#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqc h ASP 345 N 0.00 0.00 -0.18 -3.46 3.32 -1.99 -3.21 116.42 110.90 3gqc h ASP 345 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3gqc h ASP 345 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3gqc h ASP 345 CO 0.00 0.83 0.10 0.00 -1.72 0.00 0.00 179.24 178.45 3gqc h ASN 347 N 0.21 0.60 0.40 0.00 4.21 -2.00 -2.14 115.58 116.86 3gqc h ASN 347 Ca 0.07 -0.26 -0.01 0.00 1.21 0.00 0.00 56.30 57.31 3gqc h ASN 347 Cb 0.00 -0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 37.02 3gqc h ASN 347 CO -0.04 0.71 -0.46 0.15 -1.29 0.00 0.00 177.43 176.50 3gqc h PHE 348 N 0.46 -1.28 -0.08 1.19 3.57 -1.54 0.37 116.94 119.64 3gqc h PHE 348 Ca 0.11 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.66 3gqc h PHE 348 Cb 0.37 0.50 -0.06 0.00 2.79 0.00 0.00 35.95 39.55 3gqc h PHE 348 CO 0.03 -0.61 -0.42 0.82 -2.23 0.00 0.00 178.31 175.89 3gqc h ILE 349 N -0.89 0.15 -0.64 1.41 2.04 -1.39 0.32 117.51 118.51 3gqc h ILE 349 Ca -0.04 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 3gqc h ILE 349 Cb 0.80 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3gqc h ILE 349 CO -0.10 0.00 0.22 0.77 0.00 0.00 0.00 178.15 179.04 3gqc h SER 350 N -0.53 0.92 -0.71 1.72 4.64 -1.32 -1.71 113.55 116.56 3gqc h SER 350 Ca 0.06 -0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 3gqc h SER 350 Cb 0.64 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 3gqc h SER 350 CO -0.36 0.87 0.37 -1.13 -0.87 0.00 0.00 176.83 175.71 3gqc h ASN 351 N 0.92 0.92 -0.07 4.97 -1.24 0.20 -1.53 115.58 119.76 3gqc h ASN 351 Ca 0.21 -0.09 -0.02 0.00 0.71 0.00 0.00 56.30 57.11 3gqc h ASN 351 Cb 0.27 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.08 3gqc h ASN 351 CO -0.01 0.76 -0.04 0.15 -1.29 0.00 0.00 177.43 177.00 3gqc h PHE 352 N 1.03 0.18 0.00 0.67 3.04 -0.00 -3.09 116.94 118.76 3gqc h PHE 352 Ca 0.26 -0.05 -0.03 0.00 3.98 0.00 0.00 57.97 62.13 3gqc h PHE 352 Cb 0.07 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.54 3gqc h PHE 352 CO 0.01 0.54 -0.12 1.88 -2.02 0.00 0.00 178.31 178.60 3gqc h TYR 353 N -0.24 0.00 0.00 0.41 0.99 -1.18 -1.07 116.97 115.87 3gqc h TYR 353 Ca 0.01 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.67 3gqc h TYR 353 Cb 0.50 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.22 3gqc h TYR 353 CO 0.07 0.12 -0.34 0.77 -0.00 0.00 0.00 178.16 178.79 3gqc h SER 354 N 0.00 0.00 -0.02 3.88 0.02 -1.21 -3.05 113.55 113.18 3gqc h SER 354 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3gqc h SER 354 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3gqc h SER 354 CO 0.02 0.34 -0.42 1.41 -1.14 0.00 0.00 176.83 177.03 3gqc n HIS 355 N -3.99 0.00 -3.00 3.45 8.25 -0.66 -4.92 115.22 114.35 3gqc n HIS 355 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 3gqc n HIS 355 Cb 0.39 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.45 3gqc n HIS 355 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3gqc s SER 356 N -2.32 6.38 0.23 0.41 0.15 -0.50 -4.91 113.70 113.15 3gqc s SER 356 Ca 0.18 -0.19 0.04 0.00 0.70 0.00 0.00 55.95 56.68 3gqc s SER 356 Cb 0.17 -2.37 0.24 0.00 -1.71 0.00 0.00 66.02 62.36 3gqc s SER 356 CO 0.52 -0.88 1.56 0.08 1.20 0.00 0.00 173.24 175.72 3gqc h ARG 357 N 8.96 0.25 -0.60 5.44 -0.00 -1.91 -2.16 114.38 124.36 3gqc h ARG 357 Ca -0.25 -0.17 -0.07 0.00 -0.00 0.00 0.00 59.98 59.49 3gqc h ARG 357 Cb 1.09 0.03 -0.02 0.00 -0.00 0.00 0.00 29.97 31.06 3gqc h ARG 357 CO 0.94 0.78 0.08 -0.07 -0.00 0.00 0.00 179.97 181.70 3gqc h LEU 358 N 0.19 0.94 -0.35 0.08 3.38 -1.97 -0.77 115.31 116.80 3gqc h LEU 358 Ca -0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3gqc h LEU 358 Cb 1.11 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 3gqc h LEU 358 CO 0.09 0.94 0.12 -0.74 0.09 0.00 0.00 178.44 178.95 3gqc h HIS 359 N 0.92 0.55 -0.10 1.13 2.76 -1.85 -2.83 115.15 115.73 3gqc h HIS 359 Ca 0.18 -0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.30 3gqc h HIS 359 Cb 0.42 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.21 3gqc h HIS 359 CO 0.03 0.53 0.05 0.45 -1.30 0.00 0.00 177.93 177.69 3gqc h HIS 360 N 0.42 0.15 -0.61 5.26 3.86 -1.12 -1.75 115.15 121.37 3gqc h HIS 360 Ca 0.11 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.27 3gqc h HIS 360 Cb 0.22 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 3gqc h HIS 360 CO 0.00 0.21 0.17 -0.84 0.86 0.00 0.00 177.93 178.33 3gqc h ILE 361 N 0.05 1.24 -0.38 2.45 3.07 -1.17 -1.06 117.51 121.70 3gqc h ILE 361 Ca 0.04 -0.83 -0.01 0.00 1.55 0.00 0.00 64.86 65.60 3gqc h ILE 361 Cb 0.11 0.59 -0.02 0.00 -0.27 0.00 0.00 36.82 37.24 3gqc h ILE 361 CO -0.00 0.32 0.18 0.28 -1.05 0.00 0.00 178.15 177.88 3gqc h SER 362 N 0.89 0.50 -0.28 2.16 0.02 -1.37 -1.12 113.55 114.36 3gqc h SER 362 Ca 0.20 -0.13 0.06 0.00 -0.84 0.00 0.00 61.79 61.08 3gqc h SER 362 Cb 0.29 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.65 3gqc h SER 362 CO -0.00 0.49 -0.06 0.24 -1.14 0.00 0.00 176.83 176.35 3gqc h MET 363 N 0.48 0.01 -0.78 3.45 2.86 -0.92 -2.05 114.93 117.98 3gqc h MET 363 Ca 0.13 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3gqc h MET 363 Cb 0.12 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 3gqc h MET 363 CO -0.02 0.00 0.42 -1.49 1.06 0.00 0.00 176.91 176.88 3gqc h TRP 364 N 0.01 1.07 -0.56 -0.22 6.55 -0.92 0.25 115.95 122.12 3gqc h TRP 364 Ca 0.14 -0.02 0.04 0.00 0.95 0.00 0.00 58.89 59.99 3gqc h TRP 364 Cb 0.20 -0.34 -0.04 0.00 -0.86 0.00 0.00 29.16 28.12 3gqc h TRP 364 CO -0.27 0.75 0.32 -0.22 -1.05 0.00 0.00 178.44 177.96 3gqc h LYS 365 N 1.09 0.59 -0.37 0.49 3.64 -1.02 0.22 116.57 121.22 3gqc h LYS 365 Ca 0.27 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3gqc h LYS 365 Cb 0.04 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3gqc h LYS 365 CO -0.04 0.39 0.23 0.00 -2.27 0.00 0.00 179.45 177.76 3gqc h GLU 367 N 0.48 0.93 -0.21 0.00 5.08 -0.00 0.12 114.58 120.98 3gqc h GLU 367 Ca 0.13 -0.26 -0.19 0.00 -1.00 0.00 0.00 59.36 58.05 3gqc h GLU 367 Cb -0.02 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3gqc h GLU 367 CO -0.03 0.90 -0.62 -0.07 -1.00 0.00 0.00 179.01 178.19 3gqc h LEU 368 N 0.82 0.83 -0.21 1.33 3.38 -0.51 -0.15 115.31 120.80 3gqc h LEU 368 Ca 0.17 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 3gqc h LEU 368 Cb 0.43 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3gqc h LEU 368 CO 0.01 1.25 0.12 0.74 0.09 0.00 0.00 178.44 180.66 3gqc h THR 369 N 0.54 1.09 -1.01 0.22 2.02 -0.88 -0.21 112.91 114.69 3gqc h THR 369 Ca -0.01 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 66.98 3gqc h THR 369 Cb 1.21 0.86 -0.06 0.00 -1.74 0.00 0.00 68.15 68.43 3gqc h THR 369 CO 0.13 0.09 0.66 -0.33 0.37 0.00 0.00 175.52 176.43 3gqc h GLU 370 N 0.25 1.23 -0.47 6.66 3.07 -0.81 -1.49 114.58 123.02 3gqc h GLU 370 Ca 0.08 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 3gqc h GLU 370 Cb 0.03 -0.28 -0.02 0.00 -0.84 0.00 0.00 28.75 27.65 3gqc h GLU 370 CO -0.01 0.82 0.12 0.35 -1.40 0.00 0.00 179.01 178.88 3gqc h PHE 371 N 1.27 0.78 -0.32 4.33 3.57 -0.64 -2.46 116.94 123.47 3gqc h PHE 371 Ca 0.40 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 3gqc h PHE 371 Cb 0.01 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 3gqc h PHE 371 CO -0.00 0.71 0.18 0.28 -2.23 0.00 0.00 178.31 177.25 3gqc h VAL 372 N 0.63 1.13 -0.91 1.41 2.07 -0.75 -2.63 116.25 117.20 3gqc h VAL 372 Ca 0.15 -0.33 0.23 0.00 0.82 0.00 0.00 66.70 67.57 3gqc h VAL 372 Cb 0.31 0.77 -0.13 0.00 -1.52 0.00 0.00 31.29 30.72 3gqc h VAL 372 CO 0.00 0.13 0.40 0.78 0.02 0.00 0.00 177.57 178.90 3gqc h ASN 373 N 0.40 0.33 -0.50 0.57 2.35 -1.13 -1.55 115.58 116.05 3gqc h ASN 373 Ca 0.11 0.16 0.01 0.00 -0.55 0.00 0.00 56.30 56.03 3gqc h ASN 373 Cb 0.05 0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 3gqc h ASN 373 CO -0.02 -0.02 0.33 0.74 -1.65 0.00 0.00 177.43 176.81 3gqc h THR 374 N 0.38 1.13 0.00 2.81 2.02 -1.07 -2.99 112.91 115.19 3gqc h THR 374 Ca 0.58 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.51 3gqc h THR 374 Cb 1.12 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3gqc h THR 374 CO -0.54 0.12 -0.09 -0.07 0.37 0.00 0.00 175.52 175.31 3gqc h LEU 375 N 0.67 0.00 -1.36 2.58 3.38 -1.15 -2.08 115.31 117.36 3gqc h LEU 375 Ca 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3gqc h LEU 375 Cb -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3gqc h LEU 375 CO -0.04 0.09 0.05 1.56 0.09 0.00 0.00 178.44 180.19 3gqc h GLN 376 N 0.00 0.48 0.00 1.13 7.50 -1.43 -2.85 115.11 119.94 3gqc h GLN 376 Ca -0.00 -0.08 0.00 0.00 0.50 0.00 0.00 58.65 59.07 3gqc h GLN 376 Cb 0.25 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.70 3gqc h GLN 376 CO 0.01 0.47 0.00 0.54 -1.50 0.00 0.00 178.83 178.35 3gqc n ARG 377 N -4.33 0.09 0.00 1.46 3.00 -0.78 -5.17 116.66 110.93 3gqc n ARG 377 Ca 0.02 0.54 0.00 0.00 -0.01 0.00 0.00 57.85 58.40 3gqc n ARG 377 Cb 0.20 -1.77 0.00 0.00 0.00 0.00 0.00 32.46 30.89 3gqc n ARG 377 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3gqc n GLN 378 N -1.95 1.73 -3.10 5.56 10.64 -1.08 -5.18 117.38 123.99 3gqc n GLN 378 Ca -0.00 0.00 0.04 0.00 -1.83 0.00 0.00 57.00 55.21 3gqc n GLN 378 Cb 0.05 0.00 -0.00 0.00 -0.86 0.00 0.00 30.24 29.43 3gqc n GLN 378 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3gqc s PHE 383 N 0.00 -0.96 0.49 2.61 2.99 -1.26 -5.12 117.98 116.73 3gqc s PHE 383 Ca 0.00 0.47 0.40 0.00 0.00 0.00 0.00 56.93 57.81 3gqc s PHE 383 Cb 0.00 0.17 1.59 0.00 0.00 0.00 0.00 43.02 44.78 3gqc s PHE 383 CO 0.00 -0.58 1.56 -2.30 -0.00 0.00 0.00 175.22 173.90 3gqc n PRO 384 N 4.95 -0.02 0.00 0.24 -0.02 -1.23 -4.90 135.00 134.02 3gqc n PRO 384 Ca 0.08 1.18 0.00 0.00 -2.02 0.00 0.00 63.50 62.74 3gqc n PRO 384 Cb 0.57 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3gqc n PRO 384 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gqc n GLY 385 N -1.69 0.69 0.22 -1.23 0.00 -0.62 -5.07 105.19 97.49 3gqc n GLY 385 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 3gqc n GLY 385 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqc n GLN 416 N 0.00 0.00 -1.40 1.61 0.00 -1.26 -5.02 117.38 111.31 3gqc n GLN 416 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.00 56.67 3gqc n GLN 416 Cb 0.00 -0.07 0.09 0.00 0.00 0.00 0.00 30.24 30.26 3gqc n GLN 416 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3gqc s SER 417 N 0.00 4.25 -0.09 2.61 0.15 -1.26 -5.02 113.70 114.34 3gqc s SER 417 Ca 0.00 2.23 -0.01 0.00 0.70 0.00 0.00 55.95 58.87 3gqc s SER 417 Cb 0.00 -2.57 0.03 0.00 -1.71 0.00 0.00 66.02 61.76 3gqc s SER 417 CO 0.00 -2.22 -0.02 0.00 1.20 0.00 0.00 173.24 172.20 3gqc s ILE 419 N 1.90 3.17 -0.13 0.00 -1.09 0.14 -2.00 121.20 123.19 3gqc s ILE 419 Ca 0.05 -0.67 0.01 0.00 -2.23 0.00 0.00 60.65 57.81 3gqc s ILE 419 Cb -0.12 -2.27 -0.01 0.00 -1.58 0.00 0.00 42.46 38.48 3gqc s ILE 419 CO -0.06 0.57 -0.17 -0.32 -1.23 0.00 0.00 174.94 173.74 3gqc s MET 420 N -0.46 3.25 -0.23 2.79 -2.45 0.81 -1.61 119.30 121.40 3gqc s MET 420 Ca 0.06 -0.76 -0.02 0.00 -1.25 0.00 0.00 55.69 53.72 3gqc s MET 420 Cb -0.12 -2.53 0.01 0.00 1.25 0.00 0.00 34.83 33.44 3gqc s MET 420 CO 0.02 0.16 -0.08 -1.58 1.05 0.00 0.00 175.02 174.59 3gqc s HIS 421 N 0.45 2.98 -0.09 4.11 2.46 0.90 -0.09 115.29 126.01 3gqc s HIS 421 Ca -0.12 -1.37 0.02 0.00 0.47 0.00 0.00 55.06 54.06 3gqc s HIS 421 Cb -0.16 -2.05 -0.02 0.00 -0.13 0.00 0.00 32.58 30.22 3gqc s HIS 421 CO 0.05 -0.69 -0.15 0.54 -2.47 0.00 0.00 174.74 172.03 3gqc s VAL 422 N 1.37 2.97 -0.21 0.89 0.11 -0.39 -1.32 120.40 123.82 3gqc s VAL 422 Ca 0.03 -0.72 -0.05 0.00 -2.93 0.00 0.00 61.98 58.31 3gqc s VAL 422 Cb -0.15 -2.20 0.11 0.00 -1.53 0.00 0.00 36.38 32.60 3gqc s VAL 422 CO -0.06 0.56 0.37 -0.62 -3.33 0.00 0.00 175.10 172.02 3gqc s ASP 423 N -0.12 0.14 0.33 3.54 -1.08 -0.62 -0.94 116.67 117.91 3gqc s ASP 423 Ca -0.02 0.53 -0.29 0.00 -0.52 0.00 0.00 52.55 52.25 3gqc s ASP 423 Cb -0.14 1.10 -0.11 0.00 -1.46 0.00 0.00 42.92 42.32 3gqc s ASP 423 CO 0.04 -0.27 1.46 -0.04 0.52 0.00 0.00 175.17 176.88 3gqc s MET 424 N 2.54 4.19 0.25 4.34 -1.94 0.12 -1.12 119.30 127.69 3gqc s MET 424 Ca 0.06 2.45 -0.30 0.00 -1.71 0.00 0.00 55.69 56.19 3gqc s MET 424 Cb -0.14 -3.02 -0.09 0.00 2.01 0.00 0.00 34.83 33.59 3gqc s MET 424 CO -0.13 -0.46 1.26 -0.51 -0.01 0.00 0.00 175.02 175.17 3gqc s ASP 425 N -0.00 6.94 -0.07 3.03 1.01 -0.88 -4.26 116.67 122.43 3gqc s ASP 425 Ca 0.55 2.45 -0.00 0.00 0.71 0.00 0.00 52.55 56.26 3gqc s ASP 425 Cb -0.45 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 40.86 3gqc s ASP 425 CO 0.55 -0.45 0.05 0.00 0.21 0.00 0.00 175.17 175.53 3gqc h PHE 427 N 1.02 -0.68 -0.60 0.00 3.57 -1.95 -0.87 116.94 117.44 3gqc h PHE 427 Ca -0.06 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 3gqc h PHE 427 Cb 0.12 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 3gqc h PHE 427 CO 0.02 -0.34 0.29 0.74 -2.23 0.00 0.00 178.31 176.79 3gqc h PHE 428 N -0.36 0.84 0.15 0.41 -1.00 -1.95 -2.06 116.94 112.97 3gqc h PHE 428 Ca 0.08 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 3gqc h PHE 428 Cb 0.47 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 39.77 3gqc h PHE 428 CO -0.32 0.61 -0.07 0.28 -1.61 0.00 0.00 178.31 177.20 3gqc h VAL 429 N 0.85 0.97 -0.56 -0.55 2.07 -1.52 -0.84 116.25 116.67 3gqc h VAL 429 Ca 0.21 -0.56 0.06 0.00 0.82 0.00 0.00 66.70 67.22 3gqc h VAL 429 Cb 0.08 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 3gqc h VAL 429 CO -0.03 0.13 0.28 0.28 0.02 0.00 0.00 177.57 178.25 3gqc h SER 430 N -0.48 0.39 -0.03 0.57 0.02 -1.04 -0.08 113.55 112.90 3gqc h SER 430 Ca -0.02 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3gqc h SER 430 Cb 0.37 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 3gqc h SER 430 CO 0.03 0.26 0.01 0.58 -1.14 0.00 0.00 176.83 176.57 3gqc h VAL 431 N 0.53 1.17 -0.30 2.27 2.07 -1.38 -2.38 116.25 118.23 3gqc h VAL 431 Ca 0.25 -0.51 0.09 0.00 0.82 0.00 0.00 66.70 67.35 3gqc h VAL 431 Cb 0.18 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3gqc h VAL 431 CO -0.19 0.14 0.25 1.23 0.02 0.00 0.00 177.57 179.02 3gqc h GLY 432 N -0.15 0.00 -1.48 2.17 0.00 -0.64 -2.78 103.07 100.19 3gqc h GLY 432 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3gqc h GLY 432 CO -0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.83 3gqc n ILE 433 N -4.14 1.45 -0.25 2.60 -5.35 -0.09 -4.65 119.36 108.93 3gqc n ILE 433 Ca 0.04 -1.29 0.05 0.00 -0.27 0.00 0.00 62.75 