Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 29.34 123 0.0478 0.80 13 28.1 0.28 6 1.5048 9.38 2 29.50 120 0.0474 0.83 15 27.0 0.36 3 1.4258 9.44 3 29.88 128 0.0476 0.78 19 28.7 0.39 5 1.4766 7.67 4 29.92 121 0.0479 0.79 16 26.3 0.35 5 1.5208 9.27 5 29.96 117 0.0478 0.88 13 27.5 0.40 6 1.4897 9.39 6 30.35 123 0.0474 0.73 15 29.4 0.39 4 1.4858 9.15 7 31.07 121 0.0481 0.82 23 30.2 0.36 5 1.4786 9.29 8 31.37 118 0.0463 0.78 20 31.2 0.48 6 1.6248 9.59 9 31.38 127 0.0467 0.71 18 31.1 0.52 5 1.5448 9.76 10 31.42 122 0.0470 0.65 23 31.4 0.48 7 1.4650 8.90 11 31.50 123 0.0473 0.99 21 30.6 0.38 6 1.5880 8.80 12 31.80 127 0.0468 0.72 18 28.6 0.38 7 1.6158 9.41 13 32.19 127 0.0487 0.79 17 29.7 0.48 7 1.5622 10.03 14 32.23 128 0.0493 1.07 13 30.4 0.41 5 1.5912 10.13 15 32.23 126 0.0486 0.87 20 29.7 0.39 4 1.4750 9.29 16 32.38 126 0.0488 0.83 20 30.3 0.47 7 1.5011 8.88 17 32.40 120 0.0473 0.66 27 31.8 0.39 6 1.4855 9.56 18 32.44 124 0.0496 0.90 15 28.9 0.31 6 1.5725 9.49 19 32.52 138 0.0491 0.71 18 31.4 0.52 3 1.5207 9.79 20 32.56 122 0.0478 0.73 24 31.1 0.48 4 1.4987 9.56 Ave 31.32 124 0.0479 0.80 18 29.7 0.41 5 1.5214 9.34 +/- 1.08 5 0.0009 0.10 4 1.5 0.07 1 0.0533 0.51 Min 29.34 117 0.0463 0.65 13 26.3 0.28 3 1.4258 7.67 Max 32.56 138 0.0496 1.07 27 31.8 0.52 7 1.6248 10.13 Cut 0.20 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H GLU 41 - HB2 GLU 41 3.34 9 0.11 0.25 + + ++++ + * + peak 736 Upper QB ALA 43 - QB ARG 46 3.94 13 0.23 0.38 ++ +*++++ +++ ++ peak 1627 Upper QB ALA 43 - HD1 TRP 72 3.34 17 0.29 0.45 ++++++ +++ ++*+++++ peak 223 Upper H ARG 44 - HD2 ARG 44 5.50 7 0.13 0.45 + +*++ + + peak 4152 Upper QG ARG 44 - HZ2 TRP 72 4.44 8 0.14 0.28 ++*++ + + + peak 199 Upper H LEU 45 - QD1 LEU 45 4.03 9 0.12 0.23 + + ++ ++ + * + peak 688 Upper HA LEU 45 - QD2 LEU 45 3.89 9 0.13 0.23 *+ + +++ ++ + peak 764 Upper HA ARG 46 - QD ARG 46 3.55 10 0.19 0.29 +++ ++++ + *+ peak 1170 Upper QD PHE 47 - HG LEU 65 3.96 20 0.37 0.44 ++++++++++++++++++*+ peak 305 Upper QD PHE 47 - QD1 LEU 65 4.16 12 0.26 0.42 * +++ ++ ++++++ peak 304 Upper QD PHE 47 - H GLN 391 4.93 20 0.54 0.74 +++++++++++++*++++++ peak 97 Upper HZ PHE 47 - QD1 LEU 65 4.39 9 0.20 0.34 + * ++ +++++ peak 292 Upper HZ PHE 47 - H CYS 69 4.92 16 0.26 0.40 ++ ++ +++ +++*++++ + peak 86 Upper QG ARG 48 - H CYS 49 4.29 9 0.14 0.35 ++ + ++ + + *+ peak 763 Upper H PHE 50 - H HIS 51 4.38 20 0.24 0.24 ++++++++++++*+++++++ peak 140 Upper HA PHE 50 - HB2 HIS 51 4.87 20 0.51 0.65 +++++++++++++*++++++ peak 2041 Upper QD PHE 50 - QG GLU 53 4.40 20 0.60 0.70 +++++++++++++++*++++ peak 4125 Upper QE PHE 50 - H LEU 62 4.89 15 0.22 0.37 +++++++ ++++ +* ++ peak 78 Upper QE PHE 50 - HA PHE 392 4.69 7 0.18 0.27 + + + +* ++ peak 84 Upper H HIS 51 - HD2 HIS 51 4.61 8 0.08 0.22 + + ++* ++ + peak 320 Upper HB2 HIS 51 - HD2 HIS 51 3.52 12 0.24 0.45 + ++ + ++++ *+ ++ peak 335 Upper HB3 HIS 51 - HD2 HIS 51 3.52 8 0.17 0.43 + + *++ ++ + peak 334 Upper HD2 HIS 51 - HB2 GLU 53 4.71 20 0.41 0.68 +++++++++++++++*++++ peak 347 Upper HE1 HIS 51 - HB2 GLU 53 4.70 9 0.20 0.45 + + +++ ++* + peak 259 Upper HE1 HIS 51 - QG GLU 53 4.07 11 0.26 0.39 + ++ + +++* + ++ peak 258 Upper H TYR 52 - QD TYR 52 3.90 20 0.27 0.29 *+++++++++++++++++++ peak 62 Upper HA TYR 52 - QE TYR 52 3.67 20 0.59 0.62 +++++++++++++*++++++ peak 48 Upper QD TYR 52 - QB PRO 58 4.27 11 0.21 0.30 + + *+ ++++++ + peak 352 Upper QE TYR 52 - QG2 THR 56 4.35 6 0.19 0.30 + + * + ++ peak 236 Upper QE TYR 52 - QB ALA 395 4.45 20 0.57 0.62 +++++++++++++*++++++ peak 234 Upper QB GLU 53 - QB ALA 61 4.29 20 0.43 0.48 +++++++++*++++++++++ peak 8142 Upper QG GLU 53 - QB ALA 55 3.68 20 0.56 0.58 ++*+++++++++++++++++ peak 1710 Upper QB ALA 55 - H GLY 57 4.06 6 0.19 0.23 + + + ++ * peak 826 Upper HA THR 56 - QG2 THR 56 2.98 20 0.22 0.22 +++++++++++++++*++++ peak 704 Upper HA THR 56 - H GLY 57 3.21 20 0.22 0.24 +++++++++++++++*++++ peak 819 Upper HB THR 56 - HG3 GLU 60 4.55 20 0.48 0.53 ++++++++++++++*+++++ peak 2105 Upper H GLY 57 - QG GLU 60 4.89 20 0.32 0.34 +++*++++++++++++++++ peak 824 Upper H GLN 59 - QQG VAL 419 5.28 6 0.16 0.28 + +* + + + peak 841 Upper HA GLN 59 - HB3 LEU 62 4.21 20 0.33 0.38 +++++++++++++*++++++ peak 1873 Upper H GLU 60 - QG GLU 60 3.49 20 0.43 0.45 ++++++++++++++*+++++ peak 860 Upper H GLU 60 - QB ALA 63 4.69 20 0.27 0.33 ++++++++++++++*+++++ peak 863 Upper HA GLU 60 - HG2 GLU 60 3.54 20 0.27 0.29 ++++++*+++++++++++++ peak 2227 Upper HA GLU 60 - H GLN 64 4.39 10 0.24 0.44 +++ + ++*+ + + peak 2247 Upper QB GLU 60 - QE2 GLN 64 3.68 8 0.13 0.26 +++ + +++ * peak 915 Upper HG2 GLU 60 - H GLN 64 5.41 16 0.23 0.29 ++++ ++++++ ++*+ ++ peak 2244 Upper HA ALA 61 - HB3 GLN 64 4.38 19 0.31 0.41 ++++++++++++++*+ +++ peak 4210 Upper HA ALA 61 - HE22 GLN 64 4.62 12 0.15 0.34 +++ +++++ +* ++ peak 1407 Upper HA LEU 62 - QD1 LEU 62 3.57 20 0.27 0.30 *+++++++++++++++++++ peak 8304 Upper HA LEU 62 - QD2 LEU 65 4.31 20 0.35 0.41 +++++++*++++++++++++ peak 2369 Upper HG LEU 