#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 5.23 1.43 1.61 -0.87 -1.26 -4.85 114.94 116.23 1ngr s ASN 335 Ca 0.00 1.12 -0.22 0.00 -1.57 0.00 0.00 52.86 52.19 1ngr s ASN 335 Cb 0.00 -1.88 0.37 0.00 -0.02 0.00 0.00 41.25 39.72 1ngr s ASN 335 CO 0.00 -1.48 0.92 -0.76 -2.57 0.00 0.00 177.10 173.21 1ngr s LEU 336 N -5.44 -1.13 -0.20 0.60 1.43 -1.26 -0.99 118.68 111.70 1ngr s LEU 336 Ca 0.59 0.94 -0.15 0.00 -1.03 0.00 0.00 54.13 54.48 1ngr s LEU 336 Cb -0.11 -2.38 -0.09 0.00 0.03 0.00 0.00 46.19 43.64 1ngr s LEU 336 CO 0.52 -5.41 -0.17 0.00 0.23 0.00 0.00 176.35 171.52 1ngr n TYR 337 N -5.68 0.51 0.00 0.29 4.19 -1.26 -3.65 117.16 111.57 1ngr n TYR 337 Ca 0.12 0.22 0.00 0.00 3.31 0.00 0.00 57.90 61.55 1ngr n TYR 337 Cb 0.60 -0.83 0.00 0.00 0.49 0.00 0.00 39.34 39.60 1ngr n TYR 337 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1ngr n SER 338 N -4.46 0.00 -0.27 2.98 7.64 -1.26 -1.24 113.62 117.01 1ngr n SER 338 Ca -0.25 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.67 1ngr n SER 338 Cb 0.56 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.94 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 0.50 -2.11 6.43 0.87 -1.95 -3.30 113.55 113.99 1ngr h SER 339 Ca 0.00 0.07 -0.58 0.00 -1.23 0.00 0.00 61.79 60.05 1ngr h SER 339 Cb 0.00 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1ngr h SER 339 CO 0.00 0.26 1.46 -0.76 -0.53 0.00 0.00 176.83 177.25 1ngr s LEU 340 N -10.34 3.44 0.19 2.23 2.01 -0.37 -4.92 118.68 110.92 1ngr s LEU 340 Ca -0.12 1.70 -0.10 0.00 0.01 0.00 0.00 54.13 55.62 1ngr s LEU 340 Cb 0.20 -3.44 0.11 0.00 0.01 0.00 0.00 46.19 43.06 1ngr s LEU 340 CO 0.77 -1.98 1.73 1.55 1.01 0.00 0.00 176.35 179.44 1ngr h PRO 341 N 14.92 1.05 0.00 1.29 0.13 -1.87 -3.45 132.00 144.07 1ngr h PRO 341 Ca -0.38 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1ngr h PRO 341 Cb 1.23 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1ngr h PRO 341 CO 0.99 0.90 0.00 -0.11 -0.23 0.00 0.00 178.00 179.55 1ngr n LEU 342 N -4.33 0.00 -0.11 1.56 7.94 -1.26 -4.99 117.00 115.80 1ngr n LEU 342 Ca 0.05 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.89 1ngr n LEU 342 Cb 0.21 0.11 0.01 0.00 0.53 0.00 0.00 43.42 44.28 1ngr n LEU 342 CO 0.41 -0.28 0.75 0.71 -1.11 0.00 0.00 177.39 177.87 1ngr h THR 343 N 0.00 0.49 -0.86 1.96 1.35 -2.02 0.63 112.91 114.47 1ngr h THR 343 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1ngr h THR 343 Cb 0.00 0.49 -0.04 0.00 -1.73 0.00 0.00 68.15 66.87 1ngr h THR 343 CO 0.00 0.00 0.52 0.50 -0.25 0.00 0.00 175.52 176.29 1ngr h LYS 344 N -0.09 1.17 0.00 4.72 3.64 -1.97 -0.98 116.57 123.06 1ngr h LYS 344 Ca 0.19 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1ngr h LYS 344 Cb 0.37 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1ngr h LYS 344 CO -0.44 0.82 0.00 0.00 -2.27 0.00 0.00 179.45 177.56 1ngr h ARG 345 N 1.19 0.00 -0.26 1.90 3.08 -1.17 -1.55 114.38 117.57 1ngr h ARG 345 Ca 0.31 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.18 1ngr h ARG 345 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1ngr h ARG 345 CO -0.06 0.00 -0.55 0.93 -1.07 0.00 0.00 179.97 179.22 1ngr h GLU 346 N 0.00 0.83 -0.50 0.04 5.08 -1.07 -1.77 114.58 117.18 1ngr h GLU 346 Ca 0.00 -0.55 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1ngr h GLU 346 Cb 0.06 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1ngr h GLU 346 CO 0.00 1.17 0.30 1.49 -1.00 0.00 0.00 179.01 180.97 1ngr h GLU 347 N 0.59 0.68 -0.09 2.33 4.57 -1.31 -2.07 114.58 119.28 1ngr h GLU 347 Ca 0.00 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 1ngr h GLU 347 Cb 1.16 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.59 1ngr h GLU 347 CO 0.12 0.48 -0.23 0.28 -1.18 0.00 0.00 179.01 178.48 1ngr h VAL 348 N 0.69 1.21 -0.75 0.32 2.07 -1.03 -0.67 116.25 118.10 1ngr h VAL 348 Ca 0.18 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1ngr h VAL 348 Cb -0.02 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1ngr h VAL 348 CO -0.03 0.29 0.46 -0.33 0.02 0.00 0.00 177.57 177.97 1ngr h GLU 349 N 0.14 1.01 -0.27 1.57 5.08 -0.59 0.33 114.58 121.85 1ngr h GLU 349 Ca 0.02 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 1ngr h GLU 349 Cb 0.49 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1ngr h GLU 349 CO 0.03 0.70 -0.43 -0.22 -1.00 0.00 0.00 179.01 178.09 1ngr h LYS 350 N 1.03 0.76 0.00 2.33 3.64 -1.45 -3.22 116.57 119.66 1ngr h LYS 350 Ca 0.27 -0.46 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 1ngr h LYS 350 Cb -0.05 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1ngr h LYS 350 CO -0.05 1.09 -0.07 -0.07 -2.27 0.00 0.00 179.45 178.08 1ngr h LEU 351 N 0.51 0.00 -5.62 5.20 3.38 -0.36 -3.20 115.31 115.22 1ngr h LEU 351 Ca 0.02 -0.22 -0.38 0.00 0.09 0.00 0.00 57.88 57.39 1ngr h LEU 351 Cb 1.03 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.80 1ngr h LEU 351 CO 0.10 0.64 2.45 0.18 0.09 0.00 0.00 178.44 181.90 1ngr n LEU 352 N -4.72 4.46 -4.02 1.67 4.77 0.11 -4.88 117.00 114.38 1ngr n LEU 352 Ca -0.03 -2.75 -0.42 0.00 -0.03 0.00 0.00 56.01 52.78 1ngr n LEU 352 Cb 0.13 -1.05 -0.02 0.00 -2.33 0.00 0.00 43.42 40.16 1ngr n LEU 352 CO 0.08 0.35 -0.20 -3.20 -1.33 0.00 0.00 177.39 173.10 1ngr n ASN 353 N 4.69 -1.86 -3.53 -1.43 2.85 -1.21 -4.30 115.26 110.47 1ngr n ASN 353 Ca 0.42 0.90 -0.39 0.00 -0.11 0.00 0.00 54.58 55.40 1ngr n ASN 353 Cb 0.16 -0.85 -0.05 0.00 1.24 0.00 0.00 39.78 40.28 1ngr n ASN 353 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ngr n GLY 354 N 2.00 2.71 0.00 8.20 0.00 -1.22 -1.47 105.19 115.39 1ngr n GLY 354 Ca 0.14 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 6.79 0.00 -0.00 1.61 2.03 -1.26 -4.95 116.55 120.77 1ngr n ASP 355 Ca 0.48 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.86 1ngr n ASP 355 Cb 0.35 0.00 0.47 0.00 -0.72 0.00 0.00 41.12 41.22 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 1.03 -0.54 5.18 2.02 -1.73 0.20 112.91 119.07 1ngr h THR 356 Ca 0.00 -0.16 0.11 0.00 0.77 0.00 0.00 66.41 67.13 1ngr h THR 356 Cb 0.00 0.53 -0.09 0.00 -1.74 0.00 0.00 68.15 66.86 1ngr h THR 356 CO 0.00 0.08 -0.00 4.11 0.37 0.00 0.00 175.52 180.08 1ngr h TRP 357 N 0.46 -0.04 -0.92 3.16 5.08 -1.44 -2.41 115.95 119.84 1ngr h TRP 357 Ca 0.18 0.04 0.20 0.00 1.08 0.00 0.00 58.89 60.38 1ngr h TRP 357 Cb 0.13 0.10 -0.17 0.00 -3.00 0.00 0.00 29.16 26.22 1ngr h TRP 357 CO -0.00 -0.13 -0.16 0.00 -1.28 0.00 0.00 178.44 176.87 1ngr h ARG 358 N 0.12 0.01 -0.50 0.12 3.08 -1.23 0.35 114.38 116.33 1ngr h ARG 358 Ca 0.27 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1ngr h ARG 358 Cb 0.42 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1ngr h ARG 358 CO -0.45 0.01 0.31 0.45 -1.07 0.00 0.00 179.97 179.22 1ngr h HIS 359 N 0.01 0.64 -0.43 3.04 3.86 -1.49 -2.05 115.15 118.74 1ngr h HIS 359 Ca 0.47 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.66 1ngr h HIS 359 Cb 0.79 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.02 1ngr h HIS 359 CO -0.64 0.43 0.18 1.25 0.86 0.00 0.00 177.93 180.00 1ngr h LEU 360 N 0.67 0.58 -0.48 2.43 5.85 -1.03 -3.25 115.31 120.07 1ngr h LEU 360 Ca 0.18 -0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.84 1ngr h LEU 360 Cb -0.04 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 40.75 1ngr h LEU 360 CO -0.04 0.58 -0.06 0.00 -0.34 0.00 0.00 178.44 178.58 1ngr h ALA 361 N 1.03 0.39 -0.56 1.25 0.00 0.34 -0.47 119.26 121.24 1ngr h ALA 361 Ca 0.14 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1ngr h ALA 361 Cb 0.17 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1ngr h ALA 361 CO -0.01 -0.42 0.15 0.78 0.00 0.00 0.00 179.25 179.75 1ngr h GLY 362 N 0.05 0.95 2.00 0.00 0.00 -1.58 -2.87 103.07 101.63 1ngr h GLY 362 Ca 0.24 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1ngr h GLY 362 CO -0.45 0.54 0.00 0.83 0.00 0.00 0.00 176.54 177.46 1ngr h GLU 363 N 0.79 0.00 -1.04 4.80 4.39 -1.23 -2.24 114.58 120.06 1ngr h GLU 363 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1ngr h GLU 363 Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1ngr h GLU 363 CO -0.00 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.13 1ngr n LEU 364 N -2.97 2.70 -3.26 1.33 4.77 -0.32 -4.84 117.00 114.40 1ngr n LEU 364 Ca 0.00 -1.35 -0.23 0.00 -0.03 0.00 0.00 56.01 54.41 1ngr n LEU 364 Cb 0.27 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1ngr n LEU 364 CO 0.25 0.46 -0.03 0.61 -1.33 0.00 0.00 177.39 177.35 1ngr n GLY 365 N 0.48 -0.49 3.12 -0.72 0.00 -0.84 -4.96 105.19 101.77 1ngr n GLY 365 Ca 0.00 0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.97 3.31 0.92 1.61 2.02 -1.23 -5.09 117.35 115.92 1ngr s TYR 366 Ca 0.37 -2.15 -0.13 0.00 -0.37 0.00 0.00 57.07 54.78 1ngr s TYR 366 Cb -0.19 -2.13 0.01 0.00 -0.40 0.00 0.00 41.96 39.25 1ngr s TYR 366 CO 0.45 -0.85 0.36 1.04 -1.57 0.00 0.00 175.55 174.98 1ngr n GLN 367 N 4.52 -0.18 0.33 -0.62 6.02 -1.26 -4.09 117.38 122.10 1ngr n GLN 367 Ca -0.12 -0.01 0.21 0.00 -0.01 0.00 0.00 57.00 57.07 1ngr n GLN 367 Cb 0.43 -1.80 1.15 0.00 1.02 0.00 0.00 30.24 31.03 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 -1.34 0.00 -0.83 -1.09 0.13 -1.97 0.04 132.00 126.94 1ngr h PRO 368 Ca -0.44 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.72 1ngr h PRO 368 Cb 1.29 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.38 1ngr h PRO 368 CO 0.35 0.00 0.55 0.93 -0.23 0.00 0.00 178.00 179.59 1ngr h GLU 369 N 0.00 1.02 -0.14 0.86 3.07 -1.99 0.12 114.58 117.51 1ngr h GLU 369 Ca 0.00 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 58.76 1ngr h GLU 369 Cb 0.10 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 27.77 1ngr h GLU 369 CO -0.00 0.67 -0.09 0.45 -1.40 0.00 0.00 179.01 178.65 1ngr h HIS 370 N 1.05 0.36 -0.88 4.33 3.86 -1.29 -2.22 115.15 120.35 1ngr h HIS 370 Ca 0.32 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 1ngr h HIS 370 Cb -0.00 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 1ngr h HIS 370 CO -0.00 0.66 0.51 0.82 0.86 0.00 0.00 177.93 180.78 1ngr h ILE 371 N -0.04 1.25 0.10 2.45 2.04 -1.34 0.39 117.51 122.36 1ngr h ILE 371 Ca 0.03 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1ngr h ILE 371 Cb 0.57 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1ngr h ILE 371 CO 0.02 0.27 -0.09 -0.78 0.00 0.00 0.00 178.15 177.58 1ngr h ASP 372 N 1.23 -0.22 0.75 1.72 1.82 -0.81 -1.76 116.42 119.15 1ngr h ASP 372 Ca 0.31 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.97 1ngr h ASP 372 Cb -0.01 0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.07 1ngr h ASP 372 CO -0.05 -0.14 0.00 -1.20 -1.61 0.00 0.00 179.24 176.24 1ngr n SER 373 N -5.20 0.26 0.00 2.28 7.64 -0.63 -1.27 113.62 116.70 1ngr n SER 373 Ca -0.08 0.55 -0.07 0.00 1.01 0.00 0.00 58.87 60.29 1ngr n SER 373 Cb 0.12 -0.61 -0.12 0.00 -1.01 0.00 0.00 64.21 62.59 1ngr n SER 373 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1ngr h PHE 374 N 0.00 0.00 -0.00 1.43 0.04 -0.74 -1.67 116.94 115.99 1ngr h PHE 374 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1ngr h PHE 374 Cb 0.37 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.52 1ngr h PHE 374 CO 0.00 0.91 -0.20 -2.37 -0.60 0.00 0.00 178.31 176.05 1ngr n THR 375 N -3.05 0.00 0.04 -1.55 5.66 -0.47 -2.80 114.28 112.11 1ngr n THR 375 Ca -0.13 -0.01 -0.20 0.00 -3.05 0.00 0.00 64.05 