61.28 3gqc n ILE 433 Cb 0.41 0.24 0.16 0.00 -1.74 0.00 0.00 39.64 38.71 3gqc n ILE 433 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 3gqc h ARG 434 N 2.07 0.12 -0.73 6.28 3.08 -1.14 -2.53 114.38 121.54 3gqc h ARG 434 Ca 0.00 -0.01 -0.50 0.00 0.07 0.00 0.00 59.98 59.54 3gqc h ARG 434 Cb 0.99 -0.03 -0.31 0.00 0.08 0.00 0.00 29.97 30.71 3gqc h ARG 434 CO 0.08 0.08 -0.14 0.09 -1.07 0.00 0.00 179.97 179.01 3gqc n ASN 435 N -5.31 5.11 -3.13 7.04 5.03 -1.26 -4.72 115.26 118.02 3gqc n ASN 435 Ca 0.13 -3.77 -0.21 0.00 0.87 0.00 0.00 54.58 51.60 3gqc n ASN 435 Cb 0.46 -0.60 -0.05 0.00 -1.02 0.00 0.00 39.78 38.57 3gqc n ASN 435 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3gqc n ARG 436 N -0.88 0.76 0.21 3.52 1.74 -0.95 -4.97 116.66 116.08 3gqc n ARG 436 Ca 0.47 -3.05 0.15 0.00 -0.77 0.00 0.00 57.85 54.64 3gqc n ARG 436 Cb 0.91 -1.30 0.73 0.00 -1.02 0.00 0.00 32.46 31.78 3gqc n ARG 436 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3gqc h PRO 437 N 3.86 0.00 -0.79 5.56 0.13 -1.85 0.15 132.00 139.07 3gqc h PRO 437 Ca 0.05 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 65.39 3gqc h PRO 437 Cb 0.91 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.01 3gqc h PRO 437 CO 0.44 0.00 0.56 0.38 -0.23 0.00 0.00 178.00 179.15 3gqc h ASP 438 N 0.00 0.07 0.06 1.44 2.03 -1.93 -2.82 116.42 115.27 3gqc h ASP 438 Ca 0.00 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 3gqc h ASP 438 Cb 0.12 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.61 3gqc h ASP 438 CO 0.00 0.03 -0.33 0.18 -1.03 0.00 0.00 179.24 178.09 3gqc n LEU 439 N -4.34 1.79 -4.71 0.15 4.77 0.54 -4.92 117.00 110.28 3gqc n LEU 439 Ca 0.16 -0.61 -0.43 0.00 -0.03 0.00 0.00 56.01 55.10 3gqc n LEU 439 Cb 0.81 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.83 3gqc n LEU 439 CO 0.37 0.33 1.37 0.29 -1.33 0.00 0.00 177.39 178.41 3gqc n LYS 440 N -0.06 2.72 -2.21 3.23 4.76 -1.07 -2.58 118.16 122.95 3gqc n LYS 440 Ca 0.11 0.98 -0.16 0.00 -2.87 0.00 0.00 58.31 56.38 3gqc n LYS 440 Cb 0.44 -2.83 -0.01 0.00 -1.84 0.00 0.00 35.03 30.79 3gqc n LYS 440 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gqc n GLY 441 N 3.94 -0.09 3.47 0.72 0.00 -1.26 -5.02 105.19 106.96 3gqc n GLY 441 Ca 0.16 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 3gqc n GLY 441 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqc s LYS 442 N -4.63 1.69 -0.27 1.61 -0.14 -1.07 -4.96 119.74 111.97 3gqc s LYS 442 Ca 0.00 -1.75 -0.29 0.00 -1.36 0.00 0.00 55.97 52.57 3gqc s LYS 442 Cb 0.00 -1.78 -0.02 0.00 -1.68 0.00 0.00 37.83 34.35 3gqc s LYS 442 CO 0.00 0.33 1.58 -1.25 -0.76 0.00 0.00 175.35 175.25 3gqc s PRO 443 N -3.48 3.73 -0.00 -1.68 0.04 -1.26 -4.61 135.00 127.73 3gqc s PRO 443 Ca 0.30 1.50 0.01 0.00 0.04 0.00 0.00 61.00 62.84 3gqc s PRO 443 Cb -0.05 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.46 3gqc s PRO 443 CO 0.15 -1.37 -0.03 0.08 0.04 0.00 0.00 177.00 175.87 3gqc s VAL 444 N 5.33 0.22 -0.04 -0.36 1.01 -1.26 -1.95 120.40 123.35 3gqc s VAL 444 Ca 0.69 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.57 3gqc s VAL 444 Cb -0.22 -0.20 0.03 0.00 0.00 0.00 0.00 36.38 35.98 3gqc s VAL 444 CO 0.29 0.07 -0.01 0.00 0.00 0.00 0.00 175.10 175.46 3gqc s ALA 445 N 0.03 0.47 -0.03 5.51 0.00 -0.12 -0.39 121.76 127.23 3gqc s ALA 445 Ca 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 3gqc s ALA 445 Cb -0.02 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 3gqc s ALA 445 CO -0.00 -0.17 1.07 0.08 0.00 0.00 0.00 175.76 176.75 3gqc s VAL 446 N 1.27 4.56 -0.06 0.00 1.01 0.11 -1.31 120.40 125.98 3gqc s VAL 446 Ca -0.06 1.85 -0.30 0.00 0.00 0.00 0.00 61.98 63.47 3gqc s VAL 446 Cb -0.13 -4.18 0.09 0.00 0.00 0.00 0.00 36.38 32.16 3gqc s VAL 446 CO -0.02 0.08 0.81 0.28 0.00 0.00 0.00 175.10 176.25 3gqc s THR 447 N 1.54 0.00 0.28 3.92 -1.32 -0.23 -1.48 115.64 118.36 3gqc s THR 447 Ca 0.53 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 61.10 3gqc s THR 447 Cb -0.23 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.76 3gqc s THR 447 CO 0.24 0.00 1.65 0.77 -2.21 0.00 0.00 174.62 175.07 3gqc h SER 448 N 2.63 0.09 -3.95 8.08 4.64 -1.85 -3.38 113.55 119.81 3gqc h SER 448 Ca -0.24 -0.05 -0.53 0.00 -0.47 0.00 0.00 61.79 60.50 3gqc h SER 448 Cb 1.18 -0.03 0.10 0.00 -0.31 0.00 0.00 62.40 63.34 3gqc h SER 448 CO 0.35 0.62 0.70 0.21 -0.87 0.00 0.00 176.83 177.84 3gqc s ASN 449 N -6.88 6.25 0.00 4.97 3.84 -1.26 -4.90 114.94 116.96 3gqc s ASN 449 Ca -0.03 2.86 0.29 0.00 0.21 0.00 0.00 52.86 56.20 3gqc s ASN 449 Cb 0.13 -2.65 1.26 0.00 -0.55 0.00 0.00 41.25 39.44 3gqc s ASN 449 CO 0.76 -0.91 1.92 -2.11 -2.79 0.00 0.00 177.10 173.97 3gqc n ARG 450 N 0.23 0.17 0.00 0.43 -4.01 -1.26 -4.80 116.66 107.42 3gqc n ARG 450 Ca 0.03 -0.02 0.00 0.00 -1.04 0.00 0.00 57.85 56.82 3gqc n ARG 450 Cb 0.41 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.33 3gqc n ARG 450 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 3gqc n GLY 451 N 1.42 1.02 0.27 2.89 0.00 -1.26 -4.82 105.19 104.72 3gqc n GLY 451 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 3gqc n GLY 451 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gqc h THR 452 N 0.00 1.27 0.00 2.61 1.35 -1.97 -3.47 112.91 112.71 3gqc h THR 452 Ca 0.00 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 3gqc h THR 452 Cb 0.00 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 3gqc h THR 452 CO 0.00 0.48 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 3gqc n GLY 453 N -0.09 0.75 3.78 5.82 0.00 -1.26 -5.04 105.19 109.14 3gqc n GLY 453 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 3gqc n GLY 453 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gqc s ARG 454 N -0.07 2.38 0.01 1.61 3.03 -1.26 -0.47 118.95 124.17 3gqc s ARG 454 Ca 0.00 -1.64 -0.28 0.00 2.03 0.00 0.00 55.73 55.84 3gqc s ARG 454 Cb 0.00 -2.17 0.08 0.00 -1.03 0.00 0.00 34.95 31.83 3gqc s ARG 454 CO 0.00 -0.05 0.70 0.00 -1.13 0.00 0.00 175.30 174.82 3gqc s ALA 455 N -2.49 -1.74 0.46 7.88 0.00 -0.52 -4.36 121.76 120.98 3gqc s ALA 455 Ca 0.42 1.08 -0.24 0.00 0.00 0.00 0.00 51.96 53.21 3gqc s ALA 455 Cb -0.01 0.23 -0.09 0.00 0.00 0.00 0.00 23.12 23.26 3gqc s ALA 455 CO 0.24 -0.50 1.24 -2.30 0.00 0.00 0.00 175.76 174.44 3gqc n PRO 456 N 0.44 1.77 -1.71 0.00 -0.02 -1.26 -4.68 135.00 129.54 3gqc n PRO 456 Ca -0.17 0.64 -0.43 0.00 -2.02 0.00 0.00 63.50 61.52 3gqc n PRO 456 Cb 0.60 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 3gqc n PRO 456 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3gqc n LEU 457 N -0.05 3.71 -3.87 2.45 7.94 -1.26 -4.88 117.00 121.04 3gqc n LEU 457 Ca 0.08 1.17 -0.30 0.00 -1.11 0.00 0.00 56.01 55.85 3gqc n LEU 457 Cb 0.41 -1.50 -0.13 0.00 0.53 0.00 0.00 43.42 42.72 3gqc n LEU 457 CO 0.57 -0.26 -0.19 -0.13 -1.11 0.00 0.00 177.39 176.28 3gqc s ARG 458 N -0.97 1.83 0.39 1.96 0.52 -1.26 -5.00 118.95 116.41 3gqc s ARG 458 Ca 0.62 -2.53 0.14 0.00 -0.52 0.00 0.00 55.73 53.44 3gqc s ARG 458 Cb -0.57 -3.04 0.79 0.00 0.52 0.00 0.00 34.95 32.65 3gqc s ARG 458 CO 0.54 -1.14 1.86 -1.35 0.02 0.00 0.00 175.30 175.22 3gqc h PRO 459 N 6.44 0.00 0.00 3.54 0.11 -1.94 -2.47 132.00 137.67 3gqc h PRO 459 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3gqc h PRO 459 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3gqc h PRO 459 CO 0.63 0.34 0.00 0.41 -0.21 0.00 0.00 178.00 179.17 3gqc n GLY 460 N -0.53 -1.37 3.92 -0.55 0.00 -1.26 -4.93 105.19 100.47 3gqc n GLY 460 Ca -0.02 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 3gqc n GLY 460 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqc s ALA 461 N -2.96 3.40 -0.44 4.61 0.00 -0.93 -4.48 121.76 120.94 3gqc s ALA 461 Ca 0.14 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.49 3gqc s ALA 461 Cb 0.17 -2.55 0.16 0.00 0.00 0.00 0.00 23.12 20.90 3gqc s ALA 461 CO 0.47 -0.54 0.34 1.21 0.00 0.00 0.00 175.76 177.23 3gqc s ASN 462 N -4.20 2.17 0.45 0.00 3.84 -1.26 -4.99 114.94 110.94 3gqc s ASN 462 Ca 0.50 -3.04 0.23 0.00 0.21 0.00 0.00 52.86 50.76 3gqc s ASN 462 Cb -0.10 -0.62 1.04 0.00 -0.55 0.00 0.00 41.25 41.01 3gqc s ASN 462 CO 0.44 -0.18 1.89 1.55 -2.79 0.00 0.00 177.10 178.01 3gqc h PRO 463 N 5.83 0.00 -0.45 0.43 0.13 -1.96 -2.59 132.00 133.38 3gqc h PRO 463 Ca 0.21 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.24 3gqc h PRO 463 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 3gqc h PRO 463 CO 0.41 0.23 -0.11 1.96 -0.23 0.00 0.00 178.00 180.27 3gqc h GLN 464 N 0.00 0.87 -0.66 0.86 7.50 -1.99 -0.84 115.11 120.85 3gqc h GLN 464 Ca -0.00 -0.33 0.00 0.00 0.50 0.00 0.00 58.65 58.82 3gqc h GLN 464 Cb 0.63 -0.05 -0.03 0.00 0.05 0.00 0.00 27.48 28.07 3gqc h GLN 464 CO 0.03 0.97 0.42 1.25 -1.50 0.00 0.00 178.83 180.01 3gqc h LEU 465 N 0.71 0.78 -0.62 1.46 5.85 -1.93 -1.77 115.31 119.79 3gqc h LEU 465 Ca 0.11 -0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.65 3gqc h LEU 465 Cb 0.65 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3gqc h LEU 465 CO 0.04 0.59 -0.57 -0.33 -0.34 0.00 0.00 178.44 177.83 3gqc h GLU 466 N 0.90 0.37 -0.34 1.25 3.07 -1.26 -1.28 114.58 117.29 3gqc h GLU 466 Ca 0.24 -0.24 -0.16 0.00 -0.50 0.00 0.00 59.36 58.70 3gqc h GLU 466 Cb -0.07 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 3gqc h GLU 466 CO -0.05 0.84 -0.43 0.11 -1.40 0.00 0.00 179.01 178.07 3gqc h TRP 467 N 0.28 1.05 -0.06 4.33 0.09 -1.09 -1.01 115.95 119.54 3gqc h TRP 467 Ca 0.00 -0.33 -0.00 0.00 0.09 0.00 0.00 58.89 58.65 3gqc h TRP 467 Cb 1.08 -0.22 -0.00 0.00 0.08 0.00 0.00 29.16 30.10 3gqc h TRP 467 CO 0.03 1.14 0.02 0.37 0.09 0.00 0.00 178.44 180.10 3gqc h GLN 468 N 0.70 0.10 -0.06 0.12 5.75 -1.19 -2.40 115.11 118.12 3gqc h GLN 468 Ca 0.05 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.54 3gqc h GLN 468 Cb 1.02 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.55 3gqc h GLN 468 CO 0.10 0.25 0.05 -0.92 -2.65 0.00 0.00 178.83 175.66 3gqc h TYR 469 N -0.08 0.00 0.00 3.99 3.20 -1.26 -1.98 116.97 120.84 3gqc h TYR 469 Ca 0.02 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 3gqc h TYR 469 Cb 0.19 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 3gqc h TYR 469 CO -0.01 0.00 -0.12 1.88 -1.64 0.00 0.00 178.16 178.27 3gqc h TYR 470 N 0.00 0.00 0.11 -3.82 0.05 -0.66 -2.79 116.97 109.87 3gqc h TYR 470 Ca 0.03 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.51 3gqc h TYR 470 Cb 0.12 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 3gqc h TYR 470 CO 0.00 0.12 -1.46 1.96 -1.05 0.00 0.00 178.16 177.73 3gqc h GLN 471 N 0.00 0.23 0.00 4.88 7.50 -1.21 -3.51 115.11 122.99 3gqc h GLN 471 Ca -0.00 -0.39 -0.09 0.00 0.50 0.00 0.00 58.65 58.68 3gqc h GLN 471 Cb 0.36 0.14 -0.01 0.00 0.05 0.00 0.00 27.48 28.02 3gqc h GLN 471 CO 0.02 1.10 -0.41 -0.91 -1.50 0.00 0.00 178.83 177.13 3gqc h ASN 472 N 0.06 0.00 0.00 1.46 2.35 -1.34 -3.53 115.58 114.59 3gqc h ASN 472 Ca -0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 3gqc h ASN 472 Cb 1.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.36 3gqc h ASN 472 CO 0.16 0.41 0.00 -0.67 -1.65 0.00 0.00 177.43 175.68 3gqc n ASP 500 N -3.59 0.00 -0.35 5.81 4.64 -1.26 -4.97 116.55 116.83 3gqc n ASP 500 Ca -0.00 0.00 0.37 0.00 -1.38 0.00 0.00 54.79 53.78 3gqc n ASP 500 Cb 0.52 0.00 0.75 0.00 -1.04 0.00 0.00 41.12 41.35 3gqc n ASP 500 CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 3gqc h SER 501 N 0.00 0.00 -0.21 1.67 4.64 -2.00 -0.14 113.55 117.51 3gqc h SER 501 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gqc h SER 501 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gqc h SER 501 CO 0.00 0.00 0.00 0.55 -0.87 0.00 0.00 176.83 176.51 3gqc n VAL 502 N -4.07 0.56 -2.33 0.95 3.14 -1.26 -4.12 118.33 111.20 3gqc n VAL 502 Ca 0.27 -0.78 -0.41 0.00 -2.96 0.00 0.00 64.34 60.47 3gqc n VAL 502 Cb 1.35 0.83 -0.03 0.00 -1.06 0.00 0.00 33.84 34.92 3gqc n VAL 502 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3gqc s LEU 503 N -0.99 4.49 0.46 6.55 1.02 -0.07 -1.44 118.68 128.70 3gqc s LEU 503 Ca 0.20 2.41 -0.24 0.00 0.02 0.00 0.00 54.13 56.52 3gqc s LEU 503 Cb 0.11 -3.63 -0.07 0.00 0.02 0.00 0.00 46.19 42.62 3gqc s LEU 503 CO 0.16 -0.32 1.32 -0.55 0.02 0.00 0.00 176.35 176.97 3gqc s SER 504 N -0.57 5.94 -0.13 2.29 0.15 0.38 -4.58 113.70 117.18 3gqc s SER 504 Ca 0.48 2.67 0.14 0.00 0.70 0.00 0.00 55.95 59.94 3gqc s SER 504 Cb -0.35 -2.63 0.31 0.00 -1.71 0.00 0.00 66.02 61.64 3gqc s SER 504 CO 0.44 -1.11 1.16 0.54 1.20 0.00 0.00 173.24 175.47 3gqc n ARG 505 N -0.33 1.07 -2.04 5.44 1.74 -1.26 -1.74 116.66 119.54 3gqc n ARG 505 Ca 0.06 -2.56 -0.41 0.00 -0.77 0.00 0.00 57.85 54.16 3gqc n ARG 505 Cb 0.44 -1.24 -0.02 0.00 -1.02 0.00 0.00 32.46 30.62 3gqc n ARG 505 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gqc s ALA 506 N -2.30 3.62 0.49 7.54 0.00 -1.26 -4.81 121.76 125.04 3gqc s ALA 506 Ca 0.30 1.29 -0.21 0.00 0.00 0.00 0.00 51.96 53.34 3gqc s ALA 506 Cb 0.29 -3.