#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 6.37 1.39 1.61 -0.87 -1.26 -4.91 114.94 117.27 1ngr s ASN 335 Ca 0.00 -1.48 -0.22 0.00 -1.57 0.00 0.00 52.86 49.59 1ngr s ASN 335 Cb 0.00 -2.57 0.36 0.00 -0.02 0.00 0.00 41.25 39.02 1ngr s ASN 335 CO 0.00 -1.63 0.95 -0.76 -2.57 0.00 0.00 177.10 173.09 1ngr s LEU 336 N 5.54 -0.84 -0.09 0.60 1.43 -1.26 -1.72 118.68 122.34 1ngr s LEU 336 Ca 0.50 0.90 -0.16 0.00 -1.03 0.00 0.00 54.13 54.34 1ngr s LEU 336 Cb -0.00 -2.39 -0.13 0.00 0.03 0.00 0.00 46.19 43.70 1ngr s LEU 336 CO -0.07 -5.21 0.56 0.22 0.23 0.00 0.00 176.35 172.09 1ngr h TYR 337 N -3.31 -0.11 0.00 0.29 3.20 -1.62 -3.23 116.97 112.20 1ngr h TYR 337 Ca -0.45 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.41 1ngr h TYR 337 Cb 1.34 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.64 1ngr h TYR 337 CO -2.89 0.33 0.00 0.43 -1.64 0.00 0.00 178.16 174.39 1ngr n SER 338 N -4.81 0.00 -0.21 -2.11 7.64 -1.26 -2.93 113.62 109.93 1ngr n SER 338 Ca -0.06 -0.26 -0.06 0.00 1.01 0.00 0.00 58.87 59.51 1ngr n SER 338 Cb 0.24 -0.06 0.04 0.00 -1.01 0.00 0.00 64.21 63.41 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 0.70 -2.00 6.43 0.87 -1.92 -3.32 113.55 114.31 1ngr h SER 339 Ca 0.00 -0.03 -0.56 0.00 -1.23 0.00 0.00 61.79 59.98 1ngr h SER 339 Cb 0.02 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1ngr h SER 339 CO 0.00 0.51 1.49 -0.22 -0.53 0.00 0.00 176.83 178.08 1ngr s LEU 340 N -10.13 3.43 0.00 2.23 0.20 -1.15 -4.90 118.68 108.37 1ngr s LEU 340 Ca -0.13 1.56 0.28 0.00 0.69 0.00 0.00 54.13 56.53 1ngr s LEU 340 Cb 0.13 -3.25 0.99 0.00 -0.43 0.00 0.00 46.19 43.63 1ngr s LEU 340 CO 0.76 -2.16 1.71 -0.81 -0.29 0.00 0.00 176.35 175.56 1ngr n PRO 341 N 8.79 1.71 -3.35 0.98 -0.04 -1.25 -4.73 135.00 137.11 1ngr n PRO 341 Ca 0.30 -1.03 -0.22 0.00 -0.04 0.00 0.00 63.50 62.51 1ngr n PRO 341 Cb 0.48 -1.48 0.04 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.98 2.96 0.26 1.53 2.96 -1.26 -4.94 118.68 118.20 1ngr s LEU 342 Ca 0.37 -0.99 0.09 0.00 -0.22 0.00 0.00 54.13 53.38 1ngr s LEU 342 Cb 0.21 -1.47 0.49 0.00 0.50 0.00 0.00 46.19 45.92 1ngr s LEU 342 CO 0.33 -1.26 1.13 0.41 -1.32 0.00 0.00 176.35 175.65 1ngr n THR 343 N -2.07 0.64 -0.30 3.68 -1.04 -1.26 -0.66 114.28 113.27 1ngr n THR 343 Ca 0.09 0.69 0.09 0.00 -2.04 0.00 0.00 64.05 62.89 1ngr n THR 343 Cb 0.63 -1.69 0.31 0.00 -1.82 0.00 0.00 70.33 67.76 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 0.81 -0.52 -2.82 3.11 -1.94 -1.23 116.57 113.99 1ngr h LYS 344 Ca 0.00 -0.05 0.07 0.00 -2.81 0.00 0.00 60.65 57.86 1ngr h LYS 344 Cb 0.66 -0.18 -0.06 0.00 -1.00 0.00 0.00 32.23 31.65 1ngr h LYS 344 CO 0.00 0.54 0.19 0.00 -2.81 0.00 0.00 179.45 177.37 1ngr h ARG 345 N 0.84 0.36 -0.46 1.90 2.47 -1.18 -2.46 114.38 115.85 1ngr