60.66 1ngr n THR 375 Cb 0.99 -0.18 -0.14 0.00 -1.55 0.00 0.00 70.33 69.45 1ngr n THR 375 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 175.07 172.47 1ngr h HIS 376 N 0.05 0.52 -2.18 1.09 3.86 -1.22 -3.47 115.15 113.80 1ngr h HIS 376 Ca 0.00 -0.38 -0.48 0.00 -1.16 0.00 0.00 60.37 58.36 1ngr h HIS 376 Cb 0.48 -0.02 0.24 0.00 1.06 0.00 0.00 27.41 29.17 1ngr h HIS 376 CO 0.00 1.59 -1.39 0.39 0.86 0.00 0.00 177.93 179.38 1ngr n GLU 377 N -3.47 -1.04 -0.15 2.45 -0.58 -0.63 -4.91 120.64 112.31 1ngr n GLU 377 Ca -0.25 -0.29 -0.03 0.00 -0.42 0.00 0.00 57.16 56.18 1ngr n GLU 377 Cb 1.06 -1.54 0.05 0.00 -0.57 0.00 0.00 31.44 30.43 1ngr n GLU 377 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ngr h ALA 378 N -1.74 0.40 -2.69 0.62 0.00 -1.92 -3.39 119.26 110.54 1ngr h ALA 378 Ca -0.49 0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 1ngr h ALA 378 Cb 1.36 0.31 -0.19 0.00 0.00 0.00 0.00 17.79 19.26 1ngr h ALA 378 CO 0.34 -0.42 -0.49 0.00 0.00 0.00 0.00 179.25 178.68 1ngr n PRO 380 N 1.19 0.00 -0.42 0.00 -0.04 -1.12 -2.60 135.00 132.01 1ngr n PRO 380 Ca -0.21 0.22 0.36 0.00 -0.04 0.00 0.00 63.50 63.83 1ngr n PRO 380 Cb 0.57 -1.11 0.63 0.00 -0.04 0.00 0.00 33.50 33.55 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 0.09 0.81 0.52 2.07 -1.89 0.37 116.25 118.22 1ngr h VAL 381 Ca 0.00 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1ngr h VAL 381 Cb 0.00 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 29.79 1ngr h VAL 381 CO 0.00 0.01 -0.39 0.03 0.02 0.00 0.00 177.57 177.24 1ngr h ARG 382 N 0.07 -1.05 0.00 1.57 3.08 -1.87 -2.12 114.38 114.05 1ngr h ARG 382 Ca 0.83 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.96 1ngr h ARG 382 Cb 2.52 0.24 0.00 0.00 0.08 0.00 0.00 29.97 32.81 1ngr h ARG 382 CO -0.50 -0.70 0.00 0.00 -1.07 0.00 0.00 179.97 177.70 1ngr n ALA 383 N -2.69 2.31 -0.01 0.04 0.00 -0.47 -2.96 120.51 116.74 1ngr n ALA 383 Ca -0.14 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.11 1ngr n ALA 383 Cb 0.43 -1.47 -0.10 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.04 -0.20 0.00 5.85 -0.30 -0.63 115.31 119.98 1ngr h LEU 384 Ca 0.00 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1ngr h LEU 384 Cb 0.61 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1ngr h LEU 384 CO 0.00 0.54 0.00 -0.07 -0.34 0.00 0.00 178.44 178.57 1ngr h LEU 385 N -0.66 0.00 -0.25 2.25 3.38 -1.45 0.15 115.31 118.73 1ngr h LEU 385 Ca -0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 1ngr h LEU 385 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1ngr h LEU 385 CO 0.01 0.00 -0.48 0.00 0.09 0.00 0.00 178.44 178.06 1ngr h ALA 386 N 2.03 0.40 0.02 1.53 0.00 -1.49 -3.27 119.26 118.49 1ngr h ALA 386 Ca 0.00 -0.49 -0.23 0.00 0.00 0.00 0.00 54.91 54.19 1ngr h ALA 386 Cb 0.92 