#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 -0.63 1.39 1.61 -0.87 -1.26 -5.05 114.94 110.13 1ngr s ASN 335 Ca 0.00 0.74 -0.21 0.00 -1.57 0.00 0.00 52.86 51.82 1ngr s ASN 335 Cb 0.00 0.59 0.36 0.00 -0.02 0.00 0.00 41.25 42.18 1ngr s ASN 335 CO 0.00 -0.54 0.95 -0.76 -2.57 0.00 0.00 177.10 174.18 1ngr s LEU 336 N -1.02 -0.83 -0.21 0.60 2.01 -1.26 -0.26 118.68 117.71 1ngr s LEU 336 Ca -0.09 0.93 -0.01 0.00 0.01 0.00 0.00 54.13 54.98 1ngr s LEU 336 Cb -0.01 -2.42 -0.20 0.00 0.01 0.00 0.00 46.19 43.57 1ngr s LEU 336 CO 0.08 -5.21 -0.02 0.00 1.01 0.00 0.00 176.35 172.21 1ngr n TYR 337 N -5.54 0.44 0.33 0.29 4.19 -0.94 -4.02 117.16 111.90 1ngr n TYR 337 Ca 0.11 0.09 0.21 0.00 3.31 0.00 0.00 57.90 61.63 1ngr n TYR 337 Cb 0.59 -1.06 1.12 0.00 0.49 0.00 0.00 39.34 40.48 1ngr n TYR 337 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 1ngr h SER 338 N 0.02 0.00 -0.83 2.98 4.64 -1.76 -0.63 113.55 117.98 1ngr h SER 338 Ca -0.52 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.88 1ngr h SER 338 Cb 1.95 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.97 1ngr h SER 338 CO -0.03 0.00 0.48 -1.28 -0.87 0.00 0.00 176.83 175.14 1ngr h SER 339 N 0.00 0.71 -2.04 4.97 0.87 -1.91 -3.34 113.55 112.82 1ngr h SER 339 Ca 0.00 0.04 -0.55 0.00 -1.23 0.00 0.00 61.79 60.05 1ngr h SER 339 Cb 0.12 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1ngr h SER 339 CO 0.00 0.42 1.48 -0.76 -0.53 0.00 0.00 176.83 177.44 1ngr s LEU 340 N -10.25 3.43 0.12 2.23 1.43 -0.25 -4.88 118.68 110.51 1ngr s LEU 340 Ca -0.12 1.49 0.24 0.00 -1.03 0.00 0.00 54.13 54.71 1ngr s LEU 340 Cb 0.19 -3.22 0.25 0.00 0.03 0.00 0.00 46.19 43.44 1ngr s LEU 340 CO 0.78 -2.15 1.24 1.55 0.23 0.00 0.00 176.35 178.00 1ngr h PRO 341 N 15.69 0.00 -7.42 1.29 0.13 -1.84 -3.49 132.00 136.36 1ngr h PRO 341 Ca -0.35 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.32 1ngr h PRO 341 Cb 1.23 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.50 1ngr h PRO 341 CO 1.04 0.00 0.27 -1.17 -0.23 0.00 0.00 178.00 177.90 1ngr s LEU 342 N -4.35 1.99 0.00 1.56 2.96 -1.26 -4.87 118.68 114.71 1ngr s LEU 342 Ca 0.05 1.14 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 1ngr s LEU 342 Cb 0.13 -3.47 0.00 0.00 0.50 0.00 0.00 46.19 43.35 1ngr s LEU 342 CO 0.74 -2.67 0.58 1.07 -1.32 0.00 0.00 176.35 174.76 1ngr n THR 343 N -3.86 0.68 -0.34 3.68 5.66 -1.26 -1.70 114.28 117.13 1ngr n THR 343 Ca 0.06 0.26 0.22 0.00 -3.05 0.00 0.00 64.05 61.55 1ngr n THR 343 Cb 0.58 -1.26 0.47 0.00 -1.55 0.00 0.00 70.33 68.56 1ngr n THR 343 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1ngr h LYS 344 N 0.00 0.41 -0.83 1.09 1.63 -1.99 -0.75 116.57 116.13 1ngr h LYS 344 Ca 0.00 -0.02 0.17 0.00 -0.85 0.00 0.00 60.65 59.94 1ngr h LYS 344 Cb 0.19 -0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 