62 - H ALA 63 3.86 20 0.67 0.70 ++++++++++++*+++++++ peak 1399 Upper HA ALA 63 - H GLU 67 3.91 20 0.58 0.66 ++++++++++*+++++++++ peak 214 Upper QB ALA 63 - HE22 GLN 64 5.09 8 0.11 0.28 +++ + ++* + peak 926 Upper H GLN 64 - HG2 GLN 64 3.71 8 0.09 0.25 +++ ++ *+ + peak 2339 Upper HA GLN 64 - HE22 GLN 64 5.21 15 0.23 0.53 +++++++ ++++ +* ++ peak 394 Upper HA GLN 64 - HG3 GLU 67 4.62 11 0.22 0.48 ++* + ++ ++ + ++ peak 2453 Upper HB3 GLN 64 - H LEU 65 3.82 8 0.13 0.28 +++ + ++ * + peak 4218 Upper HG2 GLN 64 - H LEU 65 4.69 8 0.18 0.57 +++ ++ +* + peak 939 Upper QG GLN 64 - H LEU 65 4.06 8 0.11 0.36 +++ ++ *+ + peak 2352 Upper QG GLN 64 - QQD LEU 68 4.44 8 0.15 0.38 +++ + +*+ + peak 2497 Upper HA LEU 65 - QD1 LEU 65 3.67 17 0.22 0.28 +++++ +++++++*+ +++ peak 8287 Upper QD2 LEU 65 - QD PHE 392 4.34 8 0.18 0.28 ++* + ++ ++ peak 2402 Upper H ARG 66 - QD ARG 66 4.05 8 0.10 0.30 +++ *+ +++ peak 940 Upper H GLU 67 - QD1 LEU 68 4.80 12 0.21 0.38 ++++++ +* ++ ++ peak 1410 Upper H GLU 67 - QQD LEU 68 4.23 16 0.20 0.31 +++++++++++++ ++ * peak 1410 Upper H GLU 67 - QD2 LEU 68 4.80 13 0.21 0.40 ++++ +++++ ++ +* peak 956 Upper H GLU 67 - H ARG 70 4.52 19 0.25 0.31 +++++*++++ +++++++++ peak 195 Upper HA GLU 67 - HD3 ARG 70 4.82 8 0.18 0.34 ++ +++ * + + peak 2591 Upper QQD LEU 68 - H CYS 69 3.67 7 0.18 0.25 * + + ++ + + peak 2535 Upper QD2 LEU 68 - H CYS 69 4.25 16 0.28 0.38 +++++++++++++ ++ * peak 2535 Upper HA CYS 69 - H ARG 74 5.50 9 0.21 0.40 + + + ++ *+++ peak 4237 Upper H ARG 70 - HG3 ARG 70 4.23 17 0.37 0.44 +++ ++++++*++ ++++ + peak 1412 Upper QB ARG 70 - H ARG 74 4.23 8 0.18 0.36 + + + + + *+ + peak 995 Upper QG ARG 70 - H ARG 74 3.39 8 0.16 0.25 + + ++ * +++ peak 997 Upper HA GLN 71 - HE22 GLN 71 5.18 16 0.47 0.65 ++++++++ +++ ++++ * peak 1377 Upper HG2 GLN 71 - H TRP 72 4.88 10 0.16 0.35 +++ ++ + + + + * peak 2622 Upper H TRP 72 - QD1 LEU 73 5.41 16 0.24 0.39 +++++++++++++ * ++ peak 283 Upper H LEU 73 - HD2 PRO 75 5.21 14 0.26 0.45 + *++++ ++ + +++++ peak 2707 Upper HA LEU 73 - QE MET 383 4.94 6 0.10 0.40 * + + + + + peak 2648 Upper QQD LEU 73 - QE MET 83 3.11 17 0.30 0.46 ++* ++++++++++++ ++ peak 4258 Upper H GLU 76 - QE MET 83 4.09 20 0.37 0.46 +++++++++++++++*++++ peak 1012 Upper H GLU 76 - QB LYS 380 4.00 13 0.26 0.41 ++ + *++ + + ++++ + peak 1014 Upper QG LYS 80 - QE MET 83 3.72 13 0.25 0.54 +++ + ++++ +++ *+ peak 8123 Upper QD LYS 80 - QQD LEU 84 4.74 14 0.27 0.52 ++ ++*+ ++++ ++++ peak 2853 Upper H GLU 81 - QE MET 83 4.92 8 