#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 6.40 1.42 1.61 -0.87 -1.26 -4.97 114.94 117.27 1ngr s ASN 335 Ca 0.00 -1.51 -0.22 0.00 -1.57 0.00 0.00 52.86 49.55 1ngr s ASN 335 Cb 0.00 -2.57 0.35 0.00 -0.02 0.00 0.00 41.25 39.01 1ngr s ASN 335 CO 0.00 -1.60 0.86 0.18 -2.57 0.00 0.00 177.10 173.96 1ngr n LEU 336 N 9.38 0.00 -0.07 0.60 4.77 -1.26 -4.21 117.00 126.21 1ngr n LEU 336 Ca 0.36 -0.88 -0.08 0.00 -0.03 0.00 0.00 56.01 55.38 1ngr n LEU 336 Cb 0.50 -0.94 0.08 0.00 -2.33 0.00 0.00 43.42 40.74 1ngr n LEU 336 CO 0.67 -2.65 0.66 0.22 -1.33 0.00 0.00 177.39 174.97 1ngr h TYR 337 N -3.39 0.85 0.00 -1.77 5.03 -1.66 -1.24 116.97 114.79 1ngr h TYR 337 Ca -0.37 -0.21 0.00 0.00 2.58 0.00 0.00 58.73 60.73 1ngr h TYR 337 Cb 1.24 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 39.32 1ngr h TYR 337 CO 0.00 0.93 0.00 0.45 -1.32 0.00 0.00 178.16 178.22 1ngr n SER 338 N -4.09 0.00 -0.27 -2.11 2.88 -1.11 -3.61 113.62 105.31 1ngr n SER 338 Ca -0.01 0.40 -0.03 0.00 -1.33 0.00 0.00 58.87 57.90 1ngr n SER 338 Cb 0.46 -0.45 0.13 0.00 -0.75 0.00 0.00 64.21 63.60 1ngr n SER 338 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1ngr h SER 339 N 0.00 1.02 -1.87 -3.46 0.87 -1.46 -3.33 113.55 105.32 1ngr h SER 339 Ca 0.00 -0.10 -0.52 0.00 -1.23 0.00 0.00 61.79 59.94 1ngr h SER 339 Cb 0.25 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1ngr h SER 339 CO 0.00 0.84 1.53 -0.22 -0.53 0.00 0.00 176.83 178.45 1ngr s LEU 340 N -9.78 3.41 0.00 2.23 0.20 -1.24 -4.91 118.68 108.59 1ngr s LEU 340 Ca -0.12 1.29 0.26 0.00 0.69 0.00 0.00 54.13 56.25 1ngr s LEU 340 Cb 0.17 -2.93 0.93 0.00 -0.43 0.00 0.00 46.19 43.93 1ngr s LEU 340 CO 0.82 -2.43 1.67 -0.81 -0.29 0.00 0.00 176.35 175.31 1ngr n PRO 341 N 8.90 1.72 -4.55 0.98 -0.04 -1.25 -4.83 135.00 135.93 1ngr n PRO 341 Ca 0.32 -1.06 -0.26 0.00 -0.04 0.00 0.00 63.50 62.46 1ngr n PRO 341 Cb 0.51 -1.46 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.89 2.67 0.00 1.53 1.98 -1.26 -5.01 118.68 116.70 1ngr s LEU 342 Ca 0.36 -1.33 0.00 0.00 -2.89 0.00 0.00 54.13 50.28 1ngr s LEU 342 Cb 0.20 -0.78 0.00 0.00 0.66 0.00 0.00 46.19 46.27 1ngr s LEU 342 CO 0.32 -0.43 0.71 0.41 -1.89 0.00 0.00 176.35 175.46 1ngr n THR 343 N -0.84 0.85 -0.31 3.68 -1.04 -1.26 -0.70 114.28 114.66 1ngr n THR 343 Ca -0.04 0.49 0.11 0.00 -2.04 0.00 0.00 64.05 62.57 1ngr n THR 343 Cb 0.66 -1.49 0.33 0.00 -1.82 0.00 0.00 70.33 68.01 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 0.76 -0.62 -2.82 1.63 -1.96 0.72 116.57 114.29 1ngr h LYS 344 Ca 0.00 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1ngr h LYS 344 Cb 0.56 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.99 1ngr h LYS 344 CO 0.00 0.51 0.38 0.00 -3.45 0.00 0.00 179.45 176.89 1ngr h ARG 345 N 0.79 0.83 -0.25 1.90 2.47 -1.23 0.49 114.38 119.38 1ngr h ARG 345 Ca 0.48 -0.06 -0.16 0.00 -1.26 0.00 0.00 59.98 58.97 1ngr h ARG 345 Cb 0.69 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1ngr h ARG 345 CO -0.25 0.58 -0.49 0.93 0.56 0.00 0.00 179.97 181.31 1ngr h GLU 346 N 0.85 0.77 0.00 0.04 5.08 -1.42 -1.12 114.58 118.77 1ngr h GLU 346 Ca 0.22 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1ngr h GLU 346 Cb -0.05 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1ngr h GLU 346 CO -0.04 1.12 0.00 1.49 -1.00 0.00 0.00 179.01 180.57 1ngr h GLU 347 N 0.51 0.00 0.00 2.33 4.81 -0.66 -0.49 114.58 121.08 1ngr h GLU 347 Ca 0.01 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.03 1ngr h GLU 347 Cb 1.09 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 1ngr h GLU 347 CO 0.11 0.00 -1.05 0.28 -0.73 0.00 0.00 179.01 177.62 1ngr h VAL 348 N 0.00 1.49 -0.28 0.32 2.07 -0.24 -3.24 116.25 116.36 1ngr h VAL 348 Ca 0.00 -3.17 0.08 0.00 0.82 0.00 0.00 66.70 64.43 1ngr h VAL 348 Cb 0.08 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 1ngr h VAL 348 CO 0.00 0.85 0.22 -0.33 0.02 0.00 0.00 177.57 178.33 1ngr h GLU 349 N 0.00 0.00 -0.39 1.57 5.08 0.15 0.30 114.58 121.29 1ngr h GLU 349 Ca -0.05 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 1ngr h GLU 349 Cb 1.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.99 1ngr h GLU 349 CO 0.11 0.00 -0.26 -0.22 -1.00 0.00 0.00 179.01 177.64 1ngr h LYS 350 N 0.00 0.81 0.00 2.33 3.64 -1.54 -3.30 116.57 118.51 1ngr h LYS 350 Ca 0.13 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1ngr h LYS 350 Cb 0.58 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1ngr h LYS 350 CO -0.00 0.98 -0.06 -0.07 -2.27 0.00 0.00 179.45 178.02 1ngr h LEU 351 N 0.69 0.00 -5.43 5.20 3.38 -0.92 -3.37 115.31 114.86 1ngr h LEU 351 Ca 0.09 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.54 1ngr h LEU 351 Cb 0.79 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.56 1ngr h LEU 351 CO 0.07 0.45 3.01 0.18 0.09 0.00 0.00 178.44 182.23 1ngr n LEU 352 N -4.29 6.17 -4.55 1.67 4.77 0.81 -4.89 117.00 116.69 1ngr n LEU 352 Ca -0.01 -3.43 -0.28 0.00 -0.03 0.00 0.00 56.01 52.26 1ngr n LEU 352 Cb 0.03 -1.28 0.23 0.00 -2.33 0.00 0.00 43.42 40.08 1ngr n LEU 352 CO 0.01 1.02 0.55 0.54 -1.33 0.00 0.00 177.39 178.18 1ngr s ASN 353 N 3.15 1.40 -0.53 -1.43 4.22 -1.24 -4.27 114.94 116.24 1ngr s ASN 353 Ca 0.51 1.34 -0.22 0.00 -2.14 0.00 0.00 52.86 52.35 1ngr s ASN 353 Cb 0.13 -2.09 -0.20 0.00 1.28 0.00 0.00 41.25 40.37 1ngr s ASN 353 CO -0.03 -3.91 1.80 0.61 -2.04 0.00 0.00 177.10 173.53 1ngr n GLY 354 N 0.12 2.00 0.00 0.45 0.00 -1.26 -1.65 105.19 104.86 1ngr n GLY 354 Ca 0.03 -1.08 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 7.50 0.00 -0.34 1.61 -0.08 -1.26 -4.98 116.55 119.00 1ngr n ASP 355 Ca 0.46 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.78 1ngr n ASP 355 Cb 0.37 0.00 0.22 0.00 2.34 0.00 0.00 41.12 44.05 1ngr n ASP 355 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1ngr h THR 356 N 0.00 1.04 -0.13 5.18 2.02 -1.82 -0.23 112.91 118.96 1ngr h THR 356 Ca 0.00 -0.37 0.05 0.00 0.77 0.00 0.00 66.41 66.86 1ngr h THR 356 Cb 0.00 -0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 66.23 1ngr h THR 356 CO 0.00 0.19 -0.30 4.11 0.37 0.00 0.00 175.52 179.90 1ngr h TRP 357 N 1.07 -0.82 -0.86 3.16 5.08 -1.49 -0.94 115.95 121.14 1ngr h TRP 357 Ca 0.43 0.04 0.13 0.00 1.08 0.00 0.00 58.89 60.56 1ngr h TRP 357 Cb 0.26 0.38 -0.14 0.00 -3.00 0.00 0.00 29.16 26.66 1ngr h TRP 357 CO -0.00 -0.38 -0.40 0.00 -1.28 0.00 0.00 178.44 176.38 1ngr h ARG 358 N -0.37 -0.06 -0.61 0.12 3.08 -1.30 0.52 114.38 115.76 1ngr h ARG 358 Ca 0.10 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.18 1ngr h ARG 358 Cb 0.52 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 1ngr h ARG 358 CO -0.34 -0.04 0.38 0.45 -1.07 0.00 0.00 179.97 179.35 1ngr h HIS 359 N -0.06 0.71 -0.64 3.04 3.86 -1.20 -1.67 115.15 119.18 1ngr h HIS 359 Ca 0.28 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.43 1ngr h HIS 359 Cb 0.57 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 1ngr h HIS 359 CO -0.82 0.41 0.09 1.25 0.86 0.00 0.00 177.93 179.72 1ngr h LEU 360 N 0.75 1.04 -0.54 2.43 5.85 -0.45 -3.18 115.31 121.21 1ngr h LEU 360 Ca 0.24 -0.27 0.11 0.00 0.84 0.00 0.00 57.88 58.80 1ngr h LEU 360 Cb -0.00 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 40.66 1ngr h LEU 360 CO -0.09 1.04 -0.00 0.00 -0.34 0.00 0.00 178.44 179.05 1ngr h ALA 361 N 1.03 0.52 -0.47 1.25 0.00 0.90 0.13 119.26 122.61 1ngr h ALA 361 Ca 0.19 0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.36 1ngr h ALA 361 Cb 0.46 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.44 1ngr h ALA 361 CO 0.02 -0.39 -0.10 0.78 0.00 0.00 0.00 179.25 179.56 1ngr h GLY 362 N 0.12 0.36 2.00 0.00 0.00 -1.36 -1.83 103.07 102.37 1ngr h GLY 362 Ca 0.28 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1ngr h GLY 362 CO -0.46 -0.17 0.00 1.18 0.00 0.00 0.00 176.54 177.09 1ngr n GLU 363 N -5.33 0.17 -0.32 4.80 -0.58 0.26 -3.57 120.64 116.08 1ngr n GLU 363 Ca 0.04 0.29 -0.05 0.00 -0.42 0.00 0.00 57.16 57.02 1ngr n GLU 363 Cb 0.26 -1.76 0.06 0.00 -0.57 0.00 0.00 31.44 29.42 1ngr n GLU 363 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ngr n LEU 364 N -2.07 3.64 -2.30 -4.62 4.77 -0.14 -4.88 117.00 111.39 1ngr n LEU 364 Ca 0.04 -1.87 -0.11 0.00 -0.03 0.00 0.00 56.01 54.04 1ngr n LEU 364 Cb 0.30 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 40.79 1ngr n LEU 364 CO 0.23 0.58 -0.14 0.61 -1.33 0.00 0.00 177.39 177.35 1ngr n GLY 365 N 0.08 -0.30 3.44 -0.72 0.00 -1.23 -4.96 105.19 101.48 1ngr n GLY 365 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.47 2.89 0.89 1.61 1.51 -1.26 -5.10 117.35 115.42 1ngr s TYR 366 Ca 0.00 -0.44 -0.14 0.00 -1.01 0.00 0.00 57.07 55.48 1ngr s TYR 366 Cb 0.00 -1.87 0.01 0.00 -0.11 0.00 0.00 41.96 39.99 1ngr s TYR 366 CO 0.00 -0.09 0.38 1.04 -1.11 0.00 0.00 175.55 175.77 1ngr n GLN 367 N 3.37 -0.11 0.19 -0.62 6.02 -1.26 -4.73 117.38 120.24 1ngr n GLN 367 Ca -0.18 0.01 0.03 0.00 -0.01 0.00 0.00 57.00 56.85 1ngr n GLN 367 Cb 0.53 -1.80 0.38 0.00 1.02 0.00 0.00 30.24 30.36 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 -1.20 0.00 -0.53 -1.09 0.13 -1.98 -0.82 132.00 126.52 1ngr h PRO 368 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1ngr h PRO 368 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 1ngr h PRO 368 CO 0.36 0.35 0.30 0.93 -0.23 0.00 0.00 178.00 179.70 1ngr h GLU 369 N 0.00 0.73 -0.17 0.86 3.07 -1.99 0.45 114.58 117.54 1ngr h GLU 369 Ca -0.00 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 58.73 1ngr h GLU 369 Cb 0.62 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1ngr h GLU 369 CO 0.05 0.53 -0.12 0.45 -1.40 0.00 0.00 179.01 178.52 1ngr h HIS 370 N 0.74 0.44 -0.07 4.33 3.86 -1.49 -0.99 115.15 121.97 1ngr h HIS 370 Ca 0.19 -0.12 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1ngr h HIS 370 Cb 0.01 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 1ngr h HIS 370 CO 0.00 0.73 -0.06 0.82 0.86 0.00 0.00 177.93 180.28 1ngr h ILE 371 N 0.04 0.83 -0.33 2.45 2.04 -0.96 -1.18 117.51 120.40 1ngr h ILE 371 Ca 0.03 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.79 1ngr h ILE 371 Cb 0.63 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1ngr h ILE 371 CO 0.03 0.00 -0.21 0.44 0.00 0.00 0.00 178.15 178.42 1ngr h ASP 372 N -0.07 0.63 0.50 1.72 5.19 -0.94 -1.94 116.42 121.51 1ngr h ASP 372 Ca 0.05 -0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 1ngr h ASP 372 Cb 0.14 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1ngr h ASP 372 CO -0.11 0.83 0.00 -0.24 -3.12 0.00 0.00 179.24 176.60 1ngr n SER 373 N -4.13 0.14 0.01 6.45 2.88 -0.38 -2.30 113.62 116.29 1ngr n SER 373 Ca 0.00 0.54 -0.13 0.00 -1.33 0.00 0.00 58.87 57.95 1ngr n SER 373 Cb 0.40 -0.57 -0.14 0.00 -0.75 0.00 0.00 64.21 63.15 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 0.22 0.00 0.66 0.04 -0.42 -2.93 116.94 114.50 1ngr h PHE 374 Ca 0.00 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.61 1ngr h PHE 374 Cb 0.25 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1ngr h PHE 374 CO 0.00 1.28 0.00 -2.37 -0.60 0.00 0.00 178.31 176.62 1ngr n THR 375 N -3.26 0.08 0.02 -1.55 5.66 -0.97 -2.57 114.28 111.68 1ngr n