#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngr s ASN 335 N 0.00 4.08 1.42 1.61 -0.87 -1.26 -4.78 114.94 115.13 1ngr s ASN 335 Ca 0.00 0.76 -0.22 0.00 -1.57 0.00 0.00 52.86 51.83 1ngr s ASN 335 Cb 0.00 -1.21 0.37 0.00 -0.02 0.00 0.00 41.25 40.38 1ngr s ASN 335 CO 0.00 -2.17 0.92 -0.76 -2.57 0.00 0.00 177.10 172.52 1ngr s LEU 336 N -5.73 -1.05 -0.11 0.60 2.01 -1.26 -0.63 118.68 112.50 1ngr s LEU 336 Ca 0.64 0.96 -0.26 0.00 0.01 0.00 0.00 54.13 55.48 1ngr s LEU 336 Cb -0.11 -2.42 -0.23 0.00 0.01 0.00 0.00 46.19 43.45 1ngr s LEU 336 CO 0.50 -5.36 0.82 0.22 1.01 0.00 0.00 176.35 173.54 1ngr h TYR 337 N -3.42 -0.01 0.00 0.29 5.03 -1.80 -3.14 116.97 113.92 1ngr h TYR 337 Ca -0.46 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.85 1ngr h TYR 337 Cb 1.34 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.63 1ngr h TYR 337 CO -2.94 0.81 0.00 0.43 -1.32 0.00 0.00 178.16 175.14 1ngr n SER 338 N -4.68 0.05 -0.23 -2.11 7.64 -1.26 -3.05 113.62 109.98 1ngr n SER 338 Ca -0.09 0.52 -0.05 0.00 1.01 0.00 0.00 58.87 60.25 1ngr n SER 338 Cb 0.40 -0.52 0.10 0.00 -1.01 0.00 0.00 64.21 63.18 1ngr n SER 338 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1ngr h SER 339 N 0.00 0.99 -2.06 6.43 0.87 -1.91 -3.37 113.55 114.50 1ngr h SER 339 Ca 0.00 -0.18 -0.57 0.00 -1.23 0.00 0.00 61.79 59.80 1ngr h SER 339 Cb 0.15 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1ngr h SER 339 CO 0.00 0.93 1.47 -0.22 -0.53 0.00 0.00 176.83 178.48 1ngr s LEU 340 N -9.53 3.44 0.00 2.23 0.20 -1.17 -4.89 118.68 108.96 1ngr s LEU 340 Ca -0.11 1.70 0.28 0.00 0.69 0.00 0.00 54.13 56.69 1ngr s LEU 340 Cb 0.15 -3.41 1.17 0.00 -0.43 0.00 0.00 46.19 43.67 1ngr s LEU 340 CO 0.83 -2.02 1.81 -0.81 -0.29 0.00 0.00 176.35 175.87 1ngr n PRO 341 N 8.75 0.96 -2.70 0.98 -0.04 -1.26 -4.89 135.00 136.80 1ngr n PRO 341 Ca 0.29 -0.42 -0.22 0.00 -0.04 0.00 0.00 63.50 63.12 1ngr n PRO 341 Cb 0.46 -1.49 0.03 0.00 -0.04 0.00 0.00 33.50 32.46 1ngr n PRO 341 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ngr s LEU 342 N -2.33 3.34 0.00 1.53 1.98 -1.26 -4.95 118.68 116.99 1ngr s LEU 342 Ca 0.32 0.07 0.00 0.00 -2.89 0.00 0.00 54.13 51.63 1ngr s LEU 342 Cb 0.20 -2.94 0.00 0.00 0.66 0.00 0.00 46.19 44.11 1ngr s LEU 342 CO 0.44 -1.06 0.78 0.41 -1.89 0.00 0.00 176.35 175.04 1ngr n THR 343 N -2.30 1.21 -0.34 3.68 -1.04 -1.26 -1.86 114.28 112.37 1ngr n THR 343 Ca 0.07 0.44 0.22 0.00 -2.04 0.00 0.00 64.05 62.73 1ngr n THR 343 Cb 0.59 -1.44 0.46 0.00 -1.82 0.00 0.00 70.33 68.13 1ngr n THR 343 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1ngr h LYS 344 N 0.00 0.42 -0.46 -2.82 3.64 -1.95 0.41 116.57 115.81 1ngr h LYS 344 Ca 0.00 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1ngr h LYS 344 Cb 0.26 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1ngr h LYS 344 CO 0.00 0.28 0.31 0.00 -2.27 0.00 0.00 179.45 177.76 1ngr h ARG 345 N 