ peak 1602 Upper QB TYR 352 - H ALA 395 5.50 19 1.21 2.10 +++++*++++++++ +++++ peak 1114 H ALA 95 - QB TYR 352 Upper QB TYR 352 - QB ALA 395 3.70 10 0.21 0.76 ++ ++*+ + + + + peak 1713 QB ALA 95 - QB TYR 352 Upper QB TYR 352 - HA LEU 396 4.90 19 0.90 1.32 ++++++++++*+++ +++++ peak 3343 Upper QB TYR 352 - QD2 LEU 396 4.27 20 1.47 2.26 +++++++++++++++++++* peak 1749 Upper QB TYR 352 - HD3 PRO 397 5.50 20 1.13 1.46 ++++++++*+++++++++++ peak 3382 Upper QD TYR 352 - H THR 356 4.34 13 0.39 1.92 + +++ +++ + *++++ peak 63 Upper QD TYR 352 - QG2 THR 356 4.43 8 0.22 1.34 + + + ++ ++ * peak 248 QD TYR 52 - QG2 THR 356 Upper QD TYR 352 - HB3 PRO 358 3.56 16 0.83 1.58 ++++* ++++++ + +++ + peak 245 Upper QD TYR 352 - H ALA 361 5.50 20 0.74 1.82 +++++++++*++++++++++ peak 870 Upper QD TYR 352 - HB3 LEU 396 3.49 20 1.17 1.80 ++*+++++++++++++++++ peak 249 QD TYR 352 - QD1 ILE 400 Upper QD TYR 352 - QD1 LEU 396 5.40 20 1.03 1.74 ++++++++++++++++*+++ peak 251 Upper QD TYR 352 - QD2 LEU 396 4.18 16 0.53 1.48 +* ++ +++++ +++++++ peak 252 Upper QD TYR 352 - HG3 PRO 397 5.50 20 1.35 1.92 +++++++++++*++++++++ peak 3432 Upper QD TYR 352 - HD2 PRO 397 4.77 13 0.34 1.20 ++ ++ +++ +* + +++ peak 3426 Upper QD TYR 352 - HD3 PRO 397 4.62 16 0.73 1.48 +++++ +++ ++++ ++* + peak 241 Upper QD TYR 352 - QD1 ILE 400 4.80 11 0.26 1.39 ++ + + + ++ +++* peak 3486 Upper QE TYR 352 - QG2 THR 356 4.90 10 0.27 1.08 ++ + + ++ + ++ * peak 236 QE TYR 52 - QG2 THR 356 Upper QE TYR 352 - HB3 PRO 358 3.38 19 0.82 1.51 +++++++++ +++*++++++ peak 232 Upper QE TYR 352 - HD2 PRO 358 3.48 14 0.82 2.26 + * ++++ +++ +++ ++ peak 48 QE TYR 52 - HD2 PRO 358 Upper QE TYR 352 - HB3 LEU 396 3.42 16 0.64 1.14 ++++* +++ ++ + +++++ peak 237 QE TYR 352 - QD1 ILE 400 Upper QE TYR 352 - QD1 LEU 396 4.57 19 1.67 2.76 +*++++++++++ +++++++ peak 239 Upper QE TYR 352 - HG2 PRO 397 5.02 13 0.98 1.89 ++ ++ +++ ++ + ++* peak 3429 Upper QE TYR 352 - QD1 ILE 400 3.98 13 0.31 0.79 ++ +* ++ ++ + +++ + peak 3485 Upper QE TYR 352 - QG1 VAL 419 5.50 20 1.03 1.51 +*++++++++++++++++++ peak 3975 Upper QE TYR 352 - QG2 VAL 419 3.49 20 1.71 2.17 +++++++++++++++*++++ peak 238 Upper QE TYR 352 - QD ARG 423 5.27 17 1.43 2.93 +++++ +++ ++ ++++*++ peak 4040 Upper HB2 GLU 353 - QG2 THR 356 4.17 6 0.13 1.22 + + + ++ * peak 2582 Upper QG GLU 353 - HA GLU 354 5.50 11 0.25 0.73 + ++++ *+++ ++ peak 2085 Upper QG GLU 353 - QB ALA 355 3.62 17 0.85 2.01 +++++++++*+++++++ peak 2077 Upper QG GLU 353 - H GLY 357 4.13 8 0.20 1.10 +* + ++ + ++ peak 823 Upper H ALA 355 - QG2 THR 356 5.32 7 0.07 0.32 + +++ * + + peak 812 Upper H GLY 357 - H GLU 360 5.50 7 0.10 0.81 + * + + + ++ peak 398 Upper H GLY 357 - HG3 GLU 360 4.75 15 0.46 1.03 + ++++*++ + + +++++ peak 824 Upper HA2 GLY 357 - H GLN 359 4.09 13 0.48 1.48 +++ ++ *++++ ++ + peak 831 Upper HA2 GLY 357 - HE21 GLN 359 5.01 11 0.48 1.31 ++ ++ * + ++ + + + peak 845 HE21 GLN 359 - HA ALA 417 Upper HA3 GLY 357 - H GLN 359 4.54 15 0.46 1.66 +++ ++ *++++++++ + peak 170 Upper HA PRO 358 - H ALA 361 4.38 14 0.90 2.07 ++ ++ +++ *+ + +++ + peak 872 Upper HA PRO 358 - QB ALA 361 4.23 18 1.40 2.89 ++ +++++++*++++++++ peak 1605 Upper HA PRO 358 - H LEU 362 5.50 17 1.34 2.61 +++++++++ ++++ *+++ peak 875 Upper HA PRO 358 - QB ALA 416 5.49 13 0.69 1.62 +* ++ +++ ++ +++ + peak 1625 Upper HB2 PRO 358 - QE PHE 392 4.72 9 0.26 0.82 ++ ++ + + *+ + peak 156 QE PHE 92 - HB2 PRO 358 Upper HB2 PRO 358 - HZ PHE 392 4.53 14 0.65 2.09 ++ ++++ + ++* +++ + peak 168 Upper HB2 PRO 358 - HA ALA 416 4.32 15 1.55 3.05 ++ ++++++ +++ +++ * peak 2136 Upper HB2 PRO 358 - QB ALA 416 4.18 13 0.34 0.91 +* ++++ + +++ +++ peak 2132 HB2 PRO 58 - QB ALA 416 Upper HB2 PRO 358 - QG2 VAL 419 4.36 14 0.73 1.80 ++ ++ +*+ ++ + +++ + peak 2131 Upper HB3 PRO 358 - HZ PHE 392 3.61 15 0.57 1.74 ++++++ ++++* ++ ++ peak 170 Upper HB3 PRO 358 - QB ALA 416 3.23 6 0.13 0.85 + +*+ ++ peak 1620 QB GLN 359 - QB ALA 416 Upper HB3 PRO 358 - QB ALA 416 3.67 16 0.71 1.32 +*+ + +++++++ +++ ++ peak 2138 Upper HB3 PRO 358 - QG1 VAL 419 4.38 20 1.03 1.89 +++++++*++++++++++++ peak 2139 Upper HB3 PRO 358 - QG2 VAL 419 4.05 14 0.79 1.51 ++ ++ ++* ++ + +++ + peak 2140 Upper HG2 PRO 358 - QE PHE 392 4.05 14 0.38 1.03 ++*+++++++++ ++ peak 157 QE PHE 92 - HG2 PRO 358 Upper HG2 PRO 358 - HZ PHE 392 3.74 20 1.09 1.58 +++*++++++++++++++++ peak 169 Upper HG2 PRO 358 - QB ALA 416 3.72 12 0.38 1.06 +* + ++++++ ++ + peak 1621 Upper HD2 PRO 358 - QG2 VAL 419 5.41 13 0.44 0.97 ++ ++ +++ *+ + +++ peak 2145 HD2 PRO 58 - QG2 VAL 419 Upper HD3 PRO 358 - QG2 VAL 419 4.18 13 0.57 1.10 ++ ++ +++ ++ + *++ peak 2156 HD3 PRO 58 - QG2 VAL 419 Upper H GLN 359 - HG2 GLN 359 3.43 17 0.75 1.28 +++++++++ +*+++ +++ peak 835 Upper H GLN 359 - H ALA 361 4.49 12 0.21 0.67 +* ++++ + ++ + + + peak 162 Upper H GLN 359 - QB ALA 361 5.40 9 0.13 0.35 +* + ++ + ++ + peak 1672 QB ALA 61 - H GLN 359 Upper H GLN 359 - HB2 LEU 362 4.88 14 0.55 2.52 +++++ ++ ++++ +* + peak 838 Upper H GLN 359 - HG LEU 362 4.91 14 0.90 3.10 ++ +++++ + + ++++ * peak 839 Upper H GLN 359 - QD1 LEU 362 3.98 15 0.71 1.48 +++++ * +++++ ++++ peak 8308 Upper H GLN 359 - QD1 LEU 362 4.22 7 0.14 0.54 +* + + ++ + peak 2305 QD1 LEU 362 - H ALA 416 Upper H GLN 359 - QB ALA 416 4.20 7 0.15 0.96 + + + + +*+ peak 840 H GLN 59 - QB ALA 416 Upper H GLN 359 - QG2 VAL 419 5.05 13 0.96 1.97 ++ ++ +++ ++ + +*+ peak 841 H GLN 59 - QG2 VAL 419 Upper HA GLN 359 - HB2 LEU 362 3.84 7 0.26 1.06 + ++ ++ *+ peak 2198 Upper HA GLN 359 - QD1 LEU 362 4.02 7 0.19 0.95 ++ + + + +* peak 2196 HA GLN 59 - QD1 LEU 362 Upper HA GLN 359 - H ALA 363 5.06 10 0.34 1.08 +* ++ + + ++ + + peak 2216 HA GLN 359 - H ALA 417 Upper HA GLN 359 - QE PHE 392 3.44 6 0.10 0.51 + + + *+ + peak 111 QE PHE 92 - HA GLN 359 QE PHE 392 - HA PRO 412 Upper HA GLN 359 - QB ALA 416 3.95 13 0.57 1.30 ++ ++ +++ ++ + *++ peak 2197 Upper QB GLN 359 - H ALA 363 4.06 15 0.58 1.97 ++++++ ++++ ++ ++* peak 897 Upper QB GLN 359 - H ALA 417 4.06 17 2.45 4.73 ++ ++++++++++* +++ + peak 1292 Upper HG2 GLN 359 - HE22 GLN 359 3.75 12 0.19 0.35 +++ ++ + +* ++++ peak 828 Upper HG3 GLN 359 - QB ALA 416 3.59 8 0.47 2.84 ++ + ++ + +* peak 1622 Upper HE21 GLN 359 - QD2 LEU 362 5.15 7 0.19 0.77 *+ + + ++ + peak 853 HE21 GLN 59 - QD2 LEU 362 Upper HE22 GLN 359 - QD1 ILE 400 5.50 9 0.13 0.48 + + ++ + * +++ peak 3487 H LEU 396 - QD1 ILE 400 QD1 ILE 100 - H LEU 396 Upper HE22 GLN 359 - HA ALA 417 4.84 13 0.71 2.48 + ++ +++ ++ * +++ + peak 868 Upper HE22 GLN 359 - H VAL 419 5.50 13 0.58 1.13 ++ ++ +++ ++ + +*+ peak 627 HZ PHE 392 - H VAL 419 Upper HE22 GLN 359 - HB VAL 419 4.66 19 1.25 2.34 +++*+ ++++++++++++++ peak 3966 HZ PHE 392 - HB VAL 419 Upper HE22 GLN 359 - QG1 VAL 419 4.00 6 0.10 0.47 + + *+ + + peak 3972 QD PHE 392 - QG1 VAL 419 HZ PHE 392 - QG1 VAL 419 Upper HE22 GLN 359 - QG2 VAL 419 3.97 17 0.61 1.45 ++ +++++* +++++++++ peak 3976 HZ PHE 392 - QG2 VAL 419 Upper HE22 GLN 359 - H ASP 420 5.33 17 1.93 3.94 +++++++++ +++*++++ peak 628 Upper H GLU 360 - HA ALA 361 5.50 12 0.11 0.27 + ++ ++ ++ + +++ * peak 2256 Upper H GLU 360 - QB ALA 363 5.00 15 0.48 1.33 ++++ ++ ++++ ++ +*+ peak 863 Upper HA GLU 360 - QB ALA 363 3.47 12 0.35 1.58 ++++ ++ + ++ +*+ peak 2225 Upper HA GLU 360 - H GLN 364 4.20 19 0.81 1.76 ++++++++++++ +++++*+ peak 2247 Upper HB3 GLU 360 - HE22 GLN 364 4.44 14 0.46 1.43 + ++ +*+++ + +++++ peak 925 Upper HG2 GLU 360 - H GLN 364 5.17 11 0.66 2.19 ++ + + ++ ++* ++ peak 2244 Upper H ALA 361 - QD2 LEU 362 4.39 13 0.55 1.62 ++ + ++ + +++++ + * peak 8217 Upper HA ALA 361 - HB3 GLN 364 3.83 16 0.47 1.32 +++++ *+++++ +++++ peak 2332 Upper HA ALA 361 - HG3 GLN 364 3.84 7 0.33 1.29 * + ++ + ++ peak 2349 Upper QB ALA 361 - QD1 LEU 362 4.76 11 0.24 0.67 ++ + + +++* + ++ peak 1596 QB ALA 61 - QD1 LEU 362 Upper QB ALA 361 - HB2 LEU 365 4.13 7 0.17 0.75 + + ++ * ++ peak 8142 Upper H LEU 362 - HG LEU 362 3.94 6 0.13 0.63 * + + + + + peak 884 H LEU 62 - HG LEU 362 Upper H LEU 362 - QD1 LEU 362 3.84 6 0.09 0.39 + + + +* + peak 889 H LEU 62 - QD1 LEU 362 Upper H LEU 362 - HG2 GLN 364 5.50 8 0.26 1.97 + + ++ ++ +* peak 879 Upper H LEU 362 - HG LEU 365 5.50 6 0.13 0.65 + + + +* + peak 2392 H GLN 364 - HG LEU 365 Upper H LEU 362 - QG1 VAL 388 4.76 10 0.27 1.17 ++ + + + ++ +*+ peak 886 Upper H LEU 362 - QE PHE 392 5.50 7 0.22 1.23 + + * + + ++ peak 187 Upper H LEU 362 - QB ALA 395 4.90 20 1.90 2.86 +++++++++++++*++++++ peak 1726 Upper H LEU 362 - QB ALA 416 4.82 13 0.91 1.91 ++ *+ +++ ++ + +++ peak 1661 QB ALA 116 - H LEU 393 Upper HA LEU 362 - H LEU 365 3.93 9 0.14 0.65 ++ * + + ++ + + peak 203 Upper HA LEU 362 - QD2 LEU 365 4.37 8 0.22 0.86 ++ * + + + ++ peak 2369 QD2 LEU 65 - HA LEU 362 Upper HA LEU 362 - HG2 GLN 391 5.50 14 0.43 1.37 ++ +++++++++ *+ + peak 3222 HG2 GLN 91 - HA LEU 362 HG2 GLN 391 - HA2 GLY 394 Upper HA LEU 362 - QD PHE 392 5.50 8 0.21 1.07 ++ + * ++ ++ peak 1852 Upper HB2 LEU 362 - H ALA 363 3.45 8 0.16 0.75 + + ++ + +* + peak 899 Upper HB2 LEU 362 - H ALA 416 5.22 20 2.07 3.59 +*++++++++++++++++++ peak 2295 Upper HB3 LEU 362 - H ALA 363 3.57 9 0.20 0.64 +++ ++ *+ + + peak 901 Upper HB3 LEU 362 - HA PRO 412 4.02 20 2.06 3.32 +*++++++++++++++++++ peak 1873 Upper HG LEU 362 - QD PHE 392 3.50 12 0.35 1.24 ++ * +++ ++ + +++ peak 145 QD PHE 392 - QB ALA 415 Upper HG LEU 362 - HA PRO 412 4.01 8 0.17 0.62 + + + + ++ *+ peak 3742 HA PRO 412 - QB ALA 415 Upper QD1 LEU 362 - H LEU 365 5.50 19 1.13 1.73 +++*+ ++++++++++++++ peak 2306 Upper QD1 LEU 362 - H ALA 415 4.79 15 1.18 2.68 ++ ++++++ +* +++++ peak 1288 Upper QD1 LEU 362 - H ALA 416 4.44 10 0.50 1.50 ++ + +++ ++ *+ peak 978 Upper QD1 LEU 362 - HA ALA 416 4.63 14 0.65 1.46 ++ ++ ++* ++ + +++ + peak 3885 Upper QD1 LEU 362 - QB ALA 416 3.07 10 0.17 0.63 ++ *+ +++ + ++ peak 1619 Upper QD1 LEU 362 - H ALA 417 5.09 13 1.14 2.42 ++ ++ +++ ++ + *++ peak 1299 Upper QD2 LEU 362 - QD2 LEU 365 3.81 15 0.76 2.09 +++++ ++* ++++ +++ peak 2374 QD2 LEU 65 - QD2 LEU 362 Upper QD2 LEU 362 - H VAL 388 5.13 16 1.18 2.69 ++*+++++ ++++++ ++ peak 1124 Upper QD2 LEU 362 - HA VAL 388 5.12 10 0.37 1.35 ++* ++ + + ++ + peak 3141 HA VAL 88 - QD2 LEU 362 Upper QD2 LEU 362 - QG1 VAL 388 3.06 6 0.12 1.02 + + *+ ++ peak 8207 Upper QD2 LEU 362 - QG2 VAL 388 3.77 14 0.48 1.66 ++++ ++++ ++++* + peak 3148 Upper QD2 LEU 362 - H LEU 389 4.33 11 0.57 1.72 + ++ +++ + +*+ + peak 2314 Upper QD2 LEU 362 - H LEU 389 5.10 7 0.14 0.87 + + + + *+ + peak 1133 H LEU 89 - QD2 LEU 362 Upper QD2 LEU 362 - HA LEU 389 4.66 8 0.39 1.58 ++ +++ + *+ peak 3177 Upper QD2 LEU 362 - H PHE 392 4.88 7 0.56 2.73 ++ +* + ++ peak 1172 H PHE 92 - QD2 LEU 362 Upper QD2 LEU 362 - H LEU 393 5.00 9 0.29 1.81 ++ +*+ + ++ + peak 1173 H LEU 93 - QD2 LEU 362 Upper QD2 LEU 362 - HA PRO 412 4.33 7 0.62 2.47 + + ++ + *+ peak 3746 Upper QD2 LEU 362 - HG3 PRO 412 4.18 11 0.90 3.30 + + + +++++ +* + peak 3747 Upper HA ALA 363 - H ARG 366 4.23 20 1.01 1.44 ++++++++++*+++++++++ peak 2319 Upper HA ALA 363 - HD2 ARG 366 5.43 7 0.14 0.80 + ++* + ++ peak 2422 Upper QB ALA 363 - HG2 GLU 413 4.83 17 2.39 4.67 ++ +++++++++++ ++* + peak 3841 Upper H GLN 364 - HE22 GLN 364 5.50 8 0.11 0.54 +++ * ++ + + peak 388 Upper HA GLN 364 - HG3 GLU 367 4.41 12 0.31 1.16 * +++ ++++ ++++ peak 2453 Upper HG3 GLN 364 - QD1 LEU 368 4.78 20 1.63 2.52 +*++++++++++++++++++ peak 2499 Upper H LEU 365 - QD1 LEU 365 3.81 8 0.17 0.64 ++ ++ + + + * peak 936 Upper HA LEU 365 - QD1 LEU 368 4.00 17 0.58 1.29 ++++++++ ++*+++++ + peak 2485 Upper QD1 LEU 365 - HA ARG 366 3.99 17 0.63 1.49 +++ ++++*+++++ ++++ peak 2431 HA ARG 366 - QD1 LEU 387 Upper QD1 LEU 365 - QG ARG 366 4.13 19 0.81 1.65 ++++*++++++++++ ++++ peak 8283 QD1 LEU 65 - QG ARG 366 Upper QD1 LEU 365 - H GLU 367 5.50 16 0.25 0.64 +++++ + ++*+++++++ peak 957 Upper QD1 LEU 365 - HG2 GLN 391 4.87 8 0.13 0.66 ++ + + + *+ + peak 3213 HG2 GLN 91 - QD1 LEU 365 Upper QD1 LEU 365 - HG3 GLN 391 4.75 7 0.22 0.89 *+ + ++ ++ peak 3215 HG3 GLN 91 - QD1 LEU 365 Upper QD1 LEU 365 - HA PHE 392 4.08 19 0.46 1.02 ++ ++++++++++*++++++ peak 3230 Upper QD1 LEU 365 - HB2 PHE 392 4.16 8 0.56 2.31 + * + +++ ++ peak 8286 Upper QD1 LEU 365 - QD PHE 392 3.57 20 0.74 2.02 +++++++++++++++++++* peak 2395 Upper QD1 LEU 365 - QB ALA 395 3.86 20 1.53 2.22 ++++++++++++*+++++++ peak 1712 Upper QD2 LEU 365 - HG2 GLN 391 3.53 19 1.43 2.21 +++*+++++++++++++++ peak 8296 Upper QD2 LEU 365 - HG2 GLN 391 4.86 10 0.17 0.69 + * ++ + + + +++ peak 3214 HG2 GLN 91 - QD2 LEU 365 Upper QD2 LEU 365 - HG3 GLN 391 4.19 9 0.52 1.75 ++ ++ + +* ++ peak 3216 HG3 GLN 91 - QD2 LEU 365 Upper QD2 LEU 365 - HA PHE 392 4.36 20 0.83 1.27 ++++*+++++++++++++++ peak 3229 Upper QD2 LEU 365 - HB3 PHE 392 4.23 18 0.59 1.88 +++++++++++ + *+++++ peak 2360 Upper QD2 LEU 365 - QD PHE 392 4.14 20 1.28 2.55 ++++++++++++*+++++++ peak 2402 Upper QD2 LEU 365 - QB ALA 395 3.88 20 1.60 2.28 ++++++++++*+++++++++ peak 8295 Upper HA ARG 366 - QD2 LEU 387 4.15 20 1.19 1.87 +++++++++++++++*++++ peak 8226 Upper HA ARG 366 - QG1 VAL 388 5.10 9 0.22 1.21 ++ + + ++ + + * peak 3845 Upper HA ARG 366 - QG2 VAL 388 3.02 10 0.33 1.08 + + ++ + *++++ peak 8234 Upper QB ARG 366 - HA VAL 388 4.67 11 0.34 1.12 ++ + + ++++ *++ peak 3139 HA VAL 88 - QB ARG 366 Upper QB ARG 366 - QG1 VAL 388 3.19 19 0.96 2.54 +++++ +++++++++*++++ peak 3147 Upper QG ARG 366 - QB GLU 367 4.09 16 0.57 2.02 +++++++ ++++++*++ peak 2462 Upper QG ARG 366 - HG2 GLU 367 4.63 19 0.95 2.29 ++++++++++ ++++++*++ peak 2456 Upper QG ARG 366 - HG3 GLU 367 5.00 18 0.68 1.51 ++++++++++++++ *+++ peak 2459 Upper QG ARG 366 - QG1 VAL 388 3.72 9 0.28 1.03 + + * +++ + + + peak 8198 Upper HD2 ARG 366 - QB GLU 367 5.50 12 0.27 1.29 ++ + +*++ +++++ peak 2803 HD2 ARG 378 - HG3 MET 383 Upper HA GLU 367 - H GLN 371 4.35 20 1.02 1.65 +++++++++++++++++*++ peak 2481 Upper HG2 GLU 367 - HE21 GLN 371 4.82 16 0.69 1.28 +++++++*+++++ ++ + peak 2473 Upper HG2 GLU 367 - HE22 GLN 371 5.50 17 0.55 1.24 +++++++++*+++ ++++ peak 2471 Upper HG3 GLU 367 - HE21 GLN 371 4.27 17 0.52 1.81 +++++ +++ +++*++++ + peak 2469 Upper HG3 GLU 367 - HE22 GLN 371 5.00 16 0.43 1.59 ++ ++ +++ +++*++++ + peak 2467 Upper HB2 LEU 368 - H CYS 369 3.75 9 0.18 0.68 ++ ++ * ++ ++ peak 987 Upper HA CYS 369 - HB2 TRP 372 5.50 10 0.24 0.71 + ++ + +++ +* + peak 2638 Upper HA CYS 369 - HD1 TRP 372 4.48 8 0.11 0.48 +* + ++ +++ peak 2537 Upper HA CYS 369 - HE3 TRP 372 4.43 14 0.20 0.41 ++++ ++* + +++++ + peak 123 Upper HA CYS 369 - HB3 LEU 373 4.04 20 1.32 2.42 ++++++++*+++++++++++ peak 2555 Upper HB2 CYS 369 - HB3 LEU 373 4.17 18 0.53 1.18 +++++ *++++++++++++ peak 2561 HB2 CYS 369 - QG2 VAL 388 Upper HB2 CYS 369 - HB3 LEU 373 4.57 7 0.19 0.95 * ++ + + + + peak 2563 HB2 CYS 369 - QD1 LEU 387 Upper HB2 CYS 369 - HB3 LEU 373 4.36 19 1.10 2.24 +++++++ +++++*++++++ peak 2564 Upper HB3 CYS 369 - HB3 LEU 373 4.33 18 1.15 2.20 +++*+++++++++++++ + peak 2562 Upper HB3 CYS 369 - HB3 LEU 373 4.23 10 0.27 1.12 + ++*+ +++++ peak 2557 HB3 CYS 369 - QG2 VAL 388 Upper HB3 CYS 369 - HB3 LEU 373 4.57 7 0.16 0.72 ++ + + ++ * peak 2560 HB3 CYS 369 - QD1 LEU 387 Upper HB3 CYS 369 - H VAL 388 4.45 20 1.40 2.03 ++++++++*+++++++++++ peak 1116 Upper HB3 CYS 369 - QG2 VAL 388 3.71 19 1.18 2.98 ++++++++*++++++++++ peak 8232 Upper HA ARG 370 - HG3 ARG 370 4.15 8 0.07 0.11 + ++ ++ ++* peak 2589 Upper HA ARG 370 - HD2 ARG 370 3.72 11 0.17 0.62 + + ++*++ ++ + + peak 214 Upper HA ARG 370 - HD2 PRO 375 4.19 13 0.48 1.18 ++ ++ + +++ +++*+ peak 2687 Upper HA ARG 370 - HD3 PRO 375 4.12 9 0.24 1.02 ++ ++ * + ++ + peak 2688 Upper QB ARG 370 - H GLN 371 3.35 12 0.14 0.47 + ++ + +* +++++ + peak 276 Upper HG2 ARG 370 - H ARG 374 4.60 10 0.26 1.17 *+ + ++++ + ++ peak 3659 Upper HG2 ARG 370 - QD1 LEU 384 3.58 17 0.59 1.42 +++++ + ++*++++++++ peak 2574 HG2 ARG 370 - QD1 LEU 387 Upper HG3 ARG 370 - H ARG 374 5.50 16 0.39 1.07 +++ +++++ *+++++ ++ peak 2604 Upper HG3 ARG 370 - QD1 LEU 384 3.90 16 0.57 1.17 +++ +++ ++*+++++ ++ peak 2572 HG3 ARG 370 - QD1 LEU 387 Upper HD2 ARG 370 - HA GLN 371 4.59 16 0.57 2.27 +* +++++++++ + ++++ peak 2592 Upper HD2 ARG 370 - HH2 TRP 372 4.74 18 0.59 1.48 + ++++++*+++++ +++++ peak 2601 Upper HD2 ARG 370 - H ARG 374 5.50 16 0.68 1.44 +++ ++*++++++ + + ++ peak 2606 Upper HD2 ARG 370 - QD1 LEU 384 4.45 13 0.31 0.78 *+ +++ ++++++ + + peak 2570 HD2 ARG 370 - QD1 LEU 387 Upper HD3 ARG 370 - HH2 TRP 372 5.08 19 0.85 1.78 + *+++++++++++++++++ peak 2602 Upper HD3 ARG 370 - H ARG 374 5.01 19 0.81 1.66 + +++++++++++++*++++ peak 2605 Upper HD3 ARG 370 - QD1 LEU 384 4.58 15 0.42 0.98 ++ +++ ++*+++++ ++ peak 2567 HD3 ARG 370 - QD1 LEU 387 Upper H GLN 371 - HG3 GLN 371 3.60 9 0.15 0.69 ++ + + + ++* + peak 272 Upper H GLN 371 - QD1 LEU 384 4.66 10 0.16 0.62 *++ + + ++ ++ + peak 277 H GLN 371 - QD1 LEU 387 Upper HB3 TRP 372 - H LEU 373 4.24 19 0.24 0.35 +++++++++++*++++++ + peak 2641 Upper HB3 TRP 372 - HB3 LEU 373 5.50 10 0.17 0.53 + + ++ * +++ ++ peak 2634 Upper HE3 TRP 372 - QD1 LEU 387 4.42 16 0.96 1.99 +++ +++++ ++++ +++* peak 3094 Upper HE1 TRP 372 - HB3 LEU 373 5.11 20 0.39 0.67 +++++++++++*++++++++ peak 260 HE1 TRP 372 - QD1 LEU 386 Upper HE1 TRP 372 - HB3 LEU 373 5.32 18 0.25 0.50 +++++++++ +*++ +++++ peak 255 Upper HE1 TRP 372 - HB3 LEU 373 5.05 20 0.47 0.72 +++++*++++++++++++++ peak 259 HE1 TRP 372 - QD2 LEU 386 Upper HE1 TRP 372 - QD2 LEU 373 5.50 7 0.11 0.70 * + + + + + + peak 1791 Upper HE1 TRP 372 - HA LEU 387 5.31 20 2.44 2.91 ++++++++++++++*+++++ peak 250 Upper HE1 TRP 372 - HB2 LEU 387 4.79 20 1.57 2.40 +++++++++*++++++++++ peak 252 Upper HZ2 TRP 372 - HB3 LEU 373 4.16 16 0.24 0.55 ++ ++++++ +*++++++ peak 191 Upper HZ2 TRP 372 - HB3 LEU 373 4.18 13 0.18 0.43 + ++++ + ++ ++++* peak 193 HZ2 TRP 372 - QD2 LEU 386 Upper HZ2 TRP 372 - QD1 LEU 386 4.64 20 1.87 3.74 ++++++++++++++++*+++ peak 3081 Upper HZ2 TRP 372 - QD2 LEU 386 4.06 17 0.51 1.49 +++++++++ +++*++++ peak 3078 HH2 TRP 372 - QD2 LEU 386 H ARG 403 - QD2 LEU 422 Upper HZ2 TRP 372 - HA LEU 387 4.43 20 0.76 1.31 ++++++++++++++*+++++ peak 121 Upper HZ2 TRP 372 - HG LEU 387 4.18 7 0.16 1.41 * ++ + + ++ peak 190 Upper HH2 TRP 372 - HA LEU 387 3.94 20 0.82 1.49 ++++++++++++++*+++++ peak 120 Upper H LEU 373 - QD1 LEU 373 3.80 19 0.69 1.03 *+++++++ +++++++++++ peak 755 Upper H LEU 373 - QD ARG 374 5.50 6 0.09 0.51 + + +* + + peak 2669 Upper HB2 LEU 373 - HD3 PRO 375 4.80 13 0.33 0.87 + + +++ + +*+++ ++ peak 2679 HB3 LEU 373 - HD3 PRO 375 Upper HB2 LEU 373 - HG3 MET 383 4.82 15 0.79 2.21 ++ ++ +++++* ++++ + peak 1903 Upper HB3 LEU 373 - HD3 PRO 375 5.08 14 0.38 0.89 + + +++ ++ +*+++ ++ peak 2681 Upper HB3 LEU 373 - HG3 MET 383 5.50 13 0.48 1.58 ++ ++ +++* +++++ peak 1898 Upper HG LEU 373 - QE MET 383 2.71 19 0.86 1.99 +++++++ ++*+++++++++ peak 8122 Upper QD1 LEU 373 - H MET 383 5.16 13 0.43 1.34 * + ++++ + + ++++ + peak 1073 Upper QD1 LEU 373 - HA MET 383 4.58 14 0.62 1.94 *+++++++ +++ ++ + peak 1924 Upper QD1 LEU 373 - QE MET 383 3.11 12 0.46 1.41 + + ++ + ++++ + *+ peak 1635 Upper QD1 LEU 373 - QE MET 383 3.30 7 0.12 0.50 * + ++ + ++ peak 1921 QD1 LEU 373 - QB LEU 384 QD1 LEU 73 - QB LEU 384 Upper QD1 LEU 373 - H LEU 386 5.50 14 0.25 0.55 +++*+++ ++++ + ++ peak 1100 H LEU 86 - QD1 LEU 373 Upper QD1 LEU 373 - H LEU 387 4.80 20 1.07 1.77 +++*++++++++++++++++ peak 1103 Upper QD1 LEU 373 - H LEU 387 5.50 6 0.11 0.76 * + + + + + peak 1927 QD1 LEU 73 - H LEU 387 Upper QD1 LEU 373 - HB2 LEU 387 5.50 7 0.12 0.60 * ++ + +++ peak 3130 HB2 LEU 87 - QD1 LEU 373 Upper QD1 LEU 373 - QD1 LEU 387 2.92 12 0.19 0.69 ++ ++ + *+ ++++ + peak 3115 Upper QD1 LEU 373 - QD2 LEU 387 3.13 9 0.15 0.72 + + *++ ++++ peak 3110 QD2 LEU 87 - QD1 LEU 373 Upper QD2 LEU 373 - H MET 383 5.50 7 0.18 0.89 + + ++ *++ peak 1072 Upper QD2 LEU 373 - HA MET 383 3.96 18 1.06 2.03 ++ ++++++++++++*++ + peak 1784 Upper QD2 LEU 373 - HB3 MET 383 4.99 10 0.33 1.05 ++ ++ + ++ ++* peak 2964 Upper QD2 LEU 373 - HA LEU 386 5.50 20 1.05 1.61 *+++++++++++++++++++ peak 1785 Upper QD2 LEU 373 - HB3 LEU 386 4.07 20 1.85 2.66 ++++++++++++++++++*+ peak 3065 Upper QD2 LEU 373 - QD1 LEU 386 2.98 10 0.36 1.49 *++ ++ + + + ++ peak 3068 Upper H ARG 374 - QG2 VAL 377 5.02 6 0.11 0.61 + *+ + ++ peak 1739 Upper HB2 ARG 374 - QD ARG 374 3.12 6 0.09 0.39 +* + + + + peak 1270 Upper HB3 ARG 374 - H GLU 376 3.87 20 0.69 1.26 ++++++++++++++++++*+ peak 1012 Upper QG ARG 374 - H LEU 384 4.18 17 0.90 1.96 +++++++ ++ ++++++*+ peak 2673 Upper QD ARG 374 - H MET 383 5.29 13 0.62 1.83 ++ ++*+ + + +++++ peak 1066 Upper HA PRO 375 - QG1 VAL 377 3.96 20 1.52 1.95 ++++++++++++++++++*+ peak 2694 Upper HA PRO 375 - QE MET 383 4.31 17 0.59 1.34 +++++++*+ +++ +++++ peak 1643 Upper HA PRO 375 - QD1 LEU 384 3.95 20 1.68 2.09 ++++++++++++++++++*+ peak 3007 Upper QB PRO 375 - QD LYS 380 4.42 11 0.33 1.10 ++++ ++ *+ +++ peak 2879 Upper QB PRO 375 - HE2 LYS 380 5.50 11 0.21 1.17 ++ ++* ++++ + + peak 2874 Upper QB PRO 375 - QD1 LEU 384 4.03 20 1.64 1.93 ++++*+++++++++++++++ peak 2697 Upper HD2 PRO 375 - QG2 VAL 377 4.93 15 0.62 1.51 ++++++++ + +* + +++ peak 1735 QG2 VAL 77 - HD2 PRO 375 Upper HD2 PRO 375 - QD1 LEU 384 3.59 12 0.31 0.69 ++ +* ++++++++ peak 3006 Upper HD3 PRO 375 - QD1 LEU 384 3.09 18 0.60 1.09 *+++++++ ++++++++ ++ peak 8315 Upper H GLU 376 - QG2 VAL 377 4.24 8 0.39 1.35 + *+++ + ++ peak 1741 Upper HG2 GLU 376 - H VAL 377 4.19 9 0.14 0.53 + * + + + + + + + peak 1015 Upper HG2 GLU 376 - QG1 VAL 377 3.49 6 0.11 0.52 + ++ + *+ peak 2779 Upper HG3 GLU 376 - H VAL 377 4.74 8 0.18 0.74 ++ * ++ + ++ peak 2755 Upper HB VAL 377 - QE MET 383 2.95 14 0.61 1.07 ++ ++ ++++++ +++* peak 1638 Upper H ARG 378 - HD2 ARG 378 5.47 6 0.08 0.35 + + + * ++ peak 2835 Upper H ARG 378 - HD3 ARG 378 5.50 8 0.10 0.42 + + + ++ + + * peak 2837 Upper HB2 ARG 378 - HG2 MET 383 5.50 17 0.42 0.87 + + ++++++++++++* ++ peak 2780 Upper HB3 ARG 378 - HG2 MET 383 4.98 13 0.36 0.98 + + +++++*+ +++ + peak 2946 Upper HB3 ARG 378 - HG3 MET 383 5.08 10 0.33 1.10 + + +*+ ++ ++ + peak 2953 Upper HB3 ARG 378 - QE MET 383 2.84 7 0.07 0.37 + + +* ++ + peak 1645 Upper HD2 ARG 378 - QE MET 383 4.65 8 0.10 0.51 + + + +* +++ peak 1642 Upper H SER 379 - H MET 383 5.50 9 0.16 0.84 + ++ +*+ ++ + peak 349 Upper HA SER 379 - H GLU 381 3.85 10 0.24 1.25 + + * +++ ++ + + peak 344 HB2 SER 379 - H GLU 381 Upper HB2 SER 379 - HG2 GLU 381 5.43 7 0.14 0.61 + *+ ++ + + peak 3034 Upper HB3 SER 379 - H GLU 381 4.06 12 0.38 1.43 + + * +++++++ + + peak 346 Upper HA LYS 380 - H MET 383 4.89 11 0.31 1.00 + +*+++ ++++ + peak 2903 Upper HA LYS 380 - HB3 MET 383 4.83 15 0.35 0.59 +++++++++ ++ +* ++ peak 2990 HB3 MET 383 - HA LEU 384 Upper HA LYS 380 - QE MET 383 3.00 18 0.79 2.44 +++++++*++++++++ ++ peak 1639 Upper HA LYS 380 - H LEU 384 5.18 10 0.44 1.51 + ++++* ++ + + peak 2904 Upper HB2 LYS 380 - H GLU 381 3.11 7 0.14 0.72 ++ + + *++ peak 1049 Upper HB2 LYS 380 - QD1 LEU 384 5.24 14 0.32 1.00 + ++ ++ ++* ++++ ++ peak 2860 Upper HB3 LYS 380 - H GLN 382 4.22 7 0.25 1.43 + + + + + * + peak 1060 Upper HB3 LYS 380 - QD1 LEU 384 5.44 11 0.31 1.00 + + ++ +++ ++*+ peak 2849 Upper QD LYS 380 - QD1 LEU 384 4.56 17 0.55 1.75 +++++++++*+++++ ++ peak 2853 Upper HE2 LYS 380 - H GLN 382 5.50 13 0.34 0.95 ++ ++ +* +++ ++++ peak 1054 Upper H GLU 381 - H MET 383 4.52 9 0.23 0.71 *+++ + + + ++ peak 350 Upper H GLU 381 - QE MET 383 4.70 14 0.47 1.64 + +++++*+ ++++ ++ peak 1649 Upper H GLU 381 - H LEU 384 5.50 10 0.42 1.33 +++* + + + + ++ peak 337 Upper HA GLU 381 - H LEU 384 5.22 7 0.19 0.98 +++ + + * + peak 2917 Upper H GLN 382 - HB3 MET 383 4.58 15 0.65 1.39 ++++++++ + ++ ++ +* peak 1061 Upper H GLN 382 - HG2 MET 383 5.50 7 0.32 1.25 *+++ ++ + peak 2982 Upper HA MET 383 - HG3 MET 383 3.60 10 0.25 0.64 +*++ + + + ++ + peak 2971 Upper HA MET 383 - QE MET 383 4.35 10 0.19 0.59 + + +++* + + ++ peak 2976 HA MET 383 - HB2 LEU 386 Upper HA MET 383 - QE MET 383 4.45 11 0.28 0.90 + + +++* + ++ ++ peak 1640 Upper HA MET 383 - H LEU 386 3.96 20 0.80 1.66 +++++++++++*++++++++ peak 382 Upper HA MET 383 - QD2 LEU 386 4.33 8 0.30 1.26 ++ * ++ + ++ peak 2975 Upper HB2 MET 383 - QE MET 383 3.66 12 0.30 0.63 *+++++ + + ++ ++ peak 2977 Upper HB2 MET 383 - QD1 LEU 384 3.83 10 0.21 0.70 + ++++* + +++ peak 3004 Upper HB3 MET 383 - QD1 LEU 384 4.33 8 0.17 1.24 + ++ + + + * + peak 2962 Upper HG3 MET 383 - QD1 LEU 386 4.91 6 0.08 0.39 *++ + + + peak 3056 Upper HA LEU 384 - H VAL 388 5.50 9 0.25 0.98 + ++ + + *+ + + peak 3020 Upper QB LEU 384 - QD2 LEU 387 3.08 19 0.50 1.40 ++++++++++++++ *++++ peak 3114 Upper QB LEU 384 - H VAL 388 5.25 8 0.22 1.20 * ++ + ++ + + peak 3015 Upper QD1 LEU 384 - H LEU 386 4.57 20 0.77 1.23 ++++++++++++*+++++++ peak 3023 Upper H GLU 385 - QD2 LEU 386 4.42 9 0.34 1.37 *+ + + + + + ++ peak 1090 Upper H GLU 385 - H VAL 388 5.50 9 0.11 0.39 + ++ ++ +* ++ peak 368 H VAL 388 - H GLN 391 Upper H GLU 385 - QG2 VAL 388 4.62 20 0.70 1.47 +++++++++++*++++++++ peak 1089 Upper HA GLU 385 - QG2 VAL 388 3.66 6 0.14 0.97 +++ + + * peak 3151 Upper H LEU 386 - HG LEU 387 4.34 18 0.63 1.35 +++++++++ ++++*++++ peak 3099 Upper H LEU 386 - QD2 LEU 387 4.85 17 0.32 0.56 ++++++++++ ++* ++++ peak 1097 H LEU 86 - QD2 LEU 387 Upper HA LEU 386 - QD2 LEU 386 3.59 6 0.12 0.53 + + * +++ peak 827 Upper HA LEU 386 - H LEU 389 4.40 9 0.33 1.29 ++ + + +* +++ peak 3088 Upper HA LEU 386 - HB2 LEU 389 4.50 10 0.29 1.22 ++ + + ++ + ++* peak 1888 Upper HA LEU 386 - HB3 LEU 389 5.35 12 0.70 2.09 + ++ +++ ++ + ++* peak 1886 Upper HA LEU 386 - H GLU 390 5.46 14 1.02 1.90 ++ ++ +++ +*++ +++ peak 3087 Upper HB3 LEU 386 - H LEU 387 4.05 6 0.07 0.25 + + + + * + peak 1108 Upper HG LEU 386 - H LEU 387 3.07 15 0.30 0.84 ++ ++++++++ *++++ peak 1109 H LEU 387 - HG LEU 387 Upper HG LEU 386 - H LEU 387 4.46 6 0.19 0.80 + + + * + + peak 3076 Upper HG LEU 386 - H VAL 388 4.73 10 0.16 0.59 ++ +++ * ++++ peak 1118 HG LEU 387 - H VAL 388 Upper QD2 LEU 386 - HB2 LEU 387 3.72 20 1.26 2.82 +++++*++++++++++++++ peak 3052 Upper QD2 LEU 386 - QD1 LEU 387 2.40 13 0.61 1.26 +* ++++ ++ +++ ++ peak 3049 Upper H LEU 387 - HB2 LEU 387 3.37 10 0.12 0.33 +++ + ++ ++ * + peak 1110 Upper H LEU 387 - H LEU 389 5.49 10 0.22 1.00 + ++ ++ +++ *+ peak 366 Upper HA LEU 387 - H GLU 390 5.13 16 0.41 0.84 +++++ +++ +++* ++++ peak 407 Upper HB3 LEU 387 - H VAL 388 3.82 6 0.10 0.56 + + + *+ + peak 1119 Upper HG LEU 387 - H VAL 388 5.00 7 0.17 0.88 ++ ++ * + + peak 3102 Upper QD2 LEU 387 - H VAL 388 4.37 8 0.12 0.41 + ++ ++ *+ + peak 3093 QD2 LEU 87 - H VAL 388 Upper H VAL 388 - H GLU 390 4.75 13 0.25 1.14 + ++ +++ ++* +++ + peak 405 Upper HA VAL 388 - H GLN 391 4.86 11 0.19 0.62 ++ + +++ +* +++ peak 3155 Upper HA VAL 388 - H PHE 392 5.04 14 0.51 1.03 ++ +* +++ ++++ +++ peak 3158 Upper HB VAL 388 - H PHE 392 5.50 19 1.03 1.90 +++++++++++*+ ++++++ peak 1165 Upper QG1 VAL 388 - H GLN 391 4.72 8 0.16 0.63 ++ ++ + ++ * peak 1159 H GLN 91 - QG1 VAL 388 Upper QG1 VAL 388 - H PHE 392 4.61 6 0.11 0.49 ++ * + + + peak 1169 H PHE 92 - QG1 VAL 388 Upper QG1 VAL 388 - QD PHE 392 4.98 10 0.29 0.94 ++ * + + + ++ + + peak 2760 Upper QG1 VAL 388 - HA PRO 412 4.37 16 0.67 1.44 +* ++++++ ++++ +++ + peak 3743 Upper QG1 VAL 388 - HB2 PRO 412 3.96 8 0.17 0.91 ++ + +* ++ + peak 3794 Upper QG1 VAL 388 - HG2 PRO 412 4.27 9 0.29 1.20 + ++ + + + +* + peak 3789 Upper QG1 VAL 388 - HG3 PRO 412 3.65 10 0.71 2.59 + + ++* ++ + ++ peak 3777 Upper QG2 VAL 388 - HG2 PRO 412 5.30 10 0.60 1.63 +* ++ + ++ + + + peak 3788 Upper H LEU 389 - QD2 LEU 389 3.95 15 0.23 0.41 ++ ++ +++ +++ +++*+ peak 3198 Upper H LEU 389 - HB2 PHE 392 5.50 6 0.27 1.63 + ++ + * + peak 473 Upper H LEU 389 - HG2 PRO 412 4.67 13 0.51 1.22 +* ++ +++ + + ++ + + peak 3811 Upper HA LEU 389 - QD2 LEU 389 2.93 11 0.28 1.01 *++ + +++ ++ ++ peak 856 Upper HB2 LEU 389 - H GLU 390 3.45 16 0.72 1.14 ++ ++++++++++ +*++ peak 1144 Upper HB2 LEU 389 - HA PRO 412 4.85 7 0.14 0.69 * ++ +++ + peak 3741 HA PRO 412 - HG3 GLU 414 Upper HB3 LEU 389 - H GLU 390 4.21 16 0.29 0.42 *+ ++++++++++ ++++ peak 1146 Upper QD1 LEU 389 - HA2 GLY 410 4.69 20 0.82 1.53 +++++++++++++++++++* peak 3713 Upper QD1 LEU 389 - HA3 GLY 410 4.76 6 0.16 0.98 + + * + + + peak 3715 Upper QD1 LEU 389 - H SER 411 4.28 11 0.35 1.23 *++ +++++ + + + peak 3194 Upper QD2 LEU 389 - HG3 PRO 412 3.34 12 0.40 1.45 *++++ + + + ++++ peak 3776 Upper QD2 LEU 389 - QB ALA 415 4.58 6 0.24 2.06 + * + + + + peak 1680 Upper HA GLN 391 - HE21 GLN 391 5.15 16 0.70 1.33 ++++* +++ ++++ ++++ peak 1859 Upper HA GLN 391 - HE21 GLN 391 5.50 7 0.09 0.29 +* + ++ + + peak 415 HE21 GLN 391 - HA PHE 392 Upper HA GLN 391 - HE22 GLN 391 5.42 8 0.20 1.11 * +++ ++ + + peak 1858 Upper HA GLN 391 - H LEU 393 5.50 6 0.34 1.24 + + + + +* peak 1863 Upper HA GLN 391 - HA2 GLY 394 5.01 20 0.94 1.72 +*++++++++++++++++++ peak 3220 Upper HA GLN 391 - H ALA 395 5.50 8 0.41 1.60 + + + ++ + *+ peak 1860 Upper HE21 GLN 391 - HA ALA 395 5.47 19 1.15 3.06 +++++* +++++++++++++ peak 416 Upper HE22 GLN 391 - H ALA 395 5.05 12 0.84 2.38 +* +++ + ++++ ++ peak 446 Upper H PHE 392 - H LEU 393 3.91 7 0.22 0.73 + + + + + *+ peak 421 Upper H PHE 392 - QB ALA 395 5.21 6 0.16 1.06 * + + + ++ peak 1728 Upper HA PHE 392 - HB2 LEU 393 5.50 7 0.12 0.47 ++ + + * ++ peak 3277 Upper HA PHE 392 - QB ALA 395 3.60 6 0.18 0.88 + + + * ++ peak 1716 Upper HB2 PHE 392 - H GLY 394 4.63 7 0.11 0.58 ++ ++* + + peak 437 Upper QD PHE 392 - HG LEU 393 5.17 8 0.14 0.70 * + ++ + + ++ peak 3284 Upper QD PHE 392 - QD2 LEU 393 3.34 14 0.64 1.61 +* ++++++ ++ + +++ peak 149 Upper QD PHE 392 - QD1 LEU 396 3.70 7 0.12 0.58 + * ++ +++ peak 3353 H LEU 396 - QD1 LEU 396 QD1 LEU 96 - H LEU 396 Upper QD PHE 392 - QD1 LEU 396 3.90 19 0.76 1.33 +++++++++ +++++++*++ peak 148 Upper QD PHE 392 - QD2 LEU 396 4.53 19 1.16 1.93 ++ +++++++++++++++*+ peak 153 Upper QD PHE 392 - HA GLN 401 5.39 16 0.64 1.35 +++ ++++ ++ ++*++ ++ peak 3521 H LEU 396 - HA GLN 401 Upper QD PHE 392 - QB ALA 415 3.62 13 0.41 1.28 ++ + *++ ++++ +++ peak 1687 Upper QD PHE 392 - QG1 VAL 419 4.13 20 1.35 1.89 +++++++++++*++++++++ peak 151 Upper QE PHE 392 - QD2 LEU 393 3.78 16 0.64 2.22 +* +++++++++ +++++ peak 164 Upper QE PHE 392 - QB ALA 395 4.22 11 0.28 1.17 ++ + +++ *++ + + peak 160 Upper QE PHE 392 - QB ALA 415 3.23 9 0.20 1.05 ++ * + ++ +++ peak 180 Upper QE PHE 392 - H VAL 419 5.50 15 0.39 0.83 ++ +++++* ++ +++ ++ peak 582 Upper QE PHE 392 - QG1 VAL 419 3.61 14 0.27 0.79 ++ ++++++ +* +++ + peak 3973 Upper QE PHE 392 - QG2 VAL 419 4.78 13 0.36 1.07 ++ ++++++ +* +++ peak 3977 Upper HZ PHE 392 - QD2 LEU 396 4.18 14 0.50 1.68 ++ ++ + +++ *++++ + peak 183 Upper HZ PHE 392 - QB ALA 415 4.21 12 0.66 1.89 ++ * +++ ++ + +++ peak 178 Upper HZ PHE 392 - QG1 VAL 419 3.93 11 0.26 0.75 ++ ++ ++* ++ ++ peak 174 Upper HZ PHE 392 - QG2 VAL 419 3.75 20 1.03 2.05 ++++++++*+++++++++++ peak 181 Upper H LEU 393 - HG LEU 393 4.42 11 0.12 0.37 ++* + + + + ++++ peak 3285 Upper H LEU 393 - QD2 LEU 393 3.49 13 0.45 1.01 ++ ++ *++ ++ + +++ peak 767 Upper H LEU 393 - QD1 LEU 396 5.50 11 0.35 1.13 + + ++ ++++ ++* peak 3357 Upper HA LEU 393 - HG LEU 396 4.26 14 1.33 2.79 ++ ++ +++ +* + +++ + peak 3330 HG LEU 96 - HA2 GLY 394 Upper HA LEU 393 - QD1 LEU 396 3.93 6 0.10 0.57 + + + + +* peak 3261 Upper HA LEU 393 - QD2 LEU 396 5.50 11 0.23 1.03 ++++ + + +* +++ peak 3260 HA LEU 93 - QD2 LEU 396 Upper HA LEU 393 - HE21 GLN 401 3.56 13 0.33 0.83 +* +++ ++ +++ ++ + peak 455 HE21 GLN 101 - HA3 GLY 394 Upper HA LEU 393 - HE22 GLN 401 3.73 8 0.18 0.65 ++ + +*+ ++ peak 456 HE22 GLN 101 - HA2 GLY 394 HE22 GLN 101 - HA3 GLY 394 Upper HA LEU 393 - HE22 GLN 405 5.50 9 0.20 0.79 + ++ + + +++ * peak 521 Upper HB2 LEU 393 - QD1 LEU 396 5.50 14 0.34 1.01 + ++ + + ++++ * ++++ peak 3258 HB2 LEU 93 - QD1 LEU 396 Upper HB3 LEU 393 - HE21 GLN 401 4.96 8 0.22 1.05 + + + + * +++ peak 1199 HE21 GLN 401 - QB ALA 415 Upper HG LEU 393 - QD1 LEU 396 4.61 15 1.10 2.39 + + ++ +++ + +*+++++ peak 3265 Upper QD1 LEU 393 - H GLN 405 5.50 10 0.60 2.30 ++ + ++++ * ++ peak 3301 Upper QD1 LEU 393 - HA GLN 405 3.79 20 1.39 3.07 ++++++++++++++*+++++ peak 3279 Upper QD1 LEU 393 - QG GLN 405 3.37 20 1.08 2.34 ++++++++++++++*+++++ peak 3599 Upper QD1 LEU 393 - HE21 GLN 405 5.48 11 0.18 0.73 ++++ + ++ + + *+ peak 1224 Upper QD1 LEU 393 - HE22 GLN 405 4.70 10 0.13 0.55 *++ + ++ + + ++ peak 1230 Upper QD1 LEU 393 - HG3 PRO 409 3.46 8 0.60 2.58 ++ + * + + ++ peak 3270 Upper QD1 LEU 393 - HD3 PRO 409 4.84 7 0.46 1.84 + + * + + ++ peak 3275 Upper QD1 LEU 393 - H ALA 415 5.03 7 0.52 2.27 + + * + + ++ peak 3299 QD1 LEU 93 - H ALA 415 Upper QD2 LEU 393 - QD1 LEU 396 3.05 17 0.74 2.36 +*+++++ +++++++ +++ peak 3318 Upper QD2 LEU 393 - H GLN 405 4.81 8 0.33 1.73 ++ + + + * ++ peak 3295 Upper QD2 LEU 393 - QG GLN 405 3.99 6 0.21 1.54 + + + * ++ peak 3269 Upper QD2 LEU 393 - HD3 PRO 409 4.15 15 0.73 1.65 +++ +++ + ++++++*+ peak 3276 Upper H ALA 395 - QD2 LEU 396 4.77 7 0.42 1.82 + + + + + +* peak 1112 H ALA 95 - QD2 LEU 396 Upper H LEU 396 - HG LEU 396 3.38 18 1.02 1.71 +++ +*++ +++++++++++ peak 1185 Upper H LEU 396 - HG3 GLN 401 4.41 9 0.31 1.16 + ++ +* ++ ++ peak 1184 Upper HB2 LEU 396 - HA GLN 401 4.67 7 0.16 0.96 *+ + + + + + peak 3509 Upper HG LEU 396 - QG1 VAL 419 3.43 12 0.33 0.98 +++ + + ++ *+ + + + peak 3952 Upper HG LEU 396 - QG2 VAL 419 4.54 9 0.30 1.32 ++ + *+ + + + + peak 3956 Upper QD1 LEU 396 - H ILE 400 4.55 12 0.36 1.07 ++++* ++ + ++ ++ peak 234 Upper QD1 LEU 396 - HA VAL 404 5.50 7 0.17 0.69 + ++ + +* + peak 3590 Upper QD1 LEU 396 - H GLN 405 4.70 12 0.21 0.69 +*+ +++ + +++ ++ peak 1220 Upper HA PRO 397 - HG2 GLN 401 4.46 9 0.34 1.11 ++ + + *+ + + + peak 3518 Upper HD3 PRO 397 - HB ILE 400 5.02 6 0.12 0.69 + * ++ ++ peak 3378 Upper HB2 PRO 398 - QB ALA 402 4.20 12 0.54 1.74 *+ + ++ ++ +++ ++ peak 1796 Upper HA GLU 399 - QG2 ILE 400 5.11 6 0.08 0.39 + +* +++ peak 2034 Upper QG GLU 399 - H ALA 402 5.50 12 0.20 0.67 + ++++++ ++ ++ * peak 2241 Upper H ILE 400 - HG3 GLN 401 5.04 13 0.43 1.42 +++ +++++*++ ++ peak 4102 Upper HA ILE 400 - H VAL 404 4.85 7 0.14 0.71 * + + ++ ++ peak 737 Upper HB ILE 400 - H GLN 401 3.23 18 0.42 0.76 +++++++ +*+++++++ ++ peak 1136 Upper QG2 ILE 400 - QB ARG 423 4.18 6 0.20 0.86 ++ + * + + peak 4039 QD2 LEU 422 - QB ARG 423 Upper HG12 ILE 400 - QG1 VAL 419 3.90 11 0.29 1.25 +++ ++ ++ ++ + * peak 3953 Upper QD1 ILE 400 - QD ARG 423 4.20 6 0.18 0.66 + ++ + + * peak 4026 QD2 LEU 422 - QD ARG 423 Upper QD1 ILE 400 - QD ARG 423 4.30 12 0.41 0.90 ++ ++ +++ *+ +++ peak 2729 Upper H GLN 401 - HE22 GLN 401 5.50 11 0.42 1.13 + *+ + + + +++ ++ peak 482 HE22 GLN 401 - H ALA 416 Upper HA GLN 401 - HE22 GLN 401 4.97 6 0.08 0.34 + + + + *+ peak 477 Upper HA GLN 401 - H ARG 403 3.80 9 0.14 0.58 + + ++ ++ * + + peak 244 Upper HB3 GLN 401 - QQG VAL 404 3.58 16 0.27 0.79 + ++++++ +*++++++ + peak 3512 Upper HE22 GLN 401 - QB ALA 415 5.45 17 0.55 1.22 + ++++++ + +*+++++++ peak 1207 Upper HA ALA 402 - QG GLN 405 4.65 15 0.27 0.54 ++++ ++*+++++ + ++ peak 1588 Upper HA ALA 402 - HE21 GLN 405 4.75 16 0.28 0.54 +++ ++++*+++++ +++ peak 496 Upper HA ALA 402 - HE22 GLN 405 5.03 7 0.29 1.63 + + ++* + + peak 497 Upper QB ALA 402 - HE21 GLN 405 5.50 17 0.39 0.82 ++++ +++++++++* +++ peak 1223 Upper HA ARG 403 - HG LEU 422 5.50 10 0.27 0.87 ++ ++ + + ++* + peak 4004 HA LEU 418 - HG LEU 422 Upper HA VAL 404 - QD2 LEU 418 3.96 13 0.42 1.26 ++ + + + +++++++* peak 3938 Upper QQG VAL 404 - H LEU 422 5.50 19 0.51 1.23 +++*+++++++++++++++ peak 3585 Upper H GLN 405 - HE22 GLN 407 5.50 8 0.11 0.39 + + + ++ + +* peak 512 Upper HA GLN 405 - HE21 GLN 405 4.94 8 0.25 0.84 +*+ + + + ++ peak 517 Upper H GLN 407 - H ARG 408 3.50 8 0.29 0.94 +++ * ++ + + peak 491 Upper QB GLN 407 - HD3 PRO 409 5.10 6 0.13 1.02 + + + + + * peak 3616 Upper H ARG 408 - HG2 PRO 409 4.89 16 0.49 1.52 +++ ++ +*+ ++++++++ peak 1247 Upper HA PRO 409 - H ALA 415 4.43 13 0.59 2.47 +++*+ + ++ + +++ + peak 573 Upper HG3 PRO 409 - HA ALA 415 4.51 7 0.11 0.45 +++ + +* + peak 3887 Upper HD3 PRO 409 - QD1 LEU 418 3.74 11 0.33 1.15 ++ + + ++*+ +++ peak 3670 HD3 PRO 409 - QD2 LEU 418 Upper H GLY 410 - H GLU 414 5.09 19 0.63 1.48 +++++++++++++*+ ++++ peak 539 Upper HA PRO 412 - H ALA 415 4.33 11 0.26 0.96 ++ + +++ *+ +++ peak 3804 Upper HB3 PRO 412 - H GLU 413 4.43 8 0.07 0.24 + +* + + ++ + peak 3808 Upper H GLU 413 - HG3 GLU 413 3.86 7 0.12 0.50 + ++ * + + + peak 1267 Upper H GLU 413 - HG3 GLU 414 5.28 6 0.08 0.48 + *+ + + + peak 3866 Upper HA GLU 413 - H ALA 415 4.07 14 0.74 1.68 +++ + +++*++ ++ ++ peak 567 Upper HA GLU 413 - H ALA 416 3.82 11 0.39 1.14 ++ ++ ++++ +* + peak 975 Upper H GLU 414 - HG2 GLU 414 3.73 13 0.24 0.78 + + + * +++ +++++ + peak 3869 Upper H GLU 414 - QD2 LEU 418 4.90 20 0.60 1.22 +++++++++++++++*++++ peak 1278 Upper HG2 GLU 414 - QD2 LEU 418 4.80 12 0.26 0.97 + * +++ ++ +++ ++ peak 3879 Upper HG3 GLU 414 - QD2 LEU 418 4.46 11 0.23 0.70 +++ + + + ++ *++ peak 3876 Upper H ALA 415 - QD2 LEU 418 4.32 11 0.16 0.57 + + + + + +++* ++ peak 3917 Upper QB ALA 415 - H ALA 417 3.72 14 0.40 1.24 +++ ++ +*+ + +++ ++ peak 1295 Upper H ALA 416 - QB ALA 417 3.81 18 0.57 0.91 +++++ ++*+++++++++ + peak 1693 Upper HA ALA 416 - QG2 VAL 419 4.00 8 0.21 1.06 + + +++ + +* peak 1759 Upper HA ALA 416 - H ASP 420 5.06 12 0.49 1.21 ++ + *++ ++ + +++ peak 624 Upper QB ALA 416 - H ALA 417 3.11 6 0.08 0.43 ++ + + + * peak 1294 Upper H ALA 417 - QG1 VAL 419 4.55 8 0.19 0.88 +++*+ + + + peak 1298 Upper HA ALA 417 - HB2 ASP 420 3.57 7 0.18 0.95 ++* ++ + + peak 3900 Upper HA ALA 417 - HB3 ASP 420 3.58 15 0.41 1.17 +++ + *++++++ ++++ peak 1485 Upper QB ALA 417 - HB2 ASP 420 4.40 8 0.16 0.75 + * +++ + ++ peak 1490 Upper H LEU 418 - QG2 VAL 419 4.50 11 0.47 1.37 + + +*+ ++ + + ++ peak 8191 Upper HG LEU 418 - HA VAL 419 5.50 18 0.56 0.97 +++*+ + ++++++++++++ peak 3943 Upper QD1 LEU 418 - H VAL 419 3.28 18 0.80 1.09 +++++++ ++++++*+++ + peak 1313 Upper HA VAL 419 - HB3 LEU 422 5.50 14 0.42 0.98 ++ ++ ++++ * + +++ + peak 1879 Upper HA VAL 419 - HG LEU 422 4.66 8 0.09 0.34 + + ++ + *++ peak 4002 Upper HA VAL 419 - QD1 LEU 422 3.61 9 0.17 0.71 ++ + * ++ + + + peak 4006 Upper QG1 VAL 419 - H LEU 422 5.50 14 0.21 0.42 *+ ++ + ++++ + +++ + peak 1328 Upper QG2 VAL 419 - QD ARG 423 4.49 7 0.09 0.39 * + + + + + + peak 1756 Upper H ASP 420 - QD ARG 423 5.50 18 0.42 0.80 +++++ *+++++ +++++++ peak 4042 Upper HA ASP 420 - HG3 ARG 423 4.60 13 0.57 1.28 ++ ++ *++ ++ + +++ peak 4032 Upper HA ASP 420 - QD ARG 423 3.62 6 0.07 0.34 ++ * + + + peak 4027 Upper H GLY 421 - HG LEU 422 4.83 9 0.16 0.62 * +++ + + ++ + peak 1318 Upper QA GLY 421 - HB3 LEU 422 5.50 9 0.09 0.17 +* +++ + + + + peak 3608 Upper QA GLY 421 - HG LEU 422 4.68 9 0.18 0.57 ++ + + +++ +* peak 4003 Upper H LEU 422 - QD2 LEU 422 3.89 7 0.09 0.34 + +*+ +++ peak 3991 Upper HA LEU 422 - QD2 LEU 422 2.84 12 0.27 0.66 *+ ++ + + ++++++ peak 565 VdW C PRO 40 - H ALA 42 2.45 7 0.13 0.42 + ++ +* ++ VdW O PRO 40 - CD1 TRP 72 2.90 11 0.31 0.72 ++ ++ +++ +* + + VdW O PRO 40 - HD1 TRP 72 2.30 11 0.27 0.71 ++ *+ + ++ ++ + + VdW HA GLU 41 - CD1 TRP 72 2.60 10 0.23 0.74 + ++ + * +++++ VdW HA GLU 41 - NE1 TRP 72 2.45 8 0.17 0.58 + + + * +++ + VdW O GLU 41 - N LEU 45 2.75 14 0.26 0.44 +++ + + +++ ++ +++ * VdW O GLU 41 - H LEU 45 1.80 8 0.14 0.33 +* + + +++ + VdW O GLU 41 - HB3 LEU 45 2.30 9 0.15 0.42 + * + ++ + + ++ VdW CB ALA 43 - CD1 TRP 72 3.20 6 0.13 0.40 +*+ ++ + VdW H ARG 44 - CD1 TRP 72 2.55 6 0.13 0.53 * + + + + + VdW CB ARG 44 - NH1 ARG 44 3.10 9 0.18 0.90 +++ + + + + * + VdW CB ARG 44 - HH12 ARG 44 2.55 12 0.38 0.90 +*+ +++ +++ + + + VdW HB2 ARG 44 - CA CYS 69 2.60 6 0.16 0.91 ++ + +*+ VdW CG ARG 44 - NH1 ARG 44 3.10 16 0.39 0.75 +++++++ +++*+++ + + VdW CG ARG 44 - HH12 ARG 44 2.55 16 0.52 1.03 +++++++ +++*+++ + + VdW CG ARG 44 - CE2 PHE 47 3.20 7 0.19 0.78 + + + ++ *+ VdW HG2 ARG 44 - NH1 ARG 44 2.50 8 0.24 0.86 * ++ + + + + + VdW HG2 ARG 44 - HH12 ARG 44 1.95 7 0.22 0.96 * + + + + + + VdW HG3 ARG 44 - CE2 PHE 47 2.60 6 0.17 1.14 + + + + +* VdW CD ARG 44 - CA LEU 68 3.20 6 0.12 0.78 + + + +*+ VdW CD ARG 44 - C LEU 68 3.10 6 0.14 0.63 ++ ++ * + VdW CD ARG 44 - N CYS 69 3.05 10 0.27 0.87 + +++ +* ++ + + VdW CD ARG 44 - H CYS 69 2.55 6 0.10 0.41 + + *+ + + VdW CD ARG 44 - CA CYS 69 3.20 6 0.12 0.47 + + + * ++ VdW CD ARG 44 - CB CYS 69 3.20 9 0.20 0.61 * ++ ++ ++ + + VdW CD ARG 44 - HB2 CYS 69 2.60 7 0.18 0.68 + + *+ ++ + VdW HD3 ARG 44 - CA LEU 68 2.60 7 0.17 0.95 * + ++ +++ VdW HD3 ARG 44 - C LEU 68 2.50 7 0.20 1.09 + ++ ++ * + VdW HD3 ARG 44 - N CYS 69 2.45 9 0.31 1.03 ++ + ++ + + * + VdW NE ARG 44 - CB CYS 69 3.05 8 0.21 0.75 *+ + ++ +++ VdW NE ARG 44 - HB2 CYS 69 2.45 6 0.19 0.82 ++ ++ +* VdW O ARG 44 - CG PHE 47 2.90 7 0.17 0.81 + ++ + * + + VdW O ARG 44 - CD1 PHE 47 2.90 8 0.27 0.89 + * ++ ++ + + VdW O ARG 44 - CE1 PHE 47 2.90 6 0.28 1.33 + *+ + + + VdW O ARG 44 - CE2 PHE 47 2.90 6 0.17 1.14 + +* + ++ VdW O ARG 44 - CD2 PHE 47 2.90 6 0.21 1.07 + * + +++ VdW O ARG 44 - HD2 PHE 47 2.30 6 0.12 0.57 + * + + + + VdW HB2 PHE 47 - OE1 GLN 391 2.30 7 0.14 0.64 ++ ++ + + * VdW CG PHE 47 - CB GLN 391 3.20 9 0.23 0.61 * +++ ++ +++ VdW CG PHE 47 - HB2 GLN 391 2.60 12 0.34 1.01 + ++ +++ ++ + *++ VdW CD1 PHE 47 - C PHE 47 3.10 7 0.15 0.46 + + + ++ + * VdW CD1 PHE 47 - N ARG 48 3.05 8 0.14 0.45 + + ++ ++ + * VdW CD1 PHE 47 - CB GLN 391 3.20 11 0.22 0.75 + ++ +++ ++ ++* VdW CD1 PHE 47 - HB2 GLN 391 2.60 9 0.27 0.78 + + ++ *+ +++ VdW HD1 PHE 47 - C PHE 47 2.50 7 0.12 0.53 + + + ++ + * VdW HD1 PHE 47 - N ARG 48 2.45 8 0.25 0.85 + + ++ ++ + * VdW HD1 PHE 47 - H ARG 48 1.95 7 0.15 0.56 + + ++ +* + VdW CE1 PHE 47 - CA LEU 65 3.20 7 0.15 0.69 ++ + + * + + VdW CE1 PHE 47 - CB LEU 65 3.20 7 0.14 0.50 * + + + + + + VdW CE1 PHE 47 - HB3 GLU 390 2.60 6 0.17 0.79 + * + + ++ VdW CE1 PHE 47 - CB GLN 391 3.20 9 0.15 0.42 + ++ + + +* ++ VdW CZ PHE 47 - HB3 LEU 65 2.60 8 0.16 0.76 + + +* ++ ++ VdW CZ PHE 47 - CB GLU 390 3.20 12 0.29 0.69 ++ ++ +++ ++ * ++ VdW CZ PHE 47 - HB3 GLU 390 2.60 11 0.31 0.78 ++ ++ +++ ++ * + VdW CZ PHE 47 - CG GLU 390 3.20 8 0.17 0.52 + ++ * ++ + + VdW CZ PHE 47 - C GLU 390 3.10 13 0.41 0.89 ++ ++ +*+ ++ + +++ VdW CZ PHE 47 - O GLU 390 2.90 7 0.16 0.58 + +++ ++* VdW CZ PHE 47 - N GLN 391 3.05 12 0.30 0.86 ++ ++ +++ ++ * ++ VdW CZ PHE 47 - CB GLN 391 3.20 6 0.11 0.35 + + + + * + VdW HZ PHE 47 - CA GLU 390 2.60 12 0.23 0.59 ++ ++ ++* ++ + ++ VdW HZ PHE 47 - CB GLU 390 2.60 12 0.45 0.94 *+ ++ +++ ++ + ++ VdW HZ PHE 47 - HB3 GLU 390 2.00 10 0.26 1.02 * ++ +++ ++ + + VdW HZ PHE 47 - CG GLU 390 2.60 12 0.30 0.71 ++ ++ +++ *+ +++ VdW HZ PHE 47 - CD GLU 390 2.50 8 0.17 0.76 + + ++ + ++* VdW HZ PHE 47 - C GLU 390 2.50 12 0.36 0.77 ++ ++ ++* ++ +++ VdW CE2 PHE 47 - CA LEU 65 3.20 6 0.10 0.39 + + + ++* VdW CE2 PHE 47 - CB LEU 65 3.20 7 0.14 0.64 + + ++++ * VdW CE2 PHE 47 - HB3 LEU 65 2.60 6 0.16 1.07 + ++ ++ * VdW CE2 PHE 47 - CB GLN 391 3.20 8 0.14 0.40 + +++ ++ + * VdW CD2 PHE 47 - C PHE 47 3.10 9 0.20 0.82 +++ + + + ++ * VdW CD2 PHE 47 - N ARG 48 3.05 7 0.13 0.40 + + * + ++ + VdW CD2 PHE 47 - CB GLN 391 3.20 7 0.18 0.64 + +++ + + * VdW CD2 PHE 47 - HB2 GLN 391 2.60 8 0.21 0.77 ++ + ++ * ++ VdW HD2 PHE 47 - N ARG 48 2.45 8 0.25 0.84 +++ + + ++ * VdW C PHE 47 - N CYS 49 2.95 6 0.14 0.37 *+ + + + + VdW C PHE 47 - H CYS 49 2.45 12 0.26 0.62 + + *++ ++++ + ++ VdW O PHE 47 - CG GLN 391 2.90 6 0.11 0.46 +* + + + + VdW O PHE 47 - HG3 GLN 391 2.30 6 0.09 0.39 + + + + * + VdW SG CYS 49 - O CYS 49 3.10 8 0.15 0.34 + ++ *+ + ++ VdW HB3 PHE 50 - N ALA 395 2.45 7 0.19 0.67 + + + + ++* VdW HB3 PHE 50 - CA ALA 395 2.60 8 0.16 0.71 + + + + + ++* VdW CG PHE 50 - N HIS 51 3.05 8 0.16 0.54 + * ++ ++++ VdW CG PHE 50 - H HIS 51 2.55 11 0.23 0.84 + +++++ *++++ VdW CD1 PHE 50 - N HIS 51 3.05 7 0.23 0.92 + + ++ + * + VdW CD1 PHE 50 - HA ALA 61 2.60 6 0.18 1.13 + + + * ++ VdW CD1 PHE 50 - CB ALA 61 3.20 8 0.18 0.62 ++ + + +++ * VdW CD1 PHE 50 - HB1 ALA 61 2.60 6 0.13 0.75 ++ + ++ * VdW CE1 PHE 50 - HA ALA 61 2.60 6 0.16 0.75 * + + + + + VdW CZ PHE 50 - CG GLU 60 3.20 8 0.17 0.71 ++ + * + + ++ VdW CZ PHE 50 - CD GLN 64 3.10 8 0.15 0.57 + + ++ + *++ VdW CZ PHE 50 - NE2 GLN 64 3.05 7 0.19 0.88 ++ + + * ++ VdW HZ PHE 50 - NE2 GLN 64 2.45 7 0.17 0.66 + + ++ + +* VdW CE2 PHE 50 - CA ALA 61 3.20 6 0.13 0.75 + + + + + * VdW CE2 PHE 50 - HA ALA 61 2.60 6 0.21 1.17 + + + + + * VdW CD2 PHE 50 - CA ALA 61 3.20 7 0.16 0.66 + * ++ + + + VdW CD2 PHE 50 - HA ALA 61 2.60 7 0.22 0.99 + * ++ + + + VdW CD2 PHE 50 - CB ALA 61 3.20 9 0.18 0.49 + + +*+ + ++ + VdW N HIS 51 - HA ALA 395 2.45 7 0.16 0.64 + ++ * +++ VdW ND1 HIS 51 - H TYR 52 2.45 8 0.15 0.69 ++ + + +++ * VdW C HIS 51 - O ALA 395 2.80 6 0.18 0.86 + + + + *+ VdW O HIS 51 - CG2 THR 56 2.90 7 0.16 0.60 + ++* + ++ VdW N TYR 52 - O ALA 395 2.75 7 0.20 0.90 + + + + *++ VdW HA TYR 52 - CG2 THR 56 2.60 6 0.10 0.40 + ++ + *+ VdW CB TYR 52 - C GLY 57 3.10 8 0.23 0.88 +* + + ++ ++ VdW CB TYR 52 - O GLY 57 2.90 11 0.34 1.52 + +*+++ ++ +++ VdW CB TYR 52 - C ALA 395 3.10 6 0.10 0.38 + +* +++ VdW CB TYR 52 - O ALA 395 2.90 7 0.23 1.05 *+ ++ +++ VdW CB TYR 52 - CA LEU 396 3.20 9 0.15 0.42 + * +++ + + ++ VdW CB TYR 52 - HA LEU 396 2.60 10 0.28 0.86 + ++ *++ + + ++ VdW CB TYR 52 - HD3 PRO 397 2.60 8 0.19 0.51 + + *+ + +++ VdW HB2 TYR 52 - O GLY 57 2.30 9 0.31 1.22 + +++ + +* ++ VdW HB3 TYR 52 - O ALA 395 2.30 7 0.19 0.96 * + + + +++ VdW HB3 TYR 52 - CA LEU 396 2.60 9 0.26 0.73 + + +*+ + + ++ VdW HB3 TYR 52 - HA LEU 396 2.00 9 0.31 1.05 + + +*+ + + ++ VdW HB3 TYR 52 - CD PRO 397 2.60 6 0.10 0.47 + + * + ++ VdW HB3 TYR 52 - HD3 PRO 397 2.00 6 0.10 0.55 + + * + ++ VdW CG TYR 52 - CA GLY 57 3.20 12 0.31 0.75 ++ ++ ++* ++ + ++ VdW CG TYR 52 - HA2 GLY 57 2.60 10 0.30 0.94 + + ++* ++ + ++ VdW CG TYR 52 - C GLY 57 3.10 12 0.32 0.97 + +*+++ ++ + +++ VdW CG TYR 52 - CD PRO 397 3.20 7 0.15 0.45 + + + * +++ VdW CG TYR 52 - HD3 PRO 397 2.60 9 0.23 0.71 + +++ + + +*+ VdW CD1 TYR 52 - C TYR 52 3.10 6 0.20 0.82 + * + + ++ VdW CD1 TYR 52 - O TYR 52 2.90 6 0.18 0.79 + * + + ++ VdW CD1 TYR 52 - CA GLY 57 3.20 7 0.14 0.56 + ++ +* + + VdW CD1 TYR 52 - C GLY 57 3.10 6 0.14 0.91 * + + + + + VdW CD1 TYR 52 - N PRO 58 3.05 8 0.21 0.75 * + ++ + +++ VdW CD1 TYR 52 - CD PRO 58 3.20 8 0.16 0.52 ++ + + + * ++ VdW CD1 TYR 52 - HD3 PRO 58 2.60 7 0.17 0.73 * + + + + ++ VdW HD1 TYR 52 - C TYR 52 2.50 6 0.22 1.08 + * + + ++ VdW CE1 TYR 52 - CD PRO 58 3.20 9 0.22 0.63 + + ++ + * +++ VdW CE1 TYR 52 - HD3 PRO 58 2.60 10 0.39 1.04 ++ + ++ + * +++ VdW HE1 TYR 52 - CA LEU 96 2.60 6 0.15 0.60 + + + + * + VdW HE1 TYR 52 - C LEU 96 2.50 6 0.17 0.62 + + + + *+ VdW CD2 TYR 52 - C TYR 52 3.10 13 0.43 0.81 ++++ ++ + + + +*++ VdW CD2 TYR 52 - O TYR 52 2.90 11 0.34 0.98 ++ + *+ + + ++++ VdW CD2 TYR 52 - CA GLY 57 3.20 11 0.20 0.46 + +++ + +* + +++ VdW CD2 TYR 52 - HA2 GLY 57 2.60 9 0.29 0.84 + + + + ++ *++ VdW CD2 TYR 52 - HD3 PRO 397 2.60 7 0.21 0.84 + + * + +++ VdW HD2 TYR 52 - C TYR 52 2.50 13 0.50 1.10 ++++ ++ + + + +*++ VdW HD2 TYR 52 - O TYR 52 2.30 11 0.47 1.34 * + ++ + + + ++++ VdW HD2 TYR 52 - N GLU 53 2.45 7 0.13 0.50 * + + + +++ VdW OH TYR 52 - CA PRO 97 2.90 8 0.15 0.56 + + * + + +++ VdW OH TYR 52 - CB PRO 97 2.90 8 0.17 0.50 + + + + + +*+ VdW OH TYR 52 - HB3 PRO 97 2.30 10 0.22 0.71 + + +++ + + +*+ VdW OH TYR 52 - HB3 PRO 397 2.30 6 0.13 0.70 * + + + + + VdW O TYR 52 - HD3 PRO 397 2.30 8 0.17 0.54 ++ + * ++ ++ VdW N GLU 53 - N GLY 57 2.90 8 0.17 0.45 * + +++ + ++ VdW H GLU 53 - H GLY 57 1.90 7 0.20 0.66 + +* + +++ VdW C GLU 53 - N ALA 55 2.95 10 0.20 0.45 +* ++ + +++ ++ VdW C GLU 53 - H ALA 55 2.45 11 0.22 0.69 +*++++ + + + ++ VdW O GLU 53 - N ALA 55 2.75 10 0.24 0.63 +* ++ + +++ ++ VdW O GLU 53 - N THR 56 2.75 8 0.15 0.82 ++ ++ +*+ + VdW O GLU 53 - N GLY 57 2.75 9 0.22 0.57 + + +++ + + +* VdW CA THR 56 - H TYR 352 2.55 8 0.19 0.68 + + *+ + + + + VdW CG2 THR 56 - C THR 56 2.90 12 0.19 0.32 + ++ +++*+ ++ + + VdW C THR 56 - H TYR 352 2.45 8 0.19 1.20 + + *++ + ++ VdW C THR 56 - HB3 TYR 352 2.50 9 0.22 0.52 + +++ + + *++ VdW O THR 56 - O GLY 57 2.60 7 0.16 0.62 * + +++ ++ VdW O THR 56 - CB GLU 60 2.90 9 0.22 0.94 + ++++* + ++ VdW O THR 56 - HB3 GLU 60 2.30 7 0.13 0.53 + +*++ + + VdW O THR 56 - N TYR 352 2.75 7 0.14 0.80 + *++ + ++ VdW O THR 56 - CB TYR 352 2.90 7 0.15 0.53 + ++ + ++* VdW O THR 56 - HB3 TYR 352 2.30 7 0.15 0.71 ++++ ++* VdW N GLY 57 - HB3 TYR 352 2.45 12 0.31 0.91 ++ ++ ++* ++ + ++ VdW CA GLY 57 - CB TYR 352 3.20 13 0.33 0.73 ++ ++++++ +* +++ VdW CA GLY 57 - HB3 TYR 352 2.60 14 0.45 0.93 ++ ++++++ +* + +++ VdW CA GLY 57 - CD1 TYR 352 3.20 10 0.36 1.18 +* ++ + ++ ++ + VdW CA GLY 57 - HD1 TYR 352 2.60 9 0.40 1.29 +* ++ + + ++ + VdW CA GLY 57 - CD2 TYR 352 3.20 6 0.17 0.88 + + + * + + VdW CA GLY 57 - HD2 TYR 352 2.60 6 0.26 1.01 + + + * + + VdW HA3 GLY 57 - CB TYR 352 2.60 11 0.36 0.99 ++ +*++ ++ +++ VdW HA3 GLY 57 - HB3 TYR 352 2.00 11 0.29 0.89 ++ ++++ +* +++ VdW HA3 GLY 57 - CG TYR 352 2.60 12 0.40 1.24 ++ ++*++ ++ +++ VdW HA3 GLY 57 - CD1 TYR 352 2.60 9 0.41 1.20 +* ++ + + ++ + VdW HA3 GLY 57 - HD1 TYR 352 2.00 8 0.32 1.18 ++ ++ + + * + VdW HA3 GLY 57 - CD2 TYR 352 2.60 6 0.27 1.00 * + + + + + VdW HA3 GLY 57 - HD2 TYR 352 2.00 6 0.28 1.24 * + + + + + VdW C GLY 57 - CB TYR 352 3.10 6 0.17 0.45 + * ++ + + VdW C GLY 57 - HB3 TYR 352 2.50 6 0.11 0.38 * ++ + + + VdW N PRO 58 - CD1 TYR 352 3.05 6 0.12 0.66 + ++ + + * VdW N PRO 58 - HD1 TYR 352 2.45 6 0.14 0.63 + +* + + + VdW CD PRO 58 - CG TYR 352 3.20 13 0.36 0.79 ++ ++ +++ ++ + ++* VdW CD PRO 58 - CD1 TYR 352 3.20 9 0.48 1.43 ++ *+ + + + + + VdW CD PRO 58 - HD1 TYR 352 2.60 8 0.32 1.10 ++ ++ + + + * VdW CD PRO 58 - CE1 TYR 352 3.20 9 0.25 0.83 ++ +* + + + + + VdW CD PRO 58 - CE2 TYR 352 3.20 6 0.14 0.72 + + + ++ * VdW CD PRO 58 - CD2 TYR 352 3.20 7 0.34 1.38 + + + + ++ * VdW CD PRO 58 - CB PRO 358 3.20 6 0.18 0.90 + + * + + + VdW CD PRO 58 - HB3 PRO 358 2.60 6 0.21 1.13 + + * + + + VdW CA PRO 58 - CB ALA 95 3.20 7 0.14 0.50 ++ + + + +* VdW CA PRO 58 - O ALA 95 2.90 8 0.24 1.14 + + ++ + * + + VdW HA PRO 58 - CB ALA 95 2.60 12 0.31 0.83 *+ ++ ++ ++ + +++ VdW HA PRO 58 - HB2 ALA 95 2.00 7 0.13 0.51 +* + + +++ VdW HA PRO 58 - HB3 ALA 95 2.00 6 0.16 0.81 + + +*+ + VdW CB PRO 58 - C ALA 95 3.10 10 0.37 1.10 ++ + ++ + + +*+ VdW CB PRO 58 - O ALA 95 2.90 11 0.64 1.56 ++ + +*+ + + +++ VdW CB PRO 58 - CA LEU 96 3.20 6 0.11 0.35 + +* + + + VdW CB PRO 58 - CD2 LEU 96 3.20 8 0.18 0.85 + +* ++ ++ + VdW CB PRO 58 - HD21 LEU 96 2.60 6 0.15 0.57 + ++ +* + VdW CB PRO 58 - CE2 PHE 392 3.20 8 0.16 0.71 + + * ++ + + + VdW CB PRO 58 - HE2 PHE 392 2.60 7 0.16 0.74 + * ++ + + + VdW CB PRO 58 - CB LEU 396 3.20 6 0.15 0.75 + + * + + + VdW HB2 PRO 58 - O ALA 95 2.30 8 0.30 1.19 + + ++ + +*+ VdW HB2 PRO 58 - CE1 PHE 392 2.60 7 0.17 0.63 * + ++ + ++ VdW HB2 PRO 58 - CZ PHE 392 2.60 6 0.12 0.59 + + + + + * VdW HB2 PRO 58 - CE2 PHE 392 2.60 7 0.22 0.85 + + + +* + + VdW HB2 PRO 58 - HE2 PHE 392 2.00 8 0.26 0.97 + + + ++ + * + VdW HB3 PRO 58 - C ALA 95 2.50 13 0.56 1.24 ++ ++ +++ ++ + +*+ VdW HB3 PRO 58 - O ALA 95 2.30 11 0.54 1.36 *+ + +++ + + +++ VdW HB3 PRO 58 - N LEU 96 2.45 12 0.36 0.94 +* ++ ++ ++ + +++ VdW HB3 PRO 58 - CA LEU 96 2.60 10 0.22 0.72 + +* + ++ + +++ VdW CG PRO 58 - HA LEU 96 2.60 12 0.27 0.69 + *+ +++ ++ + +++ VdW CG PRO 58 - CD2 LEU 96 3.20 7 0.19 0.71 + ++ + +* + VdW CG PRO 58 - HD21 LEU 96 2.60 6 0.15 0.90 + * + ++ + VdW CG PRO 58 - CA PRO 358 3.20 12 0.30 0.68 ++ +* + + ++ + ++ + VdW CG PRO 58 - CB PRO 358 3.20 14 0.48 1.09 +++ ++++++ ++ ++* VdW CG PRO 58 - HB2 PRO 358 2.60 6 0.14 0.60 *+ + + ++ VdW CG PRO 58 - HB3 PRO 358 2.60 9 0.38 1.36 + + + + ++ ++* VdW CG PRO 58 - C PRO 358 3.10 8 0.28 0.96 ++ ++ + +* + VdW CG PRO 58 - O PRO 358 2.90 8 0.23 0.68 + ++ + + +* + VdW HG2 PRO 58 - H GLN 59 1.95 14 0.20 0.29 ++++ +++ *+++ +++ VdW HG2 PRO 58 - CA PRO 358 2.60 14 0.38 0.71 ++ +* +++ ++ + ++++ VdW HG2 PRO 58 - HA PRO 358 2.00 6 0.12 0.51 + + * + ++ VdW HG2 PRO 58 - CB PRO 358 2.60 9 0.35 1.41 + + + + + + ++* VdW HG2 PRO 58 - C PRO 358 2.50 10 0.46 1.35 ++ ++ + + +* ++ VdW HG2 PRO 58 - O PRO 358 2.30 9 0.40 1.09 + ++ + + *+ ++ VdW HG3 PRO 58 - HA LEU 96 2.00 12 0.30 0.82 ++ * +++ ++ + +++ VdW HG3 PRO 58 - CD2 LEU 96 2.60 7 0.14 0.71 + ++ + +* + VdW HG3 PRO 58 - CD PRO 97 2.60 6 0.13 0.61 + * + + ++ VdW HG3 PRO 58 - CB PRO 358 2.60 11 0.24 0.87 *+ ++ +++ + +++ VdW HG3 PRO 58 - HB2 PRO 358 2.00 8 0.20 0.91 ++ + + * ++ + VdW HD2 PRO 58 - CB TYR 352 2.60 7 0.13 0.34 + + + + *+ + VdW HD2 PRO 58 - CG TYR 352 2.60 13 0.63 1.14 ++ ++ +++ ++ + ++* VdW HD2 PRO 58 - CD1 TYR 352 2.60 8 0.58 1.72 ++ ++ + + + * VdW HD2 PRO 58 - HD1 TYR 352 2.00 8 0.23 0.91 ++ +* + + + + VdW HD2 PRO 58 - CE1 TYR 352 2.60 7 0.25 1.03 + ++ + + * + VdW HD2 PRO 58 - CD2 TYR 352 2.60 7 0.43 1.78 ++ + + + + * VdW HD3 PRO 58 - CD1 TYR 352 2.60 7 0.14 0.61 ++ * + + + + VdW C PRO 58 - N GLU 60 2.95 10 0.23 0.53 +* + ++ +++ ++ VdW C PRO 58 - H GLU 60 2.45 9 0.26 0.86 * + ++ +++ ++ VdW O PRO 58 - C GLN 59 2.80 16 0.30 0.46 ++ +++++ ++++ +++*+ VdW O PRO 58 - N GLU 60 2.75 14 0.40 0.89 +++ + +++ +++* +++ VdW O PRO 58 - N ALA 61 2.75 10 0.17 0.49 ++ + + *+++ ++ VdW O PRO 58 - H ALA 61 1.80 6 0.12 0.37 * + ++ ++ VdW N GLN 59 - CB PRO 358 3.05 6 0.17 0.90 + + + + * + VdW N GLN 59 - HB2 PRO 358 2.45 6 0.18 0.79 + + + + + * VdW N GLN 59 - O PRO 358 2.75 10 0.38 0.93 + ++ + * ++ +++ VdW H GLN 59 - CG GLN 59 2.55 11 0.17 0.32 +*++ +++ +++ + VdW H GLN 59 - HE21 GLN 59 1.90 6 0.22 0.98 + * + + ++ VdW H GLN 59 - C PRO 358 2.45 7 0.12 0.34 +* + ++ + + VdW H GLN 59 - O PRO 358 1.80 10 0.27 0.81 + *+ + + ++ +++ VdW CB GLN 59 - CE1 PHE 350 3.20 6 0.11 0.68 ++ + + *+ VdW CB GLN 59 - HE1 PHE 350 2.60 6 0.17 0.86 ++ + + *+ VdW CB GLN 59 - HB3 GLU 360 2.60 10 0.26 1.08 + ++ ++* + + ++ VdW CB GLN 59 - H ALA 361 2.55 9 0.20 1.02 +* ++ + ++ ++ VdW HB3 GLN 59 - CB GLU 360 2.60 6 0.15 0.62 ++ + * + + VdW HB3 GLN 59 - HB3 GLU 360 2.00 7 0.18 0.96 + ++ + * + + VdW HB3 GLN 59 - N ALA 361 2.45 10 0.20 0.71 ++ ++ ++ +* ++ VdW HB3 GLN 59 - H ALA 361 1.95 9 0.24 0.95 ++ + ++ +* ++ VdW CG GLN 59 - O GLY 357 2.90 8 0.28 1.21 ++ + + * +++ VdW CG GLN 59 - CB PRO 358 3.20 6 0.26 1.19 + + + + + * VdW CG GLN 59 - HB2 PRO 358 2.60 6 0.32 1.33 + + + + + * VdW CG GLN 59 - C PRO 358 3.10 14 0.34 0.76 +++ ++++ ++++ +*+ VdW CG GLN 59 - O PRO 358 2.90 12 0.47 1.04 *+ ++ +++ ++ + ++ VdW CG GLN 59 - N GLN 359 3.05 8 0.24 0.91 * + + + + +++ VdW CG GLN 59 - H GLN 359 2.55 6 0.17 0.61 + + + + + * VdW CG GLN 59 - CB GLU 360 3.20 6 0.17 0.74 ++ + * + + VdW CG GLN 59 - HB3 GLU 360 2.60 8 0.19 0.81 + ++ + * + + + VdW CG GLN 59 - CB ALA 416 3.20 6 0.13 0.55 + + + + * + VdW HG2 GLN 59 - CA PRO 358 2.60 6 0.18 0.91 + + * + + + VdW HG2 GLN 59 - CB PRO 358 2.60 6 0.37 1.61 + + + + + * VdW HG2 GLN 59 - HB2 PRO 358 2.00 6 0.36 1.47 + * + + + + VdW HG2 GLN 59 - C PRO 358 2.50 14 0.44 1.04 ++++++++++++ +* VdW HG2 GLN 59 - O PRO 358 2.30 11 0.39 1.30 *+ ++ +++ ++ ++ VdW HG2 GLN 59 - N GLN 359 2.45 7 0.18 0.74 *+ ++ + + + VdW HG2 GLN 59 - N GLU 360 2.45 9 0.22 0.82 ++ + + ++ * + + VdW HG2 GLN 59 - H GLU 360 1.95 6 0.13 0.46 + + * ++ + VdW HG3 GLN 59 - O PRO 358 2.30 7 0.21 0.71 + ++ + +* + VdW HG3 GLN 59 - N GLN 359 2.45 6 0.18 0.76 + + + ++ * VdW CD GLN 59 - HA TYR 352 2.50 6 0.15 0.67 +* + ++ + VdW CD GLN 59 - C GLY 357 3.00 6 0.12 0.53 + + * + ++ VdW CD GLN 59 - O GLY 357 2.80 12 0.59 1.55 + ++ ++* ++ + +++ VdW CD GLN 59 - CB GLU 360 3.10 12 0.41 0.97 + *+ +++ ++ + +++ VdW CD GLN 59 - HB2 GLU 360 2.50 9 0.37 0.99 + + +++ * + ++ VdW CD GLN 59 - HB3 GLU 360 2.50 10 0.26 0.76 + ++ +++ * +++ VdW OE1 GLN 59 - CA TYR 352 2.90 7 0.11 0.36 + + +* ++ + VdW OE1 GLN 59 - HA TYR 352 2.30 9 0.25 0.74 ++ ++ +* ++ + VdW OE1 GLN 59 - N GLU 353 2.75 6 0.15 0.63 +* +++ + VdW NE2 GLN 59 - CA GLY 357 3.05 9 0.20 0.57 ++ + * ++ + + + VdW NE2 GLN 59 - C GLY 357 2.95 12 0.45 1.02 + *+ +++ ++ + +++ VdW NE2 GLN 59 - O GLY 357 2.75 13 0.78 1.58 ++ ++ *++ ++ + +++ VdW NE2 GLN 59 - CB GLU 360 3.05 12 0.42 0.92 *+ ++ +++ ++ +++ VdW NE2 GLN 59 - HB2 GLU 360 2.45 12 0.53 1.24 ++ ++ ++* ++ +++ VdW HE21 GLN 59 - C GLY 357 2.45 12 0.32 0.80 ++ ++ +++ ++ *++ VdW HE21 GLN 59 - O GLY 357 1.80 6 0.15 0.65 *+ ++ + + VdW HE21 GLN 59 - HB2 GLU 360 1.95 6 0.11 0.48 ++ + * + + VdW C GLN 59 - H ALA 61 2.45 6 0.10 0.46 + * + + + + VdW C GLN 59 - CB ALA 361 3.10 6 0.10 0.52 + + + * ++ VdW C GLN 59 - HB1 ALA 361 2.50 6 0.09 0.43 ++ + +* + VdW O GLN 59 - C GLU 60 2.80 10 0.18 0.40 ++ ++ ++ + *++ VdW O GLN 59 - N ALA 61 2.75 6 0.16 0.59 ++ *+ ++ VdW O GLN 59 - CD2 PHE 350 2.90 6 0.20 1.27 ++ + * + + VdW O GLN 59 - HD2 PHE 350 2.30 6 0.19 0.84 *+ + + + + VdW O GLN 59 - CB ALA 361 2.90 13 0.42 1.27 +++++ ++ ++* +++ VdW O GLN 59 - HB1 ALA 361 2.30 8 0.26 1.05 ++ + +++ +* VdW O GLN 59 - HB3 ALA 361 2.30 6 0.15 0.78 * ++ ++ + VdW HA GLU 60 - N HIS 351 2.45 11 0.16 0.35 + ++ +++ + + ++* VdW CB GLU 60 - CA HIS 351 3.20 6 0.11 0.38 +* + + + + VdW CB GLU 60 - HA HIS 351 2.60 13 0.30 0.71 ++ +* +++ ++ + +++ VdW HB2 GLU 60 - HA HIS 351 2.00 11 0.30 0.84 ++ + *++ + + +++ VdW HG3 GLU 60 - C GLU 60 2.50 7 0.12 0.50 ++ ++ +* + VdW O GLU 60 - HG3 GLN 64 2.30 9 0.25 0.70 + *+ ++ + +++ VdW O GLU 60 - HB3 PHE 350 2.30 9 0.21 0.65 ++ + +++ + + * VdW CB ALA 61 - HA PHE 392 2.60 11 0.31 0.79 ++ +++ ++ + +*+ VdW CB ALA 61 - CB ALA 395 3.20 17 0.55 0.91 +++++ ++++*+++ +++ + VdW CB ALA 61 - HB1 ALA 395 2.60 7 0.22 1.01 + ++ *+ ++ VdW CB ALA 61 - HB2 ALA 395 2.60 9 0.23 0.66 + +++ ++ + + * VdW CB ALA 61 - HB3 ALA 395 2.60 12 0.26 0.69 +++++ + *++ ++ + VdW HB1 ALA 61 - CB ALA 395 2.60 10 0.36 0.89 + + ++ *+ + +++ VdW HB1 ALA 61 - HB1 ALA 395 2.00 9 0.21 0.72 + +*+++ + ++ VdW HB2 ALA 61 - HA PHE 392 2.00 8 0.17 0.61 ++* + + +++ VdW HB2 ALA 61 - CB ALA 395 2.60 8 0.20 0.69 * +++ ++ + + VdW HB2 ALA 61 - HB2 ALA 395 2.00 6 0.15 0.67 + + +* + + VdW HB3 ALA 61 - HA PHE 392 2.00 6 0.11 0.51 + ++ ++* VdW HB3 ALA 61 - CB ALA 395 2.60 8 0.21 0.73 ++ * + ++ + + VdW C ALA 61 - N ALA 63 2.95 8 0.18 0.49 + + + + ++ +* VdW C ALA 61 - H ALA 63 2.45 9 0.23 0.74 ++ + + + ++ +* VdW C ALA 61 - CD1 LEU 65 3.10 7 0.18 0.66 * + + ++ + + VdW C ALA 61 - CD2 LEU 65 3.10 10 0.28 0.80 ++* ++++ + + + VdW C ALA 61 - HD21 LEU 65 2.50 7 0.14 0.71 +++ +* + + VdW O ALA 61 - C LEU 62 2.80 7 0.14 0.35 + + ++ + * + VdW O ALA 61 - N ALA 63 2.75 11 0.24 0.74 + + +++ + ++ ++* VdW O ALA 61 - N GLN 64 2.75 12 0.34 0.82 ++ ++ +++ + + *++ VdW O ALA 61 - H GLN 64 1.80 11 0.26 0.83 ++ ++ +++ + *++ VdW O ALA 61 - CG LEU 65 2.90 8 0.18 0.65 + *++++ + + VdW O ALA 61 - CD1 LEU 65 2.90 9 0.34 0.99 * ++ + ++ + ++ VdW O ALA 61 - CD2 LEU 65 2.90 14 0.42 1.03 +++ *+++++ ++ + ++ VdW O ALA 61 - HD21 LEU 65 2.30 7 0.18 0.69 +*+ + + + + VdW CA LEU 62 - CD2 LEU 65 3.20 6 0.11 0.62 *+ ++ + + VdW CA LEU 62 - CB ALA 361 3.20 8 0.20 0.86 + ++ +* +++ VdW CA LEU 62 - CD1 LEU 365 3.20 9 0.21 0.63 + + * + ++++ + VdW CA LEU 62 - HD13 LEU 365 2.60 6 0.18 0.86 + + + + + * VdW CA LEU 62 - HB2 PHE 392 2.60 9 0.16 0.61 ++ + ++ ++ + * VdW HA LEU 62 - CD1 LEU 65 2.60 9 0.26 0.84 + + +*+ + ++ + VdW HA LEU 62 - CD2 LEU 65 2.60 6 0.19 0.91 *+ + ++ + VdW CB LEU 62 - CB ALA 361 3.20 13 0.38 0.93 ++ ++ +*+ +++ +++ VdW CB LEU 62 - HB2 ALA 361 2.60 8 0.27 1.11 +* + + + + ++ VdW CB LEU 62 - HB3 ALA 361 2.60 6 0.17 0.90 ++ + + +* VdW CB LEU 62 - N LEU 362 3.05 9 0.25 1.01 + ++* + + +++ VdW CB LEU 62 - H LEU 362 2.55 7 0.16 0.66 + *+ + +++ VdW CB LEU 62 - CD1 LEU 365 3.20 7 0.13 0.71 + + + + *+ + VdW CB LEU 62 - CB PHE 392 3.20 7 0.24 1.06 + ++ * + ++ VdW CB LEU 62 - HB2 PHE 392 2.60 6 0.26 1.26 + ++ + +* VdW HB2 LEU 62 - CB ALA 361 2.60 8 0.26 1.01 * ++ + + +++ VdW HB2 LEU 62 - HB2 ALA 361 2.00 6 0.14 0.73 * + + + ++ VdW HB2 LEU 62 - CB PHE 392 2.60 7 0.25 1.22 + + + * + ++ VdW HB3 LEU 62 - CB ALA 361 2.60 6 0.19 0.86 ++ + + *+ VdW HB3 LEU 62 - N LEU 362 2.45 8 0.32 1.16 + ++ + + ++* VdW CG LEU 62 - N LEU 362 3.05 6 0.15 0.78 + * + + + + VdW CG LEU 62 - CD2 LEU 362 3.20 7 0.19 0.66 +* + + +++ VdW CG LEU 62 - HD22 LEU 362 2.60 6 0.13 0.46 + + + + *+ VdW CG LEU 62 - CB PHE 392 3.20 9 0.27 0.93 + + + + ++ * ++ VdW CG LEU 62 - HB2 PHE 392 2.60 9 0.34 1.18 + + + + + * + ++ VdW HG LEU 62 - CD2 LEU 362 2.60 6 0.15 0.76 + + + +*+ VdW CD1 LEU 62 - CD2 LEU 362 3.20 7 0.24 0.97 +++ + + *+ VdW CD1 LEU 62 - CB PHE 392 3.20 11 0.31 1.16 ++ ++ ++ * ++ ++ VdW CD1 LEU 62 - HB2 PHE 392 2.60 9 0.34 1.05 ++ ++ + ++ *+ VdW CD2 LEU 62 - CE2 PHE 92 3.20 6 0.16 0.92 + + + + * + VdW CD2 LEU 62 - CD2 PHE 92 3.20 6 0.17 1.06 + + + + * + VdW CD2 LEU 62 - CD2 LEU 362 3.20 9 0.23 0.77 + + +* + ++ ++ VdW CD2 LEU 62 - HD23 LEU 362 2.60 6 0.14 0.78 + ++ + +* VdW CD2 LEU 62 - CG PHE 392 3.20 6 0.19 1.05 + ++ + *+ VdW C LEU 62 - CB ALA 361 3.10 8 0.26 1.13 + ++ +* +++ VdW C LEU 62 - HB3 ALA 361 2.50 7 0.19 0.94 +++ ++ +* VdW C LEU 62 - CG LEU 365 3.10 15 0.59 1.22 +++++ +++ ++*+ +++ VdW C LEU 62 - HG LEU 365 2.50 9 0.34 1.47 +++ + ++*+ + VdW C LEU 62 - CD1 LEU 365 3.10 15 0.55 1.08 +++++ +*+ ++++ +++ VdW C LEU 62 - HD13 LEU 365 2.50 9 0.28 0.91 + + *+ + + +++ VdW C LEU 62 - CD2 LEU 365 3.10 15 0.51 0.97 +++++ +++ ++++ *++ VdW C LEU 62 - HD21 LEU 365 2.50 6 0.14 0.62 ++ + * + + VdW C LEU 62 - HD23 LEU 365 2.50 7 0.16 0.61 ++* ++ + + VdW O LEU 62 - CB LEU 365 2.90 9 0.41 1.60 ++ * + ++ +++ VdW O LEU 62 - CG LEU 365 2.90 15 0.98 1.86 +++++ *++ ++++ +++ VdW O LEU 62 - HG LEU 365 2.30 9 0.33 1.70 +++ ++ + *+ + VdW O LEU 62 - CD1 LEU 365 2.90 15 0.73 1.66 +++++ +++ *+++ +++ VdW O LEU 62 - HD11 LEU 365 2.30 6 0.20 1.19 + + +* + + VdW O LEU 62 - HD13 LEU 365 2.30 9 0.26 0.98 + * ++ + ++ + + VdW O LEU 62 - CD2 LEU 365 2.90 15 0.85 1.77 +++++ +++ +++ *++ + VdW O LEU 62 - HD21 LEU 365 2.30 9 0.32 1.12 +++++ + * + + VdW O LEU 62 - HD23 LEU 365 2.30 7 0.26 1.21 + ++ +* ++ VdW N ALA 63 - CB ALA 361 3.05 15 0.44 0.92 +++++ +++ +++* +++ VdW N ALA 63 - HB1 ALA 361 2.45 6 0.16 0.86 ++ + ++* VdW N ALA 63 - HB2 ALA 361 2.45 7 0.16 0.61 ++ ++ +* + VdW N ALA 63 - HB3 ALA 361 2.45 9 0.26 0.88 + ++ + + +* ++ VdW N ALA 63 - CG LEU 365 3.05 9 0.19 0.53 + + *+ + ++ + + VdW N ALA 63 - HG LEU 365 2.45 8 0.21 0.89 +++ * +++ + VdW N ALA 63 - CD1 LEU 365 3.05 10 0.26 0.80 + ++ ++ + +*++ VdW H ALA 63 - CB ALA 361 2.55 7 0.26 0.97 + * +++ + + VdW H ALA 63 - HB3 ALA 361 1.95 7 0.11 0.42 + + + * + + + VdW CA ALA 63 - CB LEU 365 3.20 6 0.22 1.61 + + + + +* VdW CA ALA 63 - CG LEU 365 3.20 11 0.25 1.14 +++ ++ + + ++ + * VdW CA ALA 63 - HG LEU 365 2.60 10 0.22 0.61 *++ + + ++++ + VdW CA ALA 63 - CD1 LEU 365 3.20 6 0.24 0.93 + + * ++ + VdW CA ALA 63 - CD2 LEU 365 3.20 10 0.29 0.83 ++* ++ + + + + + VdW HA ALA 63 - CA LEU 365 2.60 7 0.18 0.82 *+ + + ++ + VdW HA ALA 63 - CG LEU 365 2.60 8 0.24 0.67 ++* + + + + + VdW HA ALA 63 - HG LEU 365 2.00 6 0.20 0.76 *++ + + + VdW HA ALA 63 - CD2 LEU 365 2.60 8 0.21 0.82 ++* + + + + + VdW CB ALA 63 - CB PHE 350 3.20 6 0.16 0.78 + + ++ + * VdW CB ALA 63 - CG PHE 350 3.20 13 0.45 0.97 ++ ++ +++ ++ + ++* VdW CB ALA 63 - CD1 PHE 350 3.20 10 0.27 0.83 * +++ ++ + +++ VdW CB ALA 63 - CD2 PHE 350 3.20 11 0.25 0.69 +++ + ++* +++ + VdW HB1 ALA 63 - CB PHE 350 2.60 6 0.13 0.63 + +* + ++ VdW HB1 ALA 63 - CG PHE 350 2.60 7 0.22 0.92 + + + +* + + VdW HB3 ALA 63 - CG PHE 350 2.60 6 0.24 0.93 + * + +++ VdW C ALA 63 - CD1 LEU 365 3.10 6 0.26 1.39 + + + ++ * VdW C ALA 63 - CD2 LEU 365 3.10 10 0.24 0.96 + ++ + ++ + + +* VdW O ALA 63 - CD1 PHE 347 2.90 9 0.25 0.82 + + +++* +++ VdW O ALA 63 - CE1 PHE 347 2.90 7 0.14 0.51 + *++ +++ VdW O ALA 63 - CE2 PHE 347 2.90 11 0.30 0.93 +*++ +++ + + + + VdW O ALA 63 - CD2 PHE 347 2.90 7 0.25 0.88 +*++ ++ + VdW CA GLN 64 - CE1 PHE 347 3.20 6 0.12 0.57 ++ * ++ + VdW CA GLN 64 - CZ PHE 347 3.20 11 0.23 0.65 + *+ ++++ ++ ++ VdW CA GLN 64 - CE2 PHE 347 3.20 10 0.23 0.81 + +++ ++*+++ VdW HA GLN 64 - CE2 PHE 347 2.60 7 0.21 0.88 + ++ +* ++ VdW HA GLN 64 - O PHE 347 2.30 8 0.19 0.58 ++ + + + + + * VdW C GLN 64 - CE1 PHE 347 3.10 9 0.31 0.82 ++ + *++ + + + VdW C GLN 64 - CZ PHE 347 3.10 17 0.67 1.05 ++ ++++++++ +*+++++ VdW C GLN 64 - HZ PHE 347 2.50 10 0.25 0.68 * ++ ++ + ++ ++ VdW C GLN 64 - CE2 PHE 347 3.10 12 0.38 1.05 + + +++ ++++++* VdW O GLN 64 - CE1 PHE 347 2.90 7 0.18 0.90 + + *++ + + VdW O GLN 64 - HE2 PHE 347 2.30 6 0.15 0.81 + + + +* + VdW O GLN 64 - OE1 GLN 391 2.60 9 0.20 0.69 + *+ + + + +++ VdW N LEU 65 - CD1 LEU 65 3.05 7 0.19 0.95 + ++ + + +* VdW N LEU 65 - CE1 PHE 347 3.05 9 0.20 0.64 * +++ +++ ++ VdW N LEU 65 - CZ PHE 347 3.05 20 0.77 1.27 ++++++++++++++++++*+ VdW N LEU 65 - HZ PHE 347 2.45 18 0.66 1.27 ++ ++ ++++*+++++++++ VdW H LEU 65 - CZ PHE 347 2.55 6 0.15 0.61 + + ++* + VdW H LEU 65 - CD1 LEU 365 2.55 6 0.20 0.91 + + + +* + VdW H LEU 65 - CD2 LEU 365 2.55 7 0.19 0.80 + + + ++ + * VdW CA LEU 65 - CZ PHE 347 3.20 12 0.32 0.91 ++ + ++++ +++ *+ VdW CA LEU 65 - HZ PHE 347 2.60 16 0.52 1.26 ++ ++ +++ * ++++++++ VdW CB LEU 65 - H GLN 391 2.55 9 0.24 0.88 + + +++ + +*+ VdW CB LEU 65 - HB3 GLN 391 2.60 9 0.26 0.89 ++ + + ++ * ++ VdW HB3 LEU 65 - CB GLN 391 2.60 7 0.22 0.75 * + + + + + + VdW HB3 LEU 65 - HB3 GLN 391 2.00 9 0.29 1.09 * + +++ + + ++ VdW CG LEU 65 - H GLN 391 2.55 9 0.27 0.83 ++ ++ + + ++* VdW HG LEU 65 - CB GLN 391 2.60 6 0.16 0.75 * + + + ++ VdW CD1 LEU 65 - H GLU 390 2.55 6 0.15 0.69 + + ++ + * VdW CD1 LEU 65 - H GLN 391 2.55 6 0.12 0.54 + + ++ + * VdW CD1 LEU 65 - HG2 GLN 391 2.60 6 0.18 1.03 + + *+ + + VdW CD1 LEU 65 - N PHE 392 3.05 6 0.10 0.43 + +++ *+ VdW CD1 LEU 65 - H PHE 392 2.55 6 0.19 0.85 + +++ + * VdW CD2 LEU 65 - CB GLN 391 3.20 7 0.15 0.51 + + * ++ + + VdW CD2 LEU 65 - CG GLN 391 3.20 10 0.29 0.87 + + *++ + ++ + + VdW CD2 LEU 65 - HG2 GLN 391 2.60 9 0.34 0.98 + * +++ + + + + VdW CD2 LEU 65 - C GLN 391 3.10 6 0.12 0.54 + + *+ + + VdW CD2 LEU 65 - N PHE 392 3.05 12 0.35 0.69 ++ *+ +++ ++ + ++ VdW CD2 LEU 65 - H PHE 392 2.55 6 0.25 1.04 + * + + ++ VdW HD21 LEU 65 - CG GLN 391 2.60 6 0.14 0.71 + + + + * + VdW HD21 LEU 65 - HG2 GLN 391 2.00 6 0.14 0.63 + + + + * + VdW HD22 LEU 65 - HG2 GLN 391 2.00 7 0.16 0.73 + * +++ + + VdW HD22 LEU 65 - N PHE 392 2.45 7 0.17 0.79 ++ * + + ++ VdW C LEU 65 - CZ PHE 347 3.10 16 0.39 0.78 +++ ++++++* +++++ + VdW C LEU 65 - HZ PHE 347 2.50 17 0.54 0.93 +++ +++++++ ++++++ * VdW O LEU 65 - C ARG 66 2.80 9 0.20 0.48 +*+ + + + +++ VdW O LEU 65 - N GLU 67 2.75 7 0.24 0.95 *++ ++ + + VdW O LEU 65 - SG CYS 69 3.10 6 0.12 0.86 + + + ++* VdW N ARG 66 - CZ PHE 347 3.05 9 0.25 0.77 ++ ++ + ++ + * VdW N ARG 66 - HZ PHE 347 2.45 10 0.36 1.00 ++ ++ + ++ * + + VdW H ARG 66 - HZ PHE 347 1.95 6 0.21 1.22 + + + + * + VdW CA ARG 66 - SG CYS 69 3.40 6 0.12 0.65 + * + + ++ VdW CA ARG 66 - O LEU 387 2.90 10 0.27 0.88 +++ ++ + *+++ VdW HA ARG 66 - O LEU 387 2.30 9 0.28 1.06 + ++ + + *+++ VdW CB ARG 66 - HB3 LEU 387 2.60 8 0.21 0.59 ++ + ++ + * + VdW CB ARG 66 - O LEU 387 2.90 7 0.20 1.05 +++ + ++ * VdW HB2 ARG 66 - CB LEU 387 2.60 6 0.15 0.69 +++++ * VdW HB2 ARG 66 - HB3 LEU 387 2.00 7 0.21 0.97 + + +++ * + VdW HB3 ARG 66 - O LEU 387 2.30 6 0.18 0.86 *+ + + ++ VdW CG ARG 66 - CB CYS 369 3.20 9 0.16 0.48 + ++ * + + ++ + VdW CG ARG 66 - SG CYS 369 3.40 10 0.29 0.80 +++ + + + +* ++ VdW HG2 ARG 66 - CB CYS 369 2.60 6 0.11 0.49 + + *+ + + VdW HG2 ARG 66 - SG CYS 369 2.80 6 0.18 1.05 ++ * ++ + VdW CD ARG 66 - CB CYS 369 3.20 6 0.13 0.69 + + + * + + VdW C ARG 66 - SG CYS 69 3.30 6 0.19 0.83 * + + ++ + VdW O ARG 66 - N CYS 69 2.75 6 0.14 0.75 +*+ + + + VdW O ARG 66 - SG CYS 69 3.10 7 0.22 1.00 + + + + *+ + VdW O ARG 66 - HZ2 TRP 372 2.30 9 0.18 0.65 + + + *+++++ VdW H GLU 67 - CE1 PHE 347 2.55 6 0.17 0.80 * + + + ++ VdW H GLU 67 - CZ PHE 347 2.55 6 0.18 0.95 ++ * + + + VdW HA GLU 67 - CZ2 TRP 372 2.60 7 0.20 1.07 + + + +++ * VdW CB GLU 67 - HG3 ARG 344 2.60 6 0.09 0.39 * + ++ + + VdW CB GLU 67 - CD1 PHE 347 3.20 6 0.14 0.52 *+ ++ + + VdW HB3 GLU 67 - CG PHE 347 2.60 10 0.24 1.01 + * + ++++ + + + VdW HB3 GLU 67 - CD1 PHE 347 2.60 8 0.21 0.82 * + + + + + ++ VdW HB3 GLU 67 - CD2 PHE 347 2.60 7 0.17 1.07 * ++ +++ + VdW CG GLU 67 - C GLU 67 2.90 10 0.14 