h ARG 345 Ca 0.45 -0.02 0.02 0.00 -1.26 0.00 0.00 59.98 59.17 1ngr h ARG 345 Cb 0.55 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.76 1ngr h ARG 345 CO -0.21 0.24 0.26 0.93 0.56 0.00 0.00 179.97 181.75 1ngr h GLU 346 N 0.37 0.51 -0.26 0.04 4.39 -1.44 0.38 114.58 118.58 1ngr h GLU 346 Ca 0.25 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.97 1ngr h GLU 346 Cb 0.27 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.75 1ngr h GLU 346 CO -0.25 0.34 -0.09 1.49 -1.16 0.00 0.00 179.01 179.34 1ngr h GLU 347 N 0.53 -0.04 0.00 2.33 4.57 -1.46 -2.48 114.58 118.03 1ngr h GLU 347 Ca 0.19 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.19 1ngr h GLU 347 Cb 0.03 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1ngr h GLU 347 CO -0.10 -0.02 -0.87 0.28 -1.18 0.00 0.00 179.01 177.12 1ngr h VAL 348 N -0.04 1.43 -0.96 0.32 2.07 -0.70 -2.71 116.25 115.66 1ngr h VAL 348 Ca 0.13 -3.03 0.12 0.00 0.82 0.00 0.00 66.70 64.73 1ngr h VAL 348 Cb 0.23 2.70 -0.08 0.00 -1.52 0.00 0.00 31.29 32.63 1ngr h VAL 348 CO -0.29 0.81 0.61 -0.33 0.02 0.00 0.00 177.57 178.40 1ngr h GLU 349 N 0.00 0.91 0.00 1.57 5.08 -0.23 0.29 114.58 122.20 1ngr h GLU 349 Ca -0.02 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1ngr h GLU 349 Cb 1.66 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.70 1ngr h GLU 349 CO 0.11 0.60 -0.14 -0.22 -1.00 0.00 0.00 179.01 178.36 1ngr h LYS 350 N 0.93 0.00 0.00 2.33 3.11 -1.14 -3.17 116.57 118.64 1ngr h LYS 350 Ca 0.47 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.29 1ngr h LYS 350 Cb 0.49 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.72 1ngr h LYS 350 CO -0.23 0.14 -0.11 -0.07 -2.81 0.00 0.00 179.45 176.37 1ngr h LEU 351 N 0.00 0.00 -4.60 5.20 3.38 -0.70 -3.33 115.31 115.26 1ngr h LEU 351 Ca -0.00 -0.57 -0.16 0.00 0.09 0.00 0.00 57.88 57.23 1ngr h LEU 351 Cb 0.55 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1ngr h LEU 351 CO 0.02 0.85 0.47 0.18 0.09 0.00 0.00 178.44 180.05 1ngr n LEU 352 N -4.66 3.45 -4.47 1.67 4.77 0.79 -4.91 117.00 113.64 1ngr n LEU 352 Ca -0.08 -2.24 -0.30 0.00 -0.03 0.00 0.00 56.01 53.37 1ngr n LEU 352 Cb 0.32 -0.89 0.23 0.00 -2.33 0.00 0.00 43.42 40.75 1ngr n LEU 352 CO 0.20 0.77 0.34 -3.20 -1.33 0.00 0.00 177.39 174.17 1ngr n ASN 353 N 2.97 -1.55 -3.43 -1.43 5.15 -1.20 -4.32 115.26 111.45 1ngr n ASN 353 Ca 0.29 -0.05 -0.38 0.00 -0.60 0.00 0.00 54.58 53.84 1ngr n ASN 353 Cb 0.47 -1.24 -0.10 0.00 -0.53 0.00 0.00 39.78 38.38 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 1.09 0.89 0.51 8.20 0.00 -1.26 -2.68 105.19 111.93 1ngr n GLY 354 Ca 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 8.23 0.00 -0.33 1.61 2.03 -1.26 -4.98 116.55 121.84 1ngr n ASP 355 Ca 0.40 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.68 