31.67 1ngr h LYS 344 CO 0.00 0.27 0.55 0.00 -3.45 0.00 0.00 179.45 176.82 1ngr h ARG 345 N 0.42 0.46 -0.24 1.90 -0.00 -1.66 0.03 114.38 115.29 1ngr h ARG 345 Ca 0.66 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.98 59.98 1ngr h ARG 345 Cb 1.53 -0.10 -0.00 0.00 0.00 0.00 0.00 29.97 31.39 1ngr h ARG 345 CO -0.42 0.31 -0.34 0.93 0.00 0.00 0.00 179.97 180.45 1ngr h GLU 346 N 0.48 0.66 -0.52 0.04 4.39 -1.40 0.86 114.58 119.08 1ngr h GLU 346 Ca 0.42 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1ngr h GLU 346 Cb 0.92 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.58 1ngr h GLU 346 CO -0.16 0.99 0.33 1.49 -1.16 0.00 0.00 179.01 180.51 1ngr h GLU 347 N 0.37 0.70 0.00 2.33 4.81 -1.34 -3.02 114.58 118.43 1ngr h GLU 347 Ca 0.03 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.03 1ngr h GLU 347 Cb 0.92 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 1ngr h GLU 347 CO 0.08 0.48 -0.84 0.28 -0.73 0.00 0.00 179.01 178.27 1ngr h VAL 348 N 0.71 1.48 -0.77 0.32 2.07 0.01 -0.44 116.25 119.65 1ngr h VAL 348 Ca 0.19 -3.02 0.08 0.00 0.82 0.00 0.00 66.70 64.78 1ngr h VAL 348 Cb -0.05 2.68 -0.05 0.00 -1.52 0.00 0.00 31.29 32.35 1ngr h VAL 348 CO -0.04 0.83 0.50 -0.33 0.02 0.00 0.00 177.57 178.55 1ngr h GLU 349 N 0.00 0.73 -0.46 1.57 5.08 -0.77 0.29 114.58 121.02 1ngr h GLU 349 Ca -0.01 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 1ngr h GLU 349 Cb 1.61 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1ngr h GLU 349 CO 0.11 0.49 -0.25 -0.22 -1.00 0.00 0.00 179.01 178.14 1ngr h LYS 350 N 0.76 0.97 0.00 2.33 3.64 -1.25 -3.35 116.57 119.67 1ngr h LYS 350 Ca 0.34 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1ngr h LYS 350 Cb 0.35 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1ngr h LYS 350 CO -0.12 1.10 -0.03 -0.07 -2.27 0.00 0.00 179.45 178.05 1ngr h LEU 351 N 0.83 0.00 -5.51 5.20 3.38 0.22 -3.36 115.31 116.08 1ngr h LEU 351 Ca 0.10 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.62 1ngr h LEU 351 Cb 0.82 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.59 1ngr h LEU 351 CO 0.07 0.45 2.74 0.18 0.09 0.00 0.00 178.44 181.97 1ngr n LEU 352 N -4.40 5.35 -4.63 1.67 4.77 0.90 -4.90 117.00 115.76 1ngr n LEU 352 Ca -0.00 -3.10 -0.29 0.00 -0.03 0.00 0.00 56.01 52.59 1ngr n LEU 352 Cb 0.02 -1.17 0.20 0.00 -2.33 0.00 0.00 43.42 40.14 1ngr n LEU 352 CO 0.01 0.70 0.61 0.21 -1.33 0.00 0.00 177.39 177.59 1ngr s ASN 353 N 3.42 2.17 -0.82 -1.43 3.84 -1.26 -4.23 114.94 116.64 1ngr s ASN 353 Ca 0.45 1.30 -0.19 0.00 0.21 0.00 0.00 52.86 54.63 1ngr s ASN 353 Cb 0.12 -2.00 -0.13 0.00 -0.55 0.00 0.00 41.25 38.69 1ngr s ASN 353 CO -0.02 -3.43 1.97 0.61 -2.79 0.00 0.00 177.10 173.44 1ngr n GLY 354 N -0.55 2.75 0.00 1.21 0.00 -1.26 -2.12 105.19 105.21 1ngr n GLY 354 Ca 0.05 