THR 375 Ca -0.19 0.02 -0.20 0.00 -3.05 0.00 0.00 64.05 60.63 1ngr n THR 375 Cb 1.04 -0.54 -0.14 0.00 -1.55 0.00 0.00 70.33 69.14 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 0.46 -2.89 1.09 3.86 -1.57 -3.46 115.15 112.64 1ngr h HIS 376 Ca 0.00 -0.34 -0.46 0.00 -1.16 0.00 0.00 60.37 58.42 1ngr h HIS 376 Cb 0.40 -0.02 0.22 0.00 1.06 0.00 0.00 27.41 29.07 1ngr h HIS 376 CO 0.00 1.64 -0.49 0.39 0.86 0.00 0.00 177.93 180.33 1ngr n GLU 377 N -3.45 -1.90 -0.25 2.45 -0.58 -1.11 -4.91 120.64 110.89 1ngr n GLU 377 Ca -0.28 -0.53 0.03 0.00 -0.42 0.00 0.00 57.16 55.97 1ngr n GLU 377 Cb 1.05 -1.96 0.12 0.00 -0.57 0.00 0.00 31.44 30.08 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 -2.34 0.64 -3.25 0.62 0.00 -1.93 -3.36 119.26 109.65 1ngr h ALA 378 Ca -0.57 0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 1ngr h ALA 378 Cb 1.34 0.47 -0.26 0.00 0.00 0.00 0.00 17.79 19.34 1ngr h ALA 378 CO 0.43 -0.42 -0.49 0.00 0.00 0.00 0.00 179.25 178.77 1ngr n PRO 380 N 3.03 0.00 -0.33 0.00 -0.04 -1.06 -2.91 135.00 133.69 1ngr n PRO 380 Ca -0.13 0.07 0.25 0.00 -0.04 0.00 0.00 63.50 63.65 1ngr n PRO 380 Cb 0.58 -0.83 0.48 0.00 -0.04 0.00 0.00 33.50 33.70 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 0.13 0.85 0.52 2.07 -1.90 0.40 116.25 118.32 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 -0.41 0.03 0.02 0.00 0.00 177.57 177.23 1ngr h ARG 382 N 0.12 -1.10 0.00 1.57 3.08 -1.91 -2.05 114.38 114.09 1ngr h ARG 382 Ca 0.75 0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.87 1ngr h ARG 382 Cb 1.81 0.25 0.00 0.00 0.08 0.00 0.00 29.97 32.11 1ngr h ARG 382 CO -0.73 -0.73 0.00 0.00 -1.07 0.00 0.00 179.97 177.44 1ngr n ALA 383 N -2.60 2.11 0.00 0.04 0.00 0.18 -2.03 120.51 118.21 1ngr n ALA 383 Ca -0.14 -0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 1ngr n ALA 383 Cb 0.45 -1.42 -0.10 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.06 -0.12 0.00 5.85 -0.32 -1.31 115.31 119.35 1ngr h LEU 384 Ca 0.00 -0.53 -0.14 0.00 0.84 0.00 0.00 57.88 58.05 1ngr h LEU 384 Cb 0.51 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1ngr h LEU 384 CO 0.00 0.53 -0.68 -0.07 -0.34 0.00 0.00 178.44 177.88 1ngr h LEU 385 N -0.69 0.00 -0.37 2.25 3.38 -1.20 0.23 115.31 118.92 1ngr h LEU 385 Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1ngr h LEU 385 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1ngr h LEU 385 CO 0.01 0.68 -0.27 0.00 0.09 0.00 0.00 178.44 178.95 1ngr h ALA 386 N 1.32 0.53 0.02 1.53 0.00 -1.47 -2.86 119.26 118.33 1ngr h ALA 386 Ca -0.01 -0.40 -0.26 0.00 0.00 0.00 0.00 54.91 54.25 1ngr h ALA 386 Cb 1.47 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1ngr h ALA 386 CO 0.09 0.54 -1.41 0.45 0.00 0.00 0.00 179.25 178.92 1ngr n SER 387 N -4.20 1.90 -0.31 