1ngr n ASP 355 Cb 0.35 0.13 0.09 0.00 -0.72 0.00 0.00 41.12 40.97 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 1.25 -0.25 5.18 2.02 -1.83 -2.65 112.91 116.62 1ngr h THR 356 Ca 0.00 -0.57 0.06 0.00 0.77 0.00 0.00 66.41 66.67 1ngr h THR 356 Cb 0.00 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.34 1ngr h THR 356 CO 0.00 0.27 -0.24 4.11 0.37 0.00 0.00 175.52 180.03 1ngr h TRP 357 N 1.24 -0.65 -0.91 3.16 5.08 -1.70 -1.69 115.95 120.49 1ngr h TRP 357 Ca 0.32 0.04 0.20 0.00 1.08 0.00 0.00 58.89 60.53 1ngr h TRP 357 Cb -0.03 0.32 -0.17 0.00 -3.00 0.00 0.00 29.16 26.29 1ngr h TRP 357 CO 0.00 -0.32 -0.14 0.00 -1.28 0.00 0.00 178.44 176.70 1ngr h ARG 358 N -0.25 0.01 0.55 0.12 3.08 -1.76 0.30 114.38 116.45 1ngr h ARG 358 Ca 0.14 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1ngr h ARG 358 Cb 0.46 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1ngr h ARG 358 CO -0.40 0.01 -0.29 0.45 -1.07 0.00 0.00 179.97 178.67 1ngr h HIS 359 N 0.02 -0.76 -0.90 3.04 3.86 -1.38 -2.92 115.15 116.11 1ngr h HIS 359 Ca 0.47 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.71 1ngr h HIS 359 Cb 0.79 0.26 -0.05 0.00 1.06 0.00 0.00 27.41 29.47 1ngr h HIS 359 CO -0.63 -0.46 0.59 1.25 0.86 0.00 0.00 177.93 179.55 1ngr h LEU 360 N -0.78 0.94 -0.62 2.43 5.85 -1.00 -3.22 115.31 118.92 1ngr h LEU 360 Ca -0.07 -0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.77 1ngr h LEU 360 Cb 0.61 -0.21 -0.11 0.00 0.37 0.00 0.00 40.66 41.32 1ngr h LEU 360 CO 0.10 0.63 -0.03 0.00 -0.34 0.00 0.00 178.44 178.80 1ngr h ALA 361 N 1.49 0.57 -0.14 1.25 0.00 -0.22 -0.23 119.26 121.98 1ngr h ALA 361 Ca 0.37 0.20 -0.17 0.00 0.00 0.00 0.00 54.91 55.31 1ngr h ALA 361 Cb 0.09 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ngr h ALA 361 CO -0.12 -0.40 -0.62 0.78 0.00 0.00 0.00 179.25 178.88 1ngr h GLY 362 N 0.09 0.56 2.00 0.00 0.00 -1.63 -3.07 103.07 101.01 1ngr h GLY 362 Ca 0.32 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1ngr h GLY 362 CO -0.55 0.62 0.00 0.83 0.00 0.00 0.00 176.54 177.44 1ngr h GLU 363 N 0.37 0.00 -0.97 4.80 4.39 -1.12 -2.64 114.58 119.43 1ngr h GLU 363 Ca -0.01 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.46 1ngr h GLU 363 Cb 1.17 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.69 1ngr h GLU 363 CO 0.11 0.00 0.29 1.28 -1.16 0.00 0.00 179.01 179.54 1ngr n LEU 364 N -2.85 4.76 -2.35 1.33 4.77 -0.70 -4.90 117.00 117.06 1ngr n LEU 364 Ca -0.02 -2.49 -0.12 0.00 -0.03 0.00 0.00 56.01 53.35 1ngr n LEU 364 Cb 0.12 -0.67 -0.01 0.00 -2.33 0.00 0.00 43.42 40.53 1ngr n LEU 364 CO 0.19 0.74 -0.16 0.61 -1.33 0.00 0.00 177.39 177.44 1ngr n GLY 365 N -0.26 -0.36 3.25 -0.72 0.00 -0.99 -4.96 105.19 101.14 1ngr n GLY 365 Ca 0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.57 