0.43 0.57 -0.17 1.90 -0.00 -1.71 0.14 114.38 115.53 1ngr h ARG 345 Ca 0.67 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.98 60.01 1ngr h ARG 345 Cb 1.51 -0.13 -0.00 0.00 0.00 0.00 0.00 29.97 31.35 1ngr h ARG 345 CO -0.45 0.38 -0.28 0.93 0.00 0.00 0.00 179.97 180.55 1ngr h GLU 346 N 0.59 0.49 -0.02 0.04 4.39 -1.20 -1.45 114.58 117.43 1ngr h GLU 346 Ca 0.18 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.58 1ngr h GLU 346 Cb -0.01 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1ngr h GLU 346 CO -0.04 0.90 0.02 1.49 -1.16 0.00 0.00 179.01 180.22 1ngr h GLU 347 N 0.13 0.00 0.00 2.33 4.22 -1.17 -1.36 114.58 118.73 1ngr h GLU 347 Ca 0.01 0.00 -0.20 0.00 0.08 0.00 0.00 59.36 59.26 1ngr h GLU 347 Cb 0.86 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 1ngr h GLU 347 CO 0.06 0.00 -0.97 0.28 -2.18 0.00 0.00 179.01 176.20 1ngr h VAL 348 N 0.00 1.49 -0.21 0.32 2.07 -0.17 -0.75 116.25 119.01 1ngr h VAL 348 Ca 0.01 -3.15 0.02 0.00 0.82 0.00 0.00 66.70 64.40 1ngr h VAL 348 Cb 0.05 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1ngr h VAL 348 CO -0.00 0.85 0.14 -0.33 0.02 0.00 0.00 177.57 178.25 1ngr h GLU 349 N 0.00 0.20 -0.48 1.57 5.08 -0.20 0.33 114.58 121.08 1ngr h GLU 349 Ca -0.03 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 1ngr h GLU 349 Cb 1.72 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.91 1ngr h GLU 349 CO 0.11 0.13 -0.23 -0.22 -1.00 0.00 0.00 179.01 177.81 1ngr h LYS 350 N 0.21 0.99 0.00 2.33 3.11 -1.30 -3.36 116.57 118.55 1ngr h LYS 350 Ca 0.08 -0.43 0.00 0.00 -2.81 0.00 0.00 60.65 57.49 1ngr h LYS 350 Cb 0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.29 1ngr h LYS 350 CO -0.02 1.11 -0.06 -0.07 -2.81 0.00 0.00 179.45 177.61 1ngr h LEU 351 N 0.85 0.00 -5.57 5.20 3.38 0.25 -3.38 115.31 116.04 1ngr h LEU 351 Ca 0.11 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.64 1ngr h LEU 351 Cb 0.81 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.58 1ngr h LEU 351 CO 0.07 0.47 2.66 0.18 0.09 0.00 0.00 178.44 181.90 1ngr n LEU 352 N -4.43 5.09 -4.43 1.67 4.77 0.10 -4.90 117.00 114.86 1ngr n LEU 352 Ca -0.01 -3.01 -0.35 0.00 -0.03 0.00 0.00 56.01 52.61 1ngr n LEU 352 Cb 0.03 -1.14 0.08 0.00 -2.33 0.00 0.00 43.42 40.06 1ngr n LEU 352 CO 0.01 0.58 -0.03 -3.20 -1.33 0.00 0.00 177.39 173.42 1ngr n ASN 353 N 4.67 -1.64 -3.54 -1.43 5.15 -1.26 -4.20 115.26 113.01 1ngr n ASN 353 Ca 0.47 0.50 -0.40 0.00 -0.60 0.00 0.00 54.58 54.55 1ngr n ASN 353 Cb 0.18 -1.19 -0.06 0.00 -0.53 0.00 0.00 39.78 38.18 1ngr n ASN 353 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ngr n GLY 354 N 1.67 2.33 0.00 8.20 0.00 -1.26 -1.19 105.19 114.94 1ngr n GLY 354 Ca 0.09 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1ngr n GLY 354 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ngr n ASP 355 N 7.26 0.00 0.12 1.61 2.03 -1.26 -4.99 116.55 121.33 1ngr n ASP 355 Ca 0.47 