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.78 3gqc s ALA 506 CO -0.03 -0.71 1.07 -1.21 0.00 0.00 0.00 175.76 174.88 3gqc s GLU 507 N -0.14 3.74 -0.25 0.00 2.02 -1.26 -0.69 118.70 122.13 3gqc s GLU 507 Ca 0.60 1.47 -0.23 0.00 0.02 0.00 0.00 54.97 56.82 3gqc s GLU 507 Cb -0.41 -2.15 -0.01 0.00 0.10 0.00 0.00 34.13 31.66 3gqc s GLU 507 CO 0.41 -0.50 0.77 0.42 0.02 0.00 0.00 175.26 176.38 3gqc s ILE 508 N -1.86 4.88 -0.01 -1.63 1.01 0.42 -4.51 121.20 119.50 3gqc s ILE 508 Ca 0.67 1.45 -0.20 0.00 0.00 0.00 0.00 60.65 62.56 3gqc s ILE 508 Cb -0.20 -4.07 -0.25 0.00 0.01 0.00 0.00 42.46 37.96 3gqc s ILE 508 CO 0.23 -0.05 1.06 0.00 0.00 0.00 0.00 174.94 176.18 3gqc h ALA 509 N 7.74 0.04 -3.07 9.38 0.00 -1.59 0.20 119.26 131.97 3gqc h ALA 509 Ca -0.24 -0.59 -0.17 0.00 0.00 0.00 0.00 54.91 53.91 3gqc h ALA 509 Cb 1.10 0.05 -0.26 0.00 0.00 0.00 0.00 17.79 18.67 3gqc h ALA 509 CO 0.85 0.35 -0.42 0.45 0.00 0.00 0.00 179.25 180.48 3gqc s SER 510 N -6.79 -0.28 0.13 0.00 0.15 -1.25 -4.58 113.70 101.08 3gqc s SER 510 Ca -0.13 0.54 0.10 0.00 0.70 0.00 0.00 55.95 57.16 3gqc s SER 510 Cb 0.03 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 64.82 3gqc s SER 510 CO 0.82 -0.11 -0.23 0.00 1.20 0.00 0.00 173.24 174.92 3gqc s SER 512 N -2.17 3.51 0.39 0.00 1.04 0.48 -4.83 113.70 112.12 3gqc s SER 512 Ca 0.13 1.82 0.06 0.00 0.48 0.00 0.00 55.95 58.44 3gqc s SER 512 Cb -0.09 -2.43 0.78 0.00 0.10 0.00 0.00 66.02 64.38 3gqc s SER 512 CO 0.06 -2.67 2.00 1.88 0.98 0.00 0.00 173.24 175.50 3gqc h TYR 513 N -1.57 0.52 -0.82 5.02 0.05 -1.91 -2.07 116.97 116.20 3gqc h TYR 513 Ca -0.46 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.28 3gqc h TYR 513 Cb 1.26 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 38.79 3gqc h TYR 513 CO 0.49 0.39 0.40 0.93 -1.05 0.00 0.00 178.16 179.32 3gqc h GLU 514 N 0.54 1.17 -0.53 4.88 3.07 -1.92 -1.46 114.58 120.33 3gqc h GLU 514 Ca 0.14 -0.17 -0.07 0.00 -0.50 0.00 0.00 59.36 58.76 3gqc h GLU 514 Cb 0.06 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.73 3gqc h GLU 514 CO -0.02 0.90 0.04 0.00 -1.40 0.00 0.00 179.01 178.53 3gqc h ALA 515 N 1.27 1.06 -0.03 3.43 0.00 -1.64 -2.69 119.26 120.66 3gqc h ALA 515 Ca 0.28 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3gqc h ALA 515 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3gqc h ALA 515 CO -0.04 0.59 -0.36 0.00 0.00 0.00 0.00 179.25 179.44 3gqc h ARG 516 N 0.82 0.06 -0.79 0.00 3.08 -0.91 -1.96 114.38 114.68 3gqc h ARG 516 Ca 0.16 -0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.31 3gqc h ARG 516 Cb 0.44 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.40 3gqc h ARG 516 CO 0.02 0.42 0.40 1.96 -1.07 0.00 0.00 179.97 181.69 3gqc h GLN 517 N 0.05 0.61 -0.28 0.04 4.20 -0.94 -1.33 115.11 117.46 3gqc h GLN 517 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3gqc h GLN 517 Cb 0.67 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3gqc h GLN 517 CO 0.05 0.40 0.00 1.28 -0.67 0.00 0.00 178.83 179.89 3gqc n LEU 518 N -4.86 1.58 0.00 1.46 4.77 -0.80 -4.91 117.00 114.24 3gqc n LEU 518 Ca 0.14 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 3gqc n LEU 518 Cb 0.35 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3gqc n LEU 518 CO 0.23 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3gqc n GLY 519 N 1.00 0.42 3.77 -0.72 0.00 -0.50 -4.90 105.19 104.26 3gqc n GLY 519 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3gqc n GLY 519 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqc s ILE 520 N -2.00 3.42 0.02 -0.61 1.01 -0.83 -4.96 121.20 117.24 3gqc s ILE 520 Ca 0.00 1.16 -0.01 0.00 0.00 0.00 0.00 60.65 61.80 3gqc s ILE 520 Cb 0.00 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 3gqc s ILE 520 CO 0.00 0.08 -0.02 -0.54 0.00 0.00 0.00 174.94 174.46 3gqc s LYS 521 N -2.32 0.34 0.31 2.79 1.02 -1.26 -3.94 119.74 116.68 3gqc s LYS 521 Ca 0.57 -0.63 -0.28 0.00 0.02 0.00 0.00 55.97 55.65 3gqc s LYS 521 Cb -0.27 0.12 -0.13 0.00 -0.52 0.00 0.00 37.83 37.03 3gqc s LYS 521 CO 0.34 -0.06 1.22 0.09 -0.92 0.00 0.00 175.35 176.02 3gqc n ASN 522 N 1.52 2.30 0.00 2.83 3.02 -1.26 -2.28 115.26 121.39 3gqc n ASN 522 Ca -0.23 1.19 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 3gqc n ASN 522 Cb 0.55 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.31 3gqc n ASN 522 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gqc n GLY 523 N 1.06 2.97 3.76 7.41 0.00 0.72 -4.99 105.19 116.12 3gqc n GLY 523 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 3gqc n GLY 523 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gqc s MET 524 N -0.55 3.60 0.26 1.61 0.00 -0.96 -4.54 119.30 118.71 3gqc s MET 524 Ca 0.00 1.99 -0.30 0.00 0.00 0.00 0.00 55.69 57.39 3gqc s MET 524 Cb 0.00 -2.42 -0.10 0.00 0.00 0.00 0.00 34.83 32.31 3gqc s MET 524 CO 0.00 -0.75 1.35 -0.06 0.00 0.00 0.00 175.02 175.56 3gqc s PHE 525 N -1.41 3.12 0.21 4.11 0.08 -1.26 -0.44 117.98 122.39 3gqc s PHE 525 Ca 0.65 1.22 -0.10 0.00 0.12 0.00 0.00 56.93 58.83 3gqc s PHE 525 Cb -0.34 -3.69 0.18 0.00 -0.57 0.00 0.00 43.02 38.60 3gqc s PHE 525 CO 0.42 -2.11 1.88 0.35 -0.10 0.00 0.00 175.22 175.65 3gqc h PHE 526 N 4.61 0.95 -0.29 0.36 3.04 -1.06 -2.35 116.94 122.21 3gqc h PHE 526 Ca -0.46 0.02 0.07 0.00 3.98 0.00 0.00 57.97 61.58 3gqc h PHE 526 Cb 1.22 -0.32 -0.07 0.00 2.56 0.00 0.00 35.95 39.33 3gqc h PHE 526 CO 0.59 0.58 -0.22 0.78 -2.02 0.00 0.00 178.31 178.02 3gqc h GLY 527 N 1.02 -0.08 1.43 2.40 0.00 -1.54 0.23 103.07 106.52 3gqc h GLY 527 Ca 0.29 0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.89 3gqc h GLY 527 CO -0.08 -0.19 0.28 0.84 0.00 0.00 0.00 176.54 177.38 3gqc h HIS 528 N -0.20 0.73 -0.36 5.60 -0.00 -1.72 -2.89 115.15 116.31 3gqc h HIS 528 Ca 0.15 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.43 3gqc h HIS 528 Cb 0.44 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.61 3gqc h HIS 528 CO -0.40 0.53 -0.09 0.00 -0.00 0.00 0.00 177.93 177.97 3gqc h ALA 529 N 1.55 0.50 0.00 5.26 0.00 -0.69 -2.20 119.26 123.68 3gqc h ALA 529 Ca 0.19 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3gqc h ALA 529 Cb 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3gqc h ALA 529 CO -0.03 0.35 0.00 1.17 0.00 0.00 0.00 179.25 180.74 3gqc n LYS 530 N -4.39 0.04 0.01 0.00 0.00 -0.05 -0.73 118.16 113.04 3gqc n LYS 530 Ca -0.02 0.32 -0.01 0.00 0.00 0.00 0.00 58.31 58.60 3gqc n LYS 530 Cb 0.35 -1.57 -0.10 0.00 0.00 0.00 0.00 35.03 33.70 3gqc n LYS 530 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3gqc n GLN 531 N -1.64 0.63 0.07 1.64 6.02 -0.94 -2.72 117.38 120.44 3gqc n GLN 531 Ca 0.03 0.17 0.13 0.00 -0.01 0.00 0.00 57.00 57.31 3gqc n GLN 531 Cb 0.16 -1.75 0.38 0.00 1.02 0.00 0.00 30.24 30.04 3gqc n GLN 531 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3gqc n LEU 532 N -2.83 0.64 -3.03 1.08 4.77 0.10 -4.64 117.00 113.09 3gqc n LEU 532 Ca -0.12 0.45 -0.00 0.00 -0.03 0.00 0.00 56.01 56.30 3gqc n LEU 532 Cb 0.87 -0.31 -0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3gqc n LEU 532 CO 0.43 -0.10 0.16 0.00 -1.33 0.00 0.00 177.39 176.55 3gqc h PRO 534 N 6.21 0.00 -0.61 0.00 0.11 -1.77 -2.26 132.00 133.67 3gqc h PRO 534 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3gqc h PRO 534 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3gqc h PRO 534 CO 0.05 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.93 3gqc n ASN 535 N -2.49 4.38 -4.64 -2.05 5.03 -1.26 -4.97 115.26 109.26 3gqc n ASN 535 Ca -0.01 -2.35 -0.47 0.00 0.87 0.00 0.00 54.58 52.62 3gqc n ASN 535 Cb 0.07 -0.52 -0.04 0.00 -1.02 0.00 0.00 39.78 38.26 3gqc n ASN 535 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 3gqc n LEU 536 N 1.07 3.37 -4.77 3.41 0.00 -0.85 -4.89 117.00 114.35 3gqc n LEU 536 Ca 0.24 0.77 -0.40 0.00 0.00 0.00 0.00 56.01 56.62 3gqc n LEU 536 Cb 0.79 -1.41 -0.06 0.00 0.00 0.00 0.00 43.42 42.74 3gqc n LEU 536 CO 0.20 -0.20 0.45 -1.58 0.00 0.00 0.00 177.39 176.27 3gqc s GLN 537 N 4.80 4.50 -0.21 1.96 2.00 -0.82 -4.96 119.66 126.93 3gqc s GLN 537 Ca 0.96 1.07 -0.09 0.00 -2.00 0.00 0.00 55.36 55.30 3gqc s GLN 537 Cb -0.61 -3.30 -0.05 0.00 0.80 0.00 0.00 33.01 29.85 3gqc s GLN 537 CO 0.47 0.45 0.11 0.00 -0.50 0.00 0.00 175.29 175.82 3gqc s ALA 538 N -0.66 3.54 -0.02 1.58 0.00 -1.26 -0.94 121.76 124.00 3gqc s ALA 538 Ca 0.36 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.58 3gqc s ALA 538 Cb -0.22 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 3gqc s ALA 538 CO 0.24 0.04 -0.15 0.08 0.00 0.00 0.00 175.76 175.97 3gqc s VAL 539 N 0.61 3.03 0.37 0.00 1.01 -0.42 -4.83 120.40 120.17 3gqc s VAL 539 Ca 0.06 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 3gqc s VAL 539 Cb -0.12 -2.22 -0.07 0.00 0.00 0.00 0.00 36.38 33.97 3gqc s VAL 539 CO 0.01 0.51 0.73 -2.16 0.00 0.00 0.00 175.10 174.19 3gqc s PRO 540 N -0.96 3.80 0.28 2.72 0.04 -1.26 -1.06 135.00 138.55 3gqc s PRO 540 Ca 0.13 0.44 -0.29 0.00 0.04 0.00 0.00 61.00 61.32 3gqc s PRO 540 Cb -0.11 -2.44 -0.14 0.00 0.04 0.00 0.00 34.50 31.86 3gqc s PRO 540 CO 0.02 0.04 1.08 0.66 0.04 0.00 0.00 177.00 178.84 3gqc n TYR 541 N -1.04 1.42 -3.47 0.56 4.02 -1.26 -4.88 117.16 112.51 3gqc n TYR 541 Ca 0.02 0.67 -0.28 0.00 -0.01 0.00 0.00 57.90 58.31 3gqc n TYR 541 Cb 0.54 -2.28 -0.11 0.00 -0.02 0.00 0.00 39.34 37.47 3gqc n TYR 541 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3gqc s ASP 542 N -0.41 2.15 0.16 7.72 -1.08 -1.26 -5.03 116.67 118.92 3gqc s ASP 542 Ca 0.61 -2.97 -0.13 0.00 -0.52 0.00 0.00 52.55 49.54 3gqc s ASP 542 Cb -0.70 -0.58 0.05 0.00 -1.46 0.00 0.00 42.92 40.23 3gqc s ASP 542 CO 0.59 -0.19 1.72 -0.26 0.52 0.00 0.00 175.17 177.54 3gqc h PHE 543 N 5.92 0.81 -0.04 -5.34 0.04 -1.98 -2.14 116.94 114.20 3gqc h PHE 543 Ca 0.20 -0.06 0.01 0.00 2.80 0.00 0.00 57.97 60.93 3gqc h PHE 543 Cb 0.91 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 38.81 3gqc h PHE 543 CO 0.35 0.66 0.03 1.25 -0.60 0.00 0.00 178.31 180.00 3gqc h HIS 544 N 0.72 0.00 0.21 -0.55 2.76 -1.99 -1.88 115.15 114.43 3gqc h HIS 544 Ca 0.18 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 58.02 3gqc h HIS 544 Cb 0.19 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.17 3gqc h HIS 544 CO 0.00 0.00 -1.52 0.00 -1.30 0.00 0.00 177.93 175.12 3gqc h ALA 545 N 1.98 -0.02 -0.65 5.26 0.00 -1.85 -2.91 119.26 121.07 3gqc h ALA 545 Ca 0.02 -0.95 0.04 0.00 0.00 0.00 0.00 54.91 54.02 3gqc h ALA 545 Cb 0.08 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3gqc h ALA 545 CO -0.00 0.84 0.38 1.88 0.00 0.00 0.00 179.25 182.36 3gqc h TYR 546 N 0.12 0.72 -0.75 0.00 0.05 -1.16 -2.21 116.97 113.73 3gqc h TYR 546 Ca -0.26 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.49 3gqc h TYR 546 Cb 2.12 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 39.60 3gqc h TYR 546 CO 0.11 0.38 0.25 -0.22 -1.05 0.00 0.00 178.16 177.63 3gqc h LYS 547 N 0.74 1.15 -0.65 4.88 3.64 -1.42 -1.03 116.57 123.89 3gqc h LYS 547 Ca 0.27 -0.24 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 3gqc h LYS 547 Cb 0.08 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 3gqc h LYS 547 CO -0.13 0.97 0.11 1.49 -2.27 0.00 0.00 179.45 179.62 3gqc h GLU 548 N 1.11 1.07 -0.37 1.90 4.22 -1.30 -2.28 114.58 118.93 3gqc h GLU 548 Ca 0.24 -0.29 -0.11 0.00 0.08 0.00 0.00 59.36 59.29 3gqc h GLU 548 Cb 0.29 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3gqc h GLU 548 CO -0.01 0.99 -0.20 0.28 -2.18 0.00 0.00 179.01 177.89 3gqc h VAL 549 N 0.99 1.28 -0.12 0.32 2.07 -1.09 -1.36 116.25 118.34 3gqc h VAL 549 Ca 0.20 -1.34 0.01 0.00 0.82 0.00 0.00 66.70 66.39 3gqc h VAL 549 Cb 0.43 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3gqc h VAL 549 CO 0.01 0.44 0.06 0.00 0.02 0.00 0.00 177.57 178.10 3gqc h ALA 550 N 0.79 0.14 -0.26 1.67 0.00 -1.15 0.78 119.26 121.23 3gqc h ALA 550 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3gqc h ALA 550 Cb 0.76 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3gqc h ALA 550 CO 0.06 -0.39 0.04 1.96 0.00 0.00 0.00 179.25 180.92 3gqc h GLN 551 N 0.13 0.13 -0.45 0.00 4.20 -1.35 -1.12 115.11 116.65 3gqc h GLN 551 Ca 0.05 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.81 3gqc h GLN 551 Cb 0.01 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.70 3gqc h GLN 551 CO -0.03 0.09 0.13 1.15 -0.67 0.00 0.00 178.83 179.49 3gqc h THR 552 N 0.13 0.82 -0.07 -0.54 2.02 -0.91 0.43 112.91 114.78 3gqc h THR 552 Ca 0.12 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.24 3gqc h THR 552 Cb 0.13 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 66.99 3gqc h THR 552 CO -0.17 0.05 -0.40 0.25 0.37 0.00 0.00 175.52 175.62 3gqc h LEU 553 N 0.29 -1.25 -0.21 2.58 5.85 -0.09 0.19 115.31 122.67 3gqc h LEU 553 Ca 0.21 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 3gqc h LEU 553 Cb 0.24 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3gqc h LEU 553 CO -0.24 -0.43 0.10 1.88 -0.34 0.00 0.00 178.44 179.41 3gqc h TYR 554 N -0.51 0.30 -0.48 1.25 -1.99 -0.84 -0.99 116.97 113.70 3gqc h TYR 554 Ca 0.07 -0.01 0.10 0.00 2.00 0.00 0.00 58.73 60.88 3gqc h TYR 554 Cb 0.63 -0.09 -0.08 0.00 2.00 0.00 0.00 36.73 39.18 3gqc h TYR 554 CO -0.45 0.29 -0.03 0.93 -0.00 0.00 0.00 178.16 178.90 3gqc h GLU 555 N 0.21 0.08 -0.59 4.88 5.08 -0.72 0.17 114.58 123.69 3gqc h GLU 555 Ca 0.07 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 3gqc h GLU 555 Cb 0.11 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 3gqc h GLU 555 CO -0.01 0.05 0.30 1.15 -1.00 0.00 0.00 179.01 179.50 3gqc h THR 556 N 0.08 0.93 -0.39 1.13 2.02 -0.14 -1.51 112.91 115.03 3gqc h THR 556 Ca 0.24 -0.19 -0.08 0.00 0.77 0.00 0.00 66.41 67.15 3gqc h THR 556 Cb 0.37 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3gqc h THR 556 CO -0.43 0.10 -0.08 -0.07 0.37 0.00 0.00 175.52 175.41 3gqc h LEU 557 N 0.56 0.65 -1.13 2.58 3.38 -0.35 -2.89 115.31 118.11 3gqc h LEU 557 Ca 0.27 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.12 3gqc h LEU 557 Cb 0.19 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 3gqc h LEU 557 CO -0.19 0.78 0.60 0.00 0.09 0.00 0.00 178.44 179.71 3gqc h ALA 558 N 1.29 1.48 0.00 1.53 0.00 0.33 -2.03 119.26 121.86 3gqc h ALA 558 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gqc h ALA 558 Cb 0.51 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3gqc h ALA 558 CO 0.03 0.39 0.00 -1.13 0.00 0.00 0.00 179.25 178.54 3gqc n SER 559 N -4.48 0.00 -0.02 0.00 3.41 -0.94 -2.33 113.62 109.26 3gqc n SER 559 Ca 0.13 -0.65 -0.03 0.00 -0.26 0.00 0.00 58.87 58.06 3gqc n SER 559 Cb 0.17 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 3gqc n SER 559 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3gqc n TYR 560 N -0.78 0.00 -3.69 7.33 4.02 -0.78 -1.59 117.16 121.67 3gqc n TYR 560 Ca 0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.90 3gqc n TYR 560 Cb 0.03 -0.23 -0.02 0.00 -0.02 0.00 0.00 39.34 39.11 3gqc n TYR 560 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3gqc s THR 561 N -2.11 0.00 -0.62 -0.72 -1.32 -0.99 -4.93 115.64 104.95 3gqc s THR 561 Ca -0.04 -0.51 0.08 0.00 -1.21 0.00 0.00 61.69 60.01 3gqc s THR 561 Cb 0.02 -1.75 0.23 0.00 -1.51 0.00 0.00 72.50 69.48 3gqc s THR 561 CO 0.17 0.00 1.19 1.41 -2.21 0.00 0.00 174.62 175.18 3gqc n HIS 562 N -0.42 0.35 -1.80 9.09 8.25 -1.26 -4.06 115.22 125.37 3gqc n HIS 562 Ca -0.07 -0.53 -0.41 0.00 -0.26 0.00 0.00 57.72 56.46 3gqc n HIS 562 Cb 0.61 -0.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.66 3gqc n HIS 562 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3gqc n ASN 563 N 0.15 6.60 -4.30 0.41 4.05 -1.26 -4.86 115.26 116.05 3gqc n ASN 563 Ca 0.09 -2.89 -0.31 0.00 0.45 0.00 0.00 54.58 51.92 3gqc n ASN 563 Cb 0.40 -1.52 -0.16 0.00 1.23 0.00 0.00 39.78 39.73 3gqc n ASN 563 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3gqc s ILE 564 N 1.21 2.02 -0.21 -1.44 1.01 -1.26 -1.88 121.20 120.65 3gqc s ILE 564 Ca 0.54 -1.