3.29 0.91 1.61 2.02 -1.25 -5.10 117.35 116.26 1ngr s TYR 366 Ca 0.00 -1.57 -0.13 0.00 -0.37 0.00 0.00 57.07 55.00 1ngr s TYR 366 Cb 0.00 -2.40 0.01 0.00 -0.40 0.00 0.00 41.96 39.18 1ngr s TYR 366 CO 0.00 -0.77 0.37 1.04 -1.57 0.00 0.00 175.55 174.62 1ngr n GLN 367 N 4.78 -0.17 0.33 -0.62 6.02 -1.26 -4.14 117.38 122.32 1ngr n GLN 367 Ca -0.12 -0.01 0.22 0.00 -0.01 0.00 0.00 57.00 57.08 1ngr n GLN 367 Cb 0.44 -1.81 1.16 0.00 1.02 0.00 0.00 30.24 31.05 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 -1.33 0.00 -0.78 -1.09 0.13 -1.96 -0.14 132.00 126.83 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 0.51 0.93 -0.23 0.00 0.00 178.00 179.56 1ngr h GLU 369 N 0.00 0.95 -0.01 0.86 3.07 -1.99 0.40 114.58 117.85 1ngr h GLU 369 Ca 0.00 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1ngr h GLU 369 Cb 0.06 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 27.76 1ngr h GLU 369 CO -0.00 0.63 -0.00 0.45 -1.40 0.00 0.00 179.01 178.68 1ngr h HIS 370 N 0.97 0.02 -0.03 4.33 3.86 -1.33 -2.71 115.15 120.26 1ngr h HIS 370 Ca 0.30 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 1ngr h HIS 370 Cb 0.01 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1ngr h HIS 370 CO -0.00 0.45 0.02 0.82 0.86 0.00 0.00 177.93 180.08 1ngr h ILE 371 N -0.41 1.03 0.00 2.45 2.04 -1.26 -0.50 117.51 120.85 1ngr h ILE 371 Ca 0.00 -0.07 -0.11 0.00 1.00 0.00 0.00 64.86 65.69 1ngr h ILE 371 Cb 0.45 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1ngr h ILE 371 CO 0.00 0.02 -0.50 0.44 0.00 0.00 0.00 178.15 178.11 1ngr h ASP 372 N 0.02 0.00 0.89 1.72 5.19 -1.08 -2.63 116.42 120.53 1ngr h ASP 372 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1ngr h ASP 372 Cb 0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1ngr h ASP 372 CO -0.00 0.50 0.00 -1.20 -3.12 0.00 0.00 179.24 175.42 1ngr n SER 373 N -3.81 0.30 0.01 6.45 7.64 -0.63 -2.93 113.62 120.65 1ngr n SER 373 Ca -0.01 0.55 -0.16 0.00 1.01 0.00 0.00 58.87 60.26 1ngr n SER 373 Cb 0.54 -0.62 -0.14 0.00 -1.01 0.00 0.00 64.21 62.98 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 0.31 0.00 1.43 0.04 -0.75 -3.08 116.94 114.89 1ngr h PHE 374 Ca 0.00 -0.23 0.00 0.00 2.80 0.00 0.00 57.97 60.54 1ngr h PHE 374 Cb 0.44 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1ngr h PHE 374 CO 0.00 1.40 0.00 -2.37 -0.60 0.00 0.00 178.31 176.74 1ngr n THR 375 N -3.33 0.04 -0.00 -1.55 5.66 -1.15 -2.19 114.28 111.76 1ngr n THR 375 Ca -0.22 0.01 -0.19 0.00 -3.05 0.00 0.00 64.05 60.60 1ngr n THR 375 Cb 1.05 -0.53 -0.14 0.00 -1.55 0.00 0.00 70.33 69.16 1ngr n THR 375 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 1ngr n HIS 376 N -1.23 1.17 -0.60 1.09 8.25 -1.21 -4.84 115.22 117.86 1ngr n HIS 376 Ca 0.16 0.27 -0.31 0.00 -0.26 0.00 0.00 57.72 57.58 