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.76 1ngr n ASP 355 Cb 0.37 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 40.90 1ngr n ASP 355 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1ngr h THR 356 N 0.00 1.47 -0.45 5.18 2.02 -1.47 -0.45 112.91 119.21 1ngr h THR 356 Ca 0.00 -2.24 0.09 0.00 0.77 0.00 0.00 66.41 65.03 1ngr h THR 356 Cb 0.00 2.20 -0.08 0.00 -1.74 0.00 0.00 68.15 68.53 1ngr h THR 356 CO 0.00 0.64 -0.08 4.11 0.37 0.00 0.00 175.52 180.56 1ngr h TRP 357 N 0.01 -0.18 -0.84 3.16 5.08 -1.48 -2.60 115.95 119.10 1ngr h TRP 357 Ca -0.01 0.04 0.12 0.00 1.08 0.00 0.00 58.89 60.12 1ngr h TRP 357 Cb 1.16 0.15 -0.14 0.00 -3.00 0.00 0.00 29.16 27.34 1ngr h TRP 357 CO 0.00 -0.17 -0.43 0.00 -1.28 0.00 0.00 178.44 176.57 1ngr h ARG 358 N 0.02 -0.07 -0.36 0.12 3.08 -1.34 0.34 114.38 116.16 1ngr h ARG 358 Ca 0.22 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.34 1ngr h ARG 358 Cb 0.33 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.34 1ngr h ARG 358 CO -0.44 -0.05 -0.02 0.45 -1.07 0.00 0.00 179.97 178.84 1ngr h HIS 359 N -0.08 -0.06 0.32 3.04 3.86 -1.56 -0.63 115.15 120.04 1ngr h HIS 359 Ca 0.26 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.48 1ngr h HIS 359 Cb 0.55 0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.11 1ngr h HIS 359 CO -0.83 -0.09 -0.15 1.25 0.86 0.00 0.00 177.93 178.97 1ngr h LEU 360 N 0.08 -0.36 -0.50 2.43 5.85 -0.94 -2.69 115.31 119.17 1ngr h LEU 360 Ca 0.18 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.99 1ngr h LEU 360 Cb 0.25 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 1ngr h LEU 360 CO -0.32 -0.23 -0.02 0.00 -0.34 0.00 0.00 178.44 177.53 1ngr h ALA 361 N 0.21 0.44 -0.84 1.25 0.00 0.10 0.70 119.26 121.13 1ngr h ALA 361 Ca -0.04 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ngr h ALA 361 Cb 0.35 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1ngr h ALA 361 CO 0.07 -0.40 0.48 0.78 0.00 0.00 0.00 179.25 180.18 1ngr h GLY 362 N 0.09 1.24 2.00 0.00 0.00 -1.17 -1.87 103.07 103.36 1ngr h GLY 362 Ca 0.25 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1ngr h GLY 362 CO -0.43 0.52 0.00 0.83 0.00 0.00 0.00 176.54 177.46 1ngr h GLU 363 N 1.16 0.00 -1.58 4.80 4.39 -0.86 -2.79 114.58 119.71 1ngr h GLU 363 Ca 0.30 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.58 1ngr h GLU 363 Cb 0.00 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 28.48 1ngr h GLU 363 CO -0.05 0.00 0.48 1.28 -1.16 0.00 0.00 179.01 179.56 1ngr n LEU 364 N -2.62 6.65 -2.59 1.33 4.77 0.11 -4.90 117.00 119.75 1ngr n LEU 364 Ca 0.01 -3.63 -0.14 0.00 -0.03 0.00 0.00 56.01 52.22 1ngr n LEU 364 Cb 0.24 -1.09 -0.00 0.00 -2.33 0.00 0.00 43.42 40.24 1ngr n LEU 364 CO 0.22 1.39 -0.14 0.61 -1.33 0.00 0.00 177.39 178.14 1ngr n GLY 365 N 0.30 -0.50 3.37 -0.72 0.00 -1.05 -4.96 105.19 101.63 1ngr n GLY 365 Ca 0.39 0.02 -0.36 0.00 0.00 0.00 0.00 