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 6.82 0.00 -0.16 1.61 2.03 -1.26 -4.97 116.55 120.63 1ngr n ASP 355 Ca 0.49 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.80 1ngr n ASP 355 Cb 0.35 0.00 0.28 0.00 -0.72 0.00 0.00 41.12 41.03 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 1.18 -0.39 5.18 2.02 -1.79 -2.02 112.91 117.09 1ngr h THR 356 Ca 0.00 -0.38 0.08 0.00 0.77 0.00 0.00 66.41 66.88 1ngr h THR 356 Cb 0.00 0.25 -0.08 0.00 -1.74 0.00 0.00 68.15 66.58 1ngr h THR 356 CO 0.00 0.18 -0.13 4.11 0.37 0.00 0.00 175.52 180.05 1ngr h TRP 357 N 0.89 -0.30 -0.86 3.16 5.08 -1.60 -2.03 115.95 120.28 1ngr h TRP 357 Ca 0.24 0.04 0.14 0.00 1.08 0.00 0.00 58.89 60.38 1ngr h TRP 357 Cb -0.05 0.19 -0.15 0.00 -3.00 0.00 0.00 29.16 26.15 1ngr h TRP 357 CO 0.00 -0.21 -0.37 0.00 -1.28 0.00 0.00 178.44 176.59 1ngr h ARG 358 N -0.05 -0.05 -0.27 0.12 3.08 -1.65 0.36 114.38 115.92 1ngr h ARG 358 Ca 0.19 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.25 1ngr h ARG 358 Cb 0.34 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1ngr h ARG 358 CO -0.42 -0.03 0.17 0.45 -1.07 0.00 0.00 179.97 179.06 1ngr h HIS 359 N -0.05 0.31 -0.39 3.04 3.86 -1.42 -1.71 115.15 118.79 1ngr h HIS 359 Ca 0.31 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.53 1ngr h HIS 359 Cb 0.58 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 1ngr h HIS 359 CO -0.79 0.19 0.23 1.25 0.86 0.00 0.00 177.93 179.67 1ngr h LEU 360 N 0.34 0.47 -0.52 2.43 5.85 -0.70 -2.61 115.31 120.57 1ngr h LEU 360 Ca 0.10 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.87 1ngr h LEU 360 Cb -0.02 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 40.80 1ngr h LEU 360 CO -0.04 0.39 -0.01 0.00 -0.34 0.00 0.00 178.44 178.44 1ngr h ALA 361 N 1.10 0.49 -0.45 1.25 0.00 0.14 0.69 119.26 122.48 1ngr h ALA 361 Ca 0.14 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1ngr h ALA 361 Cb 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1ngr h ALA 361 CO -0.03 -0.39 0.29 0.78 0.00 0.00 0.00 179.25 179.90 1ngr h GLY 362 N 0.11 0.63 2.00 0.00 0.00 -1.24 -2.26 103.07 102.31 1ngr h GLY 362 Ca 0.26 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1ngr h GLY 362 CO -0.44 0.21 0.00 0.83 0.00 0.00 0.00 176.54 177.14 1ngr h GLU 363 N 0.58 0.00 -0.98 4.80 4.39 -0.80 -2.92 114.58 119.65 1ngr h GLU 363 Ca 0.17 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.71 1ngr h GLU 363 Cb -0.04 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.51 1ngr h GLU 363 CO -0.05 0.00 0.21 1.28 -1.16 0.00 0.00 179.01 179.29 1ngr n LEU 364 N -2.35 4.15 -3.90 1.33 4.77 0.10 -4.87 117.00 116.23 1ngr n LEU 364 Ca 0.00 -2.15 -0.28 0.00 -0.03 0.00 0.00 56.01 53.55 1ngr n LEU 364 Cb 0.15 -0.62 0.01 0.00 -2.33 0.00 0.00 43.42 40.63 1ngr n LEU 364 CO 0.16 0.66 -0.02 0.61 -1.33 0.00 0.00 177.39 