1ngr n HIS 376 Cb 0.21 -1.16 0.21 0.00 1.12 0.00 0.00 29.99 30.36 1ngr n HIS 376 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1ngr n GLU 377 N -3.41 -1.86 -0.29 -0.41 -0.58 -1.17 -4.91 120.64 108.03 1ngr n GLU 377 Ca -0.30 -0.52 0.05 0.00 -0.42 0.00 0.00 57.16 55.97 1ngr n GLU 377 Cb 1.05 -1.93 0.15 0.00 -0.57 0.00 0.00 31.44 30.14 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 -2.30 0.72 -2.87 0.62 0.00 -1.93 -3.37 119.26 110.13 1ngr h ALA 378 Ca -0.56 0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 1ngr h ALA 378 Cb 1.34 0.55 -0.22 0.00 0.00 0.00 0.00 17.79 19.46 1ngr h ALA 378 CO 0.43 -0.43 -0.45 0.00 0.00 0.00 0.00 179.25 178.79 1ngr n PRO 380 N 1.93 0.00 -0.33 0.00 -0.04 -0.93 -2.42 135.00 133.21 1ngr n PRO 380 Ca -0.19 0.31 0.26 0.00 -0.04 0.00 0.00 63.50 63.84 1ngr n PRO 380 Cb 0.57 -1.16 0.50 0.00 -0.04 0.00 0.00 33.50 33.37 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 0.71 0.52 2.07 -1.89 0.39 116.25 118.15 1ngr h VAL 381 Ca 0.00 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 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 -0.34 0.03 0.02 0.00 0.00 177.57 177.30 1ngr h ARG 382 N 0.10 -0.91 0.00 1.57 3.08 -1.98 -2.17 114.38 114.08 1ngr h ARG 382 Ca 0.77 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.88 1ngr h ARG 382 Cb 1.90 0.21 0.00 0.00 0.08 0.00 0.00 29.97 32.15 1ngr h ARG 382 CO -0.74 -0.61 0.00 0.00 -1.07 0.00 0.00 179.97 177.55 1ngr n ALA 383 N -2.65 1.61 0.02 0.04 0.00 -0.19 -2.46 120.51 116.89 1ngr n ALA 383 Ca -0.12 0.01 -0.18 0.00 0.00 0.00 0.00 53.44 53.15 1ngr n ALA 383 Cb 0.37 -1.28 -0.12 0.00 0.00 0.00 0.00 19.45 18.42 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 0.57 -0.20 0.00 5.85 -0.16 0.00 115.31 121.37 1ngr h LEU 384 Ca 0.00 -0.80 -0.05 0.00 0.84 0.00 0.00 57.88 57.87 1ngr h LEU 384 Cb 0.27 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1ngr h LEU 384 CO 0.00 1.30 -0.24 -0.07 -0.34 0.00 0.00 178.44 179.09 1ngr h LEU 385 N -0.09 0.00 -0.11 2.25 3.38 -1.06 0.19 115.31 119.87 1ngr h LEU 385 Ca -0.10 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.68 1ngr h LEU 385 Cb 1.44 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.20 1ngr h LEU 385 CO 0.14 0.24 -0.70 0.00 0.09 0.00 0.00 178.44 178.21 1ngr h ALA 386 N 1.76 0.23 0.03 1.53 0.00 -1.53 -3.04 119.26 118.24 1ngr h ALA 386 Ca -0.00 -0.57 -0.24 0.00 0.00 0.00 0.00 54.91 54.10 1ngr h ALA 386 Cb 1.11 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1ngr h ALA 386 CO 0.03 0.55 -1.27 0.77 0.00 0.00 0.00 179.25 179.33 1ngr h SER 387 N 0.33 0.09 -0.91 0.00 0.02 -0.81 -3.15 113.55 109.13 1ngr h SER 387 Ca -0.06 -0.64 0.10 0.00 -0.84 0.00 0.00 61.79 60.35 1ngr h SER 387 Cb 1.34 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.77 1ngr