#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mix h ILE 319 N 0.00 0.90 -0.46 -3.67 2.10 -2.04 -3.02 117.51 111.32 3mix h ILE 319 Ca 0.00 -2.12 -0.05 0.00 1.08 0.00 0.00 64.86 63.77 3mix h ILE 319 Cb 0.00 2.34 -0.02 0.00 -1.09 0.00 0.00 36.82 38.04 3mix h ILE 319 CO 0.00 0.49 0.07 -0.07 -1.08 0.00 0.00 178.15 177.56 3mix h LEU 320 N 0.00 0.67 -0.64 2.19 3.38 -1.98 0.34 115.31 119.26 3mix h LEU 320 Ca -0.00 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 57.91 3mix h LEU 320 Cb 1.30 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 3mix h LEU 320 CO 0.06 0.69 0.34 -0.33 0.09 0.00 0.00 178.44 179.30 3mix h GLU 321 N 0.69 0.59 -0.10 1.13 4.39 -1.96 0.72 114.58 120.03 3mix h GLU 321 Ca 0.15 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 3mix h GLU 321 Cb 0.32 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3mix h GLU 321 CO 0.00 0.39 -0.07 1.49 -1.16 0.00 0.00 179.01 179.67 3mix h GLU 322 N 0.61 0.23 -0.56 2.33 4.81 -1.41 -0.56 114.58 120.04 3mix h GLU 322 Ca 0.30 -0.11 0.11 0.00 -0.13 0.00 0.00 59.36 59.53 3mix h GLU 322 Cb 0.23 -0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.52 3mix h GLU 322 CO -0.21 0.61 0.03 1.49 -0.73 0.00 0.00 179.01 180.20 3mix h GLU 323 N -0.15 0.14 -0.29 1.92 4.81 -0.74 1.33 114.58 121.61 3mix h GLU 323 Ca 0.02 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3mix h GLU 323 Cb 0.55 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3mix h GLU 323 CO 0.02 0.10 0.09 0.00 -0.73 0.00 0.00 179.01 178.48 3mix h ALA 324 N 1.49 0.37 -0.08 2.92 0.00 -0.83 -1.50 119.26 121.63 3mix h ALA 324 Ca 0.29 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.82 3mix h ALA 324 Cb 0.45 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.14 3mix h ALA 324 CO -0.45 0.01 -0.84 1.49 0.00 0.00 0.00 179.25 179.47 3mix h GLU 325 N 0.30 0.70 0.65 0.00 4.57 -0.37 -3.28 114.58 117.16 3mix h GLU 325 Ca 0.09 -0.65 -0.03 0.00 -1.18 0.00 0.00 59.36 57.59 3mix h GLU 325 Cb 0.25 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3mix h GLU 325 CO -0.00 1.25 -0.33 0.28 -1.18 0.00 0.00 179.01 179.03 3mix h VAL 326 N 0.39 0.32 -2.52 0.32 2.07 0.16 -3.44 116.25 113.55 3mix h VAL 326 Ca -0.08 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.25 3mix h VAL 326 Cb 1.48 0.32 0.09 0.00 -1.52 0.00 0.00 31.29 31.66 3mix h VAL 326 CO 0.17 0.00 0.10 0.47 0.02 0.00 0.00 177.57 178.33 3mix n ASP 327 N -5.49 -1.02 -0.81 0.57 8.00 -0.57 -4.98 116.55 112.25 3mix n ASP 327 Ca -0.13 -0.94 0.11 0.00 0.71 0.00 0.00 54.79 54.54 3mix n ASP 327 Cb 0.37 -0.47 0.30 0.00 -0.02 0.00 0.00 41.12 41.30 3mix n ASP 327 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3mix n GLU 328 N -2.82 2.07 -1.53 -1.24 0.00 -1.26 -4.85 120.64 111.01 3mix n GLU 328 Ca 0.07 -1.61 -0.36 0.00 0.00 0.00 0.00 57.16 55.27 3mix n GLU 328 Cb 0.27 -1.45 -0.09 0.00 0.00 0.00 0.00 31.44 30.18 3mix n GLU 328 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3mix n LEU 329 N 0.84 1.37 0.00 -1.84 4.77 -1.24 -4.62 117.00 116.27 3mix n LEU 329 Ca 0.17 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3mix n LEU 329 Cb 0.45 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 3mix n LEU 329 CO 0.14 -1.34 -0.13 2.29 -1.33 0.00 0.00 177.39 177.02 3mix n LYS 330 N 8.65 0.00 -1.85 3.23 0.00 -1.26 -4.84 118.16 122.08 3mix n LYS 330 Ca 0.50 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.49 3mix n LYS 330 Cb 0.33 -0.54 0.02 0.00 -0.00 0.00 0.00 35.03 34.84 3mix n LYS 330 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3mix s SER 331 N -3.58 5.97 0.35 -5.58 1.04 -1.26 -4.87 113.70 105.77 3mix s SER 331 Ca 0.00 1.54 0.12 0.00 0.48 0.00 0.00 55.95 58.09 3mix s SER 331 Cb 0.00 -2.49 0.93 0.00 0.10 0.00 0.00 66.02 64.56 3mix s SER 331 CO 0.00 -1.04 1.78 -0.65 0.98 0.00 0.00 173.24 174.30 3mix h PRO 332 N -0.23 0.55 -0.09 4.02 0.11 -2.00 -2.21 132.00 132.15 3mix h PRO 332 Ca -0.45 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 3mix h PRO 332 Cb 1.20 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3mix h PRO 332 CO 0.60 0.37 -0.62 0.93 -0.21 0.00 0.00 178.00 179.07 3mix h GLU 333 N 0.57 0.32 0.00 1.05 3.07 -2.03 -3.25 114.58 114.31 3mix h GLU 333 Ca 0.58 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 3mix h GLU 333 Cb 1.18 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 3mix h GLU 333 CO -0.34 0.84 -1.26 -1.13 -1.40 0.00 0.00 179.01 175.72 3mix n SER 334 N -3.88 0.54 0.16 1.42 3.41 -1.07 -4.04 113.62 110.16 3mix n SER 334 Ca -0.03 -0.01 0.01 0.00 -0.26 0.00 0.00 58.87 58.58 3mix n SER 334 Cb 0.63 0.99 0.29 0.00 -0.26 0.00 0.00 64.21 65.86 3mix n SER 334 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3mix h VAL 335 N 0.00 1.32 -0.85 -3.33 2.07 -1.44 -2.98 116.25 111.05 3mix h VAL 335 Ca 0.00 -1.54 0.18 0.00 0.82 0.00 0.00 66.70 66.16 3mix h VAL 335 Cb 0.87 1.81 -0.06 0.00 -1.52 0.00 0.00 31.29 32.39 3mix h VAL 335 CO 0.00 0.44 0.56 0.58 0.02 0.00 0.00 177.57 179.17 3mix h VAL 336 N 0.03 0.73 0.00 2.57 2.07 -1.70 -0.98 116.25 118.97 3mix h VAL 336 Ca -0.00 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 3mix h VAL 336 Cb 0.80 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3mix h VAL 336 CO 0.06 0.08 -0.14 1.56 0.02 0.00 0.00 177.57 179.15 3mix h GLN 337 N 0.42 0.00 -0.06 1.57 1.08 -1.77 0.31 115.11 116.66 3mix h GLN 337 Ca 0.43 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.65 3mix h GLN 337 Cb 1.03 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.46 3mix h GLN 337 CO -0.15 0.14 0.08 -0.07 -0.95 0.00 0.00 178.83 177.88 3mix h LEU 338 N 0.00 0.00 -8.21 1.46 3.38 -1.33 -3.38 115.31 107.22 3mix h LEU 338 Ca -0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 3mix h LEU 338 Cb 0.35 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.97 3mix h LEU 338 CO 0.02 0.00 0.81 -0.76 0.09 0.00 0.00 178.44 178.59 3mix s LEU 339 N -7.30 4.14 -0.33 1.67 1.43 0.11 -4.98 118.68 113.41 3mix s LEU 339 Ca -0.05 -1.10 -0.23 0.00 -1.03 0.00 0.00 54.13 51.73 3mix s LEU 339 Cb 0.14 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.91 3mix s LEU 339 CO 0.51 -1.47 0.75 -1.00 0.23 0.00 0.00 176.35 175.36 3mix s HIS 340 N 4.30 3.16 0.00 0.29 3.76 -1.26 -4.88 115.29 120.66 3mix s HIS 340 Ca 0.29 0.63 0.00 0.00 -0.15 0.00 0.00 55.06 55.83 3mix s HIS 340 Cb -0.11 -3.25 0.00 0.00 1.11 0.00 0.00 32.58 30.33 3mix s HIS 340 CO 0.06 -0.63 0.53 0.44 -0.85 0.00 0.00 174.74 174.29 3mix n ILE 341 N 5.62 0.16 -1.73 0.60 -6.64 -1.26 -4.61 119.36 111.50 3mix n ILE 341 Ca 0.02 -0.51 -0.42 0.00 -1.77 0.00 0.00 62.75 60.07 3mix n ILE 341 Cb 0.48 1.03 -0.01 0.00 -1.44 0.00 0.00 39.64 39.70 3mix n ILE 341 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 3mix n ASP 342 N -0.08 3.51 -0.20 7.28 9.92 -1.26 -4.85 116.55 130.87 3mix n ASP 342 Ca 0.00 1.17 0.00 0.00 -0.53 0.00 0.00 54.79 55.43 3mix n ASP 342 Cb 0.08 -1.56 0.25 0.00 -0.64 0.00 0.00 41.12 39.25 3mix n ASP 342 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 3mix h PRO 343 N 4.05 0.96 -3.32 -0.24 0.14 -1.94 -3.32 132.00 128.33 3mix h PRO 343 Ca -0.47 -0.07 -0.31 0.00 0.14 0.00 0.00 66.00 65.29 3mix h PRO 343 Cb 1.24 -0.21 -0.35 0.00 0.14 0.00 0.00 31.00 31.82 3mix h PRO 343 CO 0.74 0.65 -0.69 0.42 0.14 0.00 0.00 178.00 179.26 3mix s ILE 344 N -5.79 -0.11 -0.07 -3.56 1.01 -1.26 0.23 121.20 111.65 3mix s ILE 344 Ca -0.11 0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.87 3mix s ILE 344 Cb 0.18 -0.18 0.01 0.00 0.01 0.00 0.00 42.46 42.48 3mix s ILE 344 CO 0.78 0.12 -0.14 -1.61 0.00 0.00 0.00 174.94 174.10 3mix s GLU 345 N 1.65 1.82 -0.22 2.79 2.02 -0.30 -0.56 118.70 125.90 3mix s GLU 345 Ca -0.03 -0.47 -0.01 0.00 0.02 0.00 0.00 54.97 54.48 3mix s GLU 345 Cb -0.12 -1.49 0.01 0.00 0.10 0.00 0.00 34.13 32.63 3mix s GLU 345 CO -0.04 0.06 -0.10 0.12 0.02 0.00 0.00 175.26 175.32 3mix s PHE 346 N 0.57 2.95 -0.02 1.61 5.36 0.66 -0.09 117.98 129.01 3mix s PHE 346 Ca -0.14 -1.42 0.07 0.00 -0.96 0.00 0.00 56.93 54.48 3mix s PHE 346 Cb -0.15 -2.03 -0.02 0.00 -0.34 0.00 0.00 43.02 40.48 3mix s PHE 346 CO 0.04 -0.70 -0.22 -1.21 -1.46 0.00 0.00 175.22 171.67 3mix s GLU 347 N 1.36 2.23 0.03 10.12 2.02 0.49 -1.85 118.70 133.10 3mix s GLU 347 Ca 0.03 -0.86 -0.04 0.00 0.02 0.00 0.00 54.97 54.13 3mix s GLU 347 Cb -0.15 -2.16 -0.02 0.00 0.10 0.00 0.00 34.13 31.91 