0.00 2.88 -0.49 -3.36 113.62 110.03 1ngr n SER 387 Ca -0.02 0.39 -0.01 0.00 -1.33 0.00 0.00 58.87 57.90 1ngr n SER 387 Cb 0.47 -0.95 0.12 0.00 -0.75 0.00 0.00 64.21 63.10 1ngr n SER 387 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1ngr h TRP 388 N -0.85 1.02 0.00 0.66 7.01 -0.73 -2.04 115.95 121.02 1ngr h TRP 388 Ca -0.37 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.66 1ngr h TRP 388 Cb 1.42 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 28.14 1ngr h TRP 388 CO 0.09 0.57 0.00 0.41 -2.79 0.00 0.00 178.44 176.72 1ngr n GLY 389 N -1.33 -0.19 0.09 2.65 0.00 -1.08 -3.01 105.19 102.32 1ngr n GLY 389 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.32 1.65 -2.59 4.61 0.00 -0.77 -2.75 120.51 120.34 1ngr n ALA 390 Ca 0.00 -0.75 -0.40 0.00 0.00 0.00 0.00 53.44 52.29 1ngr n ALA 390 Cb 0.06 -0.82 -0.08 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.70 3.92 -0.55 0.00 -0.21 -1.16 -4.97 119.66 114.00 1ngr s GLN 391 Ca -0.05 0.04 -0.27 0.00 0.02 0.00 0.00 55.36 55.11 1ngr s GLN 391 Cb 0.08 -3.69 -0.03 0.00 1.00 0.00 0.00 33.01 30.37 1ngr s GLN 391 CO 0.82 -0.38 1.97 0.34 -2.12 0.00 0.00 175.29 175.92 1ngr s ASP 392 N 1.65 5.18 0.00 5.90 -1.08 -1.26 -0.67 116.67 126.39 1ngr s ASP 392 Ca 0.17 0.64 0.00 0.00 -0.52 0.00 0.00 52.55 52.83 1ngr s ASP 392 Cb -0.16 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 1ngr s ASP 392 CO 0.10 -2.39 0.00 -1.54 0.52 0.00 0.00 175.17 171.87 1ngr n SER 393 N 13.07 0.00 -2.64 -0.34 3.41 -1.26 -4.97 113.62 120.89 1ngr n SER 393 Ca 0.24 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.69 1ngr n SER 393 Cb 0.52 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.40 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 4.91 -1.04 7.33 0.00 0.16 -4.63 120.51 127.25 1ngr n ALA 394 Ca 0.00 -1.72 -0.30 0.00 0.00 0.00 0.00 53.44 51.42 1ngr n ALA 394 Cb 0.00 -2.65 0.24 0.00 0.00 0.00 0.00 19.45 17.04 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 2.34 1.62 0.28 0.00 -4.23 -1.26 -2.94 115.64 111.44 1ngr s THR 395 Ca 0.45 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.94 1ngr s THR 395 Cb 0.17 -2.46 0.27 0.00 1.34 0.00 0.00 72.50 71.83 1ngr s THR 395 CO -0.02 0.00 1.89 0.25 -0.54 0.00 0.00 174.62 176.21 1ngr h LEU 396 N -2.57 1.01 -1.63 4.79 7.12 -1.81 -2.90 115.31 119.32 1ngr h LEU 396 Ca -0.46 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.54 1ngr h LEU 396 Cb 1.30 -0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 41.22 1ngr h LEU 396 CO 0.36 0.65 -0.06 0.44 -0.13 0.00 0.00 178.44 179.70 1ngr h ASP 397 N 1.15 0.00 0.04 1.25 5.19 -1.93 -0.11 116.42 122.01 1ngr h ASP 397 Ca 0.42 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.75 1ngr h ASP 397 Cb 0.16 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.67 