h SER 387 CO 0.14 1.51 0.55 -0.25 -1.14 0.00 0.00 176.83 177.65 1ngr h TRP 388 N -0.79 1.00 0.00 3.45 7.01 -0.83 -2.35 115.95 123.43 1ngr h TRP 388 Ca -0.33 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.70 1ngr h TRP 388 Cb 1.42 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 28.17 1ngr h TRP 388 CO 0.11 0.42 0.00 0.41 -2.79 0.00 0.00 178.44 176.59 1ngr n GLY 389 N -1.33 -0.39 0.22 2.65 0.00 -1.15 -1.01 105.19 104.17 1ngr n GLY 389 Ca 0.16 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1ngr n GLY 389 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngr h ALA 390 N 2.53 0.95 -2.45 4.61 0.00 -1.37 -3.43 119.26 120.10 1ngr h ALA 390 Ca 0.00 -0.09 -0.54 0.00 0.00 0.00 0.00 54.91 54.29 1ngr h ALA 390 Cb 0.03 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ngr h ALA 390 CO 0.00 0.12 0.80 -0.65 0.00 0.00 0.00 179.25 179.52 1ngr s GLN 391 N -3.31 4.29 0.51 0.00 -0.21 -0.18 -4.91 119.66 115.85 1ngr s GLN 391 Ca 0.05 2.04 0.23 0.00 0.02 0.00 0.00 55.36 57.70 1ngr s GLN 391 Cb 0.07 -3.45 1.35 0.00 1.00 0.00 0.00 33.01 31.97 1ngr s GLN 391 CO 0.65 -0.53 2.07 0.22 -2.12 0.00 0.00 175.29 175.58 1ngr h ASP 392 N 7.48 0.00 0.00 5.90 3.58 -1.87 -0.84 116.42 130.66 1ngr h ASP 392 Ca -0.40 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.05 1ngr h ASP 392 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 1ngr h ASP 392 CO 0.89 0.13 0.00 -1.54 -2.88 0.00 0.00 179.24 175.83 1ngr n SER 393 N -3.90 0.00 -1.94 2.28 3.41 -1.26 -0.13 113.62 112.08 1ngr n SER 393 Ca -0.02 -0.52 -0.10 0.00 -0.26 0.00 0.00 58.87 57.96 1ngr n SER 393 Cb 0.22 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.03 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 -0.90 5.93 -1.21 7.33 0.00 -0.32 -4.73 120.51 126.60 1ngr n ALA 394 Ca 0.09 -1.53 -0.31 0.00 0.00 0.00 0.00 53.44 51.68 1ngr n ALA 394 Cb 0.04 -2.13 0.10 0.00 0.00 0.00 0.00 19.45 17.45 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 0.90 3.19 0.23 0.00 -4.23 -1.26 -2.14 115.64 112.33 1ngr s THR 395 Ca 0.56 0.39 -0.08 0.00 -1.18 0.00 0.00 61.69 61.39 1ngr s THR 395 Cb 0.27 -2.83 0.21 0.00 1.34 0.00 0.00 72.50 71.49 1ngr s THR 395 CO 0.00 -0.50 1.90 0.25 -0.54 0.00 0.00 174.62 175.74 1ngr h LEU 396 N -1.16 1.01 -1.33 4.79 7.12 -1.47 -2.37 115.31 121.91 1ngr h LEU 396 Ca -0.44 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 57.55 1ngr h LEU 396 Cb 1.24 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 41.12 1ngr h LEU 396 CO 0.50 0.73 0.00 -2.24 -0.13 0.00 0.00 178.44 177.30 1ngr h ASP 397 N 1.20 0.00 0.04 1.25 3.04 -1.91 0.33 116.42 120.36 1ngr h ASP 397 Ca 0.33 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 54.12 1ngr h ASP 397 Cb -0.12 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.17 1ngr h ASP 397 