177.47 1ngr n GLY 365 N -0.06 -0.39 2.98 -0.72 0.00 -1.10 -5.01 105.19 100.89 1ngr n GLY 365 Ca 0.20 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.51 2.29 0.92 1.61 2.02 -1.24 -5.10 117.35 114.33 1ngr s TYR 366 Ca 0.38 -1.48 -0.13 0.00 -0.37 0.00 0.00 57.07 55.47 1ngr s TYR 366 Cb -0.20 -1.59 0.02 0.00 -0.40 0.00 0.00 41.96 39.79 1ngr s TYR 366 CO 0.85 -0.72 0.36 1.04 -1.57 0.00 0.00 175.55 175.51 1ngr n GLN 367 N 4.72 -0.20 0.07 -0.62 6.02 -1.26 -4.20 117.38 121.91 1ngr n GLN 367 Ca -0.15 -0.02 0.20 0.00 -0.01 0.00 0.00 57.00 57.02 1ngr n GLN 367 Cb 0.47 -1.81 0.74 0.00 1.02 0.00 0.00 30.24 30.66 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 -1.39 0.00 -0.80 -1.09 0.13 -1.97 -0.56 132.00 126.33 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 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 1ngr h PRO 368 CO 0.35 0.00 0.52 0.93 -0.23 0.00 0.00 178.00 179.57 1ngr h GLU 369 N 0.00 0.96 -0.43 0.86 3.07 -2.01 -1.54 114.58 115.49 1ngr h GLU 369 Ca 0.20 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 58.87 1ngr h GLU 369 Cb 0.94 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 1ngr h GLU 369 CO -0.00 0.64 -0.26 0.45 -1.40 0.00 0.00 179.01 178.43 1ngr h HIS 370 N 0.99 1.07 -0.26 4.33 3.86 -1.41 -2.52 115.15 121.20 1ngr h HIS 370 Ca 0.31 -0.27 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1ngr h HIS 370 Cb 0.02 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 1ngr h HIS 370 CO -0.00 1.08 0.15 0.82 0.86 0.00 0.00 177.93 180.83 1ngr h ILE 371 N 0.79 1.12 -0.43 2.45 1.08 -1.29 -0.01 117.51 121.22 1ngr h ILE 371 Ca 0.09 -0.31 -0.04 0.00 -0.39 0.00 0.00 64.86 64.22 1ngr h ILE 371 Cb 0.83 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 35.41 1ngr h ILE 371 CO 0.07 0.12 0.11 -0.78 -0.69 0.00 0.00 178.15 176.98 1ngr h ASP 372 N 0.32 0.64 0.22 1.72 3.58 -1.54 -2.77 116.42 118.58 1ngr h ASP 372 Ca 0.09 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1ngr h ASP 372 Cb 0.06 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.94 1ngr h ASP 372 CO -0.02 0.69 0.00 -0.24 -2.88 0.00 0.00 179.24 176.80 1ngr n SER 373 N -4.55 0.00 -0.08 2.28 2.88 -0.83 -2.24 113.62 111.08 1ngr n SER 373 Ca 0.00 0.01 -0.06 0.00 -1.33 0.00 0.00 58.87 57.49 1ngr n SER 373 Cb 0.20 -0.24 -0.16 0.00 -0.75 0.00 0.00 64.21 63.26 1ngr n SER 373 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1ngr n PHE 374 N -1.24 0.00 1.91 0.66 3.72 -0.08 -4.19 117.46 118.23 1ngr n PHE 374 Ca 0.07 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.60 1ngr n PHE 374 Cb 0.10 -0.89 0.76 0.00 -0.94 0.00 0.00 39.48 38.51 1ngr n PHE 374 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1ngr n THR 375 N -2.65 0.00 0.11 4.37 5.66 -0.95 -3.74 114.28 117.08 1ngr n THR 375 Ca -0.28 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.52 