1ngr h ASP 397 CO -0.16 0.06 -0.32 0.00 -3.12 0.00 0.00 179.24 175.70 1ngr h ALA 398 N 1.94 -0.01 -0.39 3.45 0.00 -1.77 -0.65 119.26 121.82 1ngr h ALA 398 Ca -0.00 -0.54 -0.14 0.00 0.00 0.00 0.00 54.91 54.23 1ngr h ALA 398 Cb 0.48 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1ngr h ALA 398 CO 0.01 0.14 -0.32 1.25 0.00 0.00 0.00 179.25 180.33 1ngr h LEU 399 N -0.63 0.96 -1.11 0.00 6.46 -1.42 -0.79 115.31 118.78 1ngr h LEU 399 Ca -0.05 -0.45 0.02 0.00 -0.12 0.00 0.00 57.88 57.28 1ngr h LEU 399 Cb 1.18 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 40.79 1ngr h LEU 399 CO 0.06 1.21 0.60 0.25 -0.62 0.00 0.00 178.44 179.94 1ngr h LEU 400 N 0.73 1.03 -0.15 2.25 6.46 -1.09 0.18 115.31 124.71 1ngr h LEU 400 Ca 0.07 -0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.72 1ngr h LEU 400 Cb 0.91 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.58 1ngr h LEU 400 CO 0.08 0.73 -0.24 0.00 -0.62 0.00 0.00 178.44 178.39 1ngr h ALA 401 N 1.44 0.24 -0.51 1.25 0.00 -0.89 -2.47 119.26 118.33 1ngr h ALA 401 Ca 0.34 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1ngr h ALA 401 Cb -0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1ngr h ALA 401 CO -0.08 0.21 0.23 0.00 0.00 0.00 0.00 179.25 179.61 1ngr h ALA 402 N 0.58 0.64 -0.39 0.00 0.00 -0.76 -0.42 119.26 118.91 1ngr h ALA 402 Ca 0.01 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1ngr h ALA 402 Cb 0.82 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 1ngr h ALA 402 CO 0.06 -0.13 -0.14 -0.07 0.00 0.00 0.00 179.25 178.96 1ngr h LEU 403 N 0.45 -0.50 -1.10 0.00 3.38 -0.66 -1.99 115.31 114.89 1ngr h LEU 403 Ca 0.23 0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.24 1ngr h LEU 403 Cb 0.18 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1ngr h LEU 403 CO -0.19 -0.18 -0.36 -0.09 0.09 0.00 0.00 178.44 177.71 1ngr h ARG 404 N -0.06 0.16 -0.77 1.13 2.43 -0.92 0.37 114.38 116.71 1ngr h ARG 404 Ca 0.19 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.35 1ngr h ARG 404 Cb 0.35 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 1ngr h ARG 404 CO -0.43 0.51 0.47 -0.09 -1.51 0.00 0.00 179.97 178.92 1ngr h ARG 405 N 0.14 0.86 -0.53 0.20 2.43 -0.44 -1.28 114.38 115.76 1ngr h ARG 405 Ca 0.02 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1ngr h ARG 405 Cb 0.71 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1ngr h ARG 405 CO 0.05 0.57 0.00 0.44 -1.51 0.00 0.00 179.97 179.52 1ngr n ILE 406 N -4.67 0.72 -1.32 1.20 -6.64 -0.81 -4.91 119.36 102.92 1ngr n ILE 406 Ca 0.10 -0.48 -0.12 0.00 -1.77 0.00 0.00 62.75 60.48 1ngr n ILE 406 Cb 0.15 -0.06 -0.05 0.00 -1.44 0.00 0.00 39.64 38.23 1ngr n ILE 406 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1ngr n GLN 407 N 0.33 -1.36 -1.07 