CO -0.08 0.00 -0.02 0.00 -2.04 0.00 0.00 179.24 177.11 1ngr h ALA 398 N 2.10 -0.05 -0.28 4.15 0.00 -1.72 -1.28 119.26 122.18 1ngr h ALA 398 Ca 0.00 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1ngr h ALA 398 Cb 0.36 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ngr h ALA 398 CO 0.00 -0.07 -0.35 1.25 0.00 0.00 0.00 179.25 180.08 1ngr h LEU 399 N -0.96 0.66 -0.94 0.00 6.46 -1.30 0.58 115.31 119.81 1ngr h LEU 399 Ca -0.00 -0.27 -0.01 0.00 -0.12 0.00 0.00 57.88 57.47 1ngr h LEU 399 Cb 0.59 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.30 1ngr h LEU 399 CO 0.01 0.95 0.50 0.25 -0.62 0.00 0.00 178.44 179.53 1ngr h LEU 400 N 0.53 1.12 -0.16 2.25 6.46 -1.04 0.46 115.31 124.92 1ngr h LEU 400 Ca 0.06 -0.09 -0.08 0.00 -0.12 0.00 0.00 57.88 57.64 1ngr h LEU 400 Cb 0.85 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.50 1ngr h LEU 400 CO 0.07 0.89 -0.21 0.00 -0.62 0.00 0.00 178.44 178.57 1ngr h ALA 401 N 1.30 0.25 -0.64 1.25 0.00 -0.83 -2.90 119.26 117.68 1ngr h ALA 401 Ca 0.32 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1ngr h ALA 401 Cb 0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1ngr h ALA 401 CO -0.05 0.19 0.40 0.00 0.00 0.00 0.00 179.25 179.79 1ngr h ALA 402 N 0.60 0.83 -0.39 0.00 0.00 -0.65 -1.37 119.26 118.27 1ngr h ALA 402 Ca 0.02 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1ngr h ALA 402 Cb 0.77 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1ngr h ALA 402 CO 0.05 0.15 0.14 -0.07 0.00 0.00 0.00 179.25 179.53 1ngr h LEU 403 N 0.78 0.16 -2.15 0.00 3.38 -0.96 -0.97 115.31 115.56 1ngr h LEU 403 Ca 0.26 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.27 1ngr h LEU 403 Cb 0.01 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1ngr h LEU 403 CO -0.10 0.13 0.02 -0.09 0.09 0.00 0.00 178.44 178.49 1ngr h ARG 404 N 0.31 0.00 -0.63 1.13 2.43 -1.22 -1.53 114.38 114.86 1ngr h ARG 404 Ca 0.18 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.38 1ngr h ARG 404 Cb 0.15 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1ngr h ARG 404 CO -0.17 0.00 0.39 -0.09 -1.51 0.00 0.00 179.97 178.59 1ngr h ARG 405 N 0.00 0.75 -0.75 0.20 2.43 -0.06 -0.96 114.38 115.98 1ngr h ARG 405 Ca 0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1ngr h ARG 405 Cb 0.04 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1ngr h ARG 405 CO -0.00 0.49 0.00 0.44 -1.51 0.00 0.00 179.97 179.39 1ngr n ILE 406 N -4.71 1.13 -1.33 1.20 -0.00 -0.89 -4.88 119.36 109.87 1ngr n ILE 406 Ca 0.06 -0.60 -0.12 0.00 -0.00 0.00 0.00 62.75 62.09 1ngr n ILE 406 Cb 0.08 -0.32 -0.05 0.00 -0.00 0.00 0.00 39.64 39.35 1ngr n ILE 406 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.55 178.22 1ngr n GLN 407 N 0.30 -1.35 -1.24 6.28 7.27 -0.37 -4.85 117.38 123.42 1ngr n GLN 