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 3gqc s ILE 564 Cb 0.15 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.95 3gqc s ILE 564 CO -0.06 0.56 -0.09 -0.70 0.00 0.00 0.00 174.94 174.65 3gqc s GLU 565 N -0.62 3.18 0.00 2.79 2.12 0.33 -4.36 118.70 122.14 3gqc s GLU 565 Ca 0.10 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 54.39 3gqc s GLU 565 Cb -0.10 -2.87 -0.07 0.00 0.26 0.00 0.00 34.13 31.35 3gqc s GLU 565 CO -0.01 -0.23 1.70 0.00 -0.54 0.00 0.00 175.26 176.18 3gqc s ALA 566 N 1.40 3.63 -0.26 6.30 0.00 -1.26 -1.05 121.76 130.52 3gqc s ALA 566 Ca 0.05 1.08 -0.07 0.00 0.00 0.00 0.00 51.96 53.02 3gqc s ALA 566 Cb -0.14 -3.74 -0.14 0.00 0.00 0.00 0.00 23.12 19.10 3gqc s ALA 566 CO -0.07 -1.32 -0.29 0.28 0.00 0.00 0.00 175.76 174.36 3gqc n VAL 567 N 5.23 1.46 -2.99 0.00 0.31 -0.71 -4.93 118.33 116.71 3gqc n VAL 567 Ca 0.17 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 3gqc n VAL 567 Cb 0.42 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 3gqc n VAL 567 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3gqc n SER 568 N -3.78 0.00 0.26 4.52 3.41 -0.77 -4.98 113.62 112.28 3gqc n SER 568 Ca -0.49 -0.92 0.13 0.00 -0.26 0.00 0.00 58.87 57.32 3gqc n SER 568 Cb 0.92 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 65.58 3gqc n SER 568 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gqc n ASP 570 N -3.61 2.57 -3.71 0.00 5.75 -1.26 -4.55 116.55 111.74 3gqc n ASP 570 Ca -0.02 -2.51 -0.11 0.00 -0.01 0.00 0.00 54.79 52.14 3gqc n ASP 570 Cb 0.25 -0.26 -0.12 0.00 -1.03 0.00 0.00 41.12 39.96 3gqc n ASP 570 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3gqc s GLU 571 N -1.88 0.29 0.05 0.11 2.12 -1.18 -0.70 118.70 117.50 3gqc s GLU 571 Ca 0.21 0.66 -0.08 0.00 0.36 0.00 0.00 54.97 56.11 3gqc s GLU 571 Cb 0.16 -0.07 -0.00 0.00 0.26 0.00 0.00 34.13 34.48 3gqc s GLU 571 CO 0.05 -0.16 0.16 0.00 -0.54 0.00 0.00 175.26 174.76 3gqc s ALA 572 N 1.36 -0.22 -0.01 6.30 0.00 -0.12 -1.73 121.76 127.35 3gqc s ALA 572 Ca -0.09 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.43 3gqc s ALA 572 Cb -0.10 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 3gqc s ALA 572 CO -0.10 -0.37 0.02 -0.51 0.00 0.00 0.00 175.76 174.79 3gqc s LEU 573 N -2.24 3.60 -0.09 0.00 1.43 -0.21 -1.26 118.68 119.89 3gqc s LEU 573 Ca -0.03 0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.06 3gqc s LEU 573 Cb 0.00 -2.06 0.05 0.00 0.03 0.00 0.00 46.19 44.21 3gqc s LEU 573 CO -0.05 0.28 0.21 0.54 0.23 0.00 0.00 176.35 177.56 3gqc s VAL 574 N -1.10 -0.13 -0.44 -1.59 0.11 0.87 -0.51 120.40 117.60 3gqc s VAL 574 Ca 0.20 0.21 -0.23 0.00 -2.93 0.00 0.00 61.98 59.22 3gqc s VAL 574 Cb -0.12 -0.34 0.02 0.00 -1.53 0.00 0.00 36.38 34.42 3gqc s VAL 574 CO 0.11 0.09 0.78 -0.62 -3.33 0.00 0.00 175.10 172.13 3gqc s ASP 575 N 1.55 6.42 0.00 3.54 -1.08 -0.79 -0.14 116.67 126.18 3gqc s ASP 575 Ca -0.06 -0.07 0.08 0.00 -0.52 0.00 0.00 52.55 51.99 3gqc s ASP 575 Cb -0.11 -2.39 0.21 0.00 -1.46 0.00 0.00 42.92 39.17 3gqc s ASP 575 CO -0.07 -0.90 1.13 2.30 0.52 0.00 0.00 175.17 178.14 3gqc n ILE 576 N 6.11 0.83 -0.32 4.11 -5.35 -0.84 -4.60 119.36 119.29 3gqc n ILE 576 Ca 0.02 -0.92 0.16 0.00 -0.27 0.00 0.00 62.75 61.75 3gqc n ILE 576 Cb 0.48 0.61 0.36 0.00 -1.74 0.00 0.00 39.64 39.35 3gqc n ILE 576 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3gqc h THR 577 N 1.58 0.45 0.00 7.28 2.02 -1.90 0.46 112.91 122.81 3gqc h THR 577 Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3gqc h THR 577 Cb 0.62 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3gqc h THR 577 CO 0.00 0.08 -0.66 -0.33 0.37 0.00 0.00 175.52 174.98 3gqc h GLU 578 N 0.43 0.00 0.00 6.66 3.07 -1.93 -2.56 114.58 120.26 3gqc h GLU 578 Ca 0.61 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 59.31 3gqc h GLU 578 Cb 1.21 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.14 3gqc h GLU 578 CO -0.53 0.00 -0.65 0.82 -1.40 0.00 0.00 179.01 177.25 3gqc h ILE 579 N 0.00 1.42 -0.78 3.13 2.04 -1.71 -3.24 117.51 118.37 3gqc h ILE 579 Ca 0.00 -2.11 -0.01 0.00 1.00 0.00 0.00 64.86 63.74 3gqc h ILE 579 Cb 0.98 2.60 -0.04 0.00 -0.74 0.00 0.00 36.82 39.62 3gqc h ILE 579 CO 0.00 0.62 0.45 -0.07 0.00 0.00 0.00 178.15 179.14 3gqc h LEU 580 N -0.07 0.95 -1.45 1.44 4.07 -0.98 -2.57 115.31 116.70 3gqc h LEU 580 Ca -0.08 -0.07 -0.06 0.00 0.08 0.00 0.00 57.88 57.76 3gqc h LEU 580 Cb 1.36 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.85 3gqc h LEU 580 CO 0.13 0.75 -0.27 0.00 -1.08 0.00 0.00 178.44 177.96 3gqc h ALA 581 N 1.41 1.33 -0.27 1.53 0.00 -1.55 -3.13 119.26 118.57 3gqc h ALA 581 Ca 0.28 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gqc h ALA 581 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3gqc h ALA 581 CO -0.05 0.34 0.00 0.39 0.00 0.00 0.00 179.25 179.93 3gqc n GLU 582 N -3.89 2.96 -0.12 0.00 1.02 -1.00 -4.81 120.64 114.81 3gqc n GLU 582 Ca -0.02 -2.82 -0.22 0.00 -0.02 0.00 0.00 57.16 54.08 3gqc n GLU 582 Cb 0.35 -1.84 -0.07 0.00 -0.02 0.00 0.00 31.44 29.86 3gqc n GLU 582 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 3gqc n THR 583 N -0.45 1.50 -2.86 2.62 5.66 -1.03 -4.94 114.28 114.78 3gqc n THR 583 Ca 0.21 -0.20 -0.41 0.00 -3.05 0.00 0.00 64.05 60.61 3gqc n THR 583 Cb 0.88 -2.04 0.01 0.00 -1.55 0.00 0.00 70.33 67.63 3gqc n THR 583 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 3gqc n LYS 584 N -4.30 4.75 -1.41 1.09 3.00 -1.26 -5.11 118.16 114.92 3gqc n LYS 584 Ca -0.40 -4.63 -0.31 0.00 -0.00 0.00 0.00 58.31 52.97 3gqc n LYS 584 Cb 0.75 -2.47 0.08 0.00 0.00 0.00 0.00 35.03 33.39 3gqc n LYS 584 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3gqc s LEU 585 N -3.49 3.12 0.59 3.14 1.98 -1.26 -5.03 118.68 117.73 3gqc s LEU 585 Ca 0.36 1.82 -0.13 0.00 -2.89 0.00 0.00 54.13 53.29 3gqc s LEU 585 Cb 0.13 -4.52 -0.04 0.00 0.66 0.00 0.00 46.19 42.41 3gqc s LEU 585 CO -0.01 -1.86 1.02 0.28 -1.89 0.00 0.00 176.35 173.89 3gqc s THR 586 N -2.82 4.43 0.17 3.68 -1.32 -1.26 -4.81 115.64 113.72 3gqc s THR 586 Ca 0.62 0.95 -0.14 0.00 -1.21 0.00 0.00 61.69 61.91 3gqc s THR 586 Cb -0.17 -3.69 0.07 0.00 -1.51 0.00 0.00 72.50 67.20 3gqc s THR 586 CO 0.53 -0.87 1.73 -0.65 -2.21 0.00 0.00 174.62 173.15 3gqc h PRO 587 N 0.12 0.25 -0.36 7.08 0.11 -1.98 -0.98 132.00 136.24 3gqc h PRO 587 Ca -0.45 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.75 3gqc h PRO 587 Cb 1.20 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3gqc h PRO 587 CO 0.60 0.16 0.28 -0.44 -0.21 0.00 0.00 178.00 178.40 3gqc h ASP 588 N 0.25 0.00 0.44 -2.05 3.32 -1.99 0.11 116.42 116.50 3gqc h ASP 588 Ca 0.21 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.95 3gqc h ASP 588 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3gqc h ASP 588 CO -0.26 0.00 -1.49 1.05 -1.72 0.00 0.00 179.24 176.83 3gqc h GLU 589 N 0.00 0.30 -0.23 3.56 9.09 -1.64 -2.80 114.58 122.86 3gqc h GLU 589 Ca 0.17 -0.52 -0.16 0.00 0.05 0.00 0.00 59.36 58.90 3gqc h GLU 589 Cb 0.73 0.19 0.00 0.00 -1.65 0.00 0.00 28.75 28.02 3gqc h GLU 589 CO -0.00 1.20 -0.48 0.35 0.05 0.00 0.00 179.01 180.13 3gqc h PHE 590 N 0.08 0.93 0.40 2.06 3.57 -0.63 -2.72 116.94 120.63 3gqc h PHE 590 Ca -0.23 -0.34 -0.01 0.00 3.53 0.00 0.00 57.97 60.92 3gqc h PHE 590 Cb 2.03 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 40.58 3gqc h PHE 590 CO 0.07 1.13 -0.37 0.00 -2.23 0.00 0.00 178.31 176.91 3gqc h ALA 591 N 0.63 -0.82 -0.93 2.41 0.00 -0.91 -1.78 119.26 117.85 3gqc h ALA 591 Ca 0.01 -0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.01 3gqc h ALA 591 Cb 1.08 0.53 -0.13 0.00 0.00 0.00 0.00 17.79 19.28 3gqc h ALA 591 CO 0.11 -1.00 0.46 -0.97 0.00 0.00 0.00 179.25 177.85 3gqc h ASN 592 N -0.79 0.44 0.20 0.00 -1.24 -1.57 0.32 115.58 112.95 3gqc h ASN 592 Ca -0.03 0.15 -0.01 0.00 0.71 0.00 0.00 56.30 57.12 3gqc h ASN 592 Cb 0.70 0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.85 3gqc h ASN 592 CO -0.05 0.03 -0.10 0.00 -1.29 0.00 0.00 177.43 176.02 3gqc h ALA 593 N 1.72 -0.27 -0.73 1.57 0.00 -1.08 0.14 119.26 120.62 3gqc h ALA 593 Ca 0.59 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 3gqc h ALA 593 Cb 1.13 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3gqc h ALA 593 CO -0.51 -0.53 0.32 -0.24 0.00 0.00 0.00 179.25 178.28 3gqc h VAL 594 N -0.50 1.24 -0.72 0.00 3.04 -0.74 -0.93 116.25 117.64 3gqc h VAL 594 Ca -0.03 -0.71 -0.02 0.00 -1.01 0.00 0.00 66.70 64.93 3gqc h VAL 594 Cb 0.38 0.33 -0.03 0.00 -2.01 0.00 0.00 31.29 29.96 3gqc h VAL 594 CO 0.04 0.29 0.37 -0.09 -1.01 0.00 0.00 177.57 177.18 3gqc h ARG 595 N 1.05 1.02 -0.28 4.17 2.43 -0.23 -0.36 114.38 122.18 3gqc h ARG 595 Ca 0.25 -0.14 -0.13 0.00 -0.81 0.00 0.00 59.98 59.15 3gqc h ARG 595 Cb 0.15 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3gqc h ARG 595 CO -0.03 0.79 -0.35 0.52 -1.51 0.00 0.00 179.97 179.39 3gqc h MET 596 N 1.00 0.63 -0.03 0.20 2.86 -0.34 -2.42 114.93 116.84 3gqc h MET 596 Ca 0.25 -0.30 -0.14 0.00 -2.06 0.00 0.00 59.70 57.45 3gqc h MET 596 Cb 0.08 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 3gqc h MET 596 CO -0.04 0.89 -0.61 1.49 1.06 0.00 0.00 176.91 179.70 3gqc h GLU 597 N 0.53 0.09 -0.09 1.72 4.57 -0.90 -1.34 114.58 119.16 3gqc h GLU 597 Ca 0.05 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 3gqc h GLU 597 Cb 0.85 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.45 3gqc h GLU 597 CO 0.07 0.68 -0.02 0.82 -1.18 0.00 0.00 179.01 179.38 3gqc h ILE 598 N 0.07 1.29 -0.25 2.32 2.04 -0.98 -2.57 117.51 119.42 3gqc h ILE 598 Ca -0.01 -0.94 0.04 0.00 1.00 0.00 0.00 64.86 64.95 3gqc h ILE 598 Cb 1.10 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.87 3gqc h ILE 598 CO 0.09 0.27 0.03 0.50 0.00 0.00 0.00 178.15 179.03 3gqc h LYS 599 N -0.15 0.11 -0.35 2.37 3.64 -1.33 -0.50 116.57 120.38 3gqc h LYS 599 Ca 0.02 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3gqc h LYS 599 Cb 0.43 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3gqc h LYS 599 CO 0.01 0.07 0.11 -0.44 -2.27 0.00 0.00 179.45 176.93 3gqc h ASP 600 N 0.12 0.45 0.86 4.20 3.45 -1.28 0.80 116.42 125.01 3gqc h ASP 600 Ca 0.12 -0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.53 3gqc h ASP 600 Cb 0.13 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 38.79 3gqc h ASP 600 CO -0.18 0.44 -1.14 0.00 -1.57 0.00 0.00 179.24 176.79 3gqc n GLN 601 N -4.37 0.61 -0.01 3.56 6.02 -0.97 -4.43 117.38 117.78 3gqc n GLN 601 Ca 0.02 0.08 0.02 0.00 -0.01 0.00 0.00 57.00 57.11 3gqc n GLN 601 Cb 0.16 -1.79 -0.06 0.00 1.02 0.00 0.00 30.24 29.57 3gqc n GLN 601 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3gqc n THR 602 N -2.62 0.15 -1.48 5.09 -2.24 -0.22 -4.99 114.28 107.96 3gqc n THR 602 Ca -0.01 -0.23 -0.15 0.00 -2.27 0.00 0.00 64.05 61.40 3gqc n THR 602 Cb 0.56 0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.73 3gqc n THR 602 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3gqc n LYS 603 N -1.93 -1.05 -4.50 -0.78 0.00 0.28 -5.01 118.16 105.17 3gqc n LYS 603 Ca -0.05 1.01 -0.24 0.00 -0.00 0.00 0.00 58.31 59.03 3gqc n LYS 603 Cb 0.36 -5.16 -0.14 0.00 -0.00 0.00 0.00 35.03 30.10 3gqc n LYS 603 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3gqc s ALA 605 N -0.90 3.46 0.02 0.00 0.00 -1.26 -3.71 121.76 119.38 3gqc s ALA 605 Ca 0.06 0.07 0.08 0.00 0.00 0.00 0.00 51.96 52.18 3gqc s ALA 605 Cb -0.09 -2.73 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 3gqc s ALA 605 CO 0.02 0.37 -0.24 0.00 0.00 0.00 0.00 175.76 175.90 3gqc s ALA 606 N -1.52 2.06 0.08 0.00 0.00 -1.26 -2.08 121.76 119.05 3gqc s ALA 606 Ca 0.42 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 51.27 3gqc s ALA 606 Cb -0.16 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 3gqc s ALA 606 CO 0.20 0.49 0.08 -1.12 0.00 0.00 0.00 175.76 175.41 3gqc s SER 607 N -0.99 5.53 -0.03 0.00 0.01 -0.27 -4.37 113.70 113.57 3gqc s SER 607 Ca 0.10 -0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.36 3gqc s SER 607 Cb -0.09 -1.48 0.01 0.00 0.21 0.00 0.00 66.02 64.67 3gqc s SER 607 CO 0.01 0.17 -0.05 0.68 0.41 0.00 0.00 173.24 174.46 3gqc s VAL 608 N -1.41 0.52 0.02 3.43 -7.23 -0.87 -1.59 120.40 113.27 3gqc s VAL 608 Ca 0.29 -0.16 0.01 0.00 -1.81 0.00 0.00 61.98 60.31 3gqc s VAL 608 Cb -0.12 -0.52 -0.04 0.00 0.56 0.00 0.00 36.38 36.27 3gqc s VAL 608 CO 0.22 0.20 0.06 -0.83 -0.31 0.00 0.00 175.10 174.44 3gqc s GLY 609 N 0.60 1.99 -0.00 2.32 0.00 -0.43 -1.28 107.32 110.52 3gqc s GLY 609 Ca -0.08 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.71 3gqc s GLY 609 CO 0.00 -0.84 -0.01 -0.42 0.00 0.00 0.00 173.10 171.83 3gqc s ILE 610 N -1.23 0.08 0.26 0.90 1.01 -0.65 -0.07 121.20 121.50 3gqc s ILE 610 Ca 0.24 -0.02 -0.20 0.00 0.00 0.00 0.00 60.65 60.68 3gqc s ILE 610 Cb -0.12 -0.09 0.07 0.00 0.01 0.00 0.00 42.46 42.33 3gqc s ILE 610 CO 0.16 0.04 0.97 -0.83 0.00 0.00 0.00 174.94 175.27 3gqc s GLY 611 N 0.13 0.24 0.23 6.18 0.00 -0.63 -1.51 107.32 111.96 3gqc s GLY 611 Ca -0.01 -0.53 -0.04 0.00 0.00 0.00 0.00 44.72 44.14 3gqc s GLY 611 CO -0.00 1.80 1.69 1.76 0.00 0.00 0.00 173.10 178.34 3gqc h SER 612 N 2.00 0.81 -3.76 1.64 0.02 -1.82 0.39 113.55 112.84 3gqc h SER 612 Ca -0.30 -0.24 -0.42 0.00 -0.84 0.00 0.00 61.79 60.00 3gqc h SER 612 Cb 1.23 -0.22 -0.14 0.00 0.14 0.00 0.00 62.40 63.41 3gqc h SER 612 CO 0.39 0.93 -0.62 0.54 -1.14 0.00 0.00 176.83 176.93 3gqc s ASN 613 N -6.68 1.90 0.18 3.07 2.20 -1.26 -4.29 114.94 110.06 3gqc s ASN 613 Ca -0.10 -1.35 -0.13 0.00 -0.94 0.00 0.00 52.86 50.34 3gqc s ASN 613 Cb 0.14 0.01 0.12 0.00 -2.00 0.00 0.00 41.25 39.52 3gqc s ASN 613 CO 0.83 -0.62 1.79 0.40 -2.94 0.00 0.00 177.10 176.56 3gqc h ILE 614 N 2.27 0.99 -0.69 0.54 2.04 -1.84 -0.97 117.51 119.84 3gqc h ILE 614 Ca -0.39 -0.18 0.10 0.00 1.00 0.00 0.00 64.86 65.39 3gqc h ILE 614 Cb 1.24 0.41 -0.08 0.00 -0.74 0.00 0.00 36.82 37.66 3gqc h ILE 614 CO 0.66 0.10 0.31 0.25 0.00 0.00 0.00 178.15 179.47 3gqc h LEU 615 N 0.53 0.37 -0.21 1.44 5.85 -1.94 -2.14 115.31 119.21 3gqc h LEU 615 Ca 0.22 0.07 -0.22 0.00 0.84 0.00 0.00 57.88 58.79 3gqc h LEU 615 Cb 0.10 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.15 3gqc h LEU 615 CO -0.14 0.20 -0.79 -0.07 -0.34 0.00 0.00 178.44 177.31 3gqc h LEU 616 N 0.53 0.83 -1.15 2.25 3.38 -1.62 -1.89 115.31 117.62 3gqc h LEU 616 Ca 0.35 -0.55 0.06 0.00 0.09 0.00 0.00 57.88 57.83 3gqc h LEU 616 Cb 0.42 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 3gqc h LEU 616 CO -0.30 1.34 0.58 0.00 0.09 0.00 0.00 178.44 180.15 3gqc h ALA 617 N 0.64 1.51 -0.06 1.53 0.00 -1.08 -1.79 119.26 120.03 3gqc h ALA 617 Ca -0.05 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.58 3gqc h ALA 