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1ngr h ALA 386 CO 0.00 0.56 -1.25 1.03 0.00 0.00 0.00 179.25 179.59 1ngr h SER 387 N 0.52 0.07 -0.56 0.00 0.87 -0.68 -3.29 113.55 110.46 1ngr h SER 387 Ca 0.01 -0.61 0.12 0.00 -1.23 0.00 0.00 61.79 60.08 1ngr h SER 387 Cb 1.08 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.99 1ngr h SER 387 CO 0.11 1.50 0.39 -0.25 -0.53 0.00 0.00 176.83 178.05 1ngr h TRP 388 N -0.85 0.24 0.00 2.24 7.01 -0.94 -2.14 115.95 121.51 1ngr h TRP 388 Ca -0.33 0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.68 1ngr h TRP 388 Cb 1.39 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 28.37 1ngr h TRP 388 CO 0.11 0.10 0.00 0.41 -2.79 0.00 0.00 178.44 176.27 1ngr n GLY 389 N -1.57 -0.43 0.01 2.65 0.00 -1.23 -1.04 105.19 103.57 1ngr n GLY 389 Ca 0.10 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.25 2.89 -1.88 4.61 0.00 -0.80 -4.82 120.51 119.26 1ngr n ALA 390 Ca 0.03 -0.21 -0.41 0.00 0.00 0.00 0.00 53.44 52.85 1ngr n ALA 390 Cb 0.04 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 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 -3.02 4.47 -0.48 0.00 -0.21 -0.21 -4.93 119.66 115.27 1ngr s GLN 391 Ca 0.12 1.99 -0.26 0.00 0.02 0.00 0.00 55.36 57.22 1ngr s GLN 391 Cb 0.17 -3.17 -0.05 0.00 1.00 0.00 0.00 33.01 30.96 1ngr s GLN 391 CO 0.62 -0.07 2.21 0.34 -2.12 0.00 0.00 175.29 176.27 1ngr s ASP 392 N -0.26 4.83 0.00 5.90 2.15 -1.26 -1.89 116.67 126.15 1ngr s ASP 392 Ca 0.50 0.99 0.00 0.00 0.43 0.00 0.00 52.55 54.47 1ngr s ASP 392 Cb -0.35 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.76 1ngr s ASP 392 CO 0.43 -2.59 0.00 -1.54 -0.17 0.00 0.00 175.17 171.29 1ngr n SER 393 N 14.36 0.00 -2.83 -0.34 3.41 -1.26 -5.04 113.62 121.92 1ngr n SER 393 Ca 0.31 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.85 1ngr n SER 393 Cb 0.53 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.99 2.45 -1.32 7.33 0.00 -0.79 -4.58 120.51 122.62 1ngr n ALA 394 Ca 0.00 -0.69 -0.29 0.00 0.00 0.00 0.00 53.44 52.46 1ngr n ALA 394 Cb 0.00 -2.55 0.16 0.00 0.00 0.00 0.00 19.45 17.06 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 3.69 2.04 0.35 0.00 -4.23 -1.26 -4.42 115.64 111.81 1ngr s THR 395 Ca 0.16 0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.72 1ngr s THR 395 Cb 0.05 -2.61 0.27 0.00 1.34 0.00 0.00 72.50 71.56 1ngr s THR 395 CO -0.01 -0.02 1.99 0.25 -0.54 0.00 0.00 174.62 176.30 1ngr h LEU 396 N -1.74 0.71 -0.59 4.79 6.46 -1.28 -1.79 115.31 121.88 1ngr h LEU 396 Ca -0.53 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.22 1ngr h LEU 396 Cb 1.33 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 1ngr h LEU 396 CO 0.59 0.50 0.00 -0.90 -0.62 0.00 0.00 178.44 178.01 1ngr n ASP 397 N -4.45 0.49 -0.06 1.25 5.75 -1.26 -0.70 116.55 117.57 1ngr n ASP 397 Ca 0.08 0.63 -0.13 0.00 -0.01 0.00 