1ngr n THR 375 Cb 1.05 -0.44 -0.13 0.00 -1.55 0.00 0.00 70.33 69.25 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 0.00 0.86 -3.46 1.09 3.86 -1.72 -3.46 115.15 112.32 1ngr h HIS 376 Ca 0.00 -0.57 -0.45 0.00 -1.16 0.00 0.00 60.37 58.19 1ngr h HIS 376 Cb 0.00 -0.05 0.20 0.00 1.06 0.00 0.00 27.41 28.61 1ngr h HIS 376 CO 0.00 1.43 0.06 -1.21 0.86 0.00 0.00 177.93 179.07 1ngr s GLU 377 N -2.83 -0.52 0.24 2.45 8.01 -1.24 -4.91 118.70 119.89 1ngr s GLU 377 Ca -0.08 0.81 -0.09 0.00 0.01 0.00 0.00 54.97 55.62 1ngr s GLU 377 Cb 0.06 -1.60 0.39 0.00 -4.31 0.00 0.00 34.13 28.67 1ngr s GLU 377 CO 0.92 -3.45 1.62 0.00 0.01 0.00 0.00 175.26 174.36 1ngr h ALA 378 N -2.42 0.67 -3.13 5.21 0.00 -1.92 -3.38 119.26 114.30 1ngr h ALA 378 Ca -0.59 0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 1ngr h ALA 378 Cb 1.33 0.49 -0.23 0.00 0.00 0.00 0.00 17.79 19.38 1ngr h ALA 378 CO 0.51 -0.43 -0.67 0.00 0.00 0.00 0.00 179.25 178.67 1ngr n PRO 380 N 1.96 0.00 -0.33 0.00 -0.04 -1.25 -3.67 135.00 131.68 1ngr n PRO 380 Ca -0.21 0.33 0.28 0.00 -0.04 0.00 0.00 63.50 63.86 1ngr n PRO 380 Cb 0.56 -1.25 0.52 0.00 -0.04 0.00 0.00 33.50 33.30 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 0.88 0.52 2.07 -1.90 0.28 116.25 118.20 1ngr h VAL 381 Ca 0.00 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1ngr h VAL 381 Cb 0.00 -0.01 0.01 0.00 -1.52 0.00 0.00 31.29 29.77 1ngr h VAL 381 CO 0.00 0.02 -0.42 0.03 0.02 0.00 0.00 177.57 177.22 1ngr h ARG 382 N 0.10 -1.14 0.00 1.57 3.08 -1.87 -2.26 114.38 113.86 1ngr h ARG 382 Ca 0.79 0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.91 1ngr h ARG 382 Cb 1.96 0.26 0.00 0.00 0.08 0.00 0.00 29.97 32.27 1ngr h ARG 382 CO -0.73 -0.76 0.00 0.00 -1.07 0.00 0.00 179.97 177.41 1ngr n ALA 383 N -2.63 2.02 -0.02 0.04 0.00 0.13 -2.69 120.51 117.35 1ngr n ALA 383 Ca -0.15 -0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 1ngr n ALA 383 Cb 0.47 -1.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.03 -0.05 0.00 5.85 -0.53 -0.88 115.31 119.67 1ngr h LEU 384 Ca 0.00 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.10 1ngr h LEU 384 Cb 0.48 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1ngr h LEU 384 CO 0.00 0.62 0.00 -0.07 -0.34 0.00 0.00 178.44 178.65 1ngr h LEU 385 N -0.71 0.00 -0.16 2.25 3.38 -1.38 0.14 115.31 118.83 1ngr h LEU 385 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 1ngr h LEU 385 Cb 0.65 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.40 1ngr h LEU 385 CO 0.01 0.00 -0.64 0.00 0.09 0.00 0.00 178.44 177.90 1ngr h ALA 386 N 2.12 0.29 0.01 1.53 0.00 -1.50 -3.10 119.26 118.61 1ngr h ALA 386 Ca 0.00 -0.55 -0.21 0.00 0.00 0.00 0.00 54.91 54.15 1ngr h ALA 386 Cb 0.92 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1ngr h ALA 386 CO 0.00 