46.02 46.07 1ngr n GLY 365 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ngr s TYR 366 N -2.68 3.03 0.89 1.61 2.02 -1.24 -5.09 117.35 115.90 1ngr s TYR 366 Ca 0.06 -0.75 -0.14 0.00 -0.37 0.00 0.00 57.07 55.88 1ngr s TYR 366 Cb -0.03 -2.18 0.01 0.00 -0.40 0.00 0.00 41.96 39.36 1ngr s TYR 366 CO 0.08 -0.48 0.39 1.04 -1.57 0.00 0.00 175.55 175.01 1ngr n GLN 367 N 4.85 -0.12 0.21 -0.62 6.02 -1.26 -4.37 117.38 122.08 1ngr n GLN 367 Ca -0.17 0.01 0.05 0.00 -0.01 0.00 0.00 57.00 56.88 1ngr n GLN 367 Cb 0.51 -1.82 0.44 0.00 1.02 0.00 0.00 30.24 30.39 1ngr n GLN 367 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1ngr h PRO 368 N -1.23 0.00 -0.90 -1.09 0.13 -1.99 -0.96 132.00 125.96 1ngr h PRO 368 Ca -0.44 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1ngr h PRO 368 Cb 1.30 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.38 1ngr h PRO 368 CO 0.36 0.29 0.60 0.93 -0.23 0.00 0.00 178.00 179.95 1ngr h GLU 369 N 0.00 1.18 -0.39 0.86 3.07 -2.00 -1.53 114.58 115.77 1ngr h GLU 369 Ca -0.00 -0.07 -0.14 0.00 -0.50 0.00 0.00 59.36 58.65 1ngr h GLU 369 Cb 0.55 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1ngr h GLU 369 CO 0.04 0.78 -0.31 0.45 -1.40 0.00 0.00 179.01 178.57 1ngr h HIS 370 N 1.22 0.99 0.17 4.33 3.86 -1.52 -2.12 115.15 122.08 1ngr h HIS 370 Ca 0.33 -0.27 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1ngr h HIS 370 Cb -0.13 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.12 1ngr h HIS 370 CO -0.01 1.05 -0.08 0.82 0.86 0.00 0.00 177.93 180.57 1ngr h ILE 371 N 0.72 0.86 -0.05 2.45 1.08 -0.96 -0.47 117.51 121.14 1ngr h ILE 371 Ca 0.08 -0.08 -0.14 0.00 -0.39 0.00 0.00 64.86 64.33 1ngr h ILE 371 Cb 0.87 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 1ngr h ILE 371 CO 0.08 0.02 -0.59 0.44 -0.69 0.00 0.00 178.15 177.40 1ngr h ASP 372 N -0.26 0.20 0.24 1.72 3.32 -1.35 -1.55 116.42 118.74 1ngr h ASP 372 Ca -0.02 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1ngr h ASP 372 Cb 0.20 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1ngr h ASP 372 CO 0.04 0.75 0.00 -0.24 -1.72 0.00 0.00 179.24 178.06 1ngr n SER 373 N -3.87 0.00 0.01 6.45 2.88 -0.80 -2.08 113.62 116.21 1ngr n SER 373 Ca -0.02 0.01 -0.17 0.00 -1.33 0.00 0.00 58.87 57.36 1ngr n SER 373 Cb 0.60 -0.25 -0.14 0.00 -0.75 0.00 0.00 64.21 63.67 1ngr n SER 373 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1ngr h PHE 374 N 0.00 0.34 -0.00 0.66 0.04 -0.02 -3.32 116.94 114.64 1ngr h PHE 374 Ca 0.00 -0.25 0.00 0.00 2.80 0.00 0.00 57.97 60.52 1ngr h PHE 374 Cb 0.12 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.26 1ngr h PHE 374 CO 0.00 1.46 0.00 -2.37 -0.60 0.00 0.00 178.31 176.80 1ngr n THR 375 N -3.35 0.00 0.11 -1.55 5.66 -0.88 -3.00 114.28 111.27 1ngr n THR 375 Ca -0.24 -0.01 -0.21 0.00 -3.05 0.00 0.00 64.05 60.54 1ngr n THR 375 Cb 1.05 -0.40 -0.13 0.00 -1.55 0.00 0.00 70.33 69.30 1ngr