617 Cb 1.41 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 18.94 3gqc h ALA 617 CO 0.16 0.36 -0.94 0.00 0.00 0.00 0.00 179.25 178.82 3gqc h ARG 618 N 1.03 0.72 -0.68 0.00 3.08 -1.11 -2.87 114.38 114.55 3gqc h ARG 618 Ca 0.38 -0.70 -0.05 0.00 0.07 0.00 0.00 59.98 59.69 3gqc h ARG 618 Cb 0.18 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 3gqc h ARG 618 CO -0.14 1.29 0.23 0.52 -1.07 0.00 0.00 179.97 180.79 3gqc h MET 619 N 0.44 1.04 -0.34 0.04 2.86 -1.31 -3.06 114.93 114.60 3gqc h MET 619 Ca -0.10 -0.21 0.07 0.00 -2.06 0.00 0.00 59.70 57.40 3gqc h MET 619 Cb 1.58 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 33.07 3gqc h MET 619 CO 0.19 0.89 0.23 0.00 1.06 0.00 0.00 176.91 179.28 3gqc h ALA 620 N 1.10 2.13 -0.29 6.32 0.00 -1.28 -2.04 119.26 125.20 3gqc h ALA 620 Ca 0.22 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 3gqc h ALA 620 Cb 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3gqc h ALA 620 CO -0.01 -0.21 -0.31 1.15 0.00 0.00 0.00 179.25 179.87 3gqc h THR 621 N 0.14 1.28 -0.92 0.00 2.02 -1.40 -2.24 112.91 111.80 3gqc h THR 621 Ca 0.15 -1.42 0.11 0.00 0.77 0.00 0.00 66.41 66.03 3gqc h THR 621 Cb 0.43 1.40 -0.08 0.00 -1.74 0.00 0.00 68.15 68.16 3gqc h THR 621 CO -0.02 0.46 0.55 -0.09 0.37 0.00 0.00 175.52 176.79 3gqc h ARG 622 N 0.52 0.85 0.00 6.66 2.43 -1.45 -0.42 114.38 122.97 3gqc h ARG 622 Ca 0.06 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 3gqc h ARG 622 Cb 0.79 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 3gqc h ARG 622 CO 0.06 0.56 -0.61 -0.22 -1.51 0.00 0.00 179.97 178.26 3gqc h LYS 623 N 0.88 0.00 -0.14 0.20 3.64 -1.50 -3.26 116.57 116.38 3gqc h LYS 623 Ca 0.46 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.67 3gqc h LYS 623 Cb 0.47 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3gqc h LYS 623 CO -0.27 0.61 -0.62 0.00 -2.27 0.00 0.00 179.45 176.90 3gqc h ALA 624 N 1.39 0.66 -2.69 5.00 0.00 -0.54 -3.46 119.26 119.61 3gqc h ALA 624 Ca -0.01 -0.55 -0.50 0.00 0.00 0.00 0.00 54.91 53.86 3gqc h ALA 624 Cb 1.11 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.85 3gqc h ALA 624 CO 0.08 0.71 0.47 0.15 0.00 0.00 0.00 179.25 180.66 3gqc s LYS 625 N -3.85 4.32 0.42 0.00 1.02 -0.51 -2.66 119.74 118.47 3gqc s LYS 625 Ca -0.07 1.73 -0.11 0.00 0.02 0.00 0.00 55.97 57.55 3gqc s LYS 625 Cb 0.11 -2.84 -0.06 0.00 -0.52 0.00 0.00 37.83 34.51 3gqc s LYS 625 CO 0.84 -0.06 0.79 -1.25 -0.92 0.00 0.00 175.35 174.75 3gqc s PRO 626 N -2.02 3.79 -1.33 -1.68 0.04 -1.26 -4.94 135.00 127.59 3gqc s PRO 626 Ca 0.52 0.51 -0.08 0.00 0.04 0.00 0.00 61.00 61.99 3gqc s PRO 626 Cb -0.29 -2.37 0.06 0.00 0.04 0.00 0.00 34.50 31.94 3gqc s PRO 626 CO 0.36 -0.06 0.51 -3.47 0.04 0.00 0.00 177.00 174.38 3gqc n ASP 627 N -1.35 -4.19 -0.84 6.66 -0.08 -1.26 -4.91 116.55 110.59 3gqc n ASP 627 Ca 0.03 -0.36 0.00 0.00 -1.51 0.00 0.00 54.79 52.95 3gqc n ASP 627 Cb 0.54 -3.45 0.00 0.00 2.34 0.00 0.00 41.12 40.55 3gqc n ASP 627 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gqc n GLY 628 N -1.24 3.96 3.15 0.27 0.00 -1.09 -4.99 105.19 105.26 3gqc n GLY 628 Ca -0.04 -1.54 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 3gqc n GLY 628 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gqc s GLN 629 N -1.51 0.52 -0.09 1.61 -2.07 -1.26 -2.05 119.66 114.81 3gqc s GLN 629 Ca 0.00 -0.23 -0.06 0.00 -1.82 0.00 0.00 55.36 53.25 3gqc s GLN 629 Cb 0.00 0.23 0.03 0.00 -1.09 0.00 0.00 33.01 32.18 3gqc s GLN 629 CO 0.00 -0.13 0.22 -0.47 -1.32 0.00 0.00 175.29 173.60 3gqc s TYR 630 N -1.17 -0.27 -0.36 9.60 5.04 -0.40 -4.76 117.35 125.02 3gqc s TYR 630 Ca -0.12 0.67 -0.01 0.00 -2.44 0.00 0.00 57.07 55.17 3gqc s TYR 630 Cb -0.06 0.05 0.09 0.00 0.35 0.00 0.00 41.96 42.39 3gqc s TYR 630 CO 0.02 -0.18 0.10 -1.58 -1.34 0.00 0.00 175.55 172.58 3gqc s HIS 631 N 0.76 3.54 -0.56 4.97 5.65 -1.26 -1.64 115.29 126.74 3gqc s HIS 631 Ca -0.05 -2.41 -0.27 0.00 0.25 0.00 0.00 55.06 52.57 3gqc s HIS 631 Cb -0.07 -2.82 -0.00 0.00 -1.18 0.00 0.00 32.58 28.51 3gqc s HIS 631 CO -0.04 -0.92 1.61 -1.17 -0.65 0.00 0.00 174.74 173.56 3gqc s LEU 632 N 1.11 3.36 0.30 8.88 2.96 -0.57 -4.98 118.68 129.73 3gqc s LEU 632 Ca 0.05 0.39 -0.28 0.00 -0.22 0.00 0.00 54.13 54.06 3gqc s LEU 632 Cb -0.21 -2.90 -0.09 0.00 0.50 0.00 0.00 46.19 43.48 3gqc s LEU 632 CO -0.04 -1.95 1.01 -1.59 -1.32 0.00 0.00 176.35 172.46 3gqc s LYS 633 N 6.06 4.62 0.47 1.98 -2.85 -1.26 -4.62 119.74 124.15 3gqc s LYS 633 Ca 0.60 1.55 0.37 0.00 -1.00 0.00 0.00 55.97 57.49 3gqc s LYS 633 Cb -0.13 -3.03 1.55 0.00 -2.06 0.00 0.00 37.83 34.16 3gqc s LYS 633 CO 0.24 0.27 1.59 -1.35 0.10 0.00 0.00 175.35 176.20 3gqc h PRO 634 N 3.57 0.02 0.00 1.78 0.10 -2.00 0.51 132.00 135.98 3gqc h PRO 634 Ca -0.46 -0.00 -0.09 0.00 0.10 0.00 0.00 66.00 65.54 3gqc h PRO 634 Cb 1.20 -0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.29 3gqc h PRO 634 CO 0.66 0.01 -0.44 1.05 0.10 0.00 0.00 178.00 179.38 3gqc h GLU 635 N 0.02 0.00 0.00 1.05 9.09 -2.02 -3.19 114.58 119.53 3gqc h GLU 635 Ca 0.88 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.29 3gqc h GLU 635 Cb 3.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 30.13 3gqc h GLU 635 CO -0.34 0.44 -0.42 0.93 0.05 0.00 0.00 179.01 179.67 3gqc h GLU 636 N 0.00 0.00 0.45 1.06 5.08 -0.36 -3.42 114.58 117.40 3gqc h GLU 636 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3gqc h GLU 636 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3gqc h GLU 636 CO 0.06 0.00 -0.37 0.28 -1.00 0.00 0.00 179.01 177.97 3gqc h VAL 637 N 0.00 0.00 -0.58 3.13 2.07 -1.47 -0.06 116.25 119.34 3gqc h VAL 637 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 3gqc h VAL 637 Cb 0.78 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3gqc h VAL 637 CO 0.00 0.00 0.39 0.44 0.02 0.00 0.00 177.57 178.42 3gqc h ASP 638 N -0.80 0.33 -0.01 0.57 3.45 -1.81 -0.04 116.42 118.10 3gqc h ASP 638 Ca -0.06 0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.40 3gqc h ASP 638 Cb 0.67 -0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 39.38 3gqc h ASP 638 CO -0.00 0.20 -0.01 -0.78 -1.57 0.00 0.00 179.24 177.08 3gqc h ASP 639 N 0.37 0.03 -0.59 6.45 3.58 -1.77 -2.95 116.42 121.54 3gqc h ASP 639 Ca 0.27 -0.43 -0.07 0.00 0.42 0.00 0.00 57.03 57.21 3gqc h ASP 639 Cb 0.57 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.58 3gqc h ASP 639 CO -0.07 0.46 0.10 0.15 -2.88 0.00 0.00 179.24 177.00 3gqc h PHE 640 N -0.39 1.06 0.13 0.28 3.57 -0.04 -3.30 116.94 118.25 3gqc h PHE 640 Ca 0.00 -0.14 -0.29 0.00 3.53 0.00 0.00 57.97 61.08 3gqc h PHE 640 Cb 0.45 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.90 3gqc h PHE 640 CO 0.08 0.90 -1.35 0.97 -2.23 0.00 0.00 178.31 176.67 3gqc h ILE 641 N 0.94 1.38 -0.63 1.41 6.09 -1.11 -3.27 117.51 122.31 3gqc h ILE 641 Ca 0.19 -2.96 0.10 0.00 -1.37 0.00 0.00 64.86 60.82 3gqc h ILE 641 Cb 0.41 2.89 -0.04 0.00 0.47 0.00 0.00 36.82 40.55 3gqc h ILE 641 CO 0.01 0.86 0.42 0.03 -3.07 0.00 0.00 178.15 176.41 3gqc h ARG 642 N 0.07 0.43 -0.00 2.19 3.08 -1.59 -2.41 114.38 116.14 3gqc h ARG 642 Ca -0.17 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3gqc h ARG 642 Cb 2.00 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.95 3gqc h ARG 642 CO 0.19 0.28 -0.27 0.41 -1.07 0.00 0.00 179.97 179.52 3gqc n GLY 643 N -1.51 -0.92 3.79 0.04 0.00 -1.23 -1.62 105.19 103.74 3gqc n GLY 643 Ca 0.11 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 3gqc n GLY 643 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gqc s GLN 644 N -2.66 4.40 0.21 1.61 -1.52 -0.91 -4.91 119.66 115.88 3gqc s GLN 644 Ca 0.21 1.28 -0.30 0.00 -1.95 0.00 0.00 55.36 54.61 3gqc s GLN 644 Cb 0.19 -2.55 -0.09 0.00 -0.22 0.00 0.00 33.01 30.35 3gqc s GLN 644 CO 0.56 0.11 1.26 -0.51 -0.25 0.00 0.00 175.29 176.46 3gqc s LEU 645 N -2.53 4.43 0.65 2.90 1.43 -1.26 -1.74 118.68 122.56 3gqc s LEU 645 Ca 0.55 2.36 0.40 0.00 -1.03 0.00 0.00 54.13 56.41 3gqc s LEU 645 Cb -0.16 -3.61 2.23 0.00 0.03 0.00 0.00 46.19 44.68 3gqc s LEU 645 CO 0.21 -0.46 2.32 1.62 0.23 0.00 0.00 176.35 180.27 3gqc h VAL 646 N 3.66 0.15 0.00 -1.59 3.04 -1.28 -1.09 116.25 119.14 3gqc h VAL 646 Ca -0.45 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 3gqc h VAL 646 Cb 1.21 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 3gqc h VAL 646 CO 0.75 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.31 3gqc h THR 647 N 0.00 0.00 -0.01 3.17 1.03 -1.85 -2.75 112.91 112.50 3gqc h THR 647 Ca 0.00 -0.60 0.00 0.00 -0.01 0.00 0.00 66.41 65.80 3gqc h THR 647 Cb 0.04 1.57 0.00 0.00 -1.07 0.00 0.00 68.15 68.69 3gqc h THR 647 CO -0.00 0.00 -0.02 0.59 -0.01 0.00 0.00 175.52 176.08 3gqc n ASN 648 N -2.91 0.80 -4.72 0.00 3.02 -0.41 -4.76 115.26 106.29 3gqc n ASN 648 Ca 0.02 -1.19 -0.42 0.00 -0.03 0.00 0.00 54.58 52.96 3gqc n ASN 648 Cb 0.37 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 3gqc n ASN 648 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3gqc s LEU 649 N -2.06 4.41 0.04 3.41 1.43 -1.04 -4.94 118.68 119.93 3gqc s LEU 649 Ca 0.41 2.00 -0.34 0.00 -1.03 0.00 0.00 54.13 55.16 3gqc s LEU 649 Cb 0.21 -3.59 -0.13 0.00 0.03 0.00 0.00 46.19 42.71 3gqc s LEU 649 CO 0.37 -0.36 1.70 -0.81 0.23 0.00 0.00 176.35 177.47 3gqc n PRO 650 N 3.39 2.08 0.00 1.29 -0.04 -1.26 -1.89 135.00 138.57 3gqc n PRO 650 Ca 0.06 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 3gqc n PRO 650 Cb 0.47 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 3gqc n PRO 650 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gqc n GLY 651 N 3.81 0.10 3.38 0.55 0.00 -1.26 -5.03 105.19 106.74 3gqc n GLY 651 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 3gqc n GLY 651 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqc s VAL 652 N -2.03 5.03 0.00 1.61 1.01 -0.79 -4.98 120.40 120.25 3gqc s VAL 652 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.94 3gqc s VAL 652 Cb 0.00 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.41 3gqc s VAL 652 CO 0.00 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.21 3gqc n GLY 653 N 5.14 2.11 0.22 4.51 0.00 -1.26 -4.69 105.19 111.22 3gqc n GLY 653 Ca -0.12 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 43.85 3gqc n GLY 653 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3gqc h HIS 654 N 0.00 0.83 0.49 1.61 3.86 -1.97 -1.62 115.15 118.36 3gqc h HIS 654 Ca 0.00 -0.19 -0.02 0.00 -1.16 0.00 0.00 60.37 59.00 3gqc h HIS 654 Cb 0.00 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.27 3gqc h HIS 654 CO 0.00 0.89 -0.23 1.03 0.86 0.00 0.00 177.93 180.48 3gqc h SER 655 N 0.53 -0.56 -0.86 2.45 0.87 -1.99 -1.24 113.55 112.76 3gqc h SER 655 Ca 0.09 -0.07 0.10 0.00 -1.23 0.00 0.00 61.79 60.68 3gqc h SER 655 Cb 0.64 0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.68 3gqc h SER 655 CO 0.04 -0.24 0.56 -0.03 -0.53 0.00 0.00 176.83 176.63 3gqc h MET 656 N -0.89 0.80 -0.39 2.24 -1.53 -1.94 -1.08 114.93 112.15 3gqc h MET 656 Ca -0.07 -0.05 0.02 0.00 -3.44 0.00 0.00 59.70 56.17 3gqc h MET 656 Cb 0.59 -0.18 -0.03 0.00 -0.55 0.00 0.00 31.60 31.43 3gqc h MET 656 CO 0.11 0.53 0.22 1.49 0.14 0.00 0.00 176.91 179.40 3gqc h GLU 657 N 0.83 0.43 -0.06 0.39 4.57 -1.10 -1.07 114.58 118.57 3gqc h GLU 657 Ca 0.40 -0.03 -0.16 0.00 -1.18 0.00 0.00 59.36 58.40 3gqc h GLU 657 Cb 0.43 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3gqc h GLU 657 CO -0.16 0.28 -0.66 1.03 -1.18 0.00 0.00 179.01 178.32 3gqc h SER 658 N 0.44 0.27 0.25 1.04 0.87 -0.42 -0.69 113.55 115.31 3gqc h SER 658 Ca 0.16 -0.16 -0.20 0.00 -1.23 0.00 0.00 61.79 60.35 3gqc h SER 658 Cb 0.03 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 3gqc h SER 658 CO -0.09 0.85 -0.81 0.50 -0.53 0.00 0.00 176.83 176.75 3gqc h LYS 659 N 0.16 0.44 -0.25 2.24 1.63 -1.08 -2.27 116.57 117.44 3gqc h LYS 659 Ca -0.01 -0.40 -0.10 0.00 -0.85 0.00 0.00 60.65 59.29 3gqc h LYS 659 Cb 1.18 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.89 3gqc h LYS 659 CO 0.10 1.04 -0.27 -0.07 -3.45 0.00 0.00 179.45 176.80 3gqc h LEU 660 N 0.28 0.49 -1.03 5.20 3.38 -1.10 -3.10 115.31 119.42 3gqc h LEU 660 Ca -0.05 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 3gqc h LEU 660 Cb 1.41 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 3gqc h LEU 660 CO 0.14 0.75 -0.30 0.00 0.09 0.00 0.00 178.44 179.12 3gqc h ALA 661 N 1.29 1.19 0.00 1.53 0.00 -0.89 -0.76 119.26 121.62 3gqc h ALA 661 Ca 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3gqc h ALA 661 Cb 0.70 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3gqc h ALA 661 CO 0.05 0.53 0.00 -1.13 0.00 0.00 0.00 179.25 178.70 3gqc n SER 662 N -4.11 0.00 -0.40 0.00 3.41 -0.88 -2.08 113.62 109.56 3gqc n SER 662 Ca -0.01 -0.53 0.04 0.00 -0.26 0.00 0.00 58.87 58.11 3gqc n SER 662 Cb 0.41 -0.08 0.06 0.00 -0.26 0.00 0.00 64.21 64.35 3gqc n SER 662 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gqc n LEU 663 N -1.08 2.04 0.00 1.04 4.32 -0.69 -4.99 117.00 117.65 3gqc n LEU 663 Ca 0.15 -1.30 0.00 0.00 -0.02 0.00 0.00 56.01 54.84 3gqc n LEU 663 Cb 0.11 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 3gqc n LEU 663 CO 0.14 0.45 0.00 0.61 -1.22 0.00 0.00 177.39 177.37 3gqc n GLY 664 N 0.44 0.74 3.35 -0.72 0.00 -0.88 -5.06 105.19 103.06 3gqc n GLY 664 Ca 0.06 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 3gqc n GLY 664 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqc s ILE 665 N -2.00 4.13 -0.14 -0.61 1.01 -0.38 -4.91 121.20 118.31 3gqc s ILE 665 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.87 3gqc s ILE 665 Cb 0.00 -3.21 -0.10 0.00 0.01 0.00 0.00 42.46 39.16 3gqc s ILE 665 CO 0.00 -0.05 -0.11 0.29 0.00 0.00 0.00 174.94 175.07 3gqc n LYS 666 N 4.90 0.49 -4.20 2.79 4.76 -1.26 -3.67 118.16 121.97 3gqc n LYS 666 Ca -0.13 0.08 -0.23 0.00 -2.87 0.00 0.00 58.31 55.15 3gqc n LYS 666 Cb 0.47 -1.28 -0.06 0.00 -1.84 0.00 0.00 35.03 32.31 3gqc n LYS 666 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3gqc s THR 667 N -2.28 3.45 0.30 -0.18 -4.23 -1.26 -0.87 115.64 110.57 3gqc s THR 667 Ca -0.18 -1.76 0.01 0.00 -1.18 0.00 0.00 61.69 58.59 3gqc s THR 667 Cb 0.05 -2.98 0.28 0.00 1.34 0.00 0.00 72.50 71.20 3gqc s THR 667 CO 0.34 -0.30 1.88 0.00 -0.54 0.00 0.00 174.62 176.00 3gqc h GLY 669 N 1.00 -0.27 1.01 0.00 0.00 -1.49 0.81 103.07 104.14 3gqc h GLY 669 Ca 0.43 0.54 0.00 0.00 0.00 0.00 0.00 47.33 48.30 3gqc h GLY 669 CO -0.18 -0.17 0.52 -0.55 0.00 0.00 0.00 176.54 176.16 3gqc h ASP 670 N -0.14 0.96 -0.01 0.19 3.32 -1.51 -2.91 116.42 116.32 3gqc