3mix s GLU 347 CO -0.07 0.58 0.05 -0.59 0.02 0.00 0.00 175.26 175.25 3mix s PHE 348 N -0.67 0.23 0.97 1.61 -0.71 -0.85 0.12 117.98 118.67 3mix s PHE 348 Ca 0.11 -0.51 -0.15 0.00 -1.04 0.00 0.00 56.93 55.33 3mix s PHE 348 Cb -0.10 -0.17 0.18 0.00 -1.21 0.00 0.00 43.02 41.72 3mix s PHE 348 CO -0.00 -0.30 1.22 0.20 -1.34 0.00 0.00 175.22 175.00 3mix s GLY 349 N -1.89 1.67 0.44 1.99 0.00 0.71 0.15 107.32 110.39 3mix s GLY 349 Ca -0.09 -0.91 0.21 0.00 0.00 0.00 0.00 44.72 43.94 3mix s GLY 349 CO -0.03 -0.21 1.91 0.10 0.00 0.00 0.00 173.10 174.87 3mix h TYR 350 N -1.69 0.00 0.00 1.90 -0.00 -1.78 -1.86 116.97 113.54 3mix h TYR 350 Ca -0.46 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.26 3mix h TYR 350 Cb 1.28 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.01 3mix h TYR 350 CO -0.76 0.25 -0.02 0.78 -0.00 0.00 0.00 178.16 178.41 3mix h GLY 351 N 1.29 0.00 -2.82 0.10 0.00 -1.23 -2.73 103.07 97.68 3mix h GLY 351 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3mix h GLY 351 CO 0.03 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.61 3mix n LEU 352 N -3.43 4.31 -0.24 3.11 4.77 -0.70 -4.41 117.00 120.41 3mix n LEU 352 Ca -0.03 -2.17 -0.07 0.00 -0.03 0.00 0.00 56.01 53.71 3mix n LEU 352 Cb 0.12 -0.55 0.04 0.00 -2.33 0.00 0.00 43.42 40.71 3mix n LEU 352 CO 0.25 0.74 0.98 0.40 -1.33 0.00 0.00 177.39 178.43 3mix h ILE 353 N 3.71 1.25 -0.85 -0.08 2.04 -1.62 -3.04 117.51 118.91 3mix h ILE 353 Ca 0.00 -0.85 0.08 0.00 1.00 0.00 0.00 64.86 65.09 3mix h ILE 353 Cb 1.32 0.52 -0.07 0.00 -0.74 0.00 0.00 36.82 37.85 3mix h ILE 353 CO 0.20 0.33 0.51 -0.65 0.00 0.00 0.00 178.15 178.54 3mix h PRO 354 N 0.98 0.86 0.00 2.37 0.11 -1.84 -1.64 132.00 132.84 3mix h PRO 354 Ca 0.22 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.15 3mix h PRO 354 Cb 0.28 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 3mix h PRO 354 CO -0.01 0.57 -0.61 1.37 -0.21 0.00 0.00 178.00 179.11 3mix h LEU 355 N 0.88 0.00 -0.33 2.35 -0.00 -1.84 -3.29 115.31 113.08 3mix h LEU 355 Ca 0.39 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 58.08 3mix h LEU 355 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.94 3mix h LEU 355 CO -0.22 0.61 -0.84 0.00 -0.00 0.00 0.00 178.44 178.00 3mix h ALA 356 N 1.39 0.56 0.00 0.17 0.00 -1.25 -2.21 119.26 117.92 3mix h ALA 356 Ca -0.01 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.20 3mix h ALA 356 Cb 1.10 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3mix h ALA 356 CO 0.08 0.88 -0.03 0.22 0.00 0.00 0.00 179.25 180.41 3mix h ASP 357 N 0.13 0.00 0.00 0.00 1.82 -1.41 -3.44 116.42 113.52 3mix h ASP 357 Ca -0.04 -0.90 0.00 0.00 -0.39 0.00 0.00 57.03 55.70 3mix h ASP 357 Cb 1.45 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.46 3mix h ASP 357 CO 0.13 0.97 0.00 0.00 -1.61 0.00 0.00 179.24 178.73 3mix n ALA 358 N -2.64 0.00 -0.01 -0.78 0.00 0.12 -4.75 120.51 112.45 3mix n ALA 358 Ca -0.10 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.40 3mix n ALA 358 Cb 0.44 -0.14 -0.09 0.00 0.00 0.00 0.00 19.45 19.67 3mix n ALA 358 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3mix n ASN 359 N -0.09 2.48 -2.47 0.00 0.23 -1.26 -4.29 115.26 109.86 3mix n ASN 359 Ca 0.00 0.00 -0.33 0.00 -0.53 0.00 0.00 54.58 53.72 3mix n ASN 359 Cb 0.05 1.48 0.04 0.00 -2.08 0.00 0.00 39.78 39.27 3mix n ASN 359 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3mix n GLN 360 N -1.90 3.02 0.00 -3.83 10.64 -1.26 -5.07 117.38 118.98 3mix n GLN 360 Ca -0.02 -3.74 0.00 0.00 -1.83 0.00 0.00 57.00 51.40 3mix n GLN 360 Cb 0.30 -2.28 0.00 0.00 -0.86 0.00 0.00 30.24 27.41 3mix n GLN 360 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3mix n GLY 361 N -0.69 0.20 0.05 2.61 0.00 -1.26 -4.91 105.19 101.19 3mix n GLY 361 Ca 0.52 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3mix n GLY 361 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mix n GLY 362 N 0.00 0.69 0.40 -0.02 0.00 -1.24 0.14 105.19 105.16 3mix n GLY 362 Ca 0.00 -1.19 0.12 0.00 0.00 0.00 0.00 46.02 44.94 3mix n GLY 362 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mix n ASP 363 N -0.02 1.65 0.01 1.61 8.00 -0.99 -3.78 116.55 