n THR 375 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 175.07 171.28 1ngr h HIS 376 N 0.12 0.89 -3.85 1.09 -0.00 -1.56 -3.44 115.15 108.39 1ngr h HIS 376 Ca 0.00 -0.58 -0.46 0.00 -0.00 0.00 0.00 60.37 59.33 1ngr h HIS 376 Cb 0.03 -0.06 0.16 0.00 -0.00 0.00 0.00 27.41 27.54 1ngr h HIS 376 CO 0.00 1.43 0.19 -1.21 -0.00 0.00 0.00 177.93 178.34 1ngr s GLU 377 N -2.87 0.41 0.27 5.26 0.41 -1.16 -4.91 118.70 116.11 1ngr s GLU 377 Ca -0.08 0.59 -0.07 0.00 -0.41 0.00 0.00 54.97 55.00 1ngr s GLU 377 Cb 0.06 -1.73 0.48 0.00 -1.78 0.00 0.00 34.13 31.16 1ngr s GLU 377 CO 0.92 -2.76 1.58 0.00 -0.49 0.00 0.00 175.26 174.52 1ngr h ALA 378 N -1.92 0.74 -3.00 5.21 0.00 -1.90 -3.35 119.26 115.05 1ngr h ALA 378 Ca -0.54 0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 1ngr h ALA 378 Cb 1.32 0.63 -0.22 0.00 0.00 0.00 0.00 17.79 19.53 1ngr h ALA 378 CO 0.56 -0.43 -0.63 0.00 0.00 0.00 0.00 179.25 178.75 1ngr n PRO 380 N 1.75 0.00 -0.33 0.00 -0.04 -1.18 -3.24 135.00 131.97 1ngr n PRO 380 Ca -0.22 0.22 0.25 0.00 -0.04 0.00 0.00 63.50 63.71 1ngr n PRO 380 Cb 0.56 -1.16 0.48 0.00 -0.04 0.00 0.00 33.50 33.33 1ngr n PRO 380 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ngr h VAL 381 N 0.00 0.10 0.89 0.52 2.07 -1.90 0.35 116.25 118.28 1ngr h VAL 381 Ca 0.00 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1ngr h VAL 381 Cb 0.00 -0.00 0.01 0.00 -1.52 0.00 0.00 31.29 29.78 1ngr h VAL 381 CO 0.00 0.02 -0.43 -0.09 0.02 0.00 0.00 177.57 177.09 1ngr h ARG 382 N 0.10 -1.15 0.00 1.57 2.43 -1.90 -1.91 114.38 113.51 1ngr h ARG 382 Ca 0.75 0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.99 1ngr h ARG 382 Cb 1.81 0.26 0.00 0.00 -0.42 0.00 0.00 29.97 31.62 1ngr h ARG 382 CO -0.75 -0.77 0.00 0.00 -1.51 0.00 0.00 179.97 176.94 1ngr n ALA 383 N -2.69 1.91 -0.03 2.80 0.00 0.04 -2.34 120.51 120.21 1ngr n ALA 383 Ca -0.15 -0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 1ngr n ALA 383 Cb 0.47 -1.37 -0.11 0.00 0.00 0.00 0.00 19.45 18.44 1ngr n ALA 383 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ngr h LEU 384 N 0.00 0.23 -0.10 0.00 5.85 -0.37 -1.19 115.31 119.73 1ngr h LEU 384 Ca 0.00 -0.77 0.00 0.00 0.84 0.00 0.00 57.88 57.95 1ngr h LEU 384 Cb 0.42 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1ngr h LEU 384 CO 0.00 0.97 0.00 -0.07 -0.34 0.00 0.00 178.44 179.00 1ngr h LEU 385 N -0.48 0.00 -0.11 2.25 3.38 -1.18 0.21 115.31 119.38 1ngr h LEU 385 Ca -0.03 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 1ngr h LEU 385 Cb 1.