h ASP 670 Ca 0.23 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 3gqc h ASP 670 Cb 0.56 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3gqc h ASP 670 CO -0.77 0.72 -0.07 0.25 -1.72 0.00 0.00 179.24 177.64 3gqc h LEU 671 N 1.11 0.19 -2.28 1.55 6.46 -0.04 -2.70 115.31 119.59 3gqc h LEU 671 Ca 0.30 -0.03 0.03 0.00 -0.12 0.00 0.00 57.88 58.06 3gqc h LEU 671 Cb -0.09 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 39.79 3gqc h LEU 671 CO -0.06 0.29 0.11 1.56 -0.62 0.00 0.00 178.44 179.72 3gqc h GLN 672 N 0.20 0.00 0.00 1.25 4.20 -0.71 -2.46 115.11 117.59 3gqc h GLN 672 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3gqc h GLN 672 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3gqc h GLN 672 CO 0.01 0.00 0.00 1.88 -0.67 0.00 0.00 178.83 180.05 3gqc h TYR 673 N 0.00 0.00 -3.72 2.96 0.05 -1.64 -3.45 116.97 111.18 3gqc h TYR 673 Ca 0.05 0.00 -0.50 0.00 0.05 0.00 0.00 58.73 58.33 3gqc h TYR 673 Cb 0.27 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.01 3gqc h TYR 673 CO 0.00 0.00 0.42 -1.64 -1.05 0.00 0.00 178.16 175.89 3gqc s MET 674 N -3.30 4.72 0.66 4.88 -1.94 -0.93 -5.03 119.30 118.36 3gqc s MET 674 Ca 0.06 1.64 -0.16 0.00 -1.71 0.00 0.00 55.69 55.53 3gqc s MET 674 Cb 0.08 -3.26 0.00 0.00 2.01 0.00 0.00 34.83 33.67 3gqc s MET 674 CO 0.59 0.30 1.14 0.95 -0.01 0.00 0.00 175.02 177.99 3gqc s THR 675 N -0.89 2.95 0.13 2.05 -4.23 -1.26 -4.91 115.64 109.47 3gqc s THR 675 Ca 0.44 0.47 -0.23 0.00 -1.18 0.00 0.00 61.69 61.19 3gqc s THR 675 Cb -0.29 -3.02 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 3gqc s THR 675 CO 0.36 -0.25 1.66 -0.03 -0.54 0.00 0.00 174.62 175.82 3gqc h MET 676 N 0.10 -0.23 -0.75 3.99 4.05 -1.96 -1.97 114.93 118.16 3gqc h MET 676 Ca -0.47 0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.08 3gqc h MET 676 Cb 1.26 0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 32.03 3gqc h MET 676 CO 0.53 -0.15 0.35 0.00 0.23 0.00 0.00 176.91 177.87 3gqc h ALA 677 N 0.77 1.07 -0.19 0.39 0.00 -1.97 0.22 119.26 119.54 3gqc h ALA 677 Ca 0.09 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 3gqc h ALA 677 Cb 0.37 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3gqc h ALA 677 CO -0.24 -0.12 -0.51 -0.22 0.00 0.00 0.00 179.25 178.16 3gqc h LYS 678 N 0.54 0.53 -0.39 0.00 1.63 -1.92 -1.91 116.57 115.06 3gqc h LYS 678 Ca 0.40 -0.31 -0.12 0.00 -0.85 0.00 0.00 60.65 59.76 3gqc h LYS 678 Cb 0.52 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 3gqc h LYS 678 CO -0.34 0.91 -0.23 -0.07 -3.45 0.00 0.00 179.45 176.28 3gqc h LEU 679 N 0.42 0.79 -0.75 5.20 4.07 -0.51 -0.44 115.31 124.09 3gqc h LEU 679 Ca 0.02 -0.29 -0.10 0.00 0.08 0.00 0.00 57.88 57.58 3gqc h LEU 679 Cb 1.03 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.54 3gqc h LEU 679 CO 0.09 1.00 -0.49 1.56 -1.08 0.00 0.00 178.44 179.52 3gqc h GLN 680 N 0.68 0.00 -0.09 1.13 4.20 -0.96 -1.41 115.11 118.66 3gqc h GLN 680 Ca 0.09 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.67 3gqc h GLN 680 Cb 0.74 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.53 3gqc h GLN 680 CO 0.06 0.49 -0.47 -0.22 -0.67 0.00 0.00 178.83 178.03 3gqc h LYS 681 N 0.00 0.48 -0.00 1.46 1.63 -1.05 -0.67 116.57 118.42 3gqc h LYS 681 Ca -0.00 -0.39 -0.20 0.00 -0.85 0.00 0.00 60.65 59.20 3gqc h LYS 681 Cb 1.05 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.75 3gqc h LYS 681 CO 0.06 1.02 -0.88 0.93 -3.45 0.00 0.00 179.45 177.14 3gqc h GLU 682 N 0.06 0.24 0.00 1.90 4.39 -1.06 -3.38 114.58 116.72 3gqc h GLU 682 Ca -0.03 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3gqc h GLU 682 Cb 1.11 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3gqc h GLU 682 CO 0.10 0.97 -0.63 1.19 -1.16 0.00 0.00 179.01 179.48 3gqc n PHE 683 N -3.68 0.00 0.00 4.33 3.72 -0.54 -5.09 117.46 116.20 3gqc n PHE 683 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 3gqc n PHE 683 Cb 0.80 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.32 3gqc n PHE 683 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gqc n GLY 684 N 1.77 2.66 0.47 1.37 0.00 -0.26 -4.56 105.19 106.64 3gqc n GLY 684 Ca -0.00 -1.87 -0.16 0.00 0.00 0.00 0.00 46.02 43.99 3gqc n GLY 684 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqc h PRO 685 N 0.00 -0.61 -0.17 1.61 0.13 -1.90 0.13 132.00 131.19 3gqc h PRO 685 Ca 0.00 0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 65.08 3gqc h PRO 685 Cb 0.00 0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.27 3gqc h PRO 685 CO 0.00 -0.41 -0.26 0.87 -0.23 0.00 0.00 178.00 177.98 3gqc h LYS 686 N -0.63 0.48 -0.37 0.86 1.57 -1.94 -2.45 116.57 114.09 3gqc h LYS 686 Ca 0.02 -0.29 -0.12 0.00 -1.87 0.00 0.00 60.65 58.40 3gqc h LYS 686 Cb 0.70 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 3gqc h LYS 686 CO -0.40 0.88 -0.24 1.15 -0.57 0.00 0.00 179.45 180.27 3gqc h THR 687 N 0.12 1.28 -0.39 -0.16 2.02 -1.82 0.60 112.91 114.57 3gqc h THR 687 Ca 0.02 -1.39 0.03 0.00 0.77 0.00 0.00 66.41 65.84 3gqc h THR 687 Cb 0.83 1.38 -0.04 0.00 -1.74 0.00 0.00 68.15 68.58 3gqc h THR 687 CO 0.06 0.46 0.18 1.23 0.37 0.00 0.00 175.52 177.82 3gqc h GLY 688 N 0.61 0.53 0.99 2.16 0.00 -0.81 0.06 103.07 106.61 3gqc h GLY 688 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 3gqc h GLY 688 CO 0.07 0.08 0.33 -1.61 0.00 0.00 0.00 176.54 175.41 3gqc h GLN 689 N 0.37 0.79 -0.91 4.80 4.15 -1.17 -1.59 115.11 121.55 3gqc h GLN 689 Ca 0.17 -0.08 0.05 0.00 0.77 0.00 0.00 58.65 59.56 3gqc h GLN 689 Cb 0.10 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 27.57 3gqc h GLN 689 CO -0.13 0.59 0.58 1.98 -1.93 0.00 0.00 178.83 179.92 3gqc h MET 690 N 0.77 1.06 -0.32 1.69 4.05 -0.47 -1.62 114.93 120.10 3gqc h MET 690 Ca 0.20 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.50 3gqc h MET 690 Cb 0.02 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 30.57 3gqc h MET 690 CO -0.03 0.70 -0.05 -0.07 0.23 0.00 0.00 176.91 177.68 3gqc h LEU 691 N 1.09 0.60 -0.70 3.39 3.38 -0.62 0.69 115.31 123.15 3gqc h LEU 691 Ca 0.38 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3gqc h LEU 691 Cb 0.09 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3gqc h LEU 691 CO -0.15 0.80 0.44 0.22 0.09 0.00 0.00 178.44 179.85 3gqc h TYR 692 N 0.38 0.90 0.05 1.13 3.20 -1.08 -2.05 116.97 119.49 3gqc h TYR 692 Ca 0.08 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 3gqc h TYR 692 Cb 0.53 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.50 3gqc h TYR 692 CO 0.05 0.59 -0.02 0.00 -1.64 0.00 0.00 178.16 177.13 3gqc h ARG 693 N 0.95 -0.06 -0.91 1.82 3.08 -1.29 -3.33 114.38 114.64 3gqc h ARG 693 Ca 0.25 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 3gqc h ARG 693 Cb -0.07 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 3gqc h ARG 693 CO -0.05 0.55 0.55 0.74 -1.07 0.00 0.00 179.97 180.69 3gqc h PHE 694 N -0.75 1.20 0.00 3.04 -1.00 -0.87 -1.21 116.94 117.34 3gqc h PHE 694 Ca -0.01 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 3gqc h PHE 694 Cb 0.64 -0.39 0.00 0.00 3.61 0.00 0.00 35.95 39.80 3gqc h PHE 694 CO 0.14 0.80 0.00 0.00 -1.61 0.00 0.00 178.31 177.64 3gqc n ARG 696 N -1.32 1.71 -1.04 0.00 1.74 -0.71 -4.76 116.66 112.29 3gqc n ARG 696 Ca 0.08 -1.70 -0.01 0.00 -0.77 0.00 0.00 57.85 55.44 3gqc n ARG 696 Cb 0.15 -1.36 -0.01 0.00 -1.02 0.00 0.00 32.46 30.22 3gqc n ARG 696 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gqc n GLY 697 N 1.05 0.51 3.76 -0.13 0.00 -0.62 -4.91 105.19 104.85 3gqc n GLY 697 Ca 0.12 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 3gqc n GLY 697 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqc s LEU 698 N -0.31 4.30 -0.30 0.99 1.43 -0.54 -4.80 118.68 119.45 3gqc s LEU 698 Ca 0.00 0.65 -0.12 0.00 -1.03 0.00 0.00 54.13 53.62 3gqc s LEU 698 Cb 0.00 -2.45 0.16 0.00 0.03 0.00 0.00 46.19 43.94 3gqc s LEU 698 CO 0.00 0.15 0.90 -0.62 0.23 0.00 0.00 176.35 177.01 3gqc s ASP 699 N 0.09 -0.74 0.00 2.29 3.68 -1.26 -3.78 116.67 116.94 3gqc s ASP 699 Ca 0.19 0.83 0.18 0.00 2.13 0.00 0.00 52.55 55.88 3gqc s ASP 699 Cb -0.14 1.77 0.03 0.00 -1.45 0.00 0.00 42.92 43.13 3gqc s ASP 699 CO 0.07 -0.14 0.95 -0.90 0.13 0.00 0.00 175.17 175.28 3gqc n ASP 700 N 5.19 1.93 -4.73 -0.34 3.85 -1.26 -4.70 116.55 116.49 3gqc n ASP 700 Ca -0.08 -1.46 -0.41 0.00 -0.71 0.00 0.00 54.79 52.12 3gqc n ASP 700 Cb 0.52 0.36 -0.03 0.00 -1.35 0.00 0.00 41.12 40.61 3gqc n ASP 700 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3gqc s ARG 701 N -1.92 4.45 0.70 0.11 1.70 -1.26 -5.01 118.95 117.72 3gqc s ARG 701 Ca 0.16 1.89 -0.11 0.00 -0.47 0.00 0.00 55.73 57.21 3gqc s ARG 701 Cb 0.15 -3.26 0.02 0.00 -0.57 0.00 0.00 34.95 31.29 3gqc s ARG 701 CO 0.39 -0.17 1.08 -1.25 -1.08 0.00 0.00 175.30 174.27 3gqc s PRO 702 N 0.17 2.79 0.04 3.89 0.04 -1.26 -4.63 135.00 136.04 3gqc s PRO 702 Ca 0.56 0.37 -0.32 0.00 0.04 0.00 0.00 61.00 61.65 3gqc s PRO 702 Cb -0.33 -2.05 -0.11 0.00 0.04 0.00 0.00 34.50 32.06 3gqc s PRO 702 CO 0.35 -1.04 1.89 0.28 0.04 0.00 0.00 177.00 178.52 3gqc n VAL 703 N -2.98 0.55 -2.91 -0.36 0.31 -1.26 -4.93 118.33 106.76 3gqc n VAL 703 Ca 0.07 -0.10 -0.43 0.00 -0.01 0.00 0.00 64.34 63.86 3gqc n VAL 703 Cb 0.58 -2.10 -0.04 0.00 -0.91 0.00 0.00 33.84 31.36 3gqc n VAL 703 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gqc s ARG 704 N 3.61 3.13 0.39 5.55 3.03 -1.26 -4.89 118.95 128.52 3gqc s ARG 704 Ca 0.87 -0.82 0.21 0.00 2.03 0.00 0.00 55.73 58.02 3gqc s ARG 704 Cb -0.53 -4.20 0.36 0.00 -1.03 0.00 0.00 34.95 29.55 3gqc s ARG 704 CO 0.43 -1.69 1.59 1.79 -1.13 0.00 0.00 175.30 176.29 3gqc h THR 705 N 5.97 0.36 -3.65 4.99 1.35 -1.92 -3.41 112.91 116.59 3gqc h THR 705 Ca -0.28 -1.41 -0.37 0.00 -0.55 0.00 0.00 66.41 63.80 3gqc h THR 705 Cb 1.07 2.10 -0.32 0.00 -1.73 0.00 0.00 68.15 69.28 3gqc h THR 705 CO 1.14 0.20 -0.76 -1.83 -0.25 0.00 0.00 175.52 174.02 3gqc s GLU 706 N -3.19 0.59 -0.02 4.72 -1.05 -1.26 -4.35 118.70 114.14 3gqc s GLU 706 Ca 0.05 -0.11 0.06 0.00 -0.15 0.00 0.00 54.97 54.82 3gqc s GLU 706 Cb 0.07 -0.62 -0.01 0.00 -0.44 0.00 0.00 34.13 33.13 3gqc s GLU 706 CO 0.69 -0.01 -0.19 0.15 0.95 0.00 0.00 175.26 176.85 3gqc s LYS 707 N 0.52 1.61 -0.24 -4.83 3.01 -1.26 -5.13 119.74 113.43 3gqc s LYS 707 Ca -0.06 -0.67 -0.06 0.00 -1.01 0.00 0.00 55.97 54.16 3gqc s LYS 707 Cb -0.10 -1.52 -0.02 0.00 -1.01 0.00 0.00 37.83 35.18 3gqc s LYS 707 CO -0.00 0.38 0.04 -1.21 0.51 0.00 0.00 175.35 175.07 3gqc s GLU 708 N -0.36 3.59 0.33 1.68 2.02 -1.26 -5.02 118.70 119.68 3gqc s GLU 708 Ca 0.05 -0.51 -0.29 0.00 0.02 0.00 0.00 54.97 54.24 3gqc s GLU 708 Cb -0.08 -3.23 -0.11 0.00 0.10 0.00 0.00 34.13 30.80 3gqc s GLU 708 CO -0.00 -0.17 1.48 0.50 0.02 0.00 0.00 175.26 177.08 3gqc s ARG 709 N 1.53 4.17 -0.00 1.61 3.52 -1.26 -4.93 118.95 123.59 3gqc s ARG 709 Ca 0.06 2.48 0.03 0.00 -0.13 0.00 0.00 55.73 58.17 3gqc s ARG 709 Cb -0.15 -3.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.19 3gqc s ARG 709 CO 0.02 -0.48 0.11 1.63 -0.81 0.00 0.00 175.30 175.77 3gqc n LYS 710 N 1.15 4.63 -3.65 5.12 4.01 -1.26 -4.99 118.16 123.17 3gqc n LYS 710 Ca 0.03 -0.01 -0.13 0.00 -0.51 0.00 0.00 58.31 57.70 3gqc n LYS 710 Cb 0.39 -0.74 -0.06 0.00 -0.51 0.00 0.00 35.03 34.11 3gqc n LYS 710 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3gqc s SER 711 N -1.53 -0.30 -0.03 4.39 1.04 -1.26 -4.30 113.70 111.71 3gqc s SER 711 Ca 0.01 -0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.44 3gqc s SER 711 Cb 0.02 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.60 3gqc s SER 711 CO 0.12 -0.69 -0.05 -0.69 0.98 0.00 0.00 173.24 172.92 3gqc s VAL 712 N -2.60 0.52 0.13 5.02 1.01 -0.39 -4.99 120.40 119.10 3gqc s VAL 712 Ca -0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 3gqc s VAL 712 Cb -0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 3gqc s VAL 712 CO -0.03 0.21 0.10 -0.94 0.00 0.00 0.00 175.10 174.43 3gqc s SER 713 N 0.69 0.26 -0.11 3.32 1.04 -1.26 0.80 113.70 118.43 3gqc s SER 713 Ca -0.09 -1.11 -0.06 0.00 0.48 0.00 0.00 55.95 55.17 3gqc s SER 713 Cb -0.12 0.32 0.05 0.00 0.10 0.00 0.00 66.02 66.37 3gqc s SER 713 CO 0.00 -0.76 0.26 0.00 0.98 0.00 0.00 173.24 173.73 3gqc s ALA 714 N -4.02 -0.60 -0.04 5.32 0.00 0.36 -4.99 121.76 117.78 3gqc s ALA 714 Ca 0.21 1.04 -0.00 0.00 0.00 0.00 0.00 51.96 53.22 3gqc s ALA 714 Cb 0.07 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.52 3gqc s ALA 714 CO 0.00 -0.24 0.00 -2.00 0.00 0.00 0.00 175.76 173.53 3gqc s GLU 715 N 1.37 0.35 -0.25 0.00 2.12 -1.26 -0.47 118.70 120.56 3gqc s GLU 715 Ca -0.08 0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.35 3gqc s GLU 715 Cb -0.10 -0.59 0.07 0.00 0.26 0.00 0.00 34.13 33.76 3gqc s GLU 715 CO -0.09 -0.18 -0.01 0.42 -0.54 0.00 0.00 175.26 174.86 3gqc s ILE 716 N 1.29 1.35 -0.36 -3.70 1.01 -0.21 -5.00 121.20 115.58 3gqc s ILE 716 Ca -0.06 -1.25 0.06 0.00 0.00 0.00 0.00 60.65 59.40 3gqc s ILE 716 Cb -0.13 -1.74 0.46 0.00 0.01 0.00 0.00 42.46 41.05 3gqc s ILE 716 CO -0.02 -0.24 1.37 0.59 0.00 0.00 0.00 174.94 176.63 3gqc n ASN 717 N 4.71 5.12 -3.71 3.58 3.02 -1.26 -1.21 115.26 125.52 3gqc n ASN 717 Ca -0.09 -3.77 -0.12 0.00 -0.03 0.00 0.00 54.58 50.57 3gqc n ASN 717 Cb 0.44 -0.49 -0.10 0.00 -0.61 0.00 0.00 39.78 39.02 3gqc n ASN 717 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3gqc s TYR 718 N -3.60 -0.55 -0.77 3.10 5.04 -1.26 -4.11 117.35 115.20 3gqc s TYR 718 Ca 0.53 1.28 0.00 0.00 -2.44 0.00 0.00 57.07 56.44 3gqc s TYR 718 Cb 0.43 0.22 0.00 0.00 0.35 0.00 0.00 41.96 42.96 3gqc s TYR 718 CO 0.02 -0.28 0.00 0.41 -1.34 0.00 0.00 175.55 174.36 3gqc n GLY 719 N 3.31 0.71 3.41 8.97 0.00 0.19 -4.99 105.19 116.79 3gqc n GLY 719 Ca -0.16 -0.66 -0.44 0.00 0.00 0.00 0.00 46.02 44.75 3gqc n GLY 719 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqc s ILE 720 N -2.31 4.87 -0.13 -0.61 -1.09 -1.26 -5.02 121.20 115.65 3gqc s ILE 720 Ca 0.00 -0.74 -0.01 0.00 -2.23 0.00 0.00 60.65 57.67 3gqc s ILE 720 Cb 0.00 -4.38 0.03 0.00 -1.58 0.00 0.00 42.46 36.54 3gqc s ILE 720 CO 0.00 -0.94 -0.04 -0.13 -1.23 0.00 0.00 174.94 172.60 3gqc s ARG 721 N 2.61 1.23 -0.05 2.79 1.81 -1.26 -4.47 118.95 121.59 3gqc s ARG 721 Ca 0.13 -0.29 0.03 0.00 -1.72 0.00 0.00 55.73 53.89 3gqc s ARG 721 Cb -0.22 -1.66 0.00 0.00 -0.45 0.00 0.00 34.95 32.63 3gqc s ARG 721 CO 0.09 -0.37 -0.15 -0.06 -0.68 0.00 0.00 175.30 174.14 3gqc s PHE 722 N 1.75 1.58 -0.06 -0.53 0.08 -1.26 -5.02 117.98 114.52 3gqc s PHE 722 Ca 0.03 -0.51 0.07 0.00 0.12 0.00 0.00 56.93 56.64 3gqc s PHE 722 Cb -0.14 -1.10 -0.24 0.00 -0.57 0.00 0.00 43.02 40.97 3gqc s PHE 722 CO -0.07 -0.22 0.60 1.79 -0.10 0.00 0.00 175.22 177.22 3gqc h THR 723 N 5.57 0.80 -4.58 0.64 1.35 -1.94 -3.21 112.91 111.54 3gqc h THR 723 Ca -0.31 -2.61 -0.70 0.00 -0.55 0.00 0.00 66.41 62.24 3gqc h THR 723 Cb 1.18 2.46 -0.30 0.00 -1.73 0.00 0.00 68.15 69.76 3gqc h THR 723 CO 0.48 0.61 -0.89 -1.10 -0.25 0.00 0.00 175.52 174.37 3gqc s GLN 724 N -2.59 2.07 0.33 4.72 -0.21 -1.26 -4.58 119.66 118.14 3gqc s GLN 724 Ca -0.09 -0.94 0.12 0.00 0.02 0.00 0.00 55.36 54.47 3gqc s GLN 724 Cb 0.08 -2.02 0.99 0.00 1.00 0.00 0.00 33.01 33.05 3gqc s GLN 724 CO 0.81 0.55 1.70 -1.35 -2.12 0.00 0.00 175.29 174.88 3gqc h PRO 725 N 5.43 0.44 0.00 2.91 0.11 -1.97 0.99 132.00 139.91 3gqc h PRO 725 Ca -0.43 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3gqc h PRO 725 Cb 1.12 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3gqc h PRO 725 CO 0.47 0.29 -0.05 0.87 -0.21 0.00 0.00 178.00 179.37 3gqc h LYS 726 N 0.45 0.00 0.17 1.05 6.56 -2.00 -2.28 116.57 120.53 3gqc h LYS 726 Ca 0.69 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 59.95 3gqc h LYS 726 Cb 1.45 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 33.12 3gqc h LYS 726 CO -0.53 0.05 -1.61 0.93 -2.06 0.00 0.00 179.45 176.23 3gqc h GLU 727 N 0.00 0.37 -0.33 3.15 5.08 -1.22 -3.00 114.58 118.63 3gqc h GLU 727 Ca -0.00 -0.63 0.01 0.00 -1.00 0.00 0.00 59.36 57.74 3gqc h GLU 727 Cb 0.18 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3gqc h GLU 727 CO 0.01 1.30 0.21 0.00 -1.00 0.00 0.00 179.01 179.52 3gqc h ALA 728 N 0.07 0.41 -0.50 3.43 0.00 -1.24 -2.57 119.26 118.86 3gqc h ALA 728 Ca -0.32 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3gqc h ALA 728 Cb 2.