0.24 + + ++ ++ + + +* VdW CG GLU 67 - N LEU 68 3.05 11 0.25 0.57 + +++* + + ++ + + VdW CG GLU 67 - H LEU 68 2.55 8 0.16 0.70 + +*++ + + + VdW CG GLU 67 - CD2 PHE 347 3.20 7 0.14 0.52 + + * ++++ VdW HG3 GLU 67 - C GLU 67 2.50 8 0.14 0.49 + +++ ++* + VdW HG3 GLU 67 - N LEU 68 2.45 10 0.22 0.74 + +*+ ++++ ++ VdW CD GLU 67 - CG ARG 344 3.10 6 0.11 0.39 +* ++ + + VdW C GLU 67 - N CYS 69 2.95 13 0.26 0.55 +++++++ + +++ +* VdW C GLU 67 - H CYS 69 2.45 16 0.44 0.79 +++++++ ++ +++++ +* VdW O GLU 67 - N CYS 69 2.75 13 0.39 1.00 ++++ ++ + ++*+ ++ VdW O GLU 67 - NE1 TRP 372 2.75 6 0.15 0.84 + * + + ++ VdW HA LEU 68 - CD1 LEU 68 2.60 6 0.12 0.47 +++ + *+ VdW CA CYS 69 - CZ2 TRP 72 3.20 10 0.20 0.55 ++ + + +++ +*+ VdW HA CYS 69 - CE2 TRP 72 2.60 8 0.19 0.71 + ++ *+ ++ + VdW HA CYS 69 - CZ2 TRP 72 2.60 6 0.13 0.56 * + + + ++ VdW CB CYS 69 - H ARG 70 2.55 11 0.19 0.33 +* + +++ ++ + + + VdW CB CYS 69 - CZ2 TRP 72 3.20 10 0.24 0.80 + +++ + + +*+ + VdW CB CYS 69 - CH2 TRP 72 3.20 8 0.18 0.52 * + + ++ + + + VdW HB2 CYS 69 - H ARG 70 1.95 6 0.10 0.55 + + + + *+ VdW HB3 CYS 69 - CZ2 TRP 72 2.60 6 0.17 1.00 + + + + *+ VdW SG CYS 69 - CZ2 TRP 72 3.40 8 0.32 1.04 + + ++ +* ++ VdW SG CYS 69 - HZ2 TRP 72 2.80 7 0.28 1.32 + ++ +* ++ VdW C CYS 69 - N GLN 71 2.95 7 0.14 0.37 + *+ + ++ + VdW C CYS 69 - CE3 TRP 72 3.10 11 0.34 0.81 ++ + * ++ + +++ + VdW C CYS 69 - CE2 TRP 72 3.10 7 0.11 0.42 ++ + + *+ + VdW C CYS 69 - CZ3 TRP 72 3.10 13 0.32 0.76 ++ ++ * ++ ++ +++ + VdW O CYS 69 - C ARG 70 2.80 18 0.37 0.47 ++ ++++++++*++++++ + VdW O CYS 69 - N GLN 71 2.75 13 0.37 0.72 ++ ++ + + ++ +++* + VdW O CYS 69 - N TRP 72 2.75 7 0.12 0.42 +* + + + + + VdW O CYS 69 - CD2 TRP 72 2.90 16 0.44 0.89 ++++++++ +++*++ + + VdW O CYS 69 - CE3 TRP 72 2.90 15 0.50 1.09 ++ ++ * +++++++++ + VdW O CYS 69 - CE2 TRP 72 2.90 6 0.19 1.03 *+ + + + + VdW N ARG 70 - CZ3 TRP 72 3.05 15 0.33 0.69 ++ ++ + ++++++*++ + VdW CA ARG 70 - CD ARG 70 3.00 6 0.15 0.31 * ++ + + + VdW CA ARG 70 - CZ3 TRP 72 3.20 14 0.28 0.61 + ++ + +++++*+++ + VdW CA ARG 70 - HZ3 TRP 72 2.60 8 0.16 0.48 + + + + + *++ VdW HA ARG 70 - CZ3 TRP 72 2.60 7 0.22 0.74 + +*+++ + VdW HA ARG 70 - HZ3 TRP 72 2.00 14 0.29 0.63 + ++ + ++++*++++ + VdW CB ARG 70 - CE2 TRP 372 3.20 14 0.28 0.56 ++ + ++++++*++++ VdW HB2 ARG 70 - CE2 TRP 372 2.60 6 0.16 0.62 + ++ + *+ VdW HB2 ARG 70 - CZ2 TRP 372 2.60 6 0.12 0.45 + + + + *+ VdW HB3 ARG 70 - CE2 TRP 372 2.60 8 0.25 0.75 + + + + +++* VdW CG ARG 70 - O TRP 372 2.90 12 0.26 0.61 +++ ++ +++*+ + + VdW CG ARG 70 - CB LEU 373 3.20 7 0.18 0.62 ++ + * +++ VdW CG ARG 70 - HB2 LEU 373 2.60 9 0.32 1.01 + +++++ * + + VdW HG2 ARG 70 - CB LEU 373 2.60 8 0.18 0.64 +++ + +*+ + VdW HG2 ARG 70 - HB2 LEU 373 2.00 11 0.31 0.80 +++ ++++ ++ * + VdW HG3 ARG 70 - C TRP 372 2.50 6 0.11 0.39 +* + ++ + VdW HG3 ARG 70 - O TRP 372 2.30 14 0.41 0.98 +++ +++ ++ +++ ++ * VdW CD ARG 70 - C ARG 70 3.10 13 0.33 0.79 +++ + + + ++ +++*+ VdW CD ARG 70 - O ARG 70 2.90 6 0.14 0.52 + + * + + + VdW HD2 ARG 70 - C ARG 70 2.50 16 0.33 0.68 +++ ++++ ++++ +++*+ VdW HD2 ARG 70 - O ARG 70 2.30 7 0.16 0.47 + ++*+ + + VdW NE ARG 70 - O TRP 372 2.75 7 0.16 0.63 + + ++ ++* VdW C ARG 70 - N TRP 72 2.95 19 0.37 0.63 +++ ++++++++*+++++++ VdW C ARG 70 - H TRP 72 2.45 20 0.62 0.88 ++++++++++++*+++++++ VdW C ARG 70 - CE3 TRP 72 3.10 6 0.10 0.40 + +* ++ + VdW O ARG 70 - N TRP 72 2.75 19 0.66 1.19 +++ ++++++++++++++*+ VdW O ARG 70 - H TRP 72 1.80 18 0.45 1.01 + + +++++++++++++*++ VdW O ARG 70 - HE3 TRP 72 2.30 6 0.19 0.83 * ++ ++ + VdW O ARG 70 - N LEU 73 2.75 7 0.15 0.44 ++ + +++* VdW O ARG 70 - H LEU 73 1.80 6 0.10 0.32 ++ + *+ + VdW N TRP 72 - CE3 TRP 72 3.05 7 0.15 0.36 *+ + ++ ++ VdW N TRP 72 - HE3 TRP 72 2.45 15 0.30 0.49 ++ ++ + +++++*+++ + VdW H TRP 72 - CE3 TRP 72 2.55 9 0.16 0.44 + ++ + +++*+ VdW H TRP 72 - HE3 TRP 72 1.95 14 0.37 0.68 +* ++ + ++++++++ + VdW H TRP 72 - H LEU 73 1.90 10 0.19 0.44 + +++++ + +* + VdW CA TRP 72 - CE3 TRP 72 3.20 9 0.14 0.24 ++ + +*++ + + VdW CA TRP 72 - HE3 TRP 72 2.60 10 0.16 0.29 ++ +++*++ + + VdW CD2 TRP 72 - C TRP 72 3.10 11 0.20 0.36 ++ + + *+ + +++ + VdW CE3 TRP 72 - C TRP 72 3.10 17 0.47 0.68 +++++ +++*+++++ +++ VdW CE3 TRP 72 - N LEU 73 3.05 20 0.55 0.86 +++++++++++*++++++++ VdW CE3 TRP 72 - CB LEU 73 3.20 14 0.26 0.48 ++ ++ + +++ *+++ + + VdW CE3 TRP 72 - HB3 LEU 73 2.60 16 0.46 0.89 ++ +++ ++++*+++++ + VdW HE3 TRP 72 - C TRP 72 2.50 18 0.47 0.77 ++++++++++++*++ +++ VdW HE3 TRP 72 - N LEU 73 2.45 17 0.46 0.87 ++++++++++++* ++++ VdW CZ3 TRP 72 - CB LEU 73 3.20 18 0.40 0.70 +++++++++*+ ++++ +++ VdW CZ3 TRP 72 - HB3 LEU 73 2.60 17 0.59 1.06 +++ +++ +*++++++ +++ VdW CZ3 TRP 72 - CG LEU 73 3.20 7 0.17 0.68 * + + + + ++ VdW CZ3 TRP 72 - CD2 LEU 73 3.20 6 0.12 0.59 + *+ +++ VdW CH2 TRP 72 - CD1 LEU 87 3.20 6 0.12 0.42 * + ++ + + VdW CH2 TRP 72 - CD2 LEU 87 3.20 12 0.21 0.49 + + ++ + ++ + + ++* VdW HH2 TRP 72 - CG LEU 87 2.60 6 0.15 0.60 + + +++ * VdW HH2 TRP 72 - CD1 LEU 87 2.60 8 0.24 0.78 + * ++ + + + + VdW HH2 TRP 72 - CD2 LEU 87 2.60 10 0.24 0.60 + +++ + ++++ * VdW CA LEU 73 - CG2 VAL 77 3.20 6 0.10 0.43 + + + * ++ VdW CA LEU 73 - HG22 VAL 77 2.60 6 0.19 0.84 + + ++* + VdW CG LEU 73 - N ARG 74 3.05 12 0.37 0.97 + + ++ + +++++ * + VdW CG LEU 73 - H ARG 74 2.55 12 0.37 1.39 + + +++ +++++ * + VdW HG LEU 73 - C LEU 73 2.50 6 0.11 0.38 + + * ++ + VdW HG LEU 73 - N ARG 74 2.45 10 0.29 1.01 + + + + ++++ * + VdW CD1 LEU 73 - C LEU 73 3.10 7 0.27 1.02 *+ + + ++ + VdW CD1 LEU 73 - N ARG 74 3.05 7 0.22 1.09 + ++ + *+ + VdW CD1 LEU 73 - HG3 MET 83 2.60 6 0.13 0.55 ++ + + * + VdW CD1 LEU 73 - CD2 LEU 87 3.20 6 0.17 0.69 + + ++ * + VdW HD13 LEU 73 - C LEU 73 2.50 6 0.17 0.92 *+ + ++ + VdW CD2 LEU 73 - N ARG 74 3.05 10 0.25 0.75 + + + *++++ + + VdW CD2 LEU 73 - H ARG 74 2.55 9 0.34 1.11 + + + * +++ + + VdW CD2 LEU 73 - CD2 LEU 87 3.20 7 0.15 0.52 *++ + + + + VdW C LEU 73 - HG22 VAL 77 2.50 6 0.14 0.79 + + +*+ + VdW O LEU 73 - CB ARG 74 2.90 12 0.30 0.60 + * ++ ++ +++ + ++ VdW O LEU 73 - HB3 ARG 74 2.30 9 0.22 0.65 + ++ + *++ + + VdW N ARG 74 - CG2 VAL 77 3.05 6 0.19 0.82 + + + + * + VdW HA ARG 74 - CD PRO 75 2.60 8 0.12 0.30 + + +++ +* + VdW CB ARG 74 - CD PRO 75 3.20 9 0.27 0.84 ++ + +*+ +++ VdW CB ARG 74 - HD3 PRO 75 2.60 8 0.16 0.54 ++ +*+ +++ VdW CB ARG 74 - CG2 VAL 77 3.20 7 0.13 0.54 + * +++ + + VdW HB2 ARG 74 - CG1 VAL 77 2.60 7 0.17 0.57 *+ + + + + + VdW HB2 ARG 74 - CG2 VAL 77 2.60 10 0.26 0.69 ++ + +++ ++ +* VdW HB3 ARG 74 - CD PRO 75 2.60 10 0.37 1.15 *+ + + +++ +++ VdW HB3 ARG 74 - HD3 PRO 75 2.00 10 0.30 0.91 ++ + + +++ ++* VdW CD ARG 74 - C ARG 74 3.10 8 0.16 0.50 + + + *++ ++ VdW HD2 ARG 74 - C ARG 74 2.50 7 0.19 0.77 ++ + *++ + VdW O ARG 74 - SD MET 83 3.10 14 0.45 0.91 ++ +*++ +++ ++++ + VdW O ARG 74 - CE MET 83 2.90 15 0.54 1.03 +*+ +++++ ++++ +++ VdW O ARG 74 - HE1 MET 83 2.30 8 0.19 1.04 * ++ ++++ + VdW O ARG 74 - HE2 MET 83 2.30 8 0.20 0.62 + ++++ + +* VdW CB PRO 75 - H GLU 76 2.55 13 0.20 0.38 + + + ++ +* +++ + ++ VdW C PRO 75 - H VAL 77 2.45 8 0.19 0.47 +++ + + + * + VdW N VAL 77 - CG1 VAL 77 2.85 9 0.11 0.24 ++ + + + *+ + + VdW N VAL 77 - CG2 VAL 77 2.85 6 0.09 0.24 + +++ * + VdW CG2 VAL 77 - C VAL 77 2.90 10 0.16 0.33 + ++ + + + *+ + + VdW O VAL 77 - CB ARG 78 2.90 7 0.17 0.58 ++ + * +++ VdW O VAL 77 - CG ARG 78 2.90 8 0.17 0.54 ++ + + *+ ++ VdW CB ARG 78 - H SER 79 2.55 15 0.27 0.39 +++++ + + *+++++++ VdW HB3 ARG 78 - N SER 79 2.45 11 0.21 0.37 +++++ + ++ ++ * VdW HB3 ARG 78 - H SER 79 1.95 13 0.31 0.64 +++++ ++ ++ ++ *+ VdW CB SER 79 - CB GLN 82 3.20 6 0.12 0.42 ++ * + + + VdW C SER 79 - SD MET 83 3.30 7 0.15 0.52 + + *+ + ++ VdW O SER 79 - CB MET 83 2.90 9 0.20 0.61 *++ + ++ + + + VdW O SER 79 - HB3 MET 83 2.30 11 0.28 0.81 *+ + ++ + ++ ++ + VdW O SER 79 - CG MET 83 2.90 7 0.16 0.64 ++*+ ++ + VdW O SER 79 - SD MET 83 3.10 15 0.56 1.04 +++ ++++ +++ +++* + VdW O SER 79 - CE MET 83 2.90 8 0.20 0.76 + + + +++ +* VdW HA LYS 80 - SD MET 83 2.80 7 0.13 0.49 ++ ++ + + * VdW O LYS 80 - CD2 LEU 84 2.90 7 0.13 0.60 + *+ + + + + VdW CG MET 83 - N LEU 84 3.05 15 0.28 0.52 +++ + + *+++ ++++++ VdW CG MET 83 - H LEU 84 2.55 8 0.16 0.57 + + ++ *++ + VdW CG MET 83 - HD21 LEU 84 2.60 6 0.10 0.36 *+ + + ++ VdW HG2 MET 83 - N LEU 84 2.45 12 0.37 0.89 ++ + ++ *++ ++ + + VdW HG2 MET 83 - H LEU 84 1.95 12 0.26 0.62 +++ + + +++ +++ * VdW O MET 83 - CD1 LEU 86 2.90 9 0.23 0.62 +++ + *+ + + + VdW O MET 83 - CD2 LEU 86 2.90 8 0.15 0.38 + + + + *+ + + VdW O MET 83 - HD22 LEU 86 2.30 7 0.12 0.48 + * + ++ + + VdW N LEU 84 - CD2 LEU 84 3.05 6 0.13 0.67 + * + + ++ VdW H LEU 84 - CG LEU 84 2.55 6 0.13 0.35 +++ * ++ VdW H LEU 84 - HG LEU 84 1.95 6 0.12 0.42 + * + + + + VdW H LEU 84 - CD2 LEU 84 2.55 6 0.18 0.79 + + * + ++ VdW CA LEU 84 - HG LEU 87 2.60 8 0.21 0.63 ++ ++*+ + + VdW CA LEU 84 - CD2 LEU 87 3.20 6 0.11 0.46 ++ + * + + VdW HA LEU 84 - CG LEU 87 2.60 13 0.28 0.65 ++ ++ ++ ++ ++++* VdW HA LEU 84 - HG LEU 87 2.00 8 0.21 0.77 + ++ + + + + * VdW HA LEU 84 - CD1 LEU 87 2.60 7 0.16 0.63 + +* ++ + + VdW HA LEU 84 - CD2 LEU 87 2.60 14 0.32 0.82 +++ ++ +++ * +++ ++ VdW HA LEU 84 - HD23 LEU 87 2.00 10 0.21 0.91 + *+ + ++ + + ++ VdW CB LEU 84 - CD2 LEU 386 3.20 8 0.18 0.57 + + + + * +++ VdW CB LEU 84 - HD21 LEU 386 2.60 6 0.11 0.51 +* + + ++ VdW HB2 LEU 84 - CD2 LEU 386 2.60 9 0.23 0.71 + +++ *++ ++ VdW HB3 LEU 84 - CD2 LEU 387 2.60 6 0.16 0.63 + + + * + + VdW HG LEU 84 - CD2 LEU 373 2.60 6 0.11 0.52 * ++ ++ + VdW CD2 LEU 84 - CD1 LEU 373 3.20 6 0.11 0.58 + + + * + + VdW C LEU 84 - CG LEU 386 3.10 6 0.11 0.46 ++ + + + * VdW C LEU 84 - HG LEU 386 2.50 7 0.23 0.87 ++ + + + * + VdW O LEU 84 - N LEU 87 2.75 8 0.16 0.47 +*+ + ++ + + VdW O LEU 84 - CG LEU 87 2.90 6 0.14 0.49 + * + + ++ VdW O LEU 84 - HG LEU 87 2.30 9 0.27 0.85 + * + ++ ++++ VdW N GLU 85 - HG LEU 386 2.45 8 0.19 0.59 ++ + + * + + + VdW CD2 LEU 86 - C LEU 86 3.10 13 0.30 0.64 + + * ++ + +++++++ VdW CD2 LEU 86 - N LEU 87 3.05 9 0.21 0.49 ++ + + ++*++ VdW H LEU 87 - CG LEU 87 2.55 6 0.09 0.34 *+ + ++ + VdW H LEU 87 - HG LEU 87 1.95 6 0.14 0.52 +++ ++ * VdW CB LEU 87 - H VAL 88 2.55 6 0.13 0.33 +++ + * + VdW HB2 LEU 87 - H VAL 88 1.95 6 0.11 0.43 + + + + * + VdW CD1 LEU 87 - CD1 LEU 387 3.20 9 0.21 0.62 + + *+ ++ + + + VdW N VAL 88 - O LEU 386 2.75 7 0.23 0.84 ++ + + + * + VdW H VAL 88 - CG1 VAL 88 2.55 10 0.15 0.37 + ++ + +++ *+ + VdW H VAL 88 - O LEU 386 1.80 7 0.20 0.69 ++ + + + * + VdW HA VAL 88 - CA GLU 390 2.60 6 0.12 0.46 + + + ++* VdW CB VAL 88 - H LEU 89 2.55 11 0.22 0.42 *+ + + + ++ + +++ VdW CB VAL 88 - C LEU 389 3.10 7 0.14 0.61 ++ ++ * ++ VdW HB VAL 88 - H LEU 89 1.95 7 0.12 0.42 +++ +* + + VdW HB VAL 88 - HB2 GLU 390 2.00 7 0.13 0.53 ++ ++ ++* VdW CG1 VAL 88 - O LEU 386 2.90 8 0.31 1.12 + ++ ++ + +* VdW CG1 VAL 88 - CA LEU 387 3.20 8 0.21 0.87 ++ ++ + *+ + VdW CG1 VAL 88 - C LEU 387 3.10 8 0.25 0.87 +* ++ + ++ + VdW CG1 VAL 88 - O LEU 387 2.90 6 0.20 0.74 + + + + +* VdW CG1 VAL 88 - N VAL 388 3.05 6 0.21 0.79 *+ + + + + VdW CG1 VAL 88 - C VAL 388 3.10 6 0.21 0.88 ++ + +* + VdW CG1 VAL 88 - N LEU 389 3.05 6 0.22 0.97 ++ + ++ * VdW CG1 VAL 88 - CA LEU 389 3.20 6 0.16 0.71 ++ * ++ + VdW CG1 VAL 88 - C LEU 389 3.10 6 0.24 1.05 +* + ++ + VdW CG1 VAL 88 - HB2 GLU 390 2.60 6 0.16 0.84 + * + +++ VdW HG12 VAL 88 - C LEU 386 2.50 6 0.18 0.95 ++ * + ++ VdW CG2 VAL 88 - C VAL 88 2.90 11 0.16 0.33 +++ * + +++ ++ + VdW CG2 VAL 88 - N LEU 89 3.05 10 0.34 0.87 +* ++ + ++ ++ + VdW CG2 VAL 88 - H LEU 89 2.55 9 0.28 0.99 +* ++ ++ ++ + VdW CG2 VAL 88 - O LEU 386 2.90 7 0.25 0.99 + ++ *+ ++ VdW CG2 VAL 88 - CA LEU 387 3.20 7 0.23 0.94 +++ + + * + VdW CG2 VAL 88 - HA LEU 387 2.60 6 0.19 0.89 +++ * + + VdW CG2 VAL 88 - C VAL 388 3.10 6 0.16 0.68 *+ ++ ++ VdW CG2 VAL 88 - N LEU 389 3.05 7 0.26 1.16 ++ *+ + ++ VdW CG2 VAL 88 - CA LEU 389 3.20 6 0.22 1.14 *+ ++ ++ VdW CG2 VAL 88 - C LEU 389 3.10 6 0.22 1.07 *+ ++ ++ VdW CG2 VAL 88 - HB2 GLU 390 2.60 6 0.13 0.55 + + ++ * + VdW HG22 VAL 88 - N LEU 89 2.45 6 0.13 0.58 ++ * + + + VdW C VAL 88 - N GLU 90 2.95 19 0.46 0.64 +++++++*++++ +++++++ VdW C VAL 88 - H GLU 90 2.45 17 0.53 0.83 +++++++*+ ++ ++++++ VdW C VAL 88 - O LEU 389 2.80 6 0.16 0.77 + + *+ ++ VdW O VAL 88 - C LEU 89 2.80 17 0.38 0.48 ++++++++*+++ + +++ + VdW O VAL 88 - N GLU 90 2.75 19 0.96 1.31 +++++++*++++ +++++++ VdW O VAL 88 - H GLU 90 1.80 13 0.40 0.88 ++++++++ *++++ VdW O VAL 88 - CA GLU 90 2.90 12 0.26 0.51 ++++*+ ++ + +++ VdW O VAL 88 - CB GLU 90 2.90 7 0.15 0.37 ++ + * ++ + VdW N LEU 89 - HB3 GLU 390 2.45 6 0.13 0.77 + + * + ++ VdW H LEU 89 - HB3 GLU 390 1.95 6 0.13 0.63 * + + + ++ VdW CA LEU 89 - CD2 LEU 389 3.20 8 0.22 0.72 + ++ ++ ++* VdW CA LEU 89 - O GLU 390 2.90 6 0.14 0.65 + * + + ++ VdW HA LEU 89 - CD2 LEU 389 2.60 7 0.19 0.81 + * +++ + + VdW HA LEU 89 - O GLU 390 2.30 6 0.22 0.91 + + + * ++ VdW CD2 LEU 89 - HD3 PRO 112 2.60 9 0.20 0.56 ++ ++ *+ +++ VdW C LEU 89 - CD2 LEU 389 3.10 8 0.25 0.75 * + ++ + +++ VdW N GLU 90 - CD2 LEU 389 3.05 8 0.29 0.87 + * ++ ++ ++ VdW N GLU 90 - HD23 LEU 389 2.45 7 0.19 0.70 + +* ++ ++ VdW H GLU 90 - H GLN 91 1.90 10 0.15 0.33 + ++ ++ + + ++* VdW H GLU 90 - CD2 LEU 389 2.55 6 0.13 0.68 + + ++ +* VdW N GLN 91 - O LEU 389 2.75 6 0.12 0.42 ++ ++ * + VdW CB GLN 91 - H PHE 92 2.55 9 0.16 0.32 + ++ *+ + + ++ VdW CB GLN 91 - CA GLU 390 3.20 8 0.19 0.62 + + ++ + * + + VdW CB GLN 91 - C GLU 390 3.10 11 0.33 0.76 ++ ++ ++ ++ *++ VdW CB GLN 91 - O GLU 390 2.90 12 0.37 0.97 ++ ++ +++ *+ +++ VdW HB2 GLN 91 - O GLU 390 2.30 11 0.25 0.90 ++ ++ ++ ++ *++ VdW HB3 GLN 91 - C LEU 389 2.50 6 0.14 0.59 + + ++ * + VdW HB3 GLN 91 - N GLU 390 2.45 6 0.15 0.85 + ++ + * + VdW HB3 GLN 91 - CA GLU 390 2.60 11 0.31 0.89 ++ ++ ++ +* +++ VdW HB3 GLN 91 - HA GLU 390 2.00 7 0.12 0.52 + + ++ +* + VdW HB3 GLN 91 - C GLU 390 2.50 9 0.24 0.86 *+ ++ + ++ ++ VdW CG GLN 91 - N PHE 92 3.05 12 0.23 0.52 ++ ++ ++ *+ ++ ++ VdW CG GLN 91 - H PHE 92 2.55 10 0.14 0.43 ++ ++ ++ *+ ++ VdW CG GLN 91 - C GLU 390 3.10 12 0.28 0.65 ++ ++ +* ++ + +++ VdW CG GLN 91 - O GLU 390 2.90 10 0.25 0.67 +* + ++ ++ +++ VdW CG GLN 91 - CA GLN 391 3.20 6 0.11 0.30 +* ++ + + VdW HG2 GLN 91 - C GLU 390 2.50 10 0.29 0.75 +* ++ ++ ++ ++ VdW HG2 GLN 91 - O GLU 390 2.30 6 0.09 0.37 ++ * + + + VdW HG2 GLN 91 - N GLN 391 2.45 12 0.32 0.77 ++ +* ++ ++ + +++ VdW HG2 GLN 91 - CA GLN 391 2.60 11 0.30 0.74 ++ ++ +++ ++ *+ VdW HG2 GLN 91 - C GLN 391 2.50 8 0.16 0.67 ++ ++ ++ *+ VdW HG3 GLN 91 - C GLN 91 2.50 8 0.15 0.41 ++ + +* ++ + VdW HG3 GLN 91 - N PHE 92 2.45 13 0.29 0.64 *+ +++++ ++ ++ ++ VdW HG3 GLN 91 - N LEU 393 2.45 8 0.20 0.68 ++ + + * +++ VdW HG3 GLN 91 - H LEU 393 1.95 13 0.30 0.84 ++ ++ +++ ++ * +++ VdW NE2 GLN 91 - N GLY 394 2.90 11 0.33 0.82 + ++ ++* + + +++ VdW HE21 GLN 91 - H GLY 394 1.90 13 0.38 0.84 ++ ++ +++ ++ * +++ VdW C GLN 91 - HG LEU 389 2.50 7 0.14 0.63 + * ++ + ++ VdW C GLN 91 - CD1 LEU 389 3.10 6 0.15 0.87 *+ + + ++ VdW C GLN 91 - HB2 LEU 393 2.50 10 0.24 0.71 + +* + + + + +++ VdW O GLN 91 - C PHE 92 2.80 16 0.33 0.48 +* +++++ +++++++++ VdW O GLN 91 - O PHE 92 2.60 9 0.34 1.14 ++ + ++ ++ *+ VdW O GLN 91 - CD2 LEU 393 2.90 7 0.21 0.93 + + + * +++ VdW N PHE 92 - HG LEU 389 2.45 7 0.16 0.58 * + ++ + ++ VdW CA PHE 92 - CD1 LEU 389 3.20 8 0.13 0.41 + ++ +* + ++ VdW CA PHE 92 - CB PHE 392 3.20 11 0.24 0.69 ++ + +++ ++ +*+ VdW CA PHE 92 - HB3 PHE 392 2.60 13 0.45 1.04 ++ ++ +++ ++ + +*+ VdW CA PHE 92 - CD1 PHE 392 3.20 6 0.13 0.63 + + ++ * + VdW CA PHE 92 - HD1 PHE 392 2.60 6 0.15 0.58 * + ++ + + VdW CA PHE 92 - CD2 PHE 392 3.20 6 0.14 0.59 + + +* ++ VdW CA PHE 92 - HD2 PHE 392 2.60 6 0.14 0.62 + + ++ +* VdW CA PHE 92 - H LEU 393 2.55 10 0.18 0.61 ++ ++ * + ++ ++ VdW HA PHE 92 - CB PHE 392 2.60 13 0.48 1.08 ++ ++ +++ ++ + +*+ VdW HA PHE 92 - HB3 PHE 392 2.00 13 0.57 1.24 ++ ++ +++ +* + +++ VdW HA PHE 92 - CG PHE 392 2.60 12 0.26 0.62 ++ ++ +* ++ + +++ VdW HA PHE 92 - CD1 PHE 392 2.60 6 0.15 0.75 + + ++ * + VdW HA PHE 92 - CD2 PHE 392 2.60 6 0.16 0.66 + + ++ +* VdW CB PHE 92 - H LEU 93 2.55 10 0.19 0.40 ++ +++ +* + ++ VdW CB PHE 92 - CA LEU 389 3.20 10 0.24 0.65 *+ + +++ ++ ++ VdW CB PHE 92 - HA LEU 389 2.60 10 0.27 0.87 *+ + +++ ++ ++ VdW CB PHE 92 - CB LEU 389 3.20 12 0.35 0.72 ++ ++ +++ ++ *++ VdW CB PHE 92 - HB2 LEU 389 2.60 10 0.31 0.97 + ++ +++ + *++ VdW CB PHE 92 - CG LEU 389 3.20 9 0.21 0.62 ++ + +++ * ++ VdW CB PHE 92 - CD1 LEU 389 3.20 11 0.32 0.97 + ++ +++ + + ++* VdW CB PHE 92 - HB3 PHE 392 2.60 6 0.14 0.61 *+ + ++ + VdW HB2 PHE 92 - CA LEU 389 2.60 12 0.26 0.72 ++ ++ ++* ++ +++ VdW HB2 PHE 92 - HA LEU 389 2.00 11 0.40 1.04 *+ ++ +++ ++ ++ VdW HB3 PHE 92 - CB LEU 389 2.60 11 0.40 1.02 ++ ++ +++ ++ +* VdW HB3 PHE 92 - HB2 LEU 389 2.00 8 0.28 0.91 + ++ +* + ++ VdW HB3 PHE 92 - CG LEU 389 2.60 11 0.40 1.09 ++ + +++ *+ +++ VdW HB3 PHE 92 - CD1 LEU 389 2.60 10 0.40 1.44 + ++ +++ + ++* VdW CG PHE 92 - N LEU 93 3.05 11 0.35 0.79 ++ * +++ ++ +++ VdW CG PHE 92 - H LEU 93 2.55 11 0.49 1.16 ++ * +++ ++ + ++ VdW CG PHE 92 - CA PHE 392 3.20 6 0.14 0.72 + + + + +* VdW CG PHE 92 - HA PHE 392 2.60 6 0.15 0.92 + + + + +* VdW CD1 PHE 92 - N LEU 93 3.05 7 0.21 1.01 + + + *+ + + VdW CD1 PHE 92 - H LEU 93 2.55 8 0.32 1.36 + + + *+ +++ VdW CZ PHE 92 - CG GLN 359 3.20 10 0.38 1.08 *+ ++ + + ++ + + VdW CZ PHE 92 - HG2 GLN 359 2.60 6 0.30 1.31 +* + + + + VdW CZ PHE 92 - HG3 GLN 359 2.60 6 0.12 0.62 ++ + +* + VdW CZ PHE 92 - CD GLN 359 3.10 8 0.19 0.75 ++ ++ * + + + VdW CZ PHE 92 - O ALA 395 2.90 6 0.21 0.92 + + * + ++ VdW HZ PHE 92 - CG GLN 359 2.60 8 0.31 1.16 ++ *+ + + ++ VdW HZ PHE 92 - CD GLN 359 2.50 6 0.26 1.12 + ++ * + + VdW HZ PHE 92 - O ALA 395 2.30 6 0.20 0.96 + + + * ++ VdW CD2 PHE 92 - N LEU 93 3.05 9 0.26 0.99 + ++ ++* ++ + VdW CD2 PHE 92 - H LEU 93 2.55 9 0.29 1.19 ++ ++ *++ + + VdW CD2 PHE 92 - CG PHE 392 3.20 8 0.24 0.78 + ++ ++ + *+ VdW CD2 PHE 92 - CD1 PHE 392 3.20 8 0.19 0.68 + ++ +* + ++ VdW CD2 PHE 92 - CE1 PHE 392 3.20 6 0.10 0.41 *+ + + ++ VdW CD2 PHE 92 - CD2 PHE 392 3.20 7 0.18 0.80 + + ++ + *+ VdW HD2 PHE 92 - CG PHE 392 2.60 8 0.32 1.10 + ++ +* + ++ VdW HD2 PHE 92 - CD1 PHE 392 2.60 6 0.22 1.00 *+ + + ++ VdW HD2 PHE 92 - CD2 PHE 392 2.60 7 0.20 1.27 + + ++ + *+ VdW C PHE 92 - N GLY 94 2.95 17 0.36 0.62 ++++++++*+++++ +++ VdW C PHE 92 - H GLY 94 2.45 17 0.52 0.91 ++++++++*+++++ +++ VdW C PHE 92 - HD1 PHE 392 2.50 7 0.23 0.89 + + * ++ + + VdW C PHE 92 - CD2 PHE 392 3.10 6 0.14 0.63 + + ++ *+ VdW C PHE 92 - HD2 PHE 392 2.50 6 0.18 0.68 + + *+ ++ VdW C PHE 92 - HA3 GLY 394 2.50 6 0.20 1.07 + + + + *+ VdW O PHE 92 - C LEU 93 2.80 7 0.18 0.47 * + + + + ++ VdW O PHE 92 - N GLY 94 2.75 18 0.60 1.19 +++++++++++++++ +*+ VdW O PHE 92 - H GLY 94 1.80 10 0.27 0.88 ++ +++ +++ *+ VdW O PHE 92 - CA LEU 393 2.90 7 0.17 0.69 ++ + + + * + VdW O PHE 92 - HA LEU 393 2.30 6 0.15 0.69 ++ + + + * VdW O PHE 92 - CD2 LEU 393 2.90 8 0.22 0.86 * + + + + +++ VdW O PHE 92 - HA3 GLY 394 2.30 6 0.19 1.05 + + + * ++ VdW N LEU 93 - HA3 GLY 394 2.45 6 0.16 0.89 + + + + *+ VdW CA LEU 93 - CA GLY 394 3.20 6 0.19 0.82 + + + + *+ VdW CA LEU 93 - HA3 GLY 394 2.60 6 0.21 0.92 + + + + +* VdW CA LEU 93 - HB1 ALA 415 2.60 6 0.16 0.77 + * + + + + VdW CA LEU 93 - N ALA 416 3.05 6 0.11 0.50 + + * + ++ VdW CA LEU 93 - H ALA 416 2.55 6 0.18 0.89 + *+ ++ + VdW HA LEU 93 - CD1 LEU 93 2.60 7 0.12 0.48 + + ++ * + + VdW HA LEU 93 - CA GLY 394 2.60 6 0.24 0.90 + * + + ++ VdW CB LEU 93 - CB ALA 415 3.20 12 0.42 1.02 ++ + +++ ++ + *++ VdW CB LEU 93 - HB1 ALA 415 2.60 9 0.30 0.77 +* +++ + + ++ VdW HB3 LEU 93 - CB ALA 415 2.60 10 0.45 1.40 ++ + +++ ++ *+ VdW HB3 LEU 93 - HB1 ALA 415 2.00 7 0.23 0.89 + ++ ++ +* VdW CG LEU 93 - O SER 411 2.90 9 0.32 0.96 + ++ ++ ++ +* VdW CG LEU 93 - N ALA 415 3.05 6 0.23 0.88 *+ + ++ + VdW CG LEU 93 - H ALA 415 2.55 9 0.23 0.89 *+ + ++ ++ ++ VdW CG LEU 93 - CA ALA 415 3.20 7 0.15 0.70 ++ + ++ + * VdW CG LEU 93 - CB ALA 415 3.20 6 0.15 0.52 *+ + ++ + VdW CG LEU 93 - H ALA 416 2.55 6 0.17 0.67 +* ++ ++ VdW CD1 LEU 93 - O SER 411 2.90 6 0.29 1.39 + + + + +* VdW CD1 LEU 93 - N ALA 415 3.05 7 0.18 0.76 + ++ + + +* VdW CD1 LEU 93 - N ALA 416 3.05 6 0.12 0.58 ++ *+ ++ VdW CD1 LEU 93 - H ALA 416 2.55 6 0.15 0.64 +* ++ ++ VdW CD2 LEU 93 - C SER 411 3.10 6 0.16 0.64 ++ + + +* VdW CD2 LEU 93 - O SER 411 2.90 8 0.47 1.57 ++ + ++ +* + VdW CD2 LEU 93 - N GLU 414 3.05 6 0.16 0.89 + +* + ++ VdW CD2 LEU 93 - H GLU 414 2.55 6 0.12 0.64 * + + + ++ VdW CD2 LEU 93 - N ALA 415 3.05 9 0.20 0.73 ++ + ++ ++ +* VdW CD2 LEU 93 - H ALA 415 2.55 10 0.28 1.01 *+ ++ ++ ++ ++ VdW HD21 LEU 93 - O SER 411 2.30 6 0.28 1.21 ++ + + +* VdW C LEU 93 - CB ALA 415 3.10 6 0.19 0.71 + + *+ ++ VdW C LEU 93 - HB1 ALA 415 2.50 6 0.25 1.08 ++ + * + + VdW O LEU 93 - NE2 GLN 101 2.75 6 0.13 0.86 + + + + + * VdW O LEU 93 - CB ALA 415 2.90 6 0.15 0.68 ++ +*+ + VdW O LEU 93 - C ALA 415 2.80 7 0.17 0.74 ++ + ++ * + VdW O LEU 93 - N ALA 416 2.75 6 0.24 1.02 ++ + *+ + VdW N GLY 94 - HE2 PHE 392 2.45 6 0.16 0.67 * + ++ ++ VdW N GLY 94 - HA LEU 393 2.45 7 0.16 0.65 + + + * + + + VdW N GLY 94 - CD2 LEU 393 3.05 6 0.12 0.61 + ++ + *+ VdW CA GLY 94 - HA LEU 393 2.60 13 0.37 0.95 ++ ++ +++ ++ * +++ VdW HA2 GLY 94 - NE2 GLN 101 2.45 6 0.13 0.88 + + * + ++ VdW HA3 GLY 94 - CA LEU 393 2.60 11 0.27 0.94 ++ ++ + + ++ * + + VdW HA3 GLY 94 - HA LEU 393 2.00 13 0.41 0.96 ++ ++ +++ ++ * +++ VdW HA3 GLY 94 - CD1 LEU 393 2.60 6 0.15 0.53 * ++ + ++ VdW O GLY 94 - CD2 LEU 396 2.90 9 0.27 0.75 + + ++ ++ *++ VdW O GLY 94 - HD22 LEU 396 2.30 7 0.15 0.56 ++ + *+ ++ VdW N ALA 95 - CE1 PHE 392 3.05 7 0.19 0.81 + + * ++ + + VdW N ALA 95 - CE2 PHE 392 3.05 6 0.20 0.84 + + ++ *+ VdW CA ALA 95 - HB2 LEU 396 2.60 6 0.14 0.49 + + + +*+ VdW HA ALA 95 - CB LEU 396 2.60 11 0.31 1.21 ++ ++ ++ + * +++ VdW HA ALA 95 - HB2 LEU 396 2.00 7 0.18 0.65 * + + + +++ VdW CB ALA 95 - CB ALA 395 3.20 11 0.21 0.49 ++ ++ ++ + ++ * + VdW C ALA 95 - CZ PHE 392 3.10 13 0.41 0.92 ++ ++ +++ ++ + +*+ VdW C ALA 95 - HZ PHE 392 2.50 9 0.18 0.61 + + ++ ++ ++* VdW O ALA 95 - CE1 PHE 392 2.90 9 0.31 0.96 ++ ++ ++ + *+ VdW O ALA 95 - CZ PHE 392 2.90 13 0.62 1.38 ++ ++ +++ ++ + +*+ VdW O ALA 95 - HZ PHE 392 2.30 11 0.43 1.19 +* ++ ++ ++ +++ VdW O ALA 95 - CE2 PHE 392 2.90 6 0.18 0.98 + + + + *+ VdW H LEU 96 - CD1 LEU 396 2.55 7 0.17 0.57 ++ ++ *++ VdW CA LEU 96 - CD2 LEU 96 3.00 7 0.09 0.26 + ++ ++ +* VdW HA LEU 96 - CD2 LEU 96 2.60 7 0.16 0.49 * ++ ++ ++ VdW HA LEU 96 - CD PRO 97 2.60 10 0.15 0.27 ++ ++ + ++ + *+ VdW CB LEU 96 - CG GLN 101 3.20 11 0.20 0.65 ++ ++ ++ +* +++ VdW CB LEU 96 - HG2 GLN 101 2.60 7 0.13 0.62 ++ ++ + * + VdW CB LEU 96 - NE2 GLN 101 3.05 8 0.23 0.83 + +*+ + +++ VdW CB LEU 96 - HE21 GLN 101 2.55 12 0.41 1.03 *+ ++ +++ ++ +++ VdW HB2 LEU 96 - NE2 GLN 101 2.45 9 0.26 0.87 + ++ +* ++ ++ VdW HB2 LEU 96 - HE21 GLN 101 1.95 11 0.36 0.96 ++ *+ ++ ++ +++ VdW HB3 LEU 96 - CG GLN 101 2.60 11 0.37 0.86 ++ + +++ +* +++ VdW HB3 LEU 96 - HG2 GLN 101 2.00 8 0.23 0.75 ++ ++ +* ++ VdW HB3 LEU 96 - NE2 GLN 101 2.45 6 0.13 0.51 ++ +* + + VdW HB3 LEU 96 - HE21 GLN 101 1.95 7 0.16 0.64 ++ ++ + + * VdW CG LEU 96 - HZ PHE 392 2.60 8 0.25 1.17 + *+ ++ ++ + VdW HG LEU 96 - HZ PHE 392 2.00 7 0.23 1.33 + *+ + ++ + VdW CD1 LEU 96 - NE2 GLN 359 3.05 8 0.23 0.77 * ++ + + ++ + VdW CD1 LEU 96 - CB ALA 416 3.20 8 0.15 0.65 + +* ++ + ++ VdW CD1 LEU 96 - O ALA 416 2.90 7 0.20 0.78 + + *+ ++ + VdW CD2 LEU 96 - CB PRO 358 3.20 9 0.32 1.22 + ++ +* ++ ++ VdW CD2 LEU 96 - HB2 PRO 358 2.60 9 0.48 1.36 + ++ *+ ++ ++ VdW CD2 LEU 96 - NE2 GLN 359 3.05 7 0.22 0.86 + *+ + + + + VdW CD2 LEU 96 - HZ PHE 392 2.60 8 0.15 0.56 ++ ++ ++ *+ VdW CD2 LEU 96 - O GLY 394 2.90 6 0.19 1.36 + + + + * + VdW HD21 LEU 96 - HB2 PRO 358 2.00 6 0.19 0.97 + + +* ++ VdW HD22 LEU 96 - CB PRO 358 2.60 6 0.22 1.12 + + +* + + VdW HD22 LEU 96 - HB2 PRO 358 2.00 9 0.25 1.08 + ++ *+ ++ ++ VdW O LEU 96 - CG2 VAL 419 2.90 11 0.29 0.81 ++ ++ * ++ + +++ VdW O LEU 96 - HG21 VAL 419 2.30 6 0.14 0.79 + * + + ++ VdW CD PRO 97 - HB3 PRO 358 2.60 9 0.26 1.09 ++ + + + ++ +* VdW HA PRO 97 - CD PRO 98 2.60 13 0.17 0.28 ++ ++ +*+ ++ + +++ VdW CG PRO 97 - CD1 ILE 100 3.20 7 0.15 0.36 * + + ++ ++ VdW CG PRO 97 - OH TYR 352 2.90 6 0.11 0.37 + + * + + + VdW HG2 PRO 97 - CG1 ILE 100 2.60 10 0.27 0.77 +++ + ++ ++ + * VdW HG2 PRO 97 - HG12 ILE 100 2.00 8 0.19 0.60 ++ + * ++ + + VdW HG2 PRO 97 - CD1 ILE 100 2.60 10 0.22 0.77 ++ + + + ++ + *+ VdW HG3 PRO 97 - CZ TYR 352 2.60 6 0.14 0.43 + * ++ ++ VdW HG3 PRO 97 - OH TYR 352 2.30 13 0.37 0.74 ++ ++ +++ ++ + *++ VdW HD2 PRO 97 - CB PRO 358 2.60 8 0.21 0.88 ++ + + ++ +* VdW HD2 PRO 97 - HB3 PRO 358 2.00 8 0.18 0.67 + + + + ++ +* VdW C PRO 97 - H GLU 99 2.45 15 0.22 0.38 ++ +++++ +++*++++ VdW O PRO 97 - HB2 GLN 101 2.30 8 0.17 0.68 + + *+ ++ + + VdW CA PRO 98 - CA ASP 420 3.20 9 0.18 0.64 ++ + ++ + * ++ VdW CA PRO 98 - HA ASP 420 2.60 13 0.39 0.94 ++ ++ +++ ++ * +++ VdW HA PRO 98 - CA ASP 420 2.60 13 0.33 0.79 ++ ++ +++ ++ * +++ VdW HA PRO 98 - HA ASP 420 2.00 13 0.37 0.79 ++ +* +++ ++ + +++ VdW HB2 PRO 98 - CG ARG 423 2.60 7 0.15 0.40 ++ + + + +* VdW HB3 PRO 98 - O VAL 419 2.30 11 0.22 0.56 ++ ++ +++ + * ++ VdW HG2 PRO 98 - HD2 ARG 423 2.00 10 0.21 0.45 + ++ *++ ++ ++ VdW HD3 PRO 98 - CG2 ILE 400 2.60 6 0.13 0.53 + + + ++* VdW HD3 PRO 98 - CD1 ILE 400 2.60 9 0.18 0.54 + + ++ * + +++ VdW O PRO 98 - CG ASP 420 2.80 6 0.12 0.45 + * + +++ VdW CG2 ILE 100 - O VAL 119 2.90 6 0.13 0.68 + + + *++ VdW CD1 ILE 100 - O LEU 396 2.90 6 0.17 0.89 + + + + * + VdW O ILE 100 - C GLN 101 2.80 10 0.20 0.48 ++ + + +*++ + + VdW O ILE 100 - N ALA 102 2.75 6 0.11 0.44 + * + ++ + VdW O ILE 100 - N ARG 103 2.75 13 0.30 0.66 ++ ++ ++ +++ +*++ VdW O ILE 100 - H ARG 103 1.80 7 0.17 0.58 + + + +* ++ VdW O ILE 100 - HB2 ARG 103 2.30 6 0.14 0.49 + + * + + + VdW CA GLN 101 - O ALA 416 2.90 8 0.27 1.77 *+ + + + +++ VdW CA GLN 101 - HA ALA 417 2.60 8 0.16 0.54 + + * + + +++ VdW HA GLN 101 - O ALA 416 2.30 9 0.31 1.22 *+ ++ + + +++ VdW CB GLN 101 - O ALA 416 2.90 7 0.19 1.21 ++ *+ + + + VdW CB GLN 101 - HA ALA 417 2.60 6 0.09 0.35 ++ + * + + VdW CG GLN 101 - O ALA 416 2.90 11 0.39 0.88 *+ ++ +++ ++ ++ VdW CG GLN 101 - CG2 VAL 419 3.20 9 0.26 0.68 *+ ++ + + + + + VdW CG GLN 101 - HG22 VAL 419 2.60 6 0.13 0.43 + ++ + + * VdW CG GLN 101 - HG23 VAL 419 2.60 6 0.16 0.74 ++ + + * + VdW HG2 GLN 101 - O ALA 416 2.30 11 0.37 1.12 ++ + *+ ++ + +++ VdW HG3 GLN 101 - CG2 VAL 419 2.60 9 0.27 0.79 *+ ++ + + + + + VdW CD GLN 101 - C ALA 416 3.00 10 0.25 0.60 *+ + +++ ++ ++ VdW CD GLN 101 - O ALA 416 2.80 8 0.19 0.68 *+ +++ + ++ VdW CD GLN 101 - CG1 VAL 419 3.10 9 0.16 0.43 *+ ++ + + + + + VdW CD GLN 101 - CG2 VAL 419 3.10 10 0.21 0.58 +* ++ + + + + + + VdW OE1 GLN 101 - O ALA 415 2.60 8 0.24 1.18 + + *+ ++ ++ VdW OE1 GLN 101 - C ALA 417 2.80 8 0.16 0.53 *+ + + ++ ++ VdW OE1 GLN 101 - N LEU 418 2.75 10 0.22 0.57 ++ +* + ++ + ++ VdW OE1 GLN 101 - N VAL 419 2.75 13 0.43 1.11 ++ ++ *++ ++ + +++ VdW NE2 GLN 101 - CA ALA 416 3.05 7 0.12 0.48 ++ + + *+ + VdW NE2 GLN 101 - HA ALA 416 2.45 8 0.16 0.47 ++ + ++ ++ * VdW NE2 GLN 101 - CG1 VAL 419 3.05 9 0.21 0.81 *+ ++ + + + + + VdW C GLN 101 - N ARG 103 2.95 6 0.13 0.39 + * + ++ + VdW C GLN 101 - H ARG 103 2.45 7 0.16 0.60 + ++ ++ +* VdW C GLN 101 - CA ALA 417 3.10 6 0.10 0.32 + +* + ++ VdW C GLN 101 - HA ALA 417 2.50 12 0.31 0.71 ++ +* + + ++ + +++ VdW O GLN 101 - N ARG 103 2.75 7 0.15 0.52 + * + + ++ + VdW O GLN 101 - CG1 VAL 104 2.90 9 0.21 0.72 + *+ ++ + ++ + VdW O GLN 101 - HG11 VAL 104 2.30 9 0.21 0.61 ++*+ ++ ++ + VdW O GLN 101 - HG12 VAL 104 2.30 7 0.13 0.57 ++ + + * + + VdW O GLN 101 - CA ALA 417 2.90 6 0.15 0.72 + *+ + ++ VdW O GLN 101 - HA ALA 417 2.30 10 0.24 0.74 ++ +*+ + + +++ VdW O GLN 101 - CB ALA 417 2.90 6 0.13 0.75 ++ + * + + VdW N ALA 102 - CB ASP 420 3.05 7 0.17 0.67 ++ + + * ++ VdW H ALA 102 - CB ASP 420 2.55 10 0.30 0.77 ++ ++ + ++ + +* VdW H ALA 102 - HB2 ASP 420 1.95 6 0.11 0.60 +* + + ++ VdW CB ALA 102 - CG ASP 420 3.10 7 0.14 0.39 + ++ * + + + VdW H VAL 104 - CG1 VAL 104 2.55 8 0.19 0.40 + ++ +* + ++ VdW CG2 VAL 104 - C VAL 104 2.90 13 0.22 0.32 ++ ++++ +* + ++++ VdW CG2 VAL 104 - N GLN 105 3.05 7 0.15 0.44 *+ + + + ++ VdW H GLN 105 - CB ALA 417 2.55 7 0.11 0.43 + ++ + +*+ VdW HB2 GLN 105 - CB ALA 417 2.60 9 0.20 0.55 ++ ++ + ++ *+ VdW NE2 GLN 105 - O GLU 414 2.75 7 0.14 0.60 ++ + + + *+ VdW NE2 GLN 105 - CB ALA 417 3.05 6 0.12 0.46 ++ + * ++ VdW C GLN 105 - H GLN 107 2.45 10 0.22 0.42 +++++ ++ +* + VdW CB PRO 109 - H GLY 110 2.55 8 0.14 0.38 + + + ++ +*+ VdW CG PRO 109 - CB GLU 413 3.20 7 0.18 0.68 + ++ + *++ VdW CG PRO 109 - HB3 GLU 413 2.60 6 0.17 0.83 *+ + +++ VdW HG2 PRO 109 - H GLY 110 1.95 11 0.17 0.28 +++ +++ *++ ++ VdW HG2 PRO 109 - CB GLU 413 2.60 8 0.20 0.70 + ++ + + *++ VdW HG2 PRO 109 - CG GLU 413 2.60 8 0.19 0.61 + + *++ ++ + VdW HG2 PRO 109 - HG2 GLU 413 2.00 6 0.12 0.62 + + +++ * VdW C SER 111 - H GLU 113 2.45 8 0.13 0.38 + *+ + + + ++ VdW C SER 111 - HG2 PRO 412 2.50 9 0.18 0.64 + + ++ + + *++ VdW N PRO 112 - CG PRO 412 3.05 6 0.14 0.45 ++ + + + * VdW CA PRO 112 - CB PRO 412 3.20 10 0.18 0.62 ++ ++ + + * +++ VdW CA PRO 112 - HB2 PRO 412 2.60 8 0.20 0.71 + ++ + + +*+ VdW HA PRO 112 - CB PRO 412 2.60 13 0.34 0.94 ++ ++ +++ ++ * +++ VdW HA PRO 112 - HB2 PRO 412 2.00 13 0.39 0.84 ++ ++ +++ ++ * +++ VdW CB PRO 112 - CG2 VAL 388 3.20 6 0.15 0.77 ++ ++ * + VdW CG PRO 112 - C LEU 389 3.10 7 0.17 0.67 + * + + + ++ VdW HG2 PRO 112 - H GLU 113 1.95 9 0.12 0.29 + ++ + + * +++ VdW HG3 PRO 112 - C LEU 389 2.50 7 0.17 0.65 + + * + + ++ VdW HG3 PRO 112 - N GLU 390 2.45 6 0.20 0.75 + + + + +* VdW HG3 PRO 112 - CA GLU 390 2.60 6 0.15 0.72 + + * + ++ VdW C PRO 112 - N GLU 114 2.95 6 0.12 0.42 * ++ + ++ VdW C PRO 112 - H GLU 114 2.45 6 0.16 0.62 * ++ + + + VdW C PRO 112 - CD1 LEU 362 3.10 6 0.16 0.80 + + + ++* VdW C PRO 112 - CD2 LEU 393 3.10 6 0.13 0.65 + + * + ++ VdW O PRO 112 - N GLU 114 2.75 6 0.13 0.56 * ++ + ++ VdW O PRO 112 - CB LEU 362 2.90 6 0.14 0.74 + + + * ++ VdW O PRO 112 - CG LEU 362 2.90 8 0.23 0.74 ++ ++ + *+ + VdW O PRO 112 - CD1 LEU 362 2.90 9 0.37 1.05 ++ ++ + + ++* VdW O PRO 112 - HD11 LEU 362 2.30 6 0.18 1.00 + + * +++ VdW N GLU 113 - CD2 LEU 393 3.05 6 0.13 0.68 + + * + ++ VdW HA GLU 113 - C LEU 362 2.50 6 0.14 0.69 ++ + + *+ VdW CG GLU 113 - O LEU 362 2.90 9 0.21 0.77 ++ * ++ ++ ++ VdW CG GLU 113 - HA ALA 363 2.60 7 0.13 0.57 +* + ++ ++ VdW HG2 GLU 113 - O LEU 362 2.30 9 0.22 0.71 +* + ++ ++ ++ VdW HG2 GLU 113 - HA ALA 363 2.00 7 0.19 0.73 *+ ++ + ++ VdW N GLU 114 - CD2 LEU 393 3.05 7 0.21 0.83 + + + + + *+ VdW O GLU 114 - C ALA 115 2.80 9 0.18 0.39 + + * + + + ++ + VdW O GLU 114 - CG LEU 118 2.90 8 0.15 0.45 + + + *+ + ++ VdW O GLU 114 - HG LEU 118 2.30 9 0.28 0.67 ++ + + + ++ + * VdW N ALA 115 - CD2 LEU 393 3.05 7 0.17 0.59 + + + + * ++ VdW H ALA 115 - CG LEU 393 2.55 6 0.15 0.98 * + + + ++ VdW HA ALA 115 - CG LEU 118 2.60 6 0.11 0.42 * + + + + + VdW CB ALA 115 - CB LEU 393 3.20 6 0.20 0.91 + + * + ++ VdW CB ALA 115 - HB3 LEU 393 2.60 6 0.23 0.99 + + * + ++ VdW CB ALA 115 - O PRO 412 2.90 8 0.25 1.08 ++ * ++ +++ VdW HB2 ALA 115 - O PRO 412 2.30 6 0.17 1.14 ++ +* ++ VdW HB3 ALA 115 - HB3 LEU 393 2.00 6 0.16 0.90 + + + * ++ VdW C ALA 115 - N ALA 117 2.95 7 0.15 0.53 * + + + + ++ VdW C ALA 115 - H ALA 117 2.45 6 0.17 0.70 + + * + + + VdW O ALA 115 - C ALA 116 2.80 10 0.18 0.40 ++ + + +* ++ ++ VdW O ALA 115 - N ALA 117 2.75 7 0.26 0.91 + + + * + ++ VdW O ALA 115 - N LEU 118 2.75 8 0.23 0.72 + + + + ++ +* VdW N ALA 116 - HA LEU 393 2.45 6 0.22 0.85 + + + + +* VdW H ALA 116 - CA LEU 393 2.55 7 0.21 1.03 + * + + + ++ VdW H ALA 116 - HA LEU 393 1.95 6 0.25 1.06 + * + + ++ VdW HA ALA 116 - CG1 VAL 119 2.60 7 0.14 0.54 * + ++ + ++ VdW CB ALA 116 - CA GLN 359 3.20 8 0.17 0.62 + + ++ * +++ VdW CB ALA 116 - CB GLN 359 3.20 10 0.33 1.14 ++ + *++ + +++ VdW CB ALA 116 - HB2 GLN 359 2.60 6 0.18 0.97 ++ + * + + VdW CB ALA 116 - HB3 GLN 359 2.60 6 0.23 1.10 + + +++ * VdW CB ALA 116 - C GLN 359 3.10 7 0.19 0.84 +* + + + + + VdW HB1 ALA 116 - CB GLN 359 2.60 6 0.14 0.59 + * + +++ VdW C ALA 116 - CD GLN 401 3.00 6 0.14 0.58 + + + + *+ VdW O ALA 116 - CG GLN 401 2.90 7 0.19 0.83 + + + + + +* VdW HA ALA 117 - C GLN 401 2.50 6 0.13 0.65 + + + * ++ VdW CB ALA 117 - H GLN 405 2.55 6 0.11 0.53 + + * + ++ VdW H LEU 118 - CG LEU 118 2.55 9 0.13 0.34 * ++ ++ ++ ++ VdW H LEU 118 - HG LEU 118 1.95 9 0.15 0.48 *+ + + + ++ ++ VdW O LEU 118 - N GLY 121 2.75 8 0.14 0.42 + ++ * + + ++ VdW H VAL 119 - CG1 VAL 119 2.55 8 0.17 0.42 + + ++* +++ VdW H VAL 119 - HG13 VAL 119 1.95 7 0.16 0.65 * + ++ + ++ VdW CG1 VAL 119 - NE2 GLN 401 3.05 6 0.15 0.59 * + + + ++ VdW CG2 VAL 119 - C VAL 119 2.90 6 0.14 0.31 + + * +++ VdW CG2 VAL 119 - CD PRO 358 3.20 7 0.15 0.55 * ++ + + ++ VdW CG2 VAL 119 - CG PRO 358 3.20 11 0.28 0.89 ++ + +++ +* +++ VdW CG2 VAL 119 - HG3 PRO 358 2.60 6 0.22 1.05 + + + * + + VdW CG2 VAL 119 - HD2 PRO 358 2.60 6 0.14 0.76 * ++ + + + VdW HG23 VAL 119 - CG PRO 358 2.60 7 0.18 0.85 + + ++ + *+ VdW CB ASP 120 - H ALA 402 2.55 7 0.18 0.60 * + + + + ++ VdW HB2 ASP 120 - HA3 GLY 357 2.00 6 0.10 0.63 + + + +* + VdW HB2 ASP 120 - CB GLN 401 2.60 6 0.10 0.36 + + * + ++ VdW HB2 ASP 120 - HB2 GLN 401 2.00 7 0.16 0.54 + * + + + ++ VdW CD1 LEU 122 - C LEU 122 3.10 7 0.14 0.44 * + + + + + + VdW O ALA 343 - HB3 LEU 368 2.30 7 0.13 0.50 + ++ + + + * VdW NE ARG 344 - HD1 TRP 372 2.45 7 0.18 0.76 + + ++ * + + VdW HB2 PHE 347 - HB2 LEU 368 2.00 7 0.13 0.40 +++ ++ +* VdW CE2 PHE 347 - SG CYS 369 3.40 6 0.19 1.01 + + + + * + VdW CD2 PHE 347 - C PHE 347 3.10 8 0.19 0.70 + + + ++ ++* VdW C ARG 348 - H PHE 350 2.45 6 0.15 0.62 + + + * ++ VdW CE1 PHE 350 - N ALA 361 3.05 6 0.12 0.41 + + + * ++ VdW CE1 PHE 350 - CA ALA 361 3.20 7 0.16 0.64 +*+ + + ++ VdW CE1 PHE 350 - CB ALA 361 3.20 10 0.21 0.62 +++ + ++ +++ * VdW HE1 PHE 350 - N ALA 361 2.45 6 0.11 0.56 ++ + * ++ VdW CZ PHE 350 - C GLU 360 3.10 6 0.15 0.55 + +++ * + VdW CZ PHE 350 - N ALA 361 3.05 6 0.13 0.61 + ++ *+ + VdW HZ PHE 350 - CG GLU 360 2.60 6 0.12 0.49 + *++ ++ VdW HZ PHE 350 - C GLU 360 2.50 