123.02 3mix n ASP 363 Ca 0.00 -1.28 -0.10 0.00 0.71 0.00 0.00 54.79 54.12 3mix n ASP 363 Cb 0.00 0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 3mix n ASP 363 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3mix h LEU 364 N 1.95 -0.78 -0.14 0.64 5.85 -1.71 0.12 115.31 121.25 3mix h LEU 364 Ca 0.00 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3mix h LEU 364 Cb 0.66 0.34 -0.05 0.00 0.37 0.00 0.00 40.66 41.98 3mix h LEU 364 CO 0.00 -0.30 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.57 3mix h LEU 365 N -0.33 -0.47 -1.11 2.25 4.07 -1.84 0.97 115.31 118.86 3mix h LEU 365 Ca 0.09 0.09 -0.04 0.00 0.08 0.00 0.00 57.88 58.10 3mix h LEU 365 Cb 0.47 0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 3mix h LEU 365 CO -0.30 -0.20 0.14 0.44 -1.08 0.00 0.00 178.44 177.44 3mix h ASP 366 N -0.18 0.71 -0.15 -0.43 3.32 -1.81 -1.98 116.42 115.90 3mix h ASP 366 Ca 0.10 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 3mix h ASP 366 Cb 0.32 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3mix h ASP 366 CO -0.25 0.70 -0.13 0.03 -1.72 0.00 0.00 179.24 177.86 3mix h ARG 367 N 0.75 0.52 -0.41 3.56 3.08 0.15 -2.42 114.38 119.60 3mix h ARG 367 Ca 0.17 -0.16 -0.14 0.00 0.07 0.00 0.00 59.98 59.93 3mix h ARG 367 Cb 0.26 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3mix h ARG 367 CO -0.00 0.65 -0.28 0.82 -1.07 0.00 0.00 179.97 180.08 3mix h ILE 368 N 0.48 1.27 -0.45 2.04 2.04 -0.36 -2.11 117.51 120.42 3mix h ILE 368 Ca 0.09 -1.44 0.07 0.00 1.00 0.00 0.00 64.86 64.57 3mix h ILE 368 Cb 0.52 1.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 3mix h ILE 368 CO 0.03 0.49 0.12 0.58 0.00 0.00 0.00 178.15 179.37 3mix h VAL 369 N 0.74 0.80 -0.26 1.67 2.07 -1.22 -0.34 116.25 119.71 3mix h VAL 369 Ca 0.08 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.56 3mix h VAL 369 Cb 0.86 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 3mix h VAL 369 CO 0.08 0.05 -0.03 0.24 0.02 0.00 0.00 177.57 177.93 3mix h MET 370 N 0.27 0.04 -0.37 1.57 2.86 -1.31 -1.38 114.93 116.61 3mix h MET 370 Ca 0.22 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.90 3mix h MET 370 Cb 0.25 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 3mix h MET 370 CO -0.26 0.03 0.13 0.82 1.06 0.00 0.00 176.91 178.69 3mix h ILE 371 N 0.04 0.89 -0.90 -1.22 2.04 -0.81 0.32 117.51 117.86 3mix h ILE 371 Ca 0.13 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.90 3mix h ILE 371 Cb 0.18 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 3mix h ILE 371 CO -0.24 0.05 0.59 -0.09 0.00 0.00 0.00 178.15 178.46 3mix h ARG 372 N 0.28 1.20 -0.06 2.37 2.43 -0.74 -0.50 114.38 119.36 3mix h ARG 372 Ca 0.17 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3mix h ARG 372 Cb 0.15 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3mix h ARG 372 CO -0.18 0.80 -0.04 0.00 -1.51 0.00 0.00 179.97 179.05 3mix h ARG 373 N 1.23 0.13 -0.25 0.20 3.08 -0.80 -2.08 114.38 115.89 3mix h ARG 373 Ca 0.33 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.37 3mix h ARG 373 Cb -0.12 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 3mix h ARG 373 CO -0.07 0.53 -0.03 0.37 -1.07 0.00 0.00 179.97 179.70 3mix h GLN 374 N -0.28 0.03 0.00 0.04 4.15 -0.56 -2.62 115.11 115.87 3mix h GLN 374 Ca 0.01 -0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.28 3mix h GLN 374 Cb 0.49 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 3mix h GLN 374 CO 0.01 0.02 -0.72 -0.07 -1.93 0.00 0.00 178.83 176.15 3mix h LEU 375 N 0.04 0.00 -0.68 -2.39 3.38 -1.15 0.74 115.31 115.24 3mix h LEU 375 Ca 0.12 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3mix h LEU 375 Cb 0.17 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3mix h LEU 375 CO -0.23 0.72 0.44 0.00 0.09 0.00 0.00 178.44 179.46 3mix h ALA 376 N 1.28 0.87 0.07 1.53 0.00 -1.04 0.34 119.26 122.31 3mix h ALA 376 Ca -0.01 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 3mix h ALA 376 Cb 1.29 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3mix h ALA 376 CO 0.09 0.26 -1.08 -0.07 0.00 0.00 0.00 179.25 178.45 3mix h LEU 377 N 0.89 0.46 0.13 0.00 3.38 -1.05 0.59 115.31 119.71 3mix h LEU 