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.77 1ngr h LEU 385 CO 0.05 0.00 -0.73 0.00 0.09 0.00 0.00 178.44 177.85 1ngr h ALA 386 N 2.16 0.24 0.02 1.53 0.00 -1.50 -3.35 119.26 118.36 1ngr h ALA 386 Ca 0.00 -0.59 -0.23 0.00 0.00 0.00 0.00 54.91 54.10 1ngr h ALA 386 Cb 0.88 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1ngr h ALA 386 CO 0.00 0.58 -1.22 1.03 0.00 0.00 0.00 179.25 179.64 1ngr h SER 387 N 0.37 0.07 -0.89 0.00 0.87 -0.53 -3.35 113.55 110.10 1ngr h SER 387 Ca -0.06 -0.63 0.23 0.00 -1.23 0.00 0.00 61.79 60.10 1ngr h SER 387 Cb 1.37 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 63.25 1ngr h SER 387 CO 0.15 1.49 0.61 -0.25 -0.53 0.00 0.00 176.83 178.30 1ngr h TRP 388 N -0.84 0.28 0.00 2.24 7.01 -0.86 -0.58 115.95 123.20 1ngr h TRP 388 Ca -0.32 0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.69 1ngr h TRP 388 Cb 1.39 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 28.36 1ngr h TRP 388 CO 0.12 0.07 0.01 0.41 -2.79 0.00 0.00 178.44 176.25 1ngr n GLY 389 N -1.61 -0.49 0.02 2.65 0.00 -1.26 -1.00 105.19 103.51 1ngr n GLY 389 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1ngr n GLY 389 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngr n ALA 390 N -1.49 2.59 -2.29 4.61 0.00 -0.23 -4.75 120.51 118.95 1ngr n ALA 390 Ca 0.00 -0.14 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 1ngr n ALA 390 Cb 0.01 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.05 1ngr n ALA 390 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ngr s GLN 391 N -3.03 4.13 -0.54 0.00 -0.21 -0.17 -4.95 119.66 114.89 1ngr s GLN 391 Ca 0.12 1.74 -0.27 0.00 0.02 0.00 0.00 55.36 56.98 1ngr s GLN 391 Cb 0.17 -3.86 -0.03 0.00 1.00 0.00 0.00 33.01 30.29 1ngr s GLN 391 CO 0.59 -0.85 1.99 0.34 -2.12 0.00 0.00 175.29 175.23 1ngr s ASP 392 N 2.65 5.16 0.00 5.90 2.15 -1.26 -1.16 116.67 130.11 1ngr s ASP 392 Ca 0.61 0.67 0.00 0.00 0.43 0.00 0.00 52.55 54.26 1ngr s ASP 392 Cb -0.24 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 1ngr s ASP 392 CO 0.21 -2.40 0.00 -1.54 -0.17 0.00 0.00 175.17 171.27 1ngr n SER 393 N 13.14 0.00 -2.18 -0.34 3.41 -1.26 -5.07 113.62 121.32 1ngr n SER 393 Ca 0.25 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.80 1ngr n SER 393 Cb 0.52 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.38 1ngr n SER 393 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ngr n ALA 394 N 0.00 3.85 -1.18 7.33 0.00 -0.31 -4.61 120.51 125.58 1ngr n ALA 394 Ca 0.00 -0.91 -0.31 0.00 0.00 0.00 0.00 53.44 52.22 1ngr n ALA 394 Cb 0.00 -2.21 0.11 0.00 0.00 0.00 0.00 19.45 17.34 1ngr n ALA 394 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ngr s THR 395 N 1.82 3.11 0.61 0.00 -4.23 -1.26 -3.07 115.64 112.62 1ngr s THR 395 Ca 0.33 0.36 0.33 0.00 -1.18 0.00 0.00 61.69 61.53 1ngr s THR 395 Cb 0.16 -2.79 0.37 0.00 1.34 0.00 0.00 72.50 71.59 1ngr s THR 395 CO 0.00 -0.47 2.28 0.25 -0.54 0.00 0.00 174.62 176.14 1ngr h LEU 396 N -1.26 0.00 -1.61 4.79 6.46 -1.03 -0.46 115.31 122.19 1ngr h LEU 396 Ca -0.44 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.31 1ngr h LEU 396 Cb 1.24 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.17 1ngr h LEU 396 CO 0.50 0.00 -0.06 0.44 -0.62 0.00 0.00 178.44 178.70 1ngr h ASP 397 N 0.00 0.00 0.10 