0.57 -1.16 1.03 0.00 0.00 0.00 179.25 179.69 1ngr h SER 387 N 0.42 0.05 -0.98 0.00 0.87 -0.72 -2.84 113.55 110.34 1ngr h SER 387 Ca -0.03 -0.61 0.09 0.00 -1.23 0.00 0.00 61.79 60.01 1ngr h SER 387 Cb 1.27 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 63.14 1ngr h SER 387 CO 0.13 1.46 0.63 -0.25 -0.53 0.00 0.00 176.83 178.27 1ngr h TRP 388 N -0.90 1.13 0.00 2.24 7.01 -0.97 -1.54 115.95 122.92 1ngr h TRP 388 Ca -0.31 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.72 1ngr h TRP 388 Cb 1.34 -0.37 0.00 0.00 -2.10 0.00 0.00 29.16 28.03 1ngr h TRP 388 CO 0.12 0.52 0.00 0.41 -2.79 0.00 0.00 178.44 176.70 1ngr n GLY 389 N -1.37 -0.54 0.06 2.65 0.00 -1.17 -1.43 105.19 103.39 1ngr n GLY 389 Ca 0.17 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.26 2.88 -2.34 4.61 0.00 -0.58 -4.34 120.51 119.49 1ngr n ALA 390 Ca 0.04 -0.22 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 1ngr n ALA 390 Cb 0.07 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.27 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 -3.13 4.13 -0.55 0.00 -0.21 -0.51 -4.95 119.66 114.43 1ngr s GLN 391 Ca 0.08 1.66 -0.27 0.00 0.02 0.00 0.00 55.36 56.85 1ngr s GLN 391 Cb 0.14 -3.84 -0.03 0.00 1.00 0.00 0.00 33.01 30.29 1ngr s GLN 391 CO 0.69 -0.85 1.90 0.34 -2.12 0.00 0.00 175.29 175.26 1ngr s ASP 392 N 2.50 5.29 0.00 5.90 2.15 -1.26 -0.96 116.67 130.28 1ngr s ASP 392 Ca 0.59 0.56 0.00 0.00 0.43 0.00 0.00 52.55 54.13 1ngr s ASP 392 Cb -0.23 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 1ngr s ASP 392 CO 0.19 -2.32 0.00 -1.54 -0.17 0.00 0.00 175.17 171.33 1ngr n SER 393 N 12.66 0.00 -3.33 -0.34 3.41 -1.26 -5.07 113.62 119.69 1ngr n SER 393 Ca 0.22 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.55 1ngr n SER 393 Cb 0.51 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 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 3.78 -1.29 7.33 0.00 -0.14 -4.78 120.51 125.40 1ngr n ALA 394 Ca 0.00 -2.31 -0.32 0.00 0.00 0.00 0.00 53.44 50.81 1ngr n ALA 394 Cb 0.00 -3.21 0.08 0.00 0.00 0.00 0.00 19.45 16.33 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 4.22 3.16 0.40 0.00 -4.23 -1.26 -2.22 115.64 115.70 1ngr s THR 395 Ca 0.43 0.43 0.21 0.00 -1.18 0.00 0.00 61.69 61.58 1ngr s THR 395 Cb 0.11 -2.89 0.22 0.00 1.34 0.00 0.00 72.50 71.28 1ngr s THR 395 CO 0.04 -0.44 1.99 0.25 -0.54 0.00 0.00 174.62 175.92 1ngr h LEU 396 N -0.82 0.00 -1.57 4.79 6.46 -0.76 -2.05 115.31 121.36 1ngr h LEU 396 Ca -0.45 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.30 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 0.51 0.19 -0.08 0.44 -0.62 0.00 0.00 178.44 178.89 1ngr h ASP 397 N 0.00 0.00 0.00 1.25 5.19 -1.91 0.15 116.42 121.10 1ngr h ASP 397 Ca -0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ngr h ASP 397 Cb 0.42 