6 0.16 0.66 + ++* + + VdW CE2 PHE 350 - CA ALA 361 3.20 7 0.16 0.75 +++ + * ++ VdW CE2 PHE 350 - CB ALA 361 3.20 10 0.30 1.02 +++ + + ++* + + VdW CE2 PHE 350 - HB1 ALA 361 2.60 6 0.13 0.74 +++ + +* VdW HE2 PHE 350 - CB ALA 361 2.60 7 0.19 0.80 +++ + * ++ VdW CD1 TYR 352 - C TYR 352 3.10 8 0.17 0.50 ++ + + * ++ + VdW CD1 TYR 352 - HA PRO 358 2.60 6 0.14 0.57 + + ++ * + VdW HD1 TYR 352 - C TYR 352 2.50 7 0.12 0.64 *+ + + + ++ VdW CD2 TYR 352 - C TYR 352 3.10 12 0.26 0.76 ++ +* + ++ ++ + ++ VdW CD2 TYR 352 - N GLU 353 3.05 6 0.12 0.62 ++ + + + * VdW HD2 TYR 352 - C TYR 352 2.50 8 0.21 0.77 ++ ++ + + * + VdW HD2 TYR 352 - N GLU 353 2.45 8 0.20 0.70 ++ ++ + + * + VdW C GLU 353 - N ALA 355 2.95 7 0.15 0.31 + + + + * ++ VdW C GLU 353 - H ALA 355 2.45 9 0.16 0.43 + + ++ + * +++ VdW O GLU 353 - N THR 356 2.75 10 0.21 0.58 ++ +++ +*+ ++ VdW O GLU 353 - H THR 356 1.80 6 0.14 0.50 + + *+ ++ VdW CG2 THR 356 - C THR 356 2.90 11 0.18 0.32 + ++ ++ + *+ +++ VdW HG2 PRO 358 - H GLN 359 1.95 11 0.16 0.29 ++ ++ ++++ +* + VdW C PRO 358 - N GLU 360 2.95 7 0.15 0.53 + + + + + + * VdW C PRO 358 - H GLU 360 2.45 6 0.18 0.72 * + + + + + VdW O PRO 358 - C GLN 359 2.80 8 0.14 0.45 + + + + ++* + VdW O PRO 358 - N GLU 360 2.75 8 0.26 0.95 + + + * + + + + VdW OE1 GLN 359 - CB ALA 416 2.90 6 0.20 0.96 *+ + + + + VdW C GLN 359 - N ALA 361 2.95 16 0.37 0.61 + +++ ++++++++++*+ VdW C GLN 359 - H ALA 361 2.45 14 0.35 0.77 + +++ +++ ++++ +*+ VdW O GLN 359 - C GLU 360 2.80 19 0.37 0.48 +++++ +*++++++++++++ VdW O GLN 359 - N ALA 361 2.75 18 0.69 1.30 +++++ ++++++++++*+ + VdW O GLN 359 - N LEU 362 2.75 14 0.31 0.64 ++ ++ +++ ++ +++ * + VdW O GLN 359 - H LEU 362 1.80 8 0.13 0.43 *+ + + + + + + VdW O GLU 360 - CG GLN 364 2.90 8 0.22 0.84 + + + + * +++ VdW O GLU 360 - HG3 GLN 364 2.30 6 0.15 0.88 + *+ + + + VdW C ALA 361 - N ALA 363 2.95 7 0.16 0.39 + + ++ *++ VdW O ALA 361 - C LEU 362 2.80 10 0.19 0.41 + ++ + ++++ *+ VdW O ALA 361 - N ALA 363 2.75 13 0.22 0.59 + + ++ + + +++++*+ VdW O ALA 361 - N GLN 364 2.75 16 0.39 0.76 + ++++++ + + +++++*+ VdW O ALA 361 - H GLN 364 1.80 8 0.17 0.53 + + + +++ +* VdW O ALA 361 - N LEU 365 2.75 17 0.36 0.62 +++++*++++++++++ + VdW O ALA 361 - H LEU 365 1.80 10 0.24 0.60 + +++ *++ + + + VdW O ALA 363 - CZ ARG 366 2.90 6 0.12 0.53 * + +++ + VdW N GLN 364 - HG2 GLN 364 2.45 8 0.15 0.40 + +++ * + + + VdW C GLN 364 - HG2 GLU 367 2.50 10 0.21 0.51 +++ +*+ ++ ++ VdW O GLN 364 - C LEU 365 2.80 13 0.24 0.44 ++ ++ *+++++++ + VdW O GLN 364 - N GLU 367 2.75 11 0.24 0.64 + ++ +++++ +* + VdW O GLN 364 - CB GLU 367 2.90 9 0.23 0.64 ++ + +++ ++* VdW O GLN 364 - HB3 GLU 367 2.30 6 0.13 0.47 + + ++ +* VdW O GLN 364 - CG GLU 367 2.90 19 0.46 0.94 ++ +*+++++++++++++++ VdW O GLN 364 - HG2 GLU 367 2.30 16 0.47 0.91 ++++*+++ ++++ ++ ++ VdW O GLN 364 - CD GLU 367 2.80 6 0.13 0.61 + + +* + + VdW C LEU 365 - N GLU 367 2.95 13 0.29 0.62 +*+++ +++ + + +++ VdW C LEU 365 - H GLU 367 2.45 16 0.48 0.94 +*+++++++++ ++ +++ VdW O LEU 365 - N GLU 367 2.75 15 0.48 1.07 +*+++ +++ ++++ +++ VdW O LEU 365 - H GLU 367 1.80 10 0.34 0.95 *+ ++ +++ + + + VdW O LEU 365 - SG CYS 369 3.10 6 0.21 1.53 + + + * + + VdW N ARG 366 - HG2 ARG 366 2.45 6 0.10 0.43 * ++ +++ VdW N ARG 366 - CD ARG 366 3.05 8 0.22 0.72 +*+ + +++ + VdW N ARG 366 - HD3 ARG 366 2.45 6 0.18 0.74 ++ * +++ VdW H ARG 366 - CG ARG 366 2.55 8 0.16 0.40 + * +++ +++ VdW H ARG 366 - CD ARG 366 2.55 9 0.27 0.77 ++ + +++ + * + VdW H ARG 366 - HD3 ARG 366 1.95 8 0.26 0.88 +++ + +*+ + VdW CA ARG 366 - SG CYS 369 3.40 8 0.18 0.71 + + * ++ + + + VdW HA ARG 366 - SG CYS 369 2.80 10 0.32 1.13 + + + *+++ + + + VdW O ARG 366 - CD ARG 370 2.90 8 0.21 0.75 ++ ++ +++ * VdW O ARG 366 - HD2 ARG 370 2.30 9 0.20 0.73 ++ + +* ++ + + VdW CB GLU 367 - H LEU 368 2.55 6 0.12 0.40 + * + + ++ VdW CG GLU 367 - N LEU 368 3.05 9 0.17 0.45 + + + + ++ ++* VdW CG GLU 367 - H LEU 368 2.55 14 0.31 0.76 +++ + + + ++++* ++ + VdW HG3 GLU 367 - H LEU 368 1.95 9 0.24 0.55 + + * + ++++ + VdW HG3 GLU 367 - CD2 LEU 368 2.60 6 0.12 0.54 + + + + *+ VdW CD GLU 367 - CD2 LEU 368 3.10 6 0.13 0.52 ++* + ++ VdW C GLU 367 - HE21 GLN 371 2.45 6 0.11 0.34 * ++ +++ VdW O GLU 367 - CD ARG 370 2.90 12 0.35 0.90 + *+ +++ + ++ +++ VdW O GLU 367 - HD3 ARG 370 2.30 6 0.13 0.62 + *+ ++ + VdW O GLU 367 - NE ARG 370 2.75 14 0.45 0.94 + ++++ + ++ +* ++++ VdW O GLU 367 - CZ ARG 370 2.90 7 0.13 0.57 + + * + +++ VdW O GLU 367 - NE2 GLN 371 2.75 6 0.14 0.37 + *+ + + + VdW CA LEU 368 - CD1 LEU 368 3.00 6 0.11 0.27 * +++ + + VdW HA LEU 368 - NE2 GLN 371 2.45 13 0.29 0.69 ++++ ++ + *+ ++ ++ VdW H CYS 369 - SG CYS 369 2.75 9 0.15 0.52 ++ * + + + ++ + VdW CA CYS 369 - CZ2 TRP 372 3.20 6 0.13 0.47 ++* + + + VdW CB CYS 369 - H ARG 370 2.55 8 0.16 0.40 + + + + + + *+ VdW CB CYS 369 - CZ2 TRP 372 3.20 14 0.28 0.63 ++*++ +++++ ++ + + VdW CB CYS 369 - CH2 TRP 372 3.20 9 0.18 0.58 + ++ + ++ + *+ VdW HB2 CYS 369 - H ARG 370 1.95 7 0.15 0.52 + + * + ++ + VdW HB2 CYS 369 - CH2 TRP 372 2.60 6 0.15 0.69 + + * + ++ VdW HB3 CYS 369 - CZ2 TRP 372 2.60 10 0.23 0.64 +++ + ++ +*++ VdW SG CYS 369 - N ARG 370 3.25 8 0.34 1.11 +* + ++ +++ VdW SG CYS 369 - H ARG 370 2.75 9 0.42 1.36 + +* + ++ +++ VdW SG CYS 369 - CH2 TRP 372 3.40 6 0.16 1.14 ++ + + *+ VdW SG CYS 369 - HB2 LEU 387 2.80 6 0.15 1.06 + + + +* + VdW C CYS 369 - N GLN 371 2.95 16 0.30 0.43 ++ ++ ++++++ *+++ ++ VdW C CYS 369 - H GLN 371 2.45 12 0.23 0.60 + ++ + ++ * ++++ + VdW C CYS 369 - CD2 TRP 372 3.10 6 0.12 0.32 +*+ + ++ VdW C CYS 369 - CE3 TRP 372 3.10 20 0.34 0.59 ++++++++++++*+++++++ VdW C CYS 369 - CZ3 TRP 372 3.10 14 0.35 0.67 + ++++ + +*++ + +++ VdW C CYS 369 - CH2 TRP 372 3.10 6 0.15 0.47 + + * + + + VdW O CYS 369 - C ARG 370 2.80 19 0.32 0.44 +++++++++++ ++++++*+ VdW O CYS 369 - N GLN 371 2.75 20 0.52 0.88 ++++++++++++++++++*+ VdW O CYS 369 - N TRP 372 2.75 13 0.24 0.52 ++ + + ++ ++*+++ + VdW O CYS 369 - CD2 TRP 372 2.90 19 0.56 0.89 ++*+++++++++++++++ + VdW O CYS 369 - CE3 TRP 372 2.90 19 0.70 1.13 +++++++++++*++++++ + VdW O CYS 369 - CZ3 TRP 372 2.90 8 0.17 0.68 + + ++ + +* + VdW N ARG 370 - CD ARG 370 3.05 9 0.23 0.69 + + ++*+++ + VdW N ARG 370 - CZ3 TRP 372 3.05 17 0.33 0.68 ++++++++ ++ +++++ *+ VdW CA ARG 370 - CZ3 TRP 372 3.20 17 0.44 0.76 +++++ *++++ +++++ ++ VdW CA ARG 370 - HZ3 TRP 372 2.60 14 0.23 0.41 + + +++++ +++++ +* VdW CA ARG 370 - HG LEU 384 2.60 7 0.15 0.63 +++*+ ++ VdW HA ARG 370 - CZ3 TRP 372 2.60 16 0.48 0.96 +++++ *++++ +++++ + VdW HA ARG 370 - HZ3 TRP 372 2.00 18 0.52 0.85 +++++++++++ +++++ +* VdW HA ARG 370 - HD13 LEU 384 2.00 6 0.14 0.90 + + + * ++ VdW CB ARG 370 - CG LEU 384 3.20 7 0.16 0.58 + ++ ++ *+ VdW CB ARG 370 - HG LEU 384 2.60 11 0.30 0.99 ++ *++++ ++ + + VdW HB2 ARG 370 - CB ARG 374 2.60 7 0.13 0.64 * + ++ + + + VdW HB2 ARG 370 - HB2 ARG 374 2.00 9 0.17 0.87 + +* + ++ +++ VdW HB2 ARG 370 - HG LEU 384 2.00 7 0.19 0.60 ++ * ++ + + VdW CG ARG 370 - HH12 ARG 370 2.55 11 0.21 0.47 ++ + ++ *+++++ VdW HG2 ARG 370 - HH12 ARG 370 1.95 6 0.09 0.53 + ++ ++ * VdW CD ARG 370 - N GLN 371 3.05 6 0.14 0.68 * ++ + + + VdW CD ARG 370 - H GLN 371 2.55 9 0.20 0.63 * + + ++ ++++ VdW HD3 ARG 370 - N GLN 371 2.45 11 0.25 0.71 *+ +++++ + ++ + VdW HD3 ARG 370 - H GLN 371 1.95 17 0.42 0.73 + ++ ++++++ ++++*+++ VdW C ARG 370 - N TRP 372 2.95 11 0.20 0.40 + +* + ++ + + +++ VdW C ARG 370 - H TRP 372 2.45 15 0.37 0.72 ++ ++*+++++ + + +++ VdW O ARG 370 - N TRP 372 2.75 9 0.21 0.68 +* + ++ + +++ VdW O ARG 370 - N ARG 374 2.75 10 0.17 0.45 ++ ++ +++*+ + VdW O ARG 370 - CD PRO 375 2.90 8 0.24 0.70 + + ++ + +*+ VdW O ARG 370 - HD2 PRO 375 2.30 14 0.41 0.97 + * ++++++++ ++++ VdW N TRP 372 - CE3 TRP 372 3.05 18 0.30 0.41 +++++ *+++++++++++ + VdW N TRP 372 - HE3 TRP 372 2.45 19 0.39 0.59 ++++ +++*+++++++++++ VdW H TRP 372 - CE3 TRP 372 2.55 17 0.43 0.65 ++ ++ *+++++++++++ + VdW H TRP 372 - HE3 TRP 372 1.95 19 0.42 0.81 + ++++++*+++++++++++ VdW CA TRP 372 - CE3 TRP 372 3.20 18 0.22 0.24 +++++ +++++++*++++ + VdW CA TRP 372 - HE3 TRP 372 2.60 19 0.26 0.29 +++++++++++++*++++ + VdW CE3 TRP 372 - C TRP 372 3.10 20 0.49 0.60 +++++++++++++++++*++ VdW CE3 TRP 372 - N LEU 373 3.05 20 0.65 0.83 ++*+++++++++++++++++ VdW CE3 TRP 372 - H LEU 373 2.55 8 0.17 0.44 * + + +++ ++ VdW CE3 TRP 372 - CB LEU 373 3.20 20 0.38 0.52 +++++*++++++++++++++ VdW CE3 TRP 372 - HB3 LEU 373 2.60 18 0.53 0.81 +*++++++++ ++++++ ++ VdW HE3 TRP 372 - C TRP 372 2.50 19 0.56 0.79 +++++++++++++++++* + VdW HE3 TRP 372 - N LEU 373 2.45 20 0.92 1.15 +++++++++++++++*++++ VdW HE3 TRP 372 - H LEU 373 1.95 18 0.54 0.82 ++*++++++++ +++++ ++ VdW CZ3 TRP 372 - CB LEU 373 3.20 20 0.53 0.79 +++++*++++++++++++++ VdW CZ3 TRP 372 - HB3 LEU 373 2.60 18 0.83 1.05 +++++++*++ ++++++ ++ VdW CZ3 TRP 372 - HD23 LEU 373 2.60 6 0.10 0.42 + +* + ++ VdW CZ2 TRP 372 - CD2 LEU 387 3.20 6 0.11 0.48 ++ + + +* VdW HZ3 TRP 372 - HB3 LEU 373 2.00 14 0.26 0.63 +++ +*+++ +++ + ++ VdW CH2 TRP 372 - HG LEU 387 2.60 9 0.19 0.59 ++ +++ ++ * + VdW CH2 TRP 372 - CD2 LEU 387 3.20 6 0.18 0.74 +* + + ++ VdW HH2 TRP 372 - CG LEU 387 2.60 9 0.26 0.89 + + ++ +* +++ VdW HH2 TRP 372 - HG LEU 387 2.00 11 0.31 0.88 ++ +++ *+ +++ + VdW HH2 TRP 372 - CD1 LEU 387 2.60 6 0.15 0.60 +* + ++ + VdW HH2 TRP 372 - CD2 LEU 387 2.60 7 0.14 0.70 + +* + + ++ VdW H LEU 373 - H ARG 374 1.90 17 0.27 0.42 + ++++++++++* +++ ++ VdW CG LEU 373 - O LEU 373 2.90 8 0.16 0.40 + +* + +++ + VdW HG LEU 373 - C LEU 373 2.50 7 0.13 0.37 ++ + *+ + + VdW HG LEU 373 - O LEU 373 2.30 8 0.20 0.70 + + +* + + + + VdW HG LEU 373 - CD1 LEU 384 2.60 9 0.17 0.51 + ++ + + ++* + VdW CD2 LEU 373 - HB3 LEU 384 2.60 9 0.15 0.41 +++ + + + * + + VdW CD2 LEU 373 - CD1 LEU 387 3.20 7 0.20 0.67 ++ * +++ + VdW CD2 LEU 373 - CD2 LEU 387 3.20 6 0.13 0.52 + + + + *+ VdW HD23 LEU 373 - HB3 LEU 384 2.00 6 0.14 0.64 + + + ++ * VdW O LEU 373 - CG2 VAL 377 2.90 13 0.31 0.70 ++ + + ++++++*+ + VdW O LEU 373 - HG21 VAL 377 2.30 6 0.12 0.51 + +++ + * VdW O LEU 373 - HG23 VAL 377 2.30 8 0.15 0.72 + ++ + + + *+ VdW N ARG 374 - HD2 PRO 375 2.45 8 0.14 0.40 +++ +++ +* VdW H ARG 374 - HD2 PRO 375 1.95 10 0.25 0.70 ++ ++++ + + +* VdW CA ARG 374 - CD1 LEU 384 3.20 7 0.17 0.46 + * + + ++ + VdW HA ARG 374 - CE MET 383 2.60 7 0.18 0.48 + + * + + + + VdW CB ARG 374 - CD PRO 375 3.20 16 0.36 0.64 + ++++ ++++++++*++ VdW CB ARG 374 - HD3 PRO 375 2.60 9 0.19 0.43 + + ++ + +*++ VdW CB ARG 374 - CD1 LEU 384 3.20 7 0.18 0.50 ++*+ ++ + VdW HB2 ARG 374 - CG LEU 384 2.60 6 0.10 0.40 + + + * + + VdW HB2 ARG 374 - CD1 LEU 384 2.60 9 0.25 0.81 +++*+ ++ + + VdW HB3 ARG 374 - CD PRO 375 2.60 12 0.32 0.79 ++ +++ ++ + +*++ VdW HB3 ARG 374 - HD3 PRO 375 2.00 14 0.26 0.62 ++ +++ + +++* ++++ VdW CG ARG 374 - HD3 PRO 375 2.60 8 0.15 0.42 + + ++ *++ + VdW CG ARG 374 - HA LYS 380 2.60 10 0.27 0.73 + ++ + ++ +*+ + VdW CG ARG 374 - O LYS 380 2.90 7 0.11 0.33 + + ++ +* + VdW HG2 ARG 374 - N PRO 375 2.45 6 0.08 0.30 * ++ ++ + VdW HG3 ARG 374 - CA LYS 380 2.60 10 0.25 0.54 + *+ + ++ +++ + VdW HG3 ARG 374 - HA LYS 380 2.00 9 0.26 0.77 + * ++ ++++ + VdW O ARG 374 - N ARG 378 2.75 8 0.20 0.73 + + +* ++ + + VdW O ARG 374 - O ARG 378 2.60 7 0.22 0.83 ++++ + * + VdW CG2 VAL 377 - N ARG 378 3.05 14 0.26 0.53 ++ ++ +++*++ ++++ VdW CG2 VAL 377 - SD MET 383 3.40 9 0.19 0.61 + ++ +* + +++ VdW CG2 VAL 377 - CE MET 383 3.20 12 0.30 0.70 ++ + + +*++ ++++ VdW CG2 VAL 377 - HE1 MET 383 2.60 7 0.11 0.47 +* + +++ + VdW O VAL 377 - CG ARG 378 2.90 10 0.17 0.38 + + +++ +++ +* VdW CB ARG 378 - H SER 379 2.55 20 0.33 0.39 ++*+++++++++++++++++ VdW HB3 ARG 378 - N SER 379 2.45 16 0.25 0.36 +++++ +++++ + +++*+ VdW HB3 ARG 378 - H SER 379 1.95 18 0.36 0.52 +++++++++++ + +++*++ VdW O ARG 378 - O SER 379 2.60 7 0.13 0.60 + +*+ ++ + VdW N SER 379 - CE MET 383 3.05 8 0.12 0.32 + + ++ ++* + VdW O SER 379 - CE MET 383 2.90 15 0.28 0.60 +*+++++ ++ +++++ + VdW HB2 LYS 380 - CE LYS 380 2.60 6 0.14 0.65 + + + + *+ VdW O LYS 380 - CD2 LEU 384 2.90 11 0.29 0.78 + +++ + ++ + + *+ VdW HA GLU 381 - CD2 LEU 384 2.60 8 0.17 0.64 +++* ++ + + VdW C GLU 381 - H MET 383 2.45 6 0.11 0.53 ++*+ ++ VdW CG MET 383 - H LEU 384 2.55 9 0.13 0.43 +++* + + + ++ VdW HG2 MET 383 - H LEU 384 1.95 9 0.22 0.73 +++* + + + ++ VdW C MET 383 - N GLU 385 2.95 8 0.15 0.41 ++ + + * + ++ VdW C MET 383 - H GLU 385 2.45 7 0.15 0.46 + + + * + ++ VdW O MET 383 - C LEU 384 2.80 7 0.11 0.37 + * + + + + + VdW O MET 383 - N GLU 385 2.75 9 0.19 0.65 ++ * + + + + ++ VdW O MET 383 - CD1 LEU 386 2.90 16 0.46 0.92 +++++++++ ++++ +*+ VdW O MET 383 - HD11 LEU 386 2.30 8 0.20 0.91 ++ ++ + ++ * VdW O MET 383 - HD13 LEU 386 2.30 7 0.18 0.59 + + + + + +* VdW O MET 383 - CD2 LEU 386 2.90 6 0.11 0.52 + + + * ++ VdW N LEU 384 - CD2 LEU 384 3.05 13 0.37 0.92 + +++ + + + ++*+++ VdW H LEU 384 - CG LEU 384 2.55 7 0.14 0.31 ++ + *+ + + VdW H LEU 384 - CD2 LEU 384 2.55 14 0.33 1.18 + +++ + +++ +++*+ + VdW H LEU 384 - HD21 LEU 384 1.95 6 0.15 0.78 + + ++ * + VdW CA LEU 384 - CD1 LEU 387 3.20 6 0.13 0.62 ++ + + *+ VdW HA LEU 384 - CD1 LEU 387 2.60 6 0.20 0.93 ++ + + *+ VdW HA LEU 384 - CD2 LEU 387 2.60 6 0.15 0.73 *+ + + ++ VdW C LEU 384 - N LEU 386 2.95 18 0.34 0.57 ++++++++++*+ +++++ + VdW C LEU 384 - H LEU 386 2.45 17 0.43 0.80 +++++ ++++*+ +++++ + VdW O LEU 384 - C GLU 385 2.80 8 0.16 0.32 +++ +++* + VdW O LEU 384 - N LEU 386 2.75 17 0.44 0.94 ++++ +++++*+ +++++ + VdW O LEU 384 - N LEU 387 2.75 14 0.29 0.62 +++ +++*++ ++ + + + VdW N LEU 386 - CD1 LEU 386 3.05 8 0.23 0.71 + + + + + + * + VdW H LEU 386 - CD1 LEU 386 2.55 11 0.31 0.86 + + ++ + + + * + ++ VdW H LEU 386 - CD2 LEU 386 2.55 6 0.11 0.47 ++ + + * + VdW CD2 LEU 386 - N LEU 387 3.05 7 0.15 0.61 ++ + + * ++ VdW C LEU 386 - N VAL 388 2.95 6 0.14 0.56 *++ + + + VdW C LEU 386 - H VAL 388 2.45 6 0.18 0.72 ++ + * + + VdW O LEU 386 - C LEU 387 2.80 9 0.15 0.47 *++ + + + + + + VdW O LEU 386 - N VAL 388 2.75 6 0.23 1.12 *++ + + + VdW H VAL 388 - CG1 VAL 388 2.55 7 0.11 0.44 + * ++ + + + VdW CB VAL 388 - H LEU 389 2.55 11 0.20 0.42 + ++ +++ ++ ++* VdW CG2 VAL 388 - C VAL 388 2.90 6 0.12 0.32 + * + + + + VdW CG2 VAL 388 - N LEU 389 3.05 12 0.40 1.00 ++++ *++ + ++ ++ VdW CG2 VAL 388 - H LEU 389 2.55 10 0.44 1.15 ++ + *++ + ++ + VdW HG21 VAL 388 - H LEU 389 1.95 6 0.19 0.80 ++ *+ + + VdW HG22 VAL 388 - N LEU 389 2.45 8 0.19 0.82 ++ + * + + ++ VdW C VAL 388 - N GLU 390 2.95 11 0.19 0.46 + + ++++* + + ++ VdW C VAL 388 - H GLU 390 2.45 9 0.22 0.78 + + +++ * + + + VdW O VAL 388 - C LEU 389 2.80 8 0.16 0.43 + ++ +* ++ + VdW O VAL 388 - N GLU 390 2.75 13 0.52 1.06 + *++++++ + ++++ VdW O VAL 388 - H GLU 390 1.80 12 0.30 0.69 + *++++++ + +++ VdW CB LEU 389 - HB3 PRO 412 2.60 7 0.18 0.68 *+ ++ +++ VdW CG LEU 389 - O LEU 389 2.90 11 0.29 0.69 + *+ +++ + ++++ VdW HG LEU 389 - O LEU 389 2.30 9 0.24 0.75 + ++ ++ + *++ VdW CD1 LEU 389 - CA PRO 412 3.20 8 0.16 0.57 + + +* + + ++ VdW CD1 LEU 389 - HA PRO 412 2.60 6 0.20 0.89 + ++ + *+ VdW HD11 LEU 389 - CA PRO 412 2.60 6 0.09 0.37 + + *+ ++ VdW CD2 LEU 389 - HD3 PRO 412 2.60 8 0.22 0.63 ++ + + +* + + VdW CG GLN 391 - C GLN 391 2.90 13 0.17 0.24 ++++ +++ +* +++ + VdW HG3 GLN 391 - C GLN 391 2.50 7 0.13 0.51 * + ++ +++ VdW C GLN 391 - O PHE 392 2.80 6 0.12 0.45 + + + + *+ VdW O GLN 391 - C PHE 392 2.80 8 0.21 0.46 + + * + ++ ++ VdW O GLN 391 - O PHE 392 2.60 6 0.28 1.07 + + + + *+ VdW CG PHE 392 - H LEU 393 2.55 7 0.19 0.80 + + + + + +* VdW C PHE 392 - N GLY 394 2.95 12 0.27 0.50 ++ + ++ +++* +++ VdW C PHE 392 - H GLY 394 2.45 15 0.37 0.64 ++ + +++++*+++++ + VdW O PHE 392 - C LEU 393 2.80 11 0.18 0.42 +* + ++ +++ +++ VdW O PHE 392 - N GLY 394 2.75 14 0.43 0.87 ++ + + ++++++* +++ VdW O PHE 392 - N ALA 395 2.75 11 0.24 0.83 +* + ++ +++ +++ VdW O LEU 393 - NE2 GLN 401 2.75 11 0.26 0.79 + +* +++ ++ +++ VdW O GLY 394 - N LEU 396 2.75 7 0.17 0.94 +++ +++ * VdW HA LEU 396 - CD PRO 397 2.60 15 0.21 0.31 + ++ * ++++++ +++++ VdW CB LEU 396 - HE21 GLN 401 2.55 7 0.17 0.73 * + + + + ++ VdW HB3 LEU 396 - CG GLN 401 2.60 7 0.19 0.90 * + + + + ++ VdW HB3 LEU 396 - HG2 GLN 401 2.00 7 0.16 0.58 * + + + + ++ VdW HB3 LEU 396 - NE2 GLN 401 2.45 7 0.18 0.99 * + + + ++ + VdW HB3 LEU 396 - HE21 GLN 401 1.95 6 0.20 0.73 + + + * ++ VdW CG LEU 396 - HG2 GLN 401 2.60 6 0.18 0.89 + * + + ++ VdW CD1 LEU 396 - HD2 PRO 397 2.60 11 0.32 0.94 + ++ ++ *+ +++ + VdW CD1 LEU 396 - CD1 ILE 400 3.20 9 0.16 0.48 + + ++ + +* ++ VdW HG2 PRO 397 - CG1 ILE 400 2.60 7 0.18 0.63 + ++ + + + * VdW HG2 PRO 397 - HG12 ILE 400 2.00 6 0.10 0.41 ++ + * + + VdW C PRO 397 - H GLU 399 2.45 7 0.14 0.34 *+ + ++ + + VdW O PRO 397 - CB GLN 401 2.90 10 0.21 0.52 + ++ + *+++ + + VdW O PRO 397 - HB2 GLN 401 2.30 11 0.21 0.55 ++++* + +++ + + VdW N ILE 400 - CG1 ILE 400 2.85 6 0.12 0.24 + +* +++ VdW H ILE 400 - CG1 ILE 400 2.55 7 0.13 0.28 *++ ++ ++ VdW OE1 GLN 401 - NE2 GLN 405 2.75 6 0.11 0.55 + + + + + * VdW NE2 GLN 401 - NE2 GLN 405 2.90 6 0.11 0.46 + + ++ *+ VdW O GLN 401 - CG1 VAL 404 2.90 9 0.24 0.72 + ++ + +++ +* VdW O GLN 401 - HG11 VAL 404 2.30 6 0.16 0.72 +* + + + + VdW O GLN 401 - HG12 VAL 404 