0.00 54.79 55.36 1ngr n ASP 397 Cb 0.10 -0.73 -0.12 0.00 -1.03 0.00 0.00 41.12 39.34 1ngr n ASP 397 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ngr h ALA 398 N 2.28 -0.01 -0.42 2.12 0.00 -1.57 -3.21 119.26 118.46 1ngr h ALA 398 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1ngr h ALA 398 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1ngr h ALA 398 CO 0.00 -0.04 0.23 1.25 0.00 0.00 0.00 179.25 180.68 1ngr h LEU 399 N -0.93 0.51 -0.68 0.00 6.46 -1.23 -2.01 115.31 117.43 1ngr h LEU 399 Ca -0.00 -0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.75 1ngr h LEU 399 Cb 0.85 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.61 1ngr h LEU 399 CO 0.00 0.41 0.43 0.25 -0.62 0.00 0.00 178.44 178.91 1ngr h LEU 400 N 0.58 0.70 -0.29 2.25 6.46 -1.02 1.00 115.31 124.99 1ngr h LEU 400 Ca 0.15 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1ngr h LEU 400 Cb 0.02 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.79 1ngr h LEU 400 CO -0.02 0.49 0.09 0.00 -0.62 0.00 0.00 178.44 178.37 1ngr h ALA 401 N 1.29 0.38 -0.85 1.25 0.00 -1.37 -1.35 119.26 118.60 1ngr h ALA 401 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ngr h ALA 401 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1ngr h ALA 401 CO -0.10 0.02 0.54 0.00 0.00 0.00 0.00 179.25 179.71 1ngr h ALA 402 N 0.92 1.34 0.07 0.00 0.00 -0.95 0.09 119.26 120.73 1ngr h ALA 402 Ca 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ngr h ALA 402 Cb 0.25 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ngr h ALA 402 CO -0.00 0.59 -0.03 -0.07 0.00 0.00 0.00 179.25 179.73 1ngr h LEU 403 N 1.17 -0.08 -1.26 0.00 3.38 -0.72 -3.18 115.31 114.62 1ngr h LEU 403 Ca 0.31 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 1ngr h LEU 403 Cb -0.09 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1ngr h LEU 403 CO -0.06 -0.00 -0.36 -0.09 0.09 0.00 0.00 178.44 178.01 1ngr h ARG 404 N -0.15 0.00 -0.68 1.13 2.43 -0.46 -0.09 114.38 116.55 1ngr h ARG 404 Ca -0.01 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.31 1ngr h ARG 404 Cb 0.13 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.56 1ngr h ARG 404 CO 0.02 0.36 0.05 -0.09 -1.51 0.00 0.00 179.97 178.80 1ngr h ARG 405 N 0.00 0.15 -0.72 0.20 2.43 -1.06 -1.27 114.38 114.11 1ngr h ARG 405 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1ngr h ARG 405 Cb 0.67 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1ngr h ARG 405 CO 0.05 0.10 0.00 0.44 -1.51 0.00 0.00 179.97 179.04 1ngr n ILE 406 N -5.26 1.02 -1.85 1.20 -5.35 -0.44 -4.86 119.36 103.82 1ngr n ILE 406 Ca 0.11 -0.56 -0.15 0.00 -0.27 0.00 0.00 62.75 61.88 1ngr n ILE 406 Cb 0.41 -0.28 -0.04 0.00 -1.74 0.00 0.00 39.64 37.98 1ngr n ILE 406 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 1ngr n GLN 407 N 0.30 -1.63 -0.75 6.28 7.27 -0.48 -4.83 117.38 123.54 1ngr n GLN 407 Ca 0.12 0.82 -0.07 0.00 0.07 0.00 0.00 57.00 57.94 1ngr n GLN 407 Cb 0.58 -5.24 -0.09 0.00 2.41 0.00 0.00 30.24 27.89 1ngr n GLN 407 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1ngr n ARG 408 N -2.36 1.50 0.27 3.69 3.00 -0.18 -4.37 116.66 118.22 1ngr n ARG 408 Ca -0.16 -0.55 0.16 0.00 -0.01 0.00 0.00 57.85 57.29 1ngr n ARG 408 Cb 0.55 -1.58 0.69 0.00 0.00 0.00 0.00 32.46 32.13 1ngr n ARG 408 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ngr h ALA 409 N 2.31 1.03 0.22 7.54 0.00 -1.85 -2.49 119.26 126.01 1ngr h ALA 409 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ngr h ALA 409 Cb 1.23 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1ngr h ALA 409 CO 0.14 0.07 -0.23 0.38 0.00 0.00 0.00 179.25 179.61 1ngr h ASP 410 N 0.00 -0.61 -0.48 0.00 3.04 -1.96 0.32 116.42 116.72 1ngr h ASP 410 Ca -0.00 0.06 -0.11 0.00 -3.24 0.00 0.00 57.03 53.74 1ngr h ASP 410 Cb 0.50 0.21 -0.02 0.00 -1.04 0.00 0.00 39.33 38.99 1ngr h ASP 410 CO 0.01 -0.33 -0.11 0.40 -2.04 0.00 0.00 179.24 177.16 1ngr h ILE 411 N -0.48 1.27 -0.10 4.15 2.04 -1.85 -2.66 117.51 119.88 1ngr h ILE 411 Ca 0.00 -1.25 -0.00 0.00 1.00 0.00 0.00 64.86 64.61 1ngr h ILE 411 Cb 0.45 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1ngr h ILE 411 CO -0.06 0.44 0.06 0.58 0.00 0.00 0.00 178.15 179.17 1ngr h VAL 412 N 0.86 1.06 0.00 1.67 2.07 -1.26 0.20 116.25 120.84 1ngr h VAL 412 Ca 0.13 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1ngr h VAL 412 Cb 0.66 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1ngr h VAL 412 CO 0.05 0.05 -0.05 -0.33 0.02 0.00 0.00 177.57 177.30 1ngr h GLU 413 N 0.09 0.00 -0.12 1.57 3.07 -0.87 0.14 114.58 118.46 1ngr h GLU 413 Ca 0.03 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.86 1ngr h GLU 413 Cb 0.03 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1ngr h GLU 413 CO -0.01 0.05 -0.07 1.03 -1.40 0.00 0.00 179.01 178.62 1ngr h SER 414 N 0.00 0.26 -0.92 1.42 0.87 -1.05 -3.13 113.55 111.00 1ngr h SER 414 Ca -0.00 -0.43 0.12 0.00 -1.23 0.00 0.00 61.79 60.25 1ngr h SER 414 Cb 0.10 -0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 61.92 1ngr h SER 414 CO 0.01 0.63 0.59 -0.07 -0.53 0.00 0.00 176.83 177.46 1ngr h LEU 415 N -0.11 0.79 -1.16 2.23 3.38 0.32 0.45 115.31 121.22 1ngr h LEU 415 Ca 0.02 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.17 1ngr h LEU 415 Cb 0.54 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.08 1ngr h LEU 415 CO 0.02 0.44 0.60 0.00 0.09 0.00 0.00 178.44 179.59 1ngr h SER 417 N 0.81 0.00 0.00 0.00 0.02 -1.00 -3.51 113.55 109.88 1ngr h SER 417 Ca 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1ngr h SER 417 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1ngr h SER 417 CO -0.24 0.86 0.00 1.21 -1.14 0.00 0.00 176.83 177.51