377 Ca 0.26 -0.43 -0.30 0.00 0.09 0.00 0.00 57.88 57.51 3mix h LEU 377 Cb -0.07 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3mix h LEU 377 CO -0.07 1.27 -1.43 -0.08 0.09 0.00 0.00 178.44 178.22 3mix h GLU 378 N 0.14 0.27 0.00 1.13 4.81 -0.83 -3.40 114.58 116.70 3mix h GLU 378 Ca -0.10 -0.46 -0.13 0.00 -0.13 0.00 0.00 59.36 58.54 3mix h GLU 378 Cb 1.76 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 31.29 3mix h GLU 378 CO 0.18 1.16 -1.73 1.28 -0.73 0.00 0.00 179.01 179.17 3mix n LEU 379 N -3.49 0.00 0.00 1.64 4.77 0.12 -4.71 117.00 115.33 3mix n LEU 379 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3mix n LEU 379 Cb 1.04 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 42.30 3mix n LEU 379 CO 0.52 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 3mix n GLY 380 N 2.05 0.83 3.67 -0.72 0.00 0.20 -0.35 105.19 110.87 3mix n GLY 380 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 3mix n GLY 380 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mix s LEU 381 N 0.00 4.13 -0.44 0.99 2.96 -1.25 -4.74 118.68 120.33 3mix s LEU 381 Ca 0.00 0.14 -0.16 0.00 -0.22 0.00 0.00 54.13 53.88 3mix s LEU 381 Cb 0.00 -2.10 0.04 0.00 0.50 0.00 0.00 46.19 44.63 3mix s LEU 381 CO 0.00 0.09 0.41 -0.69 -1.32 0.00 0.00 176.35 174.84 3mix s VAL 382 N 0.89 5.14 0.44 1.68 1.01 -1.26 -2.46 120.40 125.84 3mix s VAL 382 Ca 0.08 -0.60 -0.24 0.00 0.00 0.00 0.00 61.98 61.21 3mix s VAL 382 Cb -0.13 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 32.12 3mix s VAL 382 CO 0.03 -0.47 1.23 0.27 0.00 0.00 0.00 175.10 176.17 3mix s ILE 383 N 1.96 2.84 1.04 2.22 -4.36 -1.26 -4.97 121.20 118.66 3mix s ILE 383 Ca 0.09 0.68 -0.15 0.00 -0.26 0.00 0.00 60.65 61.01 3mix s ILE 383 Cb -0.19 -3.37 0.21 0.00 1.25 0.00 0.00 42.46 40.35 3mix s ILE 383 CO 0.11 0.04 1.15 -2.16 0.24 0.00 0.00 174.94 174.32 3mix s PRO 384 N -2.49 0.09 0.11 0.37 0.04 -1.26 -4.97 135.00 126.89 3mix s PRO 384 Ca 0.61 0.08 -0.35 0.00 0.04 0.00 0.00 61.00 61.38 3mix s PRO 384 Cb -0.33 -1.74 -0.17 0.00 0.04 0.00 0.00 34.50 32.30 3mix s PRO 384 CO 0.41 -2.87 1.15 0.28 0.04 0.00 0.00 177.00 176.01 3mix n VAL 385 N -4.19 0.53 -3.38 -0.36 0.31 -1.26 -4.97 118.33 105.02 3mix n VAL 385 Ca 0.10 -0.13 -0.38 0.00 -0.01 0.00 0.00 64.34 63.92 3mix n VAL 385 Cb 0.59 -0.60 -0.06 0.00 -0.91 0.00 0.00 33.84 32.86 3mix n VAL 385 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3mix s VAL 386 N -0.02 5.20 -0.13 2.52 1.01 -1.26 -4.46 120.40 123.26 3mix s VAL 386 Ca 0.79 0.86 -0.22 0.00 0.00 0.00 0.00 61.98 63.42 3mix s VAL 386 Cb -0.97 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 31.61 3mix s VAL 386 CO 0.52 0.36 0.65 -0.60 0.00 0.00 0.00 175.10 176.04 3mix s ARG 387 N 0.43 4.33 -0.23 2.72 3.00 0.27 -4.96 118.95 124.51 3mix s ARG 387 Ca 0.24 0.73 -0.00 0.00 -1.00 0.00 0.00 55.73 55.70 3mix s ARG 387 Cb -0.15 -3.50 0.03 0.00 0.00 0.00 0.00 34.95 31.33 3mix s ARG 387 CO 0.09 -0.07 -0.10 0.42 0.00 0.00 0.00 175.30 175.64 3mix s ILE 388 N 1.29 2.57 -0.06 4.11 1.01 -1.26 -0.24 121.20 128.62 3mix s ILE 388 Ca 0.33 -1.10 0.02 0.00 0.00 0.00 0.00 60.65 59.89 3mix s ILE 388 Cb -0.16 -2.29 0.02 0.00 0.01 0.00 0.00 42.46 40.03 3mix s ILE 388 CO 0.14 0.24 -0.09 -0.13 0.00 0.00 0.00 174.94 175.09 3mix s ARG 389 N 1.28 1.37 0.37 2.79 0.52 -0.77 -5.02 118.95 119.49 3mix s ARG 389 Ca -0.00 -0.30 -0.27 0.00 -0.52 0.00 0.00 55.73 54.63 3mix s ARG 389 Cb -0.16 -1.19 -0.09 0.00 0.52 0.00 0.00 34.95 34.03 3mix s ARG 389 CO -0.07 -0.01 1.28 0.16 0.02 0.00 0.00 175.30 176.69 3mix s ASP 390 N 0.74 6.57 -0.18 0.23 -4.77 -1.26 -2.01 116.67 115.99 3mix s ASP 390 Ca -0.14 2.63 -0.02 0.00 -3.30 0.00 0.00 52.55 51.72 3mix s ASP 390 Cb -0.15 -2.64 0.05 0.00 -1.09 0.00 0.00 42.92 39.09 3mix s ASP 390 CO 0.02 -0.66 0.01 0.21 0.70 0.00 0.00 175.17 175.45 3mix s ASN 391 N -0.67 2.78 0.47 2.11 3.84 0.39 -4.82 114.94 119.04 3mix s ASN 391 Ca 0.53 -0.72 0.22 0.00 0.21 0.00 0.00 52.86 53.10 3mix s ASN 391 Cb -0.38 -0.67 1.17 0.00 -0.55 0.00 0.00 41.25 40.82 3mix s ASN 391 CO 0.49 -0.27 1.98 -0.29 -2.79 0.00 0.00 177.10 176.22 3mix h ILE 392 N 6.48 0.78 0.00 -5.21 2.10 -1.96 -2.26 117.51 117.43 