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1ngr h ASP 397 CO 0.02 0.08 -0.00 0.00 -3.12 0.00 0.00 179.24 176.22 1ngr h ALA 398 N 1.92 -0.00 -0.82 3.45 0.00 -1.68 -2.02 119.26 120.11 1ngr h ALA 398 Ca -0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1ngr h ALA 398 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1ngr h ALA 398 CO 0.01 -0.03 0.40 1.25 0.00 0.00 0.00 179.25 180.88 1ngr h LEU 399 N -0.94 1.07 -0.63 0.00 6.46 -1.20 0.15 115.31 120.21 1ngr h LEU 399 Ca -0.00 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.62 1ngr h LEU 399 Cb 0.93 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.55 1ngr h LEU 399 CO 0.00 0.90 0.36 0.25 -0.62 0.00 0.00 178.44 179.33 1ngr h LEU 400 N 1.16 0.78 -0.44 2.25 6.46 -0.81 0.99 115.31 125.69 1ngr h LEU 400 Ca 0.28 -0.08 -0.10 0.00 -0.12 0.00 0.00 57.88 57.86 1ngr h LEU 400 Cb 0.11 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.83 1ngr h LEU 400 CO -0.04 0.63 -0.13 0.00 -0.62 0.00 0.00 178.44 178.29 1ngr h ALA 401 N 1.18 0.62 -0.35 1.25 0.00 -0.83 -0.04 119.26 121.08 1ngr h ALA 401 Ca 0.22 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ngr h ALA 401 Cb 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1ngr h ALA 401 CO -0.04 0.52 0.23 0.00 0.00 0.00 0.00 179.25 179.96 1ngr h ALA 402 N 0.86 0.44 -0.86 0.00 0.00 -0.76 -1.88 119.26 117.05 1ngr h ALA 402 Ca 0.11 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.13 1ngr h ALA 402 Cb 0.68 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 1ngr h ALA 402 CO 0.05 -0.11 0.47 -0.07 0.00 0.00 0.00 179.25 179.60 1ngr h LEU 403 N 0.46 0.62 -1.81 0.00 3.38 -0.58 -0.44 115.31 116.95 1ngr h LEU 403 Ca 0.13 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1ngr h LEU 403 Cb -0.05 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1ngr h LEU 403 CO -0.03 0.30 -0.13 -0.09 0.09 0.00 0.00 178.44 178.58 1ngr h ARG 404 N 0.72 0.00 -0.47 1.13 9.65 -0.28 -0.09 114.38 125.05 1ngr h ARG 404 Ca 0.45 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 59.22 1ngr h ARG 404 Cb 0.56 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.12 1ngr h ARG 404 CO -0.32 0.13 -0.14 0.00 2.80 0.00 0.00 179.97 182.44 1ngr h ARG 405 N 0.00 0.88 -0.46 0.20 3.08 -0.32 -1.19 114.38 116.57 1ngr h ARG 405 Ca -0.00 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1ngr h ARG 405 Cb 0.25 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1ngr h ARG 405 CO 0.02 0.96 0.00 0.44 -1.07 0.00 0.00 179.97 180.32 1ngr n ILE 406 N -4.14 0.62 -1.28 2.04 -0.00 -0.98 -4.89 119.36 110.73 1ngr n ILE 406 Ca 0.01 -0.46 -0.11 0.00 -0.00 0.00 0.00 62.75 62.19 1ngr n ILE 406 Cb 0.40 0.02 -0.05 0.00 -0.00 0.00 0.00 39.64 40.02 1ngr n ILE 406 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1ngr n GLN 407 N 0.35 -1.38 -1.35 6.28 6.02 -0.45 -4.85 117.38 122.00 1ngr n GLN 407 Ca 0.11 0.71 -0.38 0.00 -0.01 0.00 0.00 57.00 57.42 1ngr n GLN 407 Cb 0.37 -4.89 -0.03 0.00 1.02 0.00 0.00 30.24 26.71 1ngr n GLN 407 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ngr n ARG 408 N -1.54 3.73 0.25 -1.09 5.12 -0.13 -4.54 116.66 118.45 1ngr n ARG 408 Ca -0.11 -2.26 0.14 0.00 -1.93 0.00 0.00 57.85 53.69 1ngr n ARG 408 Cb 0.41 -2.76 0.47 0.00 -1.16 0.00 0.00 32.46 29.42 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 4.91 0.99 -0.98 7.54 0.00 -1.89 -2.77 119.26 127.07 1ngr h ALA 409 Ca 0.85 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.89 1ngr h ALA 409 Cb 0.32 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 1ngr h ALA 409 CO 1.72 0.05 0.61 0.38 0.00 0.00 0.00 179.25 182.01 1ngr h ASP 410 N 0.00 0.76 0.37 0.00 2.03 -1.97 0.31 116.42 117.93 1ngr h ASP 410 Ca -0.00 0.07 -0.22 0.00 -0.73 0.00 0.00 57.03 56.15 1ngr h ASP 410 Cb 0.72 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.15 1ngr h ASP 410 CO 0.00 0.33 -0.92 0.40 -1.03 0.00 0.00 179.24 178.02 1ngr h ILE 411 N 0.77 1.42 0.38 4.15 2.04 -1.84 -3.05 117.51 121.37 1ngr h ILE 411 Ca 0.53 -2.46 -0.02 0.00 1.00 0.00 0.00 64.86 63.91 1ngr h ILE 411 Cb 0.81 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 1ngr h ILE 411 CO -0.30 0.73 -0.18 0.58 0.00 0.00 0.00 178.15 178.98 1ngr h VAL 412 N 0.21 0.64 -0.86 1.67 2.07 -1.05 0.19 116.25 119.12 1ngr h VAL 412 Ca -0.07 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1ngr h VAL 412 Cb 1.56 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 1ngr h VAL 412 CO 0.16 0.02 0.50 1.05 0.02 0.00 0.00 177.57 179.32 1ngr h GLU 413 N -0.57 1.18 0.00 1.57 4.11 -1.15 -2.26 114.58 117.47 1ngr h GLU 413 Ca -0.05 -0.12 -0.15 0.00 0.07 0.00 0.00 59.36 59.11 1ngr h GLU 413 Cb 0.42 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1ngr h GLU 413 CO 0.08 0.84 -0.71 1.03 0.07 0.00 0.00 179.01 180.33 1ngr h SER 414 N 1.19 0.00 -0.96 3.06 0.87 -1.48 0.20 113.55 116.43 1ngr h SER 414 Ca 0.31 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 61.02 1ngr h SER 414 Cb -0.02 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 61.85 1ngr h SER 414 CO -0.05 0.71 0.61 -0.07 -0.53 0.00 0.00 176.83 177.49 1ngr h LEU 415 N 0.00 0.77 0.06 2.23 3.38 -0.01 -2.35 115.31 119.39 1ngr h LEU 415 Ca -0.01 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ngr h LEU 415 Cb 1.38 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1ngr h LEU 415 CO 0.09 0.37 -0.03 0.00 0.09 0.00 0.00 178.44 178.96 1ngr n SER 417 N -4.23 0.00 0.00 0.00 7.64 0.04 -5.12 113.62 111.95 1ngr n SER 417 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1ngr n SER 417 Cb 0.03 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1ngr n SER 417 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24