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 3gqc h ALA 728 CO 0.16 -0.14 0.11 0.93 0.00 0.00 0.00 179.25 180.30 3gqc h GLU 729 N 0.42 0.81 -0.65 0.00 5.08 -1.54 -1.84 114.58 116.86 3gqc h GLU 729 Ca 0.12 -0.20 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3gqc h GLU 729 Cb -0.03 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 3gqc h GLU 729 CO -0.04 0.79 0.38 0.00 -1.00 0.00 0.00 179.01 179.14 3gqc h ALA 730 N 0.98 0.86 -0.41 3.43 0.00 -1.41 -1.87 119.26 120.84 3gqc h ALA 730 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3gqc h ALA 730 Cb 0.36 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3gqc h ALA 730 CO 0.00 0.08 0.19 0.35 0.00 0.00 0.00 179.25 179.88 3gqc h PHE 731 N 0.71 0.60 -0.46 0.00 3.57 -1.22 -1.95 116.94 118.18 3gqc h PHE 731 Ca 0.28 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.82 3gqc h PHE 731 Cb 0.13 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 3gqc h PHE 731 CO -0.07 0.50 0.31 -0.07 -2.23 0.00 0.00 178.31 176.75 3gqc h LEU 732 N 0.52 0.28 -0.40 0.59 3.38 -0.95 0.86 115.31 119.58 3gqc h LEU 732 Ca 0.14 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.93 3gqc h LEU 732 Cb 0.13 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3gqc h LEU 732 CO -0.02 0.18 -0.72 -0.07 0.09 0.00 0.00 178.44 177.90 3gqc h LEU 733 N 0.31 0.52 -0.38 1.67 4.07 -0.96 -2.33 115.31 118.21 3gqc h LEU 733 Ca 0.21 -0.33 -0.18 0.00 0.08 0.00 0.00 57.88 57.65 3gqc h LEU 733 Cb 0.42 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 3gqc h LEU 733 CO -0.05 1.07 -0.80 -1.28 -1.08 0.00 0.00 178.44 176.30 3gqc h SER 734 N 0.30 0.25 0.79 -0.43 0.87 -0.56 -2.62 113.55 112.16 3gqc h SER 734 Ca -0.03 -0.19 -0.14 0.00 -1.23 0.00 0.00 61.79 60.20 3gqc h SER 734 Cb 1.29 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.15 3gqc h SER 734 CO 0.13 0.95 -0.68 0.25 -0.53 0.00 0.00 176.83 176.95 3gqc h LEU 735 N 0.12 0.00 -0.85 2.23 5.85 -0.87 -2.37 115.31 119.43 3gqc h LEU 735 Ca -0.03 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 3gqc h LEU 735 Cb 1.40 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 3gqc h LEU 735 CO 0.12 0.68 -0.19 0.28 -0.34 0.00 0.00 178.44 178.99 3gqc h SER 736 N 0.00 0.65 -0.58 1.25 0.02 -1.33 0.63 113.55 114.19 3gqc h SER 736 Ca -0.01 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3gqc h SER 736 Cb 1.26 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.59 3gqc h SER 736 CO 0.09 0.84 0.35 -0.33 -1.14 0.00 0.00 176.83 176.64 3gqc h GLU 737 N 0.58 0.78 -0.50 3.45 5.08 -1.22 0.01 114.58 122.76 3gqc h GLU 737 Ca 0.09 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3gqc h GLU 737 Cb 0.65 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3gqc h GLU 737 CO 0.05 0.56 0.22 1.49 -1.00 0.00 0.00 179.01 180.32 3gqc h GLU 738 N 0.78 0.71 -0.30 2.33 4.57 -0.94 -2.49 114.58 119.24 3gqc h GLU 738 Ca 0.21 -0.09 -0.13 0.00 -1.18 0.00 0.00 59.36 58.17 3gqc h GLU 738 Cb -0.03 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 3gqc h GLU 738 CO -0.04 0.57 -0.35 0.82 -1.18 0.00 0.00 179.01 178.83 3gqc h ILE 739 N 0.71 1.29 -0.32 2.32 1.08 -0.19 -2.69 117.51 119.70 3gqc h ILE 739 Ca 0.17 -1.50 0.02 0.00 -0.39 0.00 0.00 64.86 63.17 3gqc h ILE 739 Cb 0.11 1.43 -0.02 0.00 -3.07 0.00 0.00 36.82 35.27 3gqc h ILE 739 CO -0.02 0.48 0.17 -0.61 -0.69 0.00 0.00 178.15 177.48 3gqc h GLN 740 N 0.56 0.34 -0.45 2.37 4.15 -0.61 -2.15 115.11 119.32 3gqc h GLN 740 Ca 0.06 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.52 3gqc h GLN 740 Cb 0.86 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.42 3gqc h GLN 740 CO 0.07 0.23 0.14 0.00 -1.93 0.00 0.00 178.83 177.34 3gqc h ARG 741 N 0.35 0.28 -0.04 1.69 3.08 -1.28 -1.12 114.38 117.35 3gqc h ARG 741 Ca 0.13 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 3gqc h ARG 741 Cb 0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3gqc h ARG 741 CO -0.08 0.19 -0.40 0.00 -1.07 0.00 0.00 179.97 178.61 3gqc h ARG 742 N 0.29 0.08 -0.25 0.04 3.08 -1.29 -0.03 114.38 116.30 3gqc h ARG 742 Ca 0.21 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 60.04 3gqc h ARG 742 Cb 0.23 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3gqc h ARG 742 CO -0.24 0.47 -0.58 -0.07 -1.07 0.00 0.00 179.97 178.48 3gqc h LEU 743 N 0.07 0.94 0.49 3.04 3.38 -1.00 -2.63 115.31 119.59 3gqc h LEU 743 Ca 0.00 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 3gqc h LEU 743 Cb 0.74 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3gqc h LEU 743 CO 0.05 1.33 -0.23 -0.33 0.09 0.00 0.00 178.44 179.35 3gqc h GLU 744 N 0.59 -0.63 -1.10 1.13 5.08 -0.65 0.36 114.58 119.37 3gqc h GLU 744 Ca -0.00 0.04 0.30 0.00 -1.00 0.00 0.00 59.36 58.70 3gqc h GLU 744 Cb 1.20 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 30.49 3gqc h GLU 744 CO 0.13 -0.39 0.72 0.00 -1.00 0.00 0.00 179.01 178.47 3gqc h ALA 745 N -0.24 2.41 -0.02 3.43 0.00 -1.07 0.45 119.26 124.22 3gqc h ALA 745 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gqc h ALA 745 Cb 0.54 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3gqc h ALA 745 CO 0.11 -0.85 -0.09 2.41 0.00 0.00 0.00 179.25 180.84 3gqc n THR 746 N -4.59 0.00 -3.76 0.00 -1.04 -0.99 -4.97 114.28 98.93 3gqc n THR 746 Ca 0.27 -0.34 -0.29 0.00 -2.04 0.00 0.00 64.05 61.66 3gqc n THR 746 Cb 1.01 0.98 0.02 0.00 -1.82 0.00 0.00 70.33 70.52 3gqc n THR 746 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gqc n GLY 747 N 1.29 -0.70 3.09 3.41 0.00 0.16 -4.94 105.19 107.50 3gqc n GLY 747 Ca 0.15 0.34 -0.09 0.00 0.00 0.00 0.00 46.02 46.42 3gqc n GLY 747 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gqc s MET 748 N -6.14 0.56 0.16 1.61 -1.94 -0.04 -2.12 119.30 111.38 3gqc s MET 748 Ca 0.30 -0.88 0.08 0.00 -1.71 0.00 0.00 55.69 53.48 3gqc s MET 748 Cb -0.11 0.21 -0.04 0.00 2.01 0.00 0.00 34.83 36.90 3gqc s MET 748 CO 0.86 -0.13 -0.17 0.15 -0.01 0.00 0.00 175.02 175.72 3gqc s LYS 749 N -2.86 1.23 0.07 2.03 1.02 0.15 -4.41 119.74 116.97 3gqc s LYS 749 Ca -0.03 -1.39 0.03 0.00 0.02 0.00 0.00 55.97 54.60 3gqc s LYS 749 Cb 0.00 -1.25 -0.03 0.00 -0.52 0.00 0.00 37.83 36.03 3gqc s LYS 749 CO -0.06 0.25 -0.09 0.20 -0.92 0.00 0.00 175.35 174.73 3gqc s GLY 750 N -2.65 0.66 -0.18 -3.33 0.00 -0.21 -0.16 107.32 101.45 3gqc s GLY 750 Ca 0.15 -0.98 0.16 0.00 0.00 0.00 0.00 44.72 44.05 3gqc s GLY 750 CO 0.06 -1.04 0.06 0.28 0.00 0.00 0.00 173.10 172.46 3gqc n LYS 751 N 1.01 1.04 -4.19 2.90 5.02 -0.70 -0.78 118.16 122.46 3gqc n LYS 751 Ca -0.19 -0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 55.74 3gqc n LYS 751 Cb 0.56 -1.47 -0.12 0.00 -0.02 0.00 0.00 35.03 33.99 3gqc n LYS 751 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3gqc s ARG 752 N -2.44 3.69 -0.06 1.97 3.52 -1.01 -0.43 118.95 124.19 3gqc s ARG 752 Ca -0.09 -0.49 0.06 0.00 -0.13 0.00 0.00 55.73 55.07 3gqc s ARG 752 Cb 0.05 -3.04 -0.01 0.00 -1.56 0.00 0.00 34.95 30.40 3gqc s ARG 752 CO 0.74 0.14 -0.24 -0.51 -0.81 0.00 0.00 175.30 174.62 3gqc s LEU 753 N 0.66 2.12 -0.10 -0.88 1.02 0.34 -0.50 118.68 121.35 3gqc s LEU 753 Ca -0.01 -0.49 0.02 0.00 0.02 0.00 0.00 54.13 53.68 3gqc s LEU 753 Cb -0.14 -1.39 0.01 0.00 0.02 0.00 0.00 46.19 44.69 3gqc s LEU 753 CO 0.02 0.24 -0.17 -0.89 0.02 0.00 0.00 176.35 175.57 3gqc s THR 754 N -0.15 1.60 -0.20 5.49 2.01 0.06 -0.58 115.64 123.87 3gqc s THR 754 Ca -0.04 -0.73 -0.08 0.00 0.31 0.00 0.00 61.69 61.15 3gqc s THR 754 Cb -0.14 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 3gqc s THR 754 CO 0.04 0.46 0.09 -0.22 -0.69 0.00 0.00 174.62 174.30 3gqc s LEU 755 N 0.75 3.89 -0.17 4.42 0.20 0.78 -1.78 118.68 126.76 3gqc s LEU 755 Ca -0.11 0.08 0.01 0.00 0.69 0.00 0.00 54.13 54.79 3gqc s LEU 755 Cb -0.16 -2.01 0.03 0.00 -0.43 0.00 0.00 46.19 43.63 3gqc s LEU 755 CO 0.02 0.13 -0.12 -0.75 -0.29 0.00 0.00 176.35 175.35 3gqc s LYS 756 N 0.64 2.10 -0.10 1.98 2.20 -0.15 -1.44 119.74 124.96 3gqc s LYS 756 Ca 0.05 -0.69 0.01 0.00 -0.36 0.00 0.00 55.97 54.98 3gqc s LYS 756 Cb -0.13 -2.24 -0.02 0.00 -1.51 0.00 0.00 37.83 33.93 3gqc s LYS 756 CO 0.01 -0.34 -0.12 0.42 -0.36 0.00 0.00 175.35 174.96 3gqc s ILE 757 N 1.46 3.17 -0.21 5.43 -1.09 -0.08 -0.46 121.20 129.41 3gqc s ILE 757 Ca 0.02 -0.65 -0.13 0.00 -2.23 0.00 0.00 60.65 57.66 3gqc s ILE 757 Cb -0.15 -2.30 -0.05 0.00 -1.58 0.00 0.00 42.46 38.39 3gqc s ILE 757 CO -0.09 0.55 0.26 -0.04 -1.23 0.00 0.00 174.94 174.39 3gqc s MET 758 N -0.14 4.14 -0.05 2.79 -1.94 0.21 -1.24 119.30 123.07 3gqc s MET 758 Ca -0.00 -0.06 0.05 0.00 -1.71 0.00 0.00 55.69 53.97 3gqc s MET 758 Cb -0.13 -3.51 -0.01 0.00 2.01 0.00 0.00 34.83 33.18 3gqc s MET 758 CO 0.03 0.07 -0.21 0.54 -0.01 0.00 0.00 175.02 175.45 3gqc s VAL 759 N 1.01 1.70 0.12 -6.03 0.11 -0.03 0.15 120.40 117.43 3gqc s VAL 759 Ca 0.13 -0.87 -0.35 0.00 -2.93 0.00 0.00 61.98 57.96 3gqc s VAL 759 Cb -0.14 -1.44 -0.17 0.00 -1.53 0.00 0.00 36.38 33.10 3gqc s VAL 759 CO 0.05 0.48 1.17 -1.14 -3.33 0.00 0.00 175.10 172.33 3gqc n ARG 760 N 3.02 0.92 -3.10 1.54 0.63 0.39 -0.37 116.66 119.69 3gqc n ARG 760 Ca -0.18 0.33 -0.39 0.00 -0.92 0.00 0.00 57.85 56.69 3gqc n ARG 760 Cb 0.53 -1.85 -0.05 0.00 0.45 0.00 0.00 32.46 31.54 3gqc n ARG 760 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3gqc s LYS 761 N -0.06 4.41 -0.44 -0.14 0.00 -1.07 -4.70 119.74 117.74 3gqc s LYS 761 Ca 0.79 0.83 -0.44 0.00 0.00 0.00 0.00 55.97 57.15 3gqc s LYS 761 Cb -0.96 -3.41 -0.18 0.00 0.00 0.00 0.00 37.83 33.28 3gqc s LYS 761 CO 0.51 0.17 1.79 -2.30 0.00 0.00 0.00 175.35 175.52 3gqc n PRO 762 N 3.41 0.32 0.00 1.78 -0.01 -1.26 -1.14 135.00 138.10 3gqc n PRO 762 Ca -0.03 0.11 0.00 0.00 -0.01 0.00 0.00 63.50 63.57 3gqc n PRO 762 Cb 0.51 -1.70 0.00 0.00 -0.01 0.00 0.00 33.50 32.31 3gqc n PRO 762 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3gqc n GLY 763 N 4.98 2.65 3.79 -1.23 0.00 -1.26 -5.08 105.19 109.03 3gqc n GLY 763 Ca 0.36 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.99 3gqc n GLY 763 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqc s ALA 764 N -2.36 3.48 0.18 4.61 0.00 -0.29 -5.01 121.76 122.38 3gqc s ALA 764 Ca 0.00 0.28 -0.31 0.00 0.00 0.00 0.00 51.96 51.93 3gqc s ALA 764 Cb 0.00 -2.87 -0.10 0.00 0.00 0.00 0.00 23.12 20.15 3gqc s ALA 764 CO 0.00 0.32 1.52 -1.25 0.00 0.00 0.00 175.76 176.35 3gqc s PRO 765 N -1.17 4.24 0.46 0.00 0.04 -1.26 -4.84 135.00 132.47 3gqc s PRO 765 Ca 0.34 2.32 0.29 0.00 0.04 0.00 0.00 61.00 63.99 3gqc s PRO 765 Cb -0.22 -3.15 1.37 0.00 0.04 0.00 0.00 34.50 32.54 3gqc s PRO 765 CO 0.24 -0.54 1.71 0.28 0.04 0.00 0.00 177.00 178.73 3gqc h VAL 766 N 3.93 0.32 -3.44 -0.36 2.07 -1.95 -3.36 116.25 113.46 3gqc h VAL 766 Ca -0.43 -0.06 -0.59 0.00 0.82 0.00 0.00 66.70 66.44 3gqc h VAL 766 Cb 1.21 0.14 -0.10 0.00 -1.52 0.00 0.00 31.29 31.01 3gqc h VAL 766 CO 0.88 0.03 -0.08 -0.70 0.02 0.00 0.00 177.57 177.72 3gqc s GLU 767 N -5.25 4.21 0.24 1.57 2.56 -1.26 -5.06 118.70 115.72 3gqc s GLU 767 Ca -0.07 0.39 -0.22 0.00 0.00 0.00 0.00 54.97 55.07 3gqc s GLU 767 Cb 0.26 -3.54 -0.09 0.00 2.00 0.00 0.00 34.13 32.77 3gqc s GLU 767 CO 0.82 -0.08 0.78 0.99 -0.56 0.00 0.00 175.26 177.20 3gqc s THR 768 N 1.43 4.46 0.25 -1.70 2.01 -1.26 -4.28 115.64 116.54 3gqc s THR 768 Ca 0.24 1.46 -0.06 0.00 0.31 0.00 0.00 61.69 63.63 3gqc s THR 768 Cb -0.15 -3.92 0.23 0.00 0.01 0.00 0.00 72.50 68.67 3gqc s THR 768 CO 0.09 0.22 1.89 0.00 -0.69 0.00 0.00 174.62 176.14 3gqc h ALA 769 N 3.44 1.23 -2.80 7.40 0.00 -1.91 -3.41 119.26 123.21 3gqc h ALA 769 Ca -0.48 -0.10 -0.60 0.00 0.00 0.00 0.00 54.91 53.73 3gqc h ALA 769 Cb 1.19 -0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 3gqc h ALA 769 CO 0.65 0.65 -0.20 0.21 0.00 0.00 0.00 179.25 180.56 3gqc s LYS 770 N -5.93 4.08 -0.02 0.00 2.20 -1.26 -4.93 119.74 113.87 3gqc s LYS 770 Ca -0.13 0.38 -0.30 0.00 -0.36 0.00 0.00 55.97 55.56 3gqc s LYS 770 Cb 0.17 -3.31 -0.09 0.00 -1.51 0.00 0.00 37.83 33.10 3gqc s LYS 770 CO 0.82 0.48 2.01 0.34 -0.36 0.00 0.00 175.35 178.64 3gqc n PHE 771 N 2.57 2.40 -0.29 4.03 7.35 -1.26 -1.67 117.46 130.59 3gqc n PHE 771 Ca -0.12 -0.29 0.00 0.00 -0.76 0.00 0.00 57.45 56.28 3gqc n PHE 771 Cb 0.52 -2.78 0.00 0.00 0.35 0.00 0.00 39.48 37.57 3gqc n PHE 771 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gqc n GLY 772 N 4.75 1.15 3.68 7.13 0.00 -1.26 -4.93 105.19 115.71 3gqc n GLY 772 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 3gqc n GLY 772 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gqc s GLY 773 N -1.75 1.63 0.15 -0.02 0.00 -0.67 0.54 107.32 107.20 3gqc s GLY 773 Ca 0.00 0.11 0.24 0.00 0.00 0.00 0.00 44.72 45.07 3gqc s GLY 773 CO 0.00 0.60 1.23 1.12 0.00 0.00 0.00 173.10 176.06 3gqc h HIS 774 N -1.75 0.00 -0.95 1.90 2.07 -1.81 -3.43 115.15 111.18 3gqc h HIS 774 