3mix h ILE 392 Ca -0.18 -0.79 -0.00 0.00 1.08 0.00 0.00 64.86 64.97 3mix h ILE 392 Cb 1.12 1.48 -0.00 0.00 -1.09 0.00 0.00 36.82 38.32 3mix h ILE 392 CO 0.34 0.19 -0.02 0.00 -1.08 0.00 0.00 178.15 177.58 3mix h ALA 393 N 1.80 1.52 -2.35 0.18 0.00 -1.95 -3.44 119.26 115.03 3mix h ALA 393 Ca -0.00 -0.02 -0.50 0.00 0.00 0.00 0.00 54.91 54.39 3mix h ALA 393 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3mix h ALA 393 CO 0.03 0.03 0.03 -0.51 0.00 0.00 0.00 179.25 178.82 3mix s LEU 394 N -7.73 3.89 0.64 0.00 1.43 -0.85 -5.06 118.68 111.01 3mix s LEU 394 Ca -0.05 0.97 -0.18 0.00 -1.03 0.00 0.00 54.13 53.84 3mix s LEU 394 Cb 0.15 -3.83 -0.01 0.00 0.03 0.00 0.00 46.19 42.53 3mix s LEU 394 CO 0.56 -0.34 1.23 -1.10 0.23 0.00 0.00 176.35 176.93 3mix s GLN 395 N -3.83 2.66 0.26 1.70 -1.52 -1.26 -4.65 119.66 113.02 3mix s GLN 395 Ca 0.48 1.86 -0.12 0.00 -1.95 0.00 0.00 55.36 55.64 3mix s GLN 395 Cb -0.10 -1.88 0.36 0.00 -0.22 0.00 0.00 33.01 31.17 3mix s GLN 395 CO 0.32 -1.46 1.53 -2.30 -0.25 0.00 0.00 175.29 173.13 3mix n PRO 396 N -1.96 -0.15 -0.06 2.91 -0.01 -1.26 -0.58 135.00 133.90 3mix n PRO 396 Ca 0.14 1.53 0.11 0.00 -0.01 0.00 0.00 63.50 65.27 3mix n PRO 396 Cb 0.49 -2.28 0.43 0.00 -0.01 0.00 0.00 33.50 32.14 3mix n PRO 396 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58 3mix n ASN 397 N -5.54 1.37 -4.76 2.55 3.02 -1.26 -0.73 115.26 109.90 3mix n ASN 397 Ca 0.13 -1.62 -0.39 0.00 -0.03 0.00 0.00 54.58 52.67 3mix n ASN 397 Cb 0.45 -0.07 -0.05 0.00 -0.61 0.00 0.00 39.78 39.49 3mix n ASN 397 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3mix s GLU 398 N -1.85 4.38 0.24 3.52 2.56 0.26 -0.88 118.70 126.92 3mix s GLU 398 Ca 0.33 0.88 0.11 0.00 0.00 0.00 0.00 54.97 56.29 3mix s GLU 398 Cb 0.17 -3.33 -0.05 0.00 2.00 0.00 0.00 34.13 32.93 3mix s GLU 398 CO 0.27 0.39 -0.20 1.52 -0.56 0.00 0.00 175.26 176.68 3mix s TYR 399 N -0.33 2.16 -0.04 5.30 -0.85 0.33 -0.21 117.35 123.72 3mix s TYR 399 Ca 0.34 -0.38 -0.03 0.00 -0.52 0.00 0.00 57.07 56.47 3mix s TYR 399 Cb -0.20 -0.99 0.01 0.00 0.38 0.00 0.00 41.96 41.17 3mix s TYR 399 CO 0.20 0.58 0.10 0.50 -1.52 0.00 0.00 175.55 175.41 3mix s ARG 400 N -3.26 0.11 -0.10 -3.49 3.52 0.31 -0.73 118.95 115.31 3mix s ARG 400 Ca 0.25 0.16 0.03 0.00 -0.13 0.00 0.00 55.73 56.04 3mix s ARG 400 Cb -0.05 0.02 -0.01 0.00 -1.56 0.00 0.00 34.95 33.36 3mix s ARG 400 CO 0.12 -0.03 -0.21 -1.17 -0.81 0.00 0.00 175.30 173.19 3mix s LEU 401 N 0.19 2.27 0.02 -0.88 2.96 0.52 -0.38 118.68 123.39 3mix s LEU 401 Ca -0.01 -0.49 0.09 0.00 -0.22 0.00 0.00 54.13 53.50 3mix s LEU 401 Cb -0.02 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.18 3mix s LEU 401 CO -0.01 0.17 -0.26 -0.54 -1.32 0.00 0.00 176.35 174.40 3mix s LYS 402 N 0.27 1.88 -0.14 1.98 1.02 0.87 -0.62 119.74 124.99 3mix s LYS 402 Ca -0.15 -1.02 -0.00 0.00 0.02 0.00 0.00 55.97 54.82 3mix s LYS 402 Cb -0.17 -1.96 0.03 0.00 -0.52 0.00 0.00 37.83 35.22 3mix s LYS 402 CO 0.07 0.52 -0.09 0.42 -0.92 0.00 0.00 175.35 175.35 3mix s ILE 403 N -0.72 1.23 -1.48 2.17 1.01 0.20 -1.15 121.20 122.46 3mix s ILE 403 Ca 0.11 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.18 3mix s ILE 403 Cb -0.10 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.12 3mix s ILE 403 CO 0.01 0.31 0.85 1.17 0.00 0.00 0.00 174.94 177.28 3mix n LYS 404 N 4.86 -6.18 0.00 2.79 3.00 0.14 -2.12 118.16 120.65 3mix n LYS 404 Ca -0.14 0.88 0.00 0.00 -0.00 0.00 0.00 58.31 59.05 3mix n LYS 404 Cb 0.49 -5.82 0.00 0.00 0.00 0.00 0.00 35.03 29.70 3mix n LYS 404 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3mix n GLY 405 N -1.73 1.69 3.60 3.14 0.00 -1.26 -5.04 105.19 105.59 3mix n GLY 405 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 3mix n GLY 405 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mix s ASN 406 N -2.12 4.89 0.08 1.61 0.01 -0.90 -5.06 114.94 113.45 3mix s ASN 406 Ca 0.00 0.01 -0.31 0.00 -0.71 0.00 0.00 52.86 51.85 3mix s ASN 406 Cb 0.00 -1.42 -0.08 0.00 0.41 0.00 0.00 41.25 40.16 3mix s ASN 406 CO 0.00 0.32 1.55 -0.70 -1.51 0.00 0.00 177.10 176.76 3mix s GLU 407 N -0.57 4.23 -0.00 -0.60 2.12 -1.26 -0.63 118.70 122.00 3mix s GLU 