2.30 6 0.16 0.69 ++ + + * + VdW O GLN 401 - HG13 VAL 404 2.30 6 0.10 0.52 * + ++ + + VdW N VAL 404 - CG1 VAL 404 2.85 6 0.13 0.24 + ++ + *+ VdW H VAL 404 - CG1 VAL 404 2.55 13 0.19 0.37 +++++++* + + + ++ VdW CG2 VAL 404 - C VAL 404 2.90 10 0.19 0.33 ++ +++ + + + *+ VdW CG2 VAL 404 - N GLN 405 3.05 7 0.14 0.54 + * + + + ++ VdW C GLN 405 - H GLN 407 2.45 10 0.22 0.39 +++ ++ + *+ ++ VdW CB PRO 409 - H GLY 410 2.55 11 0.19 0.32 +++ ++ + +++ *+ VdW CB PRO 409 - HB3 GLU 414 2.60 8 0.17 0.47 + + + + ++ *+ VdW HG2 PRO 409 - H GLY 410 1.95 8 0.19 0.29 + +++ * + + + VdW CB SER 411 - CD PRO 412 3.20 6 0.11 0.39 * + + + ++ VdW CB SER 411 - HD2 PRO 412 2.60 7 0.14 0.49 * + + + + ++ VdW C SER 411 - H GLU 413 2.45 8 0.14 0.37 + ++ + + *+ + VdW O GLU 414 - HG LEU 418 2.30 6 0.13 0.60 *+ + + + + VdW HA ALA 415 - CG LEU 418 2.60 7 0.13 0.57 ++ + + + *+ VdW HA ALA 415 - HG LEU 418 2.00 6 0.14 0.64 + * + + ++ VdW C ALA 415 - N ALA 417 2.95 13 0.27 0.60 ++ ++ +++ ++ * +++ VdW C ALA 415 - H ALA 417 2.45 13 0.38 0.94 ++ ++ +++ ++ * +++ VdW O ALA 415 - C ALA 416 2.80 6 0.13 0.35 + +* + + + VdW O ALA 415 - N ALA 417 2.75 13 0.40 1.05 ++ ++ +++ ++ * +++ VdW O ALA 415 - N LEU 418 2.75 13 0.28 0.58 ++ ++ *++ ++ + +++ VdW O LEU 418 - N GLY 421 2.75 12 0.25 0.62 ++ ++ + + ++ * +++ VdW O LEU 418 - H GLY 421 1.80 8 0.16 0.63 ++ + + + * ++ VdW N VAL 419 - CG1 VAL 419 2.85 6 0.12 0.24 + + + * ++ VdW H VAL 419 - CG1 VAL 419 2.55 14 0.23 0.43 +++++ + *+ + ++ +++ VdW CG2 VAL 419 - C VAL 419 2.90 9 0.18 0.33 ++++ + + * ++ Angle PSI PRO 40 -35.00 -19.00 13 7.12 18.54 + ++++++*+++ ++ Angle PHI GLU 41 -75.00 -55.00 12 5.60 11.04 + + +++++ + +* + + Angle PSI GLU 41 -54.00 -28.00 12 5.41 15.38 ++ ++ +++ +* ++ + Angle PHI ALA 42 -75.00 -55.00 19 10.80 20.72 ++++++++* ++++++++++ Angle PSI ALA 43 -49.00 -29.00 19 14.24 26.09 +++ ++++*+++++++++++ Angle PHI ARG 44 -71.00 -51.00 12 11.15 32.71 + *+ + + + + +++++ Angle PSI ARG 44 -54.00 -34.00 12 16.19 39.14 +++ + *++ + +++ + Angle PHI LEU 45 -72.00 -52.00 16 10.60 28.28 *++++++++ ++ ++++ + Angle PSI LEU 45 -52.00 -32.00 6 3.07 14.04 + * ++ + + Angle PSI ARG 46 -48.00 -28.00 18 9.51 17.70 +++++++++++++ +++*+ Angle PSI PHE 47 -49.00 -29.00 19 19.11 29.06 ++*++ ++++++++++++++ Angle PHI ARG 48 -91.00 -61.00 8 3.53 13.02 ++ ++ +* + + Angle PSI CYS 49 -51.00 -5.00 18 29.86 54.18 *+++ ++++++ ++++++++ Angle PHI PHE 50 -112.00 -54.00 7 5.57 34.84 + + + + + *+ Angle PSI PHE 50 120.00 140.00 20 34.82 74.58 +++++++++++++*++++++ Angle PHI HIS 51 -128.00 -90.00 9 10.40 35.33 ++ *+ + ++ + + Angle PSI HIS 51 99.00 143.00 15 14.86 53.50 ++++++ ++ ++ + +++ * Angle PHI TYR 52 -106.00 -68.00 17 35.41 66.98 + ++ ++++++ +++++*++ Angle PSI TYR 52 120.00 140.00 13 12.44 46.47 + + *++ ++ ++++++ Angle PHI GLU 54 -70.00 -50.00 13 13.36 81.61 +++ + +* +++++++ Angle PSI GLU 54 -38.00 -16.00 6 8.21 47.90 + + + + *+ Angle PHI ALA 55 -80.00 -58.00 19 29.25 54.86 ++++++++*++++++++ ++ Angle PSI ALA 55 -50.00 -30.00 8 9.87 52.08 + + ++ *+ ++ Angle PHI THR 56 -112.00 -82.00 7 6.36 38.06 ++ +* + ++ Angle PSI THR 56 -15.00 15.00 18 42.47 119.27 ++++++++ ++*+++++++ Angle PSI PRO 58 -41.00 -31.00 20 35.22 61.21 ++++++++++++++*+++++ Angle PHI GLN 59 -77.00 -57.00 20 28.43 47.48 +++++++++++++++++*++ Angle PSI GLN 59 -46.00 -26.00 15 13.23 37.43 + *++ +++ + ++ +++++ Angle PHI GLU 60 -75.00 -55.00 16 18.49 35.56 ++ +++++++++ + *++ + Angle PSI GLU 60 -54.00 -34.00 12 9.79 33.21 ++ +++ + ++++ +* Angle PHI ALA 61 -72.00 -52.00 14 17.57 46.88 +++ +++++* +++ + + Angle PSI ALA 61 -53.00 -33.00 17 16.68 42.88 + +++++++*++ ++++++ Angle PHI LEU 62 -71.00 -51.00 12 10.11 25.24 ++ ++ ++++ + *++ Angle PSI LEU 62 -53.00 -33.00 13 15.26 49.24 +++ + ++++*+ ++ + Angle PHI ALA 63 -76.00 -56.00 18 24.76 51.36 +++++++++++ +*++++ + Angle PSI ALA 63 -48.00 -28.00 11 8.32 30.86 ++ + + + +++ *+ + Angle PHI GLN 64 -78.00 -58.00 16 21.97 45.51 +++++ *++ ++++ ++++ Angle PSI GLN 64 -51.00 -31.00 20 42.96 60.15 +++++++++++++++++++* Angle PHI LEU 65 -71.00 -51.00 20 34.66 69.20 +++++++++++++++++++* Angle PSI LEU 65 -52.00 -32.00 19 25.77 46.56 +++*+++++ ++++++++++ Angle PHI ARG 66 -76.00 -56.00 16 26.13 74.54 +++++ ++ +++++*++ + Angle PSI ARG 66 -50.00 -30.00 17 38.87 103.08 +++ + ++* ++++++++++ Angle PHI GLU 67 -79.00 -59.00 15 28.70 73.22 +++ * +++++ ++ ++++ Angle PSI GLU 67 -50.00 -30.00 13 12.49 39.13 ++++++* + ++++ + Angle PHI LEU 68 -74.00 -54.00 10 9.32 39.27 + ++ ++ +*++ + Angle PSI LEU 68 -52.00 -32.00 20 40.69 82.55 +++++*++++++++++++++ Angle PHI CYS 69 -76.00 -56.00 16 31.19 78.73 + + +* ++++++++++++ Angle PSI CYS 69 -50.00 -30.00 20 40.27 54.15 +*++++++++++++++++++ Angle PHI ARG 70 -73.00 -53.00 20 34.10 62.08 +++++++++++++++*++++ Angle PSI ARG 70 -51.00 -31.00 9 11.16 59.51 ++ + + +* + ++ Angle PHI GLN 71 -76.00 -56.00 10 12.93 75.28 ++ + + + * ++++ Angle PSI GLN 71 -47.00 -17.00 20 45.51 74.41 +++++++++*++++++++++ Angle PHI GLU 76 -78.00 -58.00 6 6.35 41.18 + + + + * + Angle PSI GLU 76 -40.00 -6.00 19 28.15 72.63 ++++++++ ++*++++++++ Angle PHI VAL 77 -118.00 -86.00 10 6.33 22.90 + * ++++ ++++ Angle PSI VAL 77 -29.00 -5.00 10 9.10 48.10 +++ + +++ * ++ Angle PHI SER 79 -113.00 -71.00 12 7.89 23.58 ++ + + + *++ ++++ Angle PSI SER 79 155.00 175.00 17 18.61 48.92 +++++*++++ + + +++++ Angle PHI LYS 80 -69.00 -49.00 15 14.08 38.99 ++ ++ +++++ ++* ++ + Angle PSI LYS 80 -48.00 -28.00 15 12.53 30.67 + ++ + *++++++ ++++ Angle PHI GLU 81 -73.00 -53.00 15 26.84 47.99 +++ + + * +++++++++ Angle PSI GLU 81 -50.00 -30.00 9 5.96 20.83 + + +* +++ + + Angle PHI GLN 82 -76.00 -56.00 8 7.84 26.88 + + +++ + +* Angle PSI GLN 82 -48.00 -28.00 12 12.74 32.29 +++ + + +++ +*+ + Angle PHI MET 83 -75.00 -55.00 19 17.81 29.00 ++*++ ++++++++++++++ Angle PSI MET 83 -52.00 -32.00 9 8.89 31.75 + + +++ + ++ * Angle PHI LEU 84 -73.00 -53.00 12 9.55 31.90 ++++ ++ * + ++ ++ Angle PSI LEU 84 -52.00 -32.00 10 13.09 70.13 *+ + ++ + +++ + Angle PHI GLU 85 -75.00 -55.00 7 8.18 51.61 *+ ++ + ++ Angle PSI GLU 85 -54.00 -34.00 15 14.45 33.81 ++*+ +++ ++ + +++++ Angle PHI LEU 86 -74.00 -54.00 20 22.46 39.72 ++*+++++++++++++++++ Angle PSI LEU 86 -51.00 -31.00 19 20.56 36.08 ++ ++++++++++++++++* Angle PHI LEU 87 -77.00 -57.00 7 4.61 17.36 ++* + + ++ Angle PSI LEU 87 -51.00 -31.00 20 32.68 52.29 +++++++++++++*++++++ Angle PHI VAL 88 -78.00 -58.00 11 10.92 28.64 ++++ * + ++ + ++ Angle PSI VAL 88 -55.00 -35.00 19 37.28 67.07 *+++++++++++ +++++++ Angle PHI LEU 89 -70.00 -50.00 18 53.02 93.55 ++++++++++++ +*+++ + Angle PSI LEU 89 -57.00 -37.00 17 45.23 70.20 +++*+ +++ ++++ +++++ Angle PHI GLU 90 -73.00 -53.00 20 51.07 81.38 +++++++++++++*++++++ Angle PSI GLU 90 -52.00 -32.00 17 25.40 58.51 +++++++++ +++* ++++ Angle PHI GLN 91 -74.00 -54.00 20 32.55 59.07 ++++++++*+++++++++++ Angle PSI GLN 91 -46.00 -26.00 19 44.23 117.61 ++++++++*+++ +++++++ Angle PHI PHE 92 -74.00 -54.00 20 45.33 82.98 +++++++++++++*++++++ Angle PSI PHE 92 -55.00 -35.00 15 53.81 131.65 ++ ++ +++ ++++ *+++ Angle PHI LEU 93 -72.00 -52.00 18 61.16 140.65 +++++ ++++++ ++*++++ Angle PSI LEU 93 -49.00 -29.00 14 19.70 64.83 ++ *+++ +++ ++ + ++ Angle PHI GLY 94 -80.00 -56.00 15 25.68 60.49 +++++ ++ ++*++ +++ Angle PSI GLY 94 -46.00 -8.00 16 21.34 41.65 ++ ++ +++++++ *++++ Angle PSI PRO 97 132.20 154.90 7 5.96 29.89 + + + * + ++ Angle PSI PRO 98 -46.00 -28.00 19 33.08 56.89 ++ ++++++++++*++++++ Angle PHI GLU 99 -76.00 -56.00 17 18.09 35.55 +++++++++ +++*++++ Angle PSI GLU 99 -47.00 -27.00 6 4.07 18.14 + + + + * + Angle PHI ILE 100 -73.00 -53.00 20 28.34 51.99 +++++++++++++++++++* Angle PSI ILE 100 -52.00 -32.00 7 4.74 19.23 + *++ ++ + Angle PHI GLN 101 -71.00 -51.00 15 15.37 49.79 ++ ++ +++*+++++++ Angle PSI GLN 101 -51.00 -31.00 17 14.57 41.36 +++++ ++++++ *+++ ++ Angle PHI ALA 102 -72.00 -52.00 10 7.32 33.09 + ++++ ++* + + Angle PSI ALA 102 -51.00 -31.00 18 13.04 42.29 ++++++++++++ ++*+++ Angle PHI ARG 103 -73.00 -53.00 12 8.98 26.57 +++++ ++ + + *++ Angle PSI ARG 103 -53.00 -33.00 10 6.56 20.23 ++ ++ * ++ + + + Angle PHI VAL 104 -77.00 -57.00 17 11.80 24.50 ++ ++*++++++ ++++++ Angle PSI VAL 104 -54.00 -34.00 14 8.62 20.68 ++*+++++ + + ++++ Angle PHI GLN 105 -72.00 -52.00 10 7.31 19.56 +++ ++ + + +*+ Angle PSI GLY 106 -40.00 -6.00 11 9.61 37.73 + ++ ++ ++*+++ Angle PHI GLY 110 58.00 92.00 20 22.73 60.39 +++++++++++++*++++++ Angle PSI GLY 110 -10.00 46.00 6 4.58 26.66 + ++ * + + Angle PSI PRO 112 -44.00 -28.00 20 32.46 56.70 +++++++++*++++++++++ Angle PHI GLU 113 -75.00 -55.00 16 26.24 56.71 +++ +++++ +*++++ ++ Angle PSI GLU 113 -51.00 -31.00 17 21.97 40.64 +++++ ++*+++++++ + + Angle PHI GLU 114 -74.00 -54.00 17 19.00 38.94 ++ ++++++++++*+++ + Angle PSI GLU 114 -54.00 -34.00 15 9.96 35.44 + ++++++ + +*++ +++ Angle PHI ALA 115 -76.00 -56.00 17 16.73 35.43 ++ +++*+++++ ++++ ++ Angle PSI ALA 115 -49.00 -29.00 18 20.15 35.30 +++++++ ++++++++*++ Angle PHI ALA 116 -73.00 -53.00 15 14.73 34.50 ++++++++++* ++ ++ Angle PSI ALA 116 -50.00 -30.00 15 11.02 20.51 +++ + *+++ +++++ ++ Angle PHI ALA 117 -74.00 -54.00 19 24.35 53.91 +++++++++* +++++++++ Angle PSI LEU 118 -48.00 -28.00 10 4.58 13.37 ++++ + ++ * + + Angle PHI VAL 119 -74.00 -54.00 11 6.44 18.20 + ++ + ++ +++ +* Angle PSI VAL 119 -53.00 -33.00 7 3.78 10.61 + + + + +* + Angle PHI ASP 120 -69.00 -49.00 12 7.26 17.69 +++ ++ + +* ++ ++ Angle PSI ASP 120 -52.00 -32.00 7 3.85 12.60 + * ++ + ++ Angle PHI GLY 121 -84.00 -58.00 16 9.26 19.15 +* ++++ ++++ ++++++ Angle PSI PRO 340 -35.00 -19.00 10 5.06 12.84 + + ++ *++ +++ Angle PHI ARG 344 -71.00 -51.00 9 6.61 31.73 +*+++ ++ + + Angle PSI ARG 344 -54.00 -34.00 15 15.38 35.01 + +++* +++ +++ ++++ Angle PHI LEU 345 -72.00 -52.00 9 7.39 29.63 + ++ ++ ++*+ Angle PSI LEU 345 -52.00 -32.00 11 10.02 41.05 +++ + +++ + *+ + Angle PHI ARG 346 -76.00 -56.00 6 5.45 29.62 + + + + +* Angle PSI ARG 346 -48.00 -28.00 12 8.43 21.25 ++++*+ +++++ + Angle PHI PHE 347 -74.00 -54.00 8 6.70 36.92 + + + ++* ++ Angle PSI PHE 347 -49.00 -29.00 11 10.72 45.62 + ++++ + ++*++ Angle PSI ARG 348 -34.00 -4.00 12 7.65 20.17 +* ++ ++ + + ++++ Angle PHI CYS 349 -106.00 -66.00 10 5.30 15.72 +*++ + ++++ + Angle PSI CYS 349 -51.00 -5.00 19 25.78 52.07 ++ ++*++++++++++++++ Angle PSI PHE 350 120.00 140.00 18 22.53 39.73 ++ +++++++++ ++++*++ Angle PHI HIS 351 -128.00 -90.00 20 29.08 37.32 ++++++++++++*+++++++ Angle PSI HIS 351 99.00 143.00 11 9.99 37.14 + + ++ +++ *+++ Angle PSI TYR 352 120.00 140.00 14 14.20 46.36 +++++++* ++++ ++ Angle PHI ALA 355 -80.00 -58.00 16 16.45 45.83 +++++++ *++++ + +++ Angle PSI ALA 355 -50.00 -30.00 18 18.95 108.94 +++++++ +*+++++++++ Angle PSI THR 356 -15.00 15.00 18 22.76 60.16 +++++++ ++++++++++* Angle PSI PRO 358 -41.00 -31.00 18 28.14 70.37 ++++++ *+++++ ++++++ Angle PHI GLN 359 -77.00 -57.00 17 20.49 80.70 ++++ ++* ++++++ ++++ Angle PSI GLN 359 -46.00 -26.00 15 18.68 44.50 ++ ++++++ *+ + + +++ Angle PHI GLU 360 -75.00 -55.00 20 35.46 65.80 +++++++++++++*++++++ Angle PSI GLU 360 -54.00 -34.00 6 4.05 17.74 + ++ + * + Angle PHI ALA 361 -72.00 -52.00 12 10.45 27.83 ++ +++++ +++ +* Angle PHI LEU 362 -71.00 -51.00 16 12.94 33.14 ++++ ++ ++ + +++++*+ Angle PSI LEU 362 -53.00 -33.00 6 3.74 19.47 + ++ ++ * Angle PHI ALA 363 -76.00 -56.00 17 13.54 39.07 +++++ +++ ++++++ *++ Angle PSI ALA 363 -48.00 -28.00 6 4.42 19.97 *+ + ++ + Angle PHI GLN 364 -78.00 -58.00 20 23.97 41.04 +++++++*++++++++++++ Angle PSI GLN 364 -51.00 -31.00 8 12.04 50.53 *+ +++++ + Angle PHI LEU 365 -71.00 -51.00 17 22.04 37.71 +++++ +++ *+++++++ + Angle PSI LEU 365 -52.00 -32.00 19 23.73 42.40 ++*+++++++++++++ +++ Angle PHI ARG 366 -76.00 -56.00 11 8.81 27.85 +*+ + ++ ++ +++ Angle PSI ARG 366 -50.00 -30.00 18 44.04 80.11 ++++++*++++ +++++++ Angle PHI GLU 367 -79.00 -59.00 18 21.73 45.02 + ++++*+++++++++ +++ Angle PSI GLU 367 -50.00 -30.00 17 28.55 76.24 +++*+ +++ ++++++++ + Angle PHI LEU 368 -74.00 -54.00 11 11.16 39.15 ++ +* +++ + +++ Angle PSI LEU 368 -52.00 -32.00 18 16.81 43.05 +++ ++++ +++*+++++++ Angle PHI CYS 369 -76.00 -56.00 9 7.96 51.45 *+ ++ + ++ + + Angle PSI CYS 369 -50.00 -30.00 19 36.78 75.60 ++++++++ +++++++++*+ Angle PHI ARG 370 -73.00 -53.00 20 26.93 66.65 ++++++++++++++++++*+ Angle PSI ARG 370 -51.00 -31.00 6 3.56 26.25 + * + ++ + Angle PSI GLN 371 -47.00 -17.00 19 23.56 72.58 ++*+++++++++++++ +++ Angle PHI GLU 376 -78.00 -58.00 15 14.78 40.08 ++++++++ + + ++*++ Angle PSI GLU 376 -40.00 -6.00 14 9.41 24.61 + ++++ +++ *+++ ++ Angle PHI VAL 377 -118.00 -86.00 18 11.73 21.27 ++++++ ++++++++++*+ Angle PSI VAL 377 -29.00 -5.00 20 22.28 34.76 ++*+++++++++++++++++ Angle PHI SER 379 -113.00 -71.00 13 14.10 40.30 + ++ ++ +*+ ++++ + Angle PHI LYS 380 -69.00 -49.00 20 23.98 48.81 +++++++*++++++++++++ Angle PSI LYS 380 -48.00 -28.00 16 21.91 65.92 + + + *++++++++++++ Angle PHI GLU 381 -73.00 -53.00 16 28.19 57.41 + +++ ++++* +++++++ Angle PSI GLU 381 -50.00 -30.00 14 22.41 52.55 ++++++ *+ + +++++ Angle PHI GLN 382 -76.00 -56.00 7 7.11 66.46 + +++ + *+ Angle PSI GLN 382 -48.00 -28.00 16 11.92 33.28 ++++ ++ ++++++++ * + Angle PHI MET 383 -75.00 -55.00 19 29.32 51.34 *++++++++++++++++ ++ Angle PSI MET 383 -52.00 -32.00 15 14.38 29.55 +++*+++++ + + ++++ Angle PHI LEU 384 -73.00 -53.00 17 17.26 33.63 ++++*+++ ++++++++ + Angle PSI LEU 384 -52.00 -32.00 13 11.26 39.69 +++ +++ *+ + ++++ Angle PHI GLU 385 -75.00 -55.00 18 13.75 26.86 ++++ +++++* ++++++++ Angle PSI GLU 385 -54.00 -34.00 20 19.65 33.56 +++++++++++*++++++++ Angle PHI LEU 386 -74.00 -54.00 20 27.75 43.11 ++*+++++++++++++++++ Angle PSI LEU 386 -51.00 -31.00 11 18.28 50.57 + +++ + + *+ + + + Angle PHI LEU 387 -77.00 -57.00 18 21.84 62.92 *+++ ++++++ ++++++++ Angle PSI LEU 387 -51.00 -31.00 16 21.25 62.69 + +++++ ++*++++ +++ Angle PHI VAL 388 -78.00 -58.00 9 10.66 59.96 * + + +++ + ++ Angle PSI VAL 388 -55.00 -35.00 18 34.49 66.94 +++++++++ ++++++*++ Angle PHI LEU 389 -70.00 -50.00 11 12.16 64.93 + +++ + +* ++++ Angle PSI LEU 389 -57.00 -37.00 20 76.65 114.23 +++++++++++*++++++++ Angle PHI GLU 390 -73.00 -53.00 20 45.25 76.87 +++++++++++++*++++++ Angle PHI GLN 391 -74.00 -54.00 15 28.23 52.07 ++ *+++++ ++++ +++ Angle PSI GLN 391 -46.00 -26.00 16 18.89 51.92 +++++* ++++ + + ++++ Angle PHI PHE 392 -74.00 -54.00 18 26.05 84.81 ++++ +++++++*++++ ++ Angle PSI PHE 392 -55.00 -35.00 15 41.27 124.99 +++ +++ ++ +++++ *+ Angle PHI LEU 393 -72.00 -52.00 20 49.40 125.60 ++*+++++++++++++++++ Angle PSI LEU 393 -49.00 -29.00 16 12.63 40.35 + ++ ++++ + ++*+++++ Angle PHI GLY 394 -80.00 -56.00 16 13.89 41.33 ++++ + ++ ++++*+++ + Angle PSI GLY 394 -46.00 -8.00 10 11.07 43.12 + + +* ++ ++ ++ Angle PSI PRO 397 132.20 154.90 12 8.47 20.41 + ++++++ ++ ++* Angle PSI PRO 398 -46.00 -28.00 16 22.99 43.27 + *+ + ++++++ ++++++ Angle PHI GLU 399 -76.00 -56.00 16 14.28 33.13 + *++ + ++++++++ +++ Angle PHI ILE 400 -73.00 -53.00 20 29.26 48.41 +++++++++++++*++++++ Angle PSI ILE 400 -52.00 -32.00 12 7.27 22.16 +++++ *+ ++ ++ + Angle PHI GLN 401 -71.00 -51.00 11 4.48 12.35 + + + ++ ++*+ ++ Angle PSI GLN 401 -51.00 -31.00 16 13.17 29.02 +++++++++++ ++++* Angle PHI ALA 402 -72.00 -52.00 6 3.71 14.84 * + ++ + + Angle PSI ALA 402 -51.00 -31.00 11 8.81 25.98 + *++ ++ ++ ++ + Angle PHI ARG 403 -73.00 -53.00 11 6.51 19.80 * ++ +++ + + + ++ Angle PSI ARG 403 -53.00 -33.00 11 7.02 21.24 ++ ++ + +* + +++ Angle PHI VAL 404 -77.00 -57.00 15 8.25 20.46 + + +++ ++ +*+++ +++ Angle PHI GLN 405 -72.00 -52.00 7 4.41 21.15 ++ + * + + + Angle PSI GLN 405 -52.00 -30.00 10 4.69 14.16 + ++ + + *++ + + Angle PSI GLY 406 -40.00 -6.00 8 5.76 27.84 + +* + + + + + Angle PHI GLY 410 58.00 92.00 18 18.32 36.26 + +++++++++++ +++*++ Angle PSI GLY 410 -10.00 46.00 12 8.93 27.74 +++ + ++ *++ +++ Angle PSI PRO 412 -44.00 -28.00 18 27.83 64.31 ++++* +++ ++++++++++ Angle PHI GLU 413 -75.00 -55.00 13 29.72 84.01 ++ +* +++ ++ ++++ Angle PSI GLU 413 -51.00 -31.00 16 21.69 45.93 ++++++ ++ ++++*+++ Angle PHI GLU 414 -74.00 -54.00 10 10.99 44.79 +++* + + + ++ + Angle PSI GLU 414 -54.00 -34.00 16 13.85 31.48 ++ ++++ +*++++ ++++ Angle PHI ALA 415 -76.00 -56.00 11 10.47 32.30 +++* ++ ++ ++ + Angle PSI ALA 415 -49.00 -29.00 13 11.70 30.74 + + *++++ ++ ++++ Angle PHI ALA 416 -73.00 -53.00 18 13.68 28.36 ++ +++++*+++ +++++++ Angle PSI ALA 416 -50.00 -30.00 15 15.26 49.83 ++ ++ +++ ++ + ++*++ Angle PHI ALA 417 -74.00 -54.00 16 27.07 54.97 +++++ ++++++ + ++* + Angle PSI ALA 417 -50.00 -30.00 10 8.64 37.75 ++ ++++ + * + + Angle PSI LEU 418 -48.00 -28.00 8 7.01 35.24 +++++ + * + Angle PHI VAL 419 -74.00 -54.00 13 10.67 38.76 ++ ++ + + ++ * ++++ Angle PHI ASP 420 -69.00 -49.00 8 4.22 13.52 ++ + + + + *+ Angle PSI ASP 420 -52.00 -32.00 6 3.35 12.11 ++ + + * + Angle PHI GLY 421 -84.00 -58.00 14 7.21 14.38 ++ ++ *++ ++ + +++ + 1278 violated distance constraints. 1380 violated van der Waals constraints. 233 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 1.77 +/- 0.49 A (1.17..3.23 A) Average heavy atom RMSD to mean : 2.21 +/- 0.45 A (1.69..3.54 A)