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 3gqc h HIS 774 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 3gqc h HIS 774 CO 0.43 0.00 0.00 0.41 -3.07 0.00 0.00 177.93 175.70 3gqc n GLY 775 N 1.29 -0.04 3.72 6.13 0.00 -1.26 -4.60 105.19 110.43 3gqc n GLY 775 Ca 0.02 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 3gqc n GLY 775 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqc s ILE 776 N 0.00 2.32 0.08 -0.61 1.09 -1.26 -4.99 121.20 117.83 3gqc s ILE 776 Ca 0.00 0.23 -0.12 0.00 -1.10 0.00 0.00 60.65 59.66 3gqc s ILE 776 Cb 0.00 -3.15 0.01 0.00 -1.06 0.00 0.00 42.46 38.26 3gqc s ILE 776 CO 0.00 0.02 0.27 0.00 -0.10 0.00 0.00 174.94 175.13 3gqc s ASP 778 N -2.59 4.66 -0.12 0.00 -0.00 0.51 -4.80 116.67 114.32 3gqc s ASP 778 Ca 0.01 -0.93 0.02 0.00 -0.00 0.00 0.00 52.55 51.66 3gqc s ASP 778 Cb 0.02 -0.55 -0.00 0.00 -0.00 0.00 0.00 42.92 42.39 3gqc s ASP 778 CO -0.09 -0.54 -0.20 0.20 -0.00 0.00 0.00 175.17 174.55 3gqc s ASN 779 N -3.96 3.41 -0.18 0.27 0.01 -1.26 -0.85 114.94 112.38 3gqc s ASN 779 Ca 0.43 -0.50 -0.02 0.00 -0.71 0.00 0.00 52.86 52.06 3gqc s ASN 779 Cb 0.01 -1.49 -0.01 0.00 0.41 0.00 0.00 41.25 40.17 3gqc s ASN 779 CO 0.24 0.13 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.24 3gqc s ILE 780 N 0.51 3.07 -0.02 0.60 -1.09 -0.38 -4.98 121.20 118.91 3gqc s ILE 780 Ca -0.13 -0.62 0.03 0.00 -2.23 0.00 0.00 60.65 57.71 3gqc s ILE 780 Cb -0.17 -2.34 -0.00 0.00 -1.58 0.00 0.00 42.46 38.37 3gqc s ILE 780 CO 0.05 0.48 -0.12 0.00 -1.23 0.00 0.00 174.94 174.12 3gqc s ALA 781 N 1.02 1.03 0.03 9.38 0.00 -1.26 -0.91 121.76 131.06 3gqc s ALA 781 Ca -0.01 -0.47 0.06 0.00 0.00 0.00 0.00 51.96 51.54 3gqc s ALA 781 Cb -0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 3gqc s ALA 781 CO -0.01 0.21 -0.16 1.03 0.00 0.00 0.00 175.76 176.82 3gqc s ARG 782 N -0.04 1.14 0.08 0.00 1.81 -0.52 -5.00 118.95 116.42 3gqc s ARG 782 Ca 0.00 -0.77 0.06 0.00 -1.72 0.00 0.00 55.73 53.30 3gqc s ARG 782 Cb -0.07 -1.17 -0.03 0.00 -0.45 0.00 0.00 34.95 33.23 3gqc s ARG 782 CO 0.00 0.30 -0.15 -0.08 -0.68 0.00 0.00 175.30 174.69 3gqc s THR 783 N -0.73 1.25 0.04 0.02 -1.32 -1.26 -0.16 115.64 113.49 3gqc s THR 783 Ca 0.04 -1.40 -0.01 0.00 -1.21 0.00 0.00 61.69 59.11 3gqc s THR 783 Cb -0.08 -1.22 -0.03 0.00 -1.51 0.00 0.00 72.50 69.66 3gqc s THR 783 CO 0.01 -0.22 -0.02 0.68 -2.21 0.00 0.00 174.62 172.86 3gqc s VAL 784 N -1.36 0.18 -0.08 5.08 -7.23 0.25 -4.99 120.40 112.26 3gqc s VAL 784 Ca 0.01 -1.47 0.05 0.00 -1.81 0.00 0.00 61.98 58.76 3gqc s VAL 784 Cb -0.09 -1.07 -0.00 0.00 0.56 0.00 0.00 36.38 35.77 3gqc s VAL 784 CO 0.03 -0.81 -0.23 -0.89 -0.31 0.00 0.00 175.10 172.88 3gqc s THR 785 N -3.04 1.97 0.54 5.32 2.01 -1.26 -0.50 115.64 120.67 3gqc s THR 785 Ca -0.01 -0.99 -0.02 0.00 0.31 0.00 0.00 61.69 60.98 3gqc s THR 785 Cb 0.02 -1.69 0.01 0.00 0.01 0.00 0.00 72.50 70.85 3gqc s THR 785 CO -0.07 0.54 0.79 -0.76 -0.69 0.00 0.00 174.62 174.44 3gqc s LEU 786 N 0.13 3.37 0.03 4.42 1.43 0.43 -5.01 118.68 123.49 3gqc s LEU 786 Ca -0.12 0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 53.12 3gqc s LEU 786 Cb -0.16 -3.20 -0.15 0.00 0.03 0.00 0.00 46.19 42.71 3gqc s LEU 786 CO 0.06 -0.98 1.37 -0.78 0.23 0.00 0.00 176.35 176.25 3gqc h ASP 787 N 0.07 0.26 -4.39 2.29 3.58 -1.99 -3.45 116.42 112.79 3gqc h ASP 787 Ca -0.45 -0.43 -0.59 0.00 0.42 0.00 0.00 57.03 55.99 3gqc h ASP 787 Cb 1.27 -0.07 -0.29 0.00 1.72 0.00 0.00 39.33 41.96 3gqc h ASP 787 CO 0.57 0.63 -0.85 -1.10 -2.88 0.00 0.00 179.24 175.62 3gqc s GLN 788 N -4.50 1.58 0.33 0.28 -1.52 -1.26 -5.10 119.66 109.47 3gqc s GLN 788 Ca -0.15 -0.73 -0.28 0.00 -1.95 0.00 0.00 55.36 52.26 3gqc s GLN 788 Cb 0.05 -1.54 -0.13 0.00 -0.22 0.00 0.00 33.01 31.16 3gqc s GLN 788 CO 0.72 0.42 1.19 0.00 -0.25 0.00 0.00 175.29 177.38 3gqc n ALA 789 N 2.52 0.78 -2.34 6.09 0.00 -1.26 -4.78 120.51 121.52 3gqc n ALA 789 Ca -0.15 0.36 -0.17 0.00 0.00 0.00 0.00 53.44 53.47 3gqc n ALA 789 Cb 0.53 -2.17 -0.10 0.00 0.00 0.00 0.00 19.45 17.70 3gqc n ALA 789 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3gqc s THR 790 N -1.10 0.65 -0.00 0.00 -1.32 0.04 -4.76 115.64 109.15 3gqc s THR 790 Ca 0.57 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 59.11 3gqc s THR 790 Cb -0.61 -2.65 0.10 0.00 -1.51 0.00 0.00 72.50 67.83 3gqc s THR 790 CO 0.61 0.00 1.04 -0.90 -2.21 0.00 0.00 174.62 173.16 3gqc n ASP 791 N -0.53 0.24 -4.58 8.08 5.75 -1.26 -1.05 116.55 123.20 3gqc n ASP 791 Ca -0.00 -2.02 -0.42 0.00 -0.01 0.00 0.00 54.79 52.34 3gqc n ASP 791 Cb 0.66 -0.22 -0.06 0.00 -1.03 0.00 0.00 41.12 40.47 3gqc n ASP 791 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3gqc s ASN 792 N -1.24 6.51 0.48 -1.12 3.84 -1.26 -4.64 114.94 117.51 3gqc s ASN 792 Ca 0.08 0.30 0.16 0.00 0.21 0.00 0.00 52.86 53.60 3gqc s ASN 792 Cb 0.09 -2.37 1.16 0.00 -0.55 0.00 0.00 41.25 39.57 3gqc s ASN 792 CO -0.04 -0.67 2.05 0.00 -2.79 0.00 0.00 177.10 175.66 3gqc h ALA 793 N 8.45 2.06 -0.26 1.71 0.00 -1.95 0.35 119.26 129.62 3gqc h ALA 793 Ca -0.25 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 3gqc h ALA 793 Cb 1.10 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3gqc h ALA 793 CO 0.88 -0.13 -0.31 0.87 0.00 0.00 0.00 179.25 180.56 3gqc h LYS 794 N 0.21 0.67 -0.02 0.00 1.79 -1.92 0.52 116.57 117.83 3gqc h LYS 794 Ca 0.16 -0.37 -0.18 0.00 -2.18 0.00 0.00 60.65 58.08 3gqc h LYS 794 Cb 0.36 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 3gqc h LYS 794 CO -0.03 0.98 -0.79 0.82 -1.08 0.00 0.00 179.45 179.36 3gqc h ILE 795 N 0.40 1.47 -0.09 1.86 2.04 -1.72 -1.61 117.51 119.86 3gqc h ILE 795 Ca 0.04 -2.45 -0.07 0.00 1.00 0.00 0.00 64.86 63.38 3gqc h ILE 795 Cb 0.88 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 3gqc h ILE 795 CO 0.07 0.71 -0.20 0.40 0.00 0.00 0.00 178.15 179.14 3gqc h ILE 796 N 0.11 1.40 -0.07 -0.67 2.04 -0.28 -2.80 117.51 117.24 3gqc h ILE 796 Ca -0.03 -1.50 -0.00 0.00 1.00 0.00 0.00 64.86 64.33 3gqc h ILE 796 Cb 1.38 2.15 -0.00 0.00 -0.74 0.00 0.00 36.82 39.61 3gqc h ILE 796 CO 0.12 0.43 0.04 1.23 0.00 0.00 0.00 178.15 179.97 3gqc h GLY 797 N -0.16 0.10 0.27 5.37 0.00 0.06 -1.24 103.07 107.47 3gqc h GLY 797 Ca 0.00 -0.04 0.14 0.00 0.00 0.00 0.00 47.33 47.43 3gqc h GLY 797 CO 0.04 0.04 0.43 1.70 0.00 0.00 0.00 176.54 178.75 3gqc h LYS 798 N 0.06 0.61 -0.64 4.80 1.63 -1.40 -0.20 116.57 121.44 3gqc h LYS 798 Ca 0.03 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.72 3gqc h LYS 798 Cb 0.03 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.50 3gqc h LYS 798 CO -0.00 0.41 0.11 0.00 -3.45 0.00 0.00 179.45 176.52 3gqc h ALA 799 N 1.54 0.84 -0.48 5.00 0.00 -1.15 -1.80 119.26 123.22 3gqc h ALA 799 Ca 0.45 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 55.17 3gqc h ALA 799 Cb 0.60 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 3gqc h ALA 799 CO -0.35 0.59 0.14 0.52 0.00 0.00 0.00 179.25 180.16 3gqc h MET 800 N 0.96 0.29 0.57 0.00 2.86 -0.36 -1.64 114.93 117.61 3gqc h MET 800 Ca 0.19 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 3gqc h MET 800 Cb 0.42 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.01 3gqc h MET 800 CO 0.01 0.19 -0.31 -0.07 1.06 0.00 0.00 176.91 177.79 3gqc h LEU 801 N 0.29 -0.76 -0.68 1.22 4.07 -0.77 0.83 115.31 119.52 3gqc h LEU 801 Ca 0.23 0.04 0.08 0.00 0.08 0.00 0.00 57.88 58.31 3gqc h LEU 801 Cb 0.27 0.21 -0.11 0.00 1.08 0.00 0.00 40.66 42.12 3gqc h LEU 801 CO -0.27 -0.51 -0.52 0.78 -1.08 0.00 0.00 178.44 176.85 3gqc h ASN 802 N -0.82 -1.82 -0.87 -0.43 2.35 -1.26 -0.57 115.58 112.17 3gqc h ASN 802 Ca -0.07 0.28 0.01 0.00 -0.55 0.00 0.00 56.30 55.97 3gqc h ASN 802 Cb 0.65 0.80 -0.04 0.00 0.05 0.00 0.00 38.32 39.77 3gqc h ASN 802 CO 0.10 -0.32 0.57 0.24 -1.65 0.00 0.00 177.43 176.37 3gqc h MET 803 N -0.20 1.12 -0.32 0.81 2.86 -1.13 -2.34 114.93 115.73 3gqc h MET 803 Ca 0.15 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.65 3gqc h MET 803 Cb 0.53 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3gqc h MET 803 CO -0.76 0.74 -0.12 0.35 1.06 0.00 0.00 176.91 178.19 3gqc h PHE 804 N 1.16 0.59 -0.13 -0.22 3.57 0.01 -2.88 116.94 119.03 3gqc h PHE 804 Ca 0.32 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 3gqc h PHE 804 Cb -0.10 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 3gqc h PHE 804 CO -0.00 0.65 -0.29 0.45 -2.23 0.00 0.00 178.31 176.89 3gqc h HIS 805 N 0.50 0.28 0.00 0.41 3.86 -0.57 -2.59 115.15 117.04 3gqc h HIS 805 Ca 0.09 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3gqc h HIS 805 Cb 0.51 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.91 3gqc h HIS 805 CO 0.02 0.52 0.00 0.25 0.86 0.00 0.00 177.93 179.58 3gqc n THR 806 N -4.13 0.73 -2.80 2.45 -2.24 -1.09 -4.75 114.28 102.44 3gqc n THR 806 Ca -0.01 0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.49 3gqc n THR 806 Cb 0.39 -0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 67.68 3gqc n THR 806 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3gqc s MET 807 N -3.09 4.23 -0.79 -0.78 1.00 -0.98 -4.98 119.30 113.92 3gqc s MET 807 Ca 0.08 1.12 -0.25 0.00 0.00 0.00 0.00 55.69 56.64 3gqc s MET 807 Cb 0.12 -3.63 0.05 0.00 0.00 0.00 0.00 34.83 31.36 3gqc s MET 807 CO 0.38 -0.54 1.23 -1.59 0.00 0.00 0.00 175.02 174.50 3gqc s LYS 808 N 2.89 3.27 0.21 2.03 0.00 -1.26 -4.93 119.74 121.95 3gqc s LYS 808 Ca 0.39 -0.65 -0.22 0.00 0.00 0.00 0.00 55.97 55.49 3gqc s LYS 808 Cb -0.15 -4.46 0.06 0.00 0.00 0.00 0.00 37.83 33.28 3gqc s LYS 808 CO 0.08 -2.06 0.94 -0.48 0.00 0.00 0.00 175.35 173.83 3gqc s LEU 809 N 5.00 -0.10 0.04 2.77 -0.00 -1.26 -5.16 118.68 119.98 3gqc s LEU 809 Ca 0.34 -0.63 0.06 0.00 -0.00 0.00 0.00 54.13 53.90 3gqc s LEU 809 Cb -0.08 2.30 -0.03 0.00 -0.00 0.00 0.00 46.19 48.37 3gqc s LEU 809 CO 0.08 -1.10 -0.13 0.54 -0.00 0.00 0.00 176.35 175.74 3gqc s ASN 810 N -3.11 4.16 0.30 1.48 4.22 -1.26 -5.05 114.94 115.67 3gqc s ASN 810 Ca 0.16 -0.34 0.01 0.00 -2.14 0.00 0.00 52.86 50.55 3gqc s ASN 810 Cb -0.03 -0.79 0.46 0.00 1.28 0.00 0.00 41.25 42.18 3gqc s ASN 810 CO 0.05 0.25 1.81 0.40 -2.04 0.00 0.00 177.10 177.57 3gqc h ILE 811 N 3.76 1.22 -0.01 0.54 1.08 -1.88 -2.48 117.51 119.73 3gqc h ILE 811 Ca -0.48 -0.93 0.00 0.00 -0.39 0.00 0.00 64.86 63.07 3gqc h ILE 811 Cb 1.16 0.95 -0.00 0.00 -3.07 0.00 0.00 36.82 35.86 3gqc h ILE 811 CO 0.50 0.32 0.01 -1.28 -0.69 0.00 0.00 178.15 177.01 3gqc h SER 812 N 0.60 0.00 0.01 1.72 0.87 -1.80 -1.89 113.55 113.06 3gqc h SER 812 Ca 0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3gqc h SER 812 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3gqc h SER 812 CO 0.02 0.00 -0.06 0.47 -0.53 0.00 0.00 176.83 176.73 3gqc n ASP 813 N -4.02 1.90 -4.75 6.23 8.00 -0.94 -4.85 116.55 118.13 3gqc n ASP 813 Ca -0.03 -1.57 -0.41 0.00 0.71 0.00 0.00 54.79 53.49 3gqc n ASP 813 Cb 0.10 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 3gqc n ASP 813 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3gqc s MET 814 N -2.09 4.39 0.00 -1.24 -1.94 -0.71 -0.46 119.30 117.25 3gqc s MET 814 Ca 0.32 2.11 0.00 0.00 -1.71 0.00 0.00 55.69 56.41 3gqc s MET 814 Cb 0.20 -3.14 0.00 0.00 2.01 0.00 0.00 34.83 33.90 3gqc s MET 814 CO 0.36 -0.20 0.00 0.54 -0.01 0.00 0.00 175.02 175.72 3gqc n ARG 815 N 1.84 3.50 -3.61 2.03 5.12 0.39 -4.64 116.66 121.29 3gqc n ARG 815 Ca 0.03 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.91 3gqc n ARG 815 Cb 0.42 -0.46 -0.03 0.00 -1.16 0.00 0.00 32.46 31.23 3gqc n ARG 815 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3gqc s GLY 816 N -0.78 -0.20 0.00 -0.13 0.00 -1.07 -4.22 107.32 100.92 3gqc s GLY 816 Ca 0.00 1.95 0.01 0.00 0.00 0.00 0.00 44.72 46.68 3gqc s GLY 816 CO 0.00 0.73 -0.04 0.14 0.00 0.00 0.00 173.10 173.93 3gqc s VAL 817 N -1.92 0.32 -0.12 1.40 1.01 -0.35 0.66 120.40 121.41 3gqc s VAL 817 Ca 0.08 -0.28 -0.09 0.00 0.00 0.00 0.00 61.98 61.69 3gqc s VAL 817 Cb -0.01 -0.30 0.04 0.00 0.00 0.00 0.00 36.38 36.11 3gqc s VAL 817 CO -0.05 0.02 0.31 -0.83 0.00 0.00 0.00 175.10 174.56 3gqc s GLY 818 N -0.27 -0.22 -0.10 4.51 0.00 0.39 -1.05 107.32 110.58 3gqc s GLY 818 Ca -0.00 1.00 0.01 0.00 0.00 0.00 0.00 44.72 45.73 3gqc s GLY 818 CO -0.00 1.01 -0.13 -0.42 0.00 0.00 0.00 173.10 173.56 3gqc s ILE 819 N 0.61 3.12 -0.07 0.90 1.01 0.37 -0.98 121.20 126.16 3gqc s ILE 819 Ca -0.04 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 59.97 3gqc s ILE 819 Cb -0.05 -2.28 0.01 0.00 0.01 0.00 0.00 42.46 40.16 3gqc s ILE 819 CO -0.04 0.55 -0.11 -1.00 0.00 0.00 0.00 174.94 174.34 3gqc s HIS 820 N -0.11 1.46 -0.22 3.97 3.76 -0.73 -0.49 115.29 122.92 3gqc s HIS 820 Ca -0.01 -0.57 -0.04 0.00 -0.15 0.00 0.00 55.06 54.29 3gqc s HIS 820 Cb -0.14 -1.09 -0.01 0.00 1.11 0.00 0.00 32.58 32.45 3gqc s HIS 820 CO 0.03 -0.31 -0.03 0.08 -0.85 0.00 0.00 174.74 173.66 3gqc s VAL 821 N 0.82 3.49 0.20 -0.90 1.01 0.24 -0.76 120.40 124.50 3gqc s VAL 821 Ca -0.12 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.41 3gqc s VAL 821 Cb -0.15 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.64 3gqc s VAL 821 CO 0.02 0.42 0.04 0.59 0.00 0.00 0.00 175.10 176.17 3gqc n ASN 822 N 4.75 2.29 -3.59 3.32 3.02 0.34 -1.26 115.26 124.14 3gqc n ASN 822 Ca -0.18 -1.82 -0.19 0.00 -0.03 0.00 0.00 54.58 52.37 3gqc n ASN 822 Cb 0.51 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 3gqc n ASN 822 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gqc n GLN 823 N -0.63 -1.42 -3.50 3.52 6.02 -1.26 -2.40 117.38 117.70 3gqc n GLN 823 Ca -0.06 0.93 -0.32 0.00 -0.01 0.00 0.00 57.00 57.54 3gqc n GLN 823 Cb 0.25 -3.37 -0.05 0.00 1.02 0.00 0.00 30.24 28.08 3gqc n GLN 823 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3gqc s LEU 824 N -4.85 4.23 0.02 1.08 1.02 -1.26 -1.72 118.68 117.20 3gqc s LEU 824 Ca 0.04 0.83 0.04 0.00 0.02 0.00 0.00 54.13 55.05 3gqc s LEU 824 Cb -0.02 -3.46 -0.02 0.00 0.02 0.00 0.00 46.19 42.71 3gqc s LEU 824 CO 0.86 0.01 -0.12 0.68 0.02 0.00 0.00 176.35 177.79 3gqc s VAL 825 N -1.69 0.93 0.44 -1.59 -7.23 0.77 -4.98 120.40 107.04 3gqc s VAL 825 Ca 0.43 -0.75 -0.25 0.00 -1.81 0.00 0.00 61.98 59.60 3gqc s VAL 825 Cb -0.12 -0.83 -0.08 0.00 0.56 0.00 0.00 36.38 35.91 3gqc s VAL 825 CO 0.22 0.08 1.36 -2.84 -0.31 0.00 0.00 175.10 173.60 3gqc s PRO 826 N -0.76 3.78 0.00 4.82 0.02 -1.26 -0.68 135.00 140.92 3gqc s PRO 826 Ca 0.02 2.27 0.27 0.00 0.02 0.00 0.00 61.00 63.58 3gqc s PRO 826 Cb -0.06 -2.66 0.92 0.00 0.02 0.00 0.00 34.50 32.72 3gqc s PRO 826 CO 0.00 -0.69 1.67 0.25 -0.33 0.00 0.00 177.00 177.91