1.25 5.19 -1.90 -0.85 116.42 120.20 1ngr h ASP 397 Ca -0.00 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.25 1ngr h ASP 397 Cb 0.00 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.53 1ngr h ASP 397 CO 0.00 0.06 -0.68 0.00 -3.12 0.00 0.00 179.24 175.50 1ngr h ALA 398 N 1.94 -0.05 -0.68 3.45 0.00 -1.33 -1.18 119.26 121.41 1ngr h ALA 398 Ca -0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.21 1ngr h ALA 398 Cb 0.48 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1ngr h ALA 398 CO 0.01 0.33 0.22 1.25 0.00 0.00 0.00 179.25 181.06 1ngr h LEU 399 N -0.37 0.99 -1.07 0.00 6.46 -1.49 -1.23 115.31 118.59 1ngr h LEU 399 Ca -0.11 -0.20 0.02 0.00 -0.12 0.00 0.00 57.88 57.47 1ngr h LEU 399 Cb 1.50 -0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 41.12 1ngr h LEU 399 CO 0.13 0.93 0.63 0.25 -0.62 0.00 0.00 178.44 179.75 1ngr h LEU 400 N 1.00 1.06 -0.06 2.25 6.46 -1.22 -0.08 115.31 124.72 1ngr h LEU 400 Ca 0.22 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.94 1ngr h LEU 400 Cb 0.29 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1ngr h LEU 400 CO -0.01 0.74 -0.03 0.00 -0.62 0.00 0.00 178.44 178.52 1ngr h ALA 401 N 1.43 0.08 -0.95 1.25 0.00 -0.50 -0.63 119.26 119.94 1ngr h ALA 401 Ca 0.36 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ngr h ALA 401 Cb -0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1ngr h ALA 401 CO -0.10 -0.16 0.59 0.00 0.00 0.00 0.00 179.25 179.58 1ngr h ALA 402 N 0.60 1.21 -0.09 0.00 0.00 -1.08 0.35 119.26 120.25 1ngr h ALA 402 Ca 0.01 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ngr h ALA 402 Cb 0.49 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1ngr h ALA 402 CO 0.01 0.65 -0.07 -0.07 0.00 0.00 0.00 179.25 179.77 1ngr h LEU 403 N 1.31 -0.24 -1.16 0.00 3.38 -0.96 -2.53 115.31 115.12 1ngr h LEU 403 Ca 0.34 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.28 1ngr h LEU 403 Cb -0.08 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1ngr h LEU 403 CO -0.07 -0.10 -0.41 -0.09 0.09 0.00 0.00 178.44 177.86 1ngr h ARG 404 N -0.09 0.00 -0.46 1.13 2.43 -0.48 0.47 114.38 117.38 1ngr h ARG 404 Ca 0.06 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.31 1ngr h ARG 404 Cb 0.18 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.66 1ngr h ARG 404 CO -0.15 0.41 0.08 -0.09 -1.51 0.00 0.00 179.97 178.71 1ngr h ARG 405 N 0.00 0.21 -0.85 0.20 2.43 -0.77 -1.71 114.38 113.88 1ngr h ARG 405 Ca -0.00 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1ngr h ARG 405 Cb 0.76 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 1ngr h ARG 405 CO 0.05 0.14 0.03 0.44 -1.51 0.00 0.00 179.97 179.12 1ngr n ILE 406 N -5.12 1.20 -1.31 1.20 -5.35 -0.61 -4.85 119.36 104.52 1ngr n ILE 406 Ca 0.04 -0.59 -0.12 0.00 -0.27 0.00 0.00 62.75 61.82 1ngr n ILE 406 Cb 0.23 -0.45 -0.05 0.00 -1.74 0.00 0.00 39.64 37.62 1ngr n ILE 406 