0.14 0.32 + +++ + *+ + peak 1649 Upper HA GLU 81 - QB LEU 84 3.38 9 0.16 0.51 + + + + +++*+ peak 4323 Upper HA MET 83 - QE MET 83 3.65 6 0.13 0.26 *+ +++ + peak 4334 Upper HA MET 83 - QD2 LEU 86 4.27 20 0.38 0.55 ++++++*+++++++++++++ peak 2975 Upper HA MET 83 - QQD LEU 373 3.94 11 0.25 0.54 + +* +++ + + +++ peak 2973 Upper HA MET 83 - QD1 LEU 373 4.84 17 0.35 0.57 ++++++* ++++++++++ peak 4113 Upper HA LEU 84 - QD1 LEU 87 4.26 13 0.31 0.76 + + ++++ + +++*++ peak 3123 Upper QB LEU 84 - QB LEU 87 4.26 12 0.20 0.44 *+ ++ ++++++++ peak 3001 Upper QB LEU 84 - H ARG 370 4.73 6 0.17 0.34 + + + ++* peak 8249 Upper QB LEU 84 - QD1 LEU 373 4.58 15 0.36 0.83 ++ ++ ++++++*++ ++ peak 2939 Upper QQD LEU 84 - H LEU 87 4.59 17 0.33 0.71 ++++ ++*++++ ++++++ peak 8320 Upper QQD LEU 84 - HG LEU 373 2.73 19 0.63 0.88 ++++*++ ++++++++++++ peak 8349 Upper QQD LEU 84 - HA PRO 375 4.12 12 0.38 0.73 ++ + +++++++ +* peak 3007 Upper HA GLU 85 - QG1 VAL 88 3.94 18 0.26 0.35 +++++++ +*++++++++ + peak 3032 Upper H LEU 86 - HB2 LEU 87 5.21 15 0.42 0.63 ++ ++ ++*++++++ ++ peak 3105 Upper H LEU 87 - HG LEU 87 3.24 11 0.36 0.90 + + ++++ + +*++ peak 1109 Upper H LEU 87 - QD1 LEU 87 3.76 20 0.48 0.56 +++++*++++++++++++++ peak 1104 Upper H LEU 87 - QD2 LEU 87 3.76 7 0.13 0.42 + + ++ *++ peak 3091 Upper QQD LEU 87 - HZ2 TRP 372 3.36 13 0.24 0.48 ++ ++ ++*+ +++++ peak 3090 Upper QQD LEU 87 - HG LEU 373 3.28 15 0.22 0.38 ++ *+ ++++ +++++ ++ peak 8229 Upper QD1 LEU 87 - QD2 LEU 373 3.95 8 0.14 0.32 + *++ + ++ + peak 3133 Upper QQD LEU 89 - QG PRO 112 3.44 20 0.45 0.60 *+++++++++++++++++++ peak 4472 Upper H GLU 90 - QQD LEU 93 4.55 13 0.20 0.29 + + ++*+ +++ ++++ peak 1148 Upper QB GLU 90 - HH2 TRP 372 5.20 12 0.24 0.41 * +++++ + + + + ++ peak 3205 Upper QE PHE 92 - QB ALA 95 4.44 20 0.31 0.45 ++++++++++++++*+++++ peak 160 Upper QE PHE 92 - QQG VAL 104 3.82 13 0.26 0.38 + + ++++++ + ++*+ peak 348 Upper QE PHE 92 - QQD LEU 365 3.52 20 0.31 0.61 +++++*++++++++++++++ peak 164 Upper HZ PHE 92 - H VAL 119 4.92 11 0.20 0.25 ++ +++ ++ + + * + peak 627 Upper HZ PHE 92 - QB ALA 361 4.38 18 0.26 0.35 ++ +++ ++++++++*++++ peak 171 Upper QQD LEU 93 - HA GLN 105 3.95 15 0.25 0.44 ++++++++++ + + + *+ peak 3279 Upper QD1 LEU 93 - H ALA 115 5.27 16 0.31 0.49 +++++++ +++ ++++ *+ peak 3299 Upper H LEU 96 - QG2 ILE 100 4.86 20 0.36 0.39 +++++++++++++++*++++ peak 1673 Upper H LEU 96 - HA GLN 101 5.13 11 0.20 0.26 ++ + ++ *++ + + + peak 462 Upper QD1 LEU 96 - H ILE 100 5.13 20 0.28 0.30 +++*++++++++++++++++ peak 234 Upper QQD LEU 96 - H GLN 105 4.93 11 0.23 0.34 + +++ +++ *+++ peak 1220 Upper QD2 LEU 96 - HB3 GLN 101 5.50 20 0.37 0.43 ++*+++++++++++++++++ peak 4418 Upper HD3 PRO 97 - QG2 ILE 100 3.84 20 0.28 0.30 ++*+++++++++++++++++ peak 4395 Upper HA GLU 99 - H ALA 102 3.37 20 0.53 0.55 ++*+++++++++++++++++ peak 484 Upper H ILE 100 - QD1 ILE 100 3.11 20 0.33 0.39 +++++++++++++++++*++ peak 232 Upper H GLN 101 - QG GLN 101 3.66 20 0.30 0.30 ++++++++++++++*+++++ peak 4109 Upper H GLN 101 - HG2 GLN 101 4.26 20 0.27 0.27 ++*+++++++++++++++++ peak 4109 Upper H GLN 101 - QB ALA 102 4.05 20 0.27 0.29 ++++++++++++*+++++++ peak 4140 Upper HB2 GLN 101 - H ALA 102 3.63 20 0.31 0.36 +++++++*++++++++++++ peak 1213 Upper HA ARG 103 - QQG VAL 104 4.08 20 0.52 0.55 ++++++++++++++*+++++ peak 3578 Upper HG3 ARG 103 - H VAL 104 4.59 8 0.18 0.25 + ++++ + * + peak 4426 Upper QD ARG 103 - H VAL 104 4.48 19 0.24 0.33 ++++++++++++ +++++*+ peak 3561 Upper HB VAL 104 - H GLN 105 3.45 20 0.53 0.60 ++++++++++++*+++++++ peak 1444 Upper QQG VAL 104 - QG ARG 108 4.05 16 0.43 0.67 *+ ++++++++ ++ ++++ peak 4452 Upper QQG VAL 104 - QD ARG 108 3.17 12 0.21 0.40 * + ++++ + +++++ peak 4457 Upper QQG VAL 104 - HD2 ARG 108 3.87 6 0.12 0.29 + ++ * + + peak 4457 Upper QB GLN 107 - H LEU 118 4.90 20 0.65 0.99 ++++++++++*+++++++++ peak 3622 Upper HA PRO 109 - H GLY 110 3.23 20 0.31 0.35 +++++++++++++*++++++ peak 560 Upper HA PRO 109 - H SER 111 4.08 10 0.13 0.28 +++++ ++* ++ peak 553 Upper QB PRO 109 - QB ALA 115 3.60 10 0.21 0.47 +++++ +++ *+ peak 1683 Upper HB3 PRO 109 - H ALA 115 3.84 10 0.13 0.31 +++++ +++ *+ peak 1283 Upper H GLY 110 - QG GLU 114 4.49 20 0.32 0.35 *+++++++++++++++++++ peak 1253 Upper H SER 111 - H GLU 114 4.14 9 0.16 0.26 ++ ++ +++ *+ peak 563 Upper HA GLU 113 - H ALA 117 4.49 20 0.46 0.51 ++*+++++++++++++++++ peak 575 Upper HG2 GLU 113 - H GLU 114 4.61 20 0.27 0.30 +++*++++++++++++++++ peak 3817 Upper HA GLU 114 - HG3 GLU 114 3.49 20 0.30 0.33 +++++++++++++*++++++ peak 502 Upper QB GLU 114 - H ALA 117 4.29 19 0.26 0.38 ++ +++*+++++++++++++ peak 1292 Upper QG GLU 114 - QQD LEU 118 3.95 20 0.30 0.49 ++++++*+++++++++++++ peak 4477 Upper QB ALA 116 - QG GLN 359 3.69 11 0.21 0.46 + + + + *+++ +++ peak 1622 Upper H ALA 117 - QG PRO 358 4.55 13 0.21 0.28 + +++ + * + ++ ++++ peak 1291 Upper HA LEU 118 - QQD LEU 118 2.80 18 0.45 0.60 ++++++ +++++*++ ++++ peak 4488 Upper HA LEU 118 - QD1 LEU 118 3.79 16 0.25 0.32 ++++++ +++++ ++ *+ + peak 886 Upper H VAL 119 - QG1 VAL 119 3.51 12 0.20 0.25 + *++++ + +++++ peak 3969 Upper H LEU 122 - HB3 LEU 122 3.38 20 0.23 0.26 +++++++++++++*++++++ peak 1327 Upper HA LEU 122 - HG LEU 122 3.34 19 0.21 0.23 ++++++*+++++ +++++++ peak 563 Upper HA LEU 122 - QD1 LEU 122 2.98 20 0.52 0.62 ++++++++++++*+++++++ peak 565 VdW CG HIS 51 - C HIS 51 2.90 12 0.21 0.25 + +* + ++++ ++ ++ VdW OG1 THR 56 - CG GLU 60 2.90 17 0.21 0.22 ++ ++*++++++++ ++++ VdW H GLN 64 - CG GLN 64 2.55 12 0.13 0.25 +++ +++++ +* ++ VdW O GLN 64 - HG LEU 68 2.30 14 0.21 0.30 +++ ++*+++++ + ++ VdW CG ARG 66 - C ARG 66 2.90 6 0.15 0.21 *+ ++ + + VdW CG GLU 67 - C GLU 67 2.90 9 0.20 0.24 + +++ * ++ + + VdW SG CYS 69 - C CYS 69 3.10 6 0.17 0.30 + ++ + * + VdW O ARG 70 - N ARG 74 2.75 7 0.17 0.27 + + * + ++ + VdW HA PRO 75 - CE MET 83 2.60 16 0.23 0.31 ++++++++++*+ +++ + VdW N MET 83 - HG2 MET 83 2.45 6 0.11 0.25 + * + ++ + VdW H MET 83 - CG MET 83 2.55 7 0.12 0.31 + +++ ++ * VdW H MET 83 - HG2 MET 83 1.95 8 0.13 0.38 ++ + +*+ + + VdW HB2 PRO 97 - HD2 PRO 98 2.00 20 0.22 0.24 +++++++++*++++++++++ VdW O PRO 97 - CB GLN 101 2.90 20 0.26 0.28 +++++++*++++++++++++ VdW O GLN 107 - C ARG 108 2.80 19 0.34 0.48 ++++++++*++++++++++ VdW HA ARG 108 - CD PRO 109 2.60 7 0.12 0.27 *+++ + ++ VdW CB PRO 109 - HB2 GLU 114 2.60 20 0.31 0.39 ++*+++++++++++++++++ VdW HB2 PRO 109 - HB2 GLU 114 2.00 12 0.21 0.31 ++++ + ++ + + *++ VdW CA LEU 122 - CD2 LEU 122 3.00 15 0.21 0.23 *+++++++++ + ++ ++ VdW SG CYS 369 - C CYS 369 3.10 7 0.18 0.26 + + * +++ + VdW SG CYS 369 - N ARG 370 3.25 14 0.23 0.39 ++ ++ ++++ +*++ ++ VdW CG TRP 372 - C TRP 372 2.90 13 0.18 0.25 *+ ++ ++++ +++++ VdW CD1 TRP 372 - C TRP 372 3.10 13 0.27 0.41 ++ ++ ++++ +*+++ VdW O LEU 373 - C ARG 374 2.80 13 0.22 0.48 ++ *+++ +++++ ++ Angle PSI THR 56 -15.00 15.00 8 4.89 8.41 + + + + + *+ + Angle PHI GLU 99 -76.00 -56.00 20 9.28 10.03 ++++++++++++*+++++++ Angle PHI VAL 104 -77.00 -57.00 14 5.96 9.55 + +++ ++++ + +++*+ Angle PHI GLN 105 -72.00 -52.00 6 3.88 5.91 ++*+ ++ Angle PHI GLY 110 58.00 92.00 10 3.61 8.14 +++++ *++ ++ Angle PHI ALA 115 -76.00 -56.00 10 5.80 7.98 +++++ +++ +* Angle PSI ALA 117 -50.00 -30.00 11 4.86 6.88 + + ++++ + *+++ 153 violated distance constraints. 24 violated van der Waals constraints. 7 violated angle constraints. RMSDs for residues 40..120: Average backbone RMSD to mean : 0.35 +/- 0.12 A (0.21..0.62 A; 20 structures) Average heavy atom RMSD to mean : 0.75 +/- 0.10 A (0.64..0.99 A; 20 structures)