407 Ca 0.12 0.75 -0.35 0.00 0.07 0.00 0.00 57.00 57.59 1ngr n GLN 407 Cb 0.62 -4.96 -0.04 0.00 2.41 0.00 0.00 30.24 28.27 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 -1.68 3.43 0.06 3.69 5.12 -0.63 -4.58 116.66 122.07 1ngr n ARG 408 Ca -0.12 -2.03 0.13 0.00 -1.93 0.00 0.00 57.85 53.90 1ngr n ARG 408 Cb 0.43 -2.70 0.49 0.00 -1.16 0.00 0.00 32.46 29.52 1ngr n ARG 408 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ngr n ALA 409 N 3.51 2.33 0.01 7.54 0.00 -1.26 -3.42 120.51 129.22 1ngr n ALA 409 Ca 0.73 -0.06 -0.10 0.00 0.00 0.00 0.00 53.44 54.01 1ngr n ALA 409 Cb 0.29 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 1ngr n ALA 409 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1ngr h ASP 410 N 0.00 -0.60 0.37 0.00 2.03 -1.96 -2.17 116.42 114.08 1ngr h ASP 410 Ca 0.00 0.10 -0.06 0.00 -0.73 0.00 0.00 57.03 56.34 1ngr h ASP 410 Cb 0.64 0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 39.40 1ngr h ASP 410 CO 0.00 -0.25 -0.27 0.40 -1.03 0.00 0.00 179.24 178.09 1ngr h ILE 411 N -0.27 1.05 0.36 4.15 2.04 -1.93 -3.09 117.51 119.82 1ngr h ILE 411 Ca 0.09 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 64.95 1ngr h ILE 411 Cb 0.39 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1ngr h ILE 411 CO -0.25 0.27 -0.17 0.58 0.00 0.00 0.00 178.15 178.57 1ngr h VAL 412 N 0.00 0.65 -0.89 1.67 2.07 -1.50 0.49 116.25 118.74 1ngr h VAL 412 Ca -0.00 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1ngr h VAL 412 Cb 0.53 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1ngr h VAL 412 CO 0.04 0.03 0.48 1.05 0.02 0.00 0.00 177.57 179.18 1ngr h GLU 413 N -0.56 1.25 0.00 1.57 4.11 -1.58 -3.05 114.58 116.32 1ngr h GLU 413 Ca -0.05 -0.15 -0.08 0.00 0.07 0.00 0.00 59.36 59.15 1ngr h GLU 413 Cb 0.42 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1ngr h GLU 413 CO 0.08 0.92 -0.37 1.03 0.07 0.00 0.00 179.01 180.74 1ngr h SER 414 N 1.25 0.00 0.30 3.06 0.87 -1.42 -2.46 113.55 115.15 1ngr h SER 414 Ca 0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1ngr h SER 414 Cb 0.04 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.96 1ngr h SER 414 CO -0.05 0.37 -0.49 -0.07 -0.53 0.00 0.00 176.83 176.06 1ngr h LEU 415 N 0.00 -1.42 0.34 2.23 3.38 0.09 -3.36 115.31 116.57 1ngr h LEU 415 Ca -0.00 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1ngr h LEU 415 Cb 0.73 0.50 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1ngr h LEU 415 CO 0.05 -0.59 -0.16 0.00 0.09 0.00 0.00 178.44 177.82 1ngr n SER 417 N -4.44 0.00 0.00 0.00 7.64 -1.14 -5.15 113.62 110.53 1ngr n SER 417 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1ngr n SER 417 Cb 0.18 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1ngr n SER 417 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24