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ngr n GLN 407 N 0.21 -1.38 -1.02 6.28 3.00 -0.64 -4.84 117.38 118.98 1ngr n GLN 407 Ca 0.13 0.75 -0.13 0.00 -0.01 0.00 0.00 57.00 57.74 1ngr n GLN 407 Cb 0.67 -4.96 -0.16 0.00 0.00 0.00 0.00 30.24 25.79 1ngr n GLN 407 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1ngr n ARG 408 N -1.62 2.06 0.27 -1.09 5.12 0.06 -4.42 116.66 117.04 1ngr n ARG 408 Ca -0.12 -1.07 0.16 0.00 -1.93 0.00 0.00 57.85 54.89 1ngr n ARG 408 Cb 0.44 -2.03 0.70 0.00 -1.16 0.00 0.00 32.46 30.41 1ngr n ARG 408 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ngr h ALA 409 N 3.06 1.02 -0.10 7.54 0.00 -1.86 -2.65 119.26 126.28 1ngr h ALA 409 Ca 0.22 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1ngr h ALA 409 Cb 1.46 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 1ngr h ALA 409 CO 0.29 0.06 -0.13 0.38 0.00 0.00 0.00 179.25 179.85 1ngr h ASP 410 N 0.00 -0.40 -0.73 0.00 3.04 -1.96 -0.18 116.42 116.20 1ngr h ASP 410 Ca -0.00 0.07 -0.06 0.00 -3.24 0.00 0.00 57.03 53.80 1ngr h ASP 410 Cb 0.49 0.19 -0.03 0.00 -1.04 0.00 0.00 39.33 38.94 1ngr h ASP 410 CO 0.01 -0.18 0.21 0.40 -2.04 0.00 0.00 179.24 177.64 1ngr h ILE 411 N -0.17 1.26 0.13 4.15 2.04 -1.83 -2.87 117.51 120.22 1ngr h ILE 411 Ca 0.08 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 1ngr h ILE 411 Cb 0.29 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1ngr h ILE 411 CO -0.20 0.37 -0.06 0.58 0.00 0.00 0.00 178.15 178.84 1ngr h VAL 412 N 1.10 0.90 -0.56 1.67 2.07 -1.21 0.13 116.25 120.35 1ngr h VAL 412 Ca 0.23 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 1ngr h VAL 412 Cb 0.34 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1ngr h VAL 412 CO -0.00 0.03 0.29 -0.33 0.02 0.00 0.00 177.57 177.57 1ngr h GLU 413 N -0.22 0.78 -0.36 1.57 3.07 -1.02 0.10 114.58 118.50 1ngr h GLU 413 Ca -0.02 -0.08 -0.14 0.00 -0.50 0.00 0.00 59.36 58.62 1ngr h GLU 413 Cb 0.18 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1ngr h GLU 413 CO 0.03 0.58 -0.31 1.03 -1.40 0.00 0.00 179.01 178.94 1ngr h SER 414 N 0.78 0.90 -0.96 1.42 0.87 -1.31 -2.88 113.55 112.37 1ngr h SER 414 Ca 0.20 -0.45 0.14 0.00 -1.23 0.00 0.00 61.79 60.45 1ngr h SER 414 Cb 0.05 -0.25 -0.08 0.00 -0.44 0.00 0.00 62.40 61.67 1ngr h SER 414 CO -0.03 1.16 0.61 -0.07 -0.53 0.00 0.00 176.83 177.97 1ngr h LEU 415 N 0.64 0.80 -0.60 2.23 3.38 0.14 -1.90 115.31 119.99 1ngr h LEU 415 Ca 0.06 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ngr h LEU 415 Cb 0.89 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1ngr h LEU 415 CO 0.08 0.39 0.37 0.00 0.09 0.00 0.00 178.44 179.37 1ngr n SER 417 N -4.63 -2.75 0.00 0.00 2.88 -0.77 -5.11 113.62 103.25 1ngr n SER 417 Ca 0.04 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.29 1ngr n SER 417 Cb 0.05 2.65 0.00 0.00 -0.75 0.00 0.00 64.21 66.15 1ngr n SER 417 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02