6.28 6.02 -0.08 -4.84 117.38 122.66 1ngr n GLN 407 Ca 0.11 0.76 -0.16 0.00 -0.01 0.00 0.00 57.00 57.70 1ngr n GLN 407 Cb 0.42 -4.97 -0.15 0.00 1.02 0.00 0.00 30.24 26.57 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 -1.66 2.20 0.24 -1.09 5.12 -0.08 -4.56 116.66 116.83 1ngr n ARG 408 Ca -0.12 -1.23 0.13 0.00 -1.93 0.00 0.00 57.85 54.70 1ngr n ARG 408 Cb 0.43 -2.08 0.40 0.00 -1.16 0.00 0.00 32.46 30.05 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 3.18 0.98 -0.96 7.54 0.00 -1.89 -2.82 119.26 125.29 1ngr h ALA 409 Ca 0.27 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.26 1ngr h ALA 409 Cb 1.34 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.04 1ngr h ALA 409 CO 0.42 0.10 0.61 0.38 0.00 0.00 0.00 179.25 180.75 1ngr h ASP 410 N 0.00 0.76 0.13 0.00 3.04 -1.96 -0.20 116.42 118.18 1ngr h ASP 410 Ca -0.00 0.06 -0.15 0.00 -3.24 0.00 0.00 57.03 53.69 1ngr h ASP 410 Cb 0.81 -0.09 -0.01 0.00 -1.04 0.00 0.00 39.33 39.00 1ngr h ASP 410 CO 0.01 0.36 -0.56 0.40 -2.04 0.00 0.00 179.24 177.41 1ngr h ILE 411 N 0.79 1.34 -0.07 4.15 2.04 -1.86 -3.25 117.51 120.66 1ngr h ILE 411 Ca 0.50 -1.83 -0.00 0.00 1.00 0.00 0.00 64.86 64.52 1ngr h ILE 411 Cb 0.72 1.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1ngr h ILE 411 CO -0.26 0.56 0.04 0.58 0.00 0.00 0.00 178.15 179.07 1ngr h VAL 412 N 0.35 1.07 -0.83 1.67 2.07 -1.09 0.19 116.25 119.68 1ngr h VAL 412 Ca 0.00 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1ngr h VAL 412 Cb 1.08 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1ngr h VAL 412 CO 0.10 0.06 0.49 1.05 0.02 0.00 0.00 177.57 179.29 1ngr h GLU 413 N 0.04 1.13 0.00 1.57 4.11 -1.56 -2.32 114.58 117.54 1ngr h GLU 413 Ca 0.02 -0.11 -0.12 0.00 0.07 0.00 0.00 59.36 59.22 1ngr h GLU 413 Cb 0.06 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1ngr h GLU 413 CO -0.00 0.81 -0.58 1.03 0.07 0.00 0.00 179.01 180.33 1ngr h SER 414 N 1.14 0.00 -0.97 3.06 0.87 -1.55 -1.52 113.55 114.58 1ngr h SER 414 Ca 0.30 0.00 0.14 0.00 -1.23 0.00 0.00 61.79 61.00 1ngr h SER 414 Cb -0.03 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 61.85 1ngr h SER 414 CO -0.05 0.58 0.61 -0.07 -0.53 0.00 0.00 176.83 177.37 1ngr h LEU 415 N 0.00 0.81 0.93 2.23 3.38 -0.25 -2.27 115.31 120.14 1ngr h LEU 415 Ca -0.01 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1ngr h LEU 415 Cb 1.17 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.83 1ngr h LEU 415 CO 0.08 0.39 -0.45 0.00 0.09 0.00 0.00 178.44 178.55 1ngr n SER 417 N -5.56 0.00 0.00 0.00 2.88 -0.70 -5.13 113.62 105.11 1ngr n SER 417 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1ngr n SER 417 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1ngr n SER 417 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19