407 Ca 0.09 2.23 0.01 0.00 0.36 0.00 0.00 54.97 57.67 3mix s GLU 407 Cb -0.12 -3.45 -0.02 0.00 0.26 0.00 0.00 34.13 30.81 3mix s GLU 407 CO 0.02 -0.63 0.05 1.33 -0.54 0.00 0.00 175.26 175.49 3mix n VAL 408 N 4.43 0.00 -3.57 3.70 0.24 0.20 -4.93 118.33 118.41 3mix n VAL 408 Ca 0.14 -0.34 -0.15 0.00 -2.04 0.00 0.00 64.34 61.94 3mix n VAL 408 Cb 0.41 0.85 -0.06 0.00 -1.47 0.00 0.00 33.84 33.57 3mix n VAL 408 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mix s ALA 409 N -1.40 -1.80 0.05 2.33 0.00 -1.12 -5.00 121.76 114.82 3mix s ALA 409 Ca 0.00 1.61 -0.03 0.00 0.00 0.00 0.00 51.96 53.54 3mix s ALA 409 Cb 0.01 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 3mix s ALA 409 CO 0.06 -0.35 0.04 -1.59 0.00 0.00 0.00 175.76 173.92 3mix s LYS 410 N -0.58 0.63 0.10 0.00 -2.85 -1.26 -0.35 119.74 115.42 3mix s LYS 410 Ca -0.06 -1.03 -0.08 0.00 -1.00 0.00 0.00 55.97 53.80 3mix s LYS 410 Cb -0.02 0.23 0.03 0.00 -2.06 0.00 0.00 37.83 36.01 3mix s LYS 410 CO 0.05 -0.14 0.39 0.41 0.10 0.00 0.00 175.35 176.16 3mix n GLY 411 N 0.32 1.18 2.94 0.59 0.00 0.09 -4.98 105.19 105.32 3mix n GLY 411 Ca -0.16 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 3mix n GLY 411 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mix s GLU 412 N -2.03 0.08 0.01 1.61 1.03 -1.26 -0.51 118.70 117.64 3mix s GLU 412 Ca 0.09 0.12 0.05 0.00 0.03 0.00 0.00 54.97 55.26 3mix s GLU 412 Cb -0.01 0.02 -0.02 0.00 -0.80 0.00 0.00 34.13 33.32 3mix s GLU 412 CO 0.03 -0.02 -0.17 -0.51 -1.33 0.00 0.00 175.26 173.26 3mix s LEU 413 N 0.12 2.10 -0.46 1.83 1.43 -0.06 -4.98 118.68 118.65 3mix s LEU 413 Ca -0.01 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 3mix s LEU 413 Cb -0.01 -0.81 0.12 0.00 0.03 0.00 0.00 46.19 45.52 3mix s LEU 413 CO -0.00 0.15 0.25 -0.76 0.23 0.00 0.00 176.35 176.21 3mix s LEU 414 N -0.76 5.10 0.43 1.79 1.43 -1.26 -4.69 118.68 120.71 3mix s LEU 414 Ca 0.05 -2.34 0.10 0.00 -1.03 0.00 0.00 54.13 50.91 3mix s LEU 414 Cb -0.07 -1.79 0.95 0.00 0.03 0.00 0.00 46.19 45.31 3mix s LEU 414 CO 0.00 -0.45 2.03 -0.07 0.23 0.00 0.00 176.35 178.10 3mix h LEU 415 N 7.60 0.41 -0.42 1.79 4.07 -1.98 0.79 115.31 127.56 3mix h LEU 415 Ca -0.08 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.87 3mix h LEU 415 Cb 1.01 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.65 3mix h LEU 415 CO 0.68 0.28 0.00 0.47 -1.08 0.00 0.00 178.44 178.78 3mix n ASP 416 N -4.48 0.63 -2.79 -0.43 9.92 -1.26 -4.80 116.55 113.34 3mix n ASP 416 Ca 0.05 -1.76 -0.09 0.00 -0.53 0.00 0.00 54.79 52.45 3mix n ASP 416 Cb 0.18 -0.06 -0.02 0.00 -0.64 0.00 0.00 41.12 40.58 3mix n ASP 416 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 3mix n HIS 417 N -0.27 0.29 -3.87 1.24 8.25 0.27 -5.16 115.22 115.97 3mix n HIS 417 Ca 0.09 -0.73 -0.11 0.00 -0.26 0.00 0.00 57.72 56.72 3mix n HIS 417 Cb 0.13 -0.10 -0.09 0.00 1.12 0.00 0.00 29.99 31.05 3mix n HIS 417 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3mix s TYR 418 N -1.51 0.08 -0.21 4.41 2.02 -1.26 -4.36 117.35 116.52 3mix s TYR 418 Ca 0.00 -0.26 -0.04 0.00 -0.37 0.00 0.00 57.07 56.40 3mix s TYR 418 Cb -0.00 -0.06 -0.02 0.00 -0.40 0.00 0.00 41.96 41.48 3mix s TYR 418 CO 0.00 -0.36 -0.02 -1.17 -1.57 0.00 0.00 175.55 172.43 3mix s LEU 419 N -1.81 3.08 0.07 -1.29 2.96 0.14 -4.93 118.68 116.90 3mix s LEU 419 Ca -0.09 -0.29 -0.12 0.00 -0.22 0.00 0.00 54.13 53.41 3mix s LEU 419 Cb -0.04 -1.78 -0.06 0.00 0.50 0.00 0.00 46.19 44.81 3mix s LEU 419 CO -0.02 0.03 0.42 0.00 -1.32 0.00 0.00 176.35 175.46 3mix s ALA 420 N 1.20 3.70 0.00 5.97 0.00 -1.26 -1.06 121.76 130.31 3mix s ALA 420 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.68 3mix s ALA 420 Cb -0.14 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.64 3mix s ALA 420 CO 0.00 0.53 0.00 -2.37 0.00 0.00 0.00 175.76 173.92 3mix n THR 461 N 1.12 0.00 -4.61 0.00 5.66 -1.26 -5.06 114.28 110.13 3mix n THR 461 Ca -0.09 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.58 3mix n THR 461 Cb 0.52 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.14 3mix n THR 461 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3mix s VAL 462 N 0.00 2.42 -0.08 1.08 1.01 -1.26 -5.11 120.40 118.45 3mix s VAL 462 Ca 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.15 3mix s VAL 462 Cb 0.00 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.39 3mix s VAL 462 CO 0.00 0.53 -0.15 -0.69 0.00 0.00 0.00 175.10 174.79 3mix s VAL 463 N 0.79 1.36 0.64 2.92 1.01 -0.22 -4.95 120.40 121.96 3mix s VAL 463 Ca -0.07 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 3mix s VAL 463 Cb -0.15 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3mix s VAL 463 CO -0.00 0.41 1.05 1.51 0.00 0.00 0.00 175.10 178.06 3mix s ASP 464 N 0.66 5.72 0.24 3.32 -4.77 -1.26 -0.68 116.67 119.89 3mix s ASP 464 Ca -0.14 1.63 -0.05 0.00 -3.30 0.00 0.00 52.55 50.69 3mix s ASP 464 Cb -0.16 -2.50 0.25 0.00 -1.09 0.00 0.00 42.92 39.42 3mix s ASP 464 CO 0.04 -1.21 1.80 -0.65 0.70 0.00 0.00 175.17 175.85 3mix h PRO 465 N -0.22 1.06 -0.33 2.11 0.11 -1.87 -1.64 132.00 131.21 3mix h PRO 465 Ca -0.45 -0.20 -0.02 0.00 0.11 0.00 0.00 66.00 65.44 3mix h PRO 465 Cb 1.21 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3mix h PRO 465 CO 0.58 0.89 0.10 0.00 -0.21 0.00 0.00 178.00 179.36 3mix h ALA 466 N 1.24 1.56 -0.30 -0.75 0.00 -1.95 -1.08 119.26 117.99 3mix h ALA 466 Ca 0.23 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 3mix h ALA 466 Cb 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3mix h ALA 466 CO -0.01 0.34 -0.52 0.77 0.00 0.00 0.00 179.25 179.82 3mix h SER 467 N 0.47 0.97 -0.21 0.00 0.02 -1.71 -1.38 113.55 111.71 3mix h SER 467 Ca 0.12 -0.53 0.04 0.00 -0.84 0.00 0.00 61.79 60.57 3mix h SER 467 Cb 0.15 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 3mix h SER 467 CO -0.01 1.31 0.00 0.58 -1.14 0.00 0.00 176.83 177.58 3mix h VAL 468 N 0.66 0.85 -0.14 2.27 2.07 -0.50 -1.36 116.25 120.10 3mix h VAL 468 Ca 0.02 -0.02 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 3mix h VAL 468 Cb 1.13 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3mix h VAL 468 CO 0.12 0.01 -0.41 1.62 0.02 0.00 0.00 177.57 178.93 3mix h VAL 469 N 0.07 1.31 0.14 2.57 3.04 -1.24 -1.24 116.25 120.90 3mix h VAL 469 Ca 0.10 -1.54 -0.01 0.00 -1.01 0.00 0.00 66.70 64.25 3mix h VAL 469 Cb 0.13 1.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.06 3mix h VAL 469 CO -0.17 0.47 -0.07 0.28 -1.01 0.00 0.00 177.57 177.07 3mix h SER 470 N 0.26 -0.16 0.40 3.17 0.02 -0.94 0.72 113.55 117.02 3mix h SER 470 Ca 0.02 -0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 60.78 3mix h SER 470 Cb 0.84 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 3mix h SER 470 CO 0.07 -0.09 -0.74 0.71 -1.14 0.00 0.00 176.83 175.63 3mix h THR 471 N -0.21 1.42 -0.65 -2.27 1.35 -1.20 -1.40 112.91 109.96 3mix h THR 471 Ca -0.02 -2.25 0.02 0.00 -0.55 0.00 0.00 66.41 63.61 3mix h THR 471 Cb 0.16 2.20 -0.04 0.00 -1.73 0.00 0.00 68.15 68.75 3mix h THR 471 CO 0.03 0.67 0.41 -0.74 -0.25 0.00 0.00 175.52 175.63 3mix h HIS 472 N 0.19 0.76 -0.12 4.73 6.17 -1.12 -0.23 115.15 125.54 3mix h HIS 472 Ca -0.03 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.06 3mix h HIS 472 Cb 1.32 -0.25 -0.00 0.00 2.52 0.00 0.00 27.41 30.99 3mix h HIS 472 CO 0.03 0.45 0.01 0.82 0.71 0.00 0.00 177.93 179.95 3mix h ILE 473 N 0.81 1.23 -0.73 6.26 2.04 -0.75 -1.85 117.51 124.52 3mix h ILE 473 Ca 0.25 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 3mix h ILE 473 Cb -0.01 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 3mix h ILE 473 CO -0.09 0.22 0.39 0.00 0.00 0.00 0.00 178.15 178.67 3mix h THR 474 N -0.05 1.22 -0.57 -0.27 1.03 -1.14 0.12 112.91 113.25 3mix h THR 474 Ca 0.03 -0.57 -0.06 0.00 -0.01 0.00 0.00 66.41 65.80 3mix h THR 474 Cb 0.32 0.27 -0.02 0.00 -1.07 0.00 0.00 68.15 67.65 3mix h THR 474 CO 0.00 0.25 0.10 -0.33 -0.01 0.00 0.00 175.52 175.53 3mix h GLU 475 N 1.00 0.91 -0.20 0.00 4.39 -1.06 -1.49 114.58 118.14 3mix h GLU 475 Ca 0.26 -0.22 -0.19 0.00 0.34 0.00 0.00 59.36 59.55 3mix h GLU 475 Cb 0.05 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3mix h GLU 475 CO -0.04 0.84 -0.63 0.87 -1.16 0.00 0.00 179.01 178.90 3mix h LYS 476 N 0.87 0.70 -0.71 2.33 6.56 -0.80 -1.82 116.57 123.70 3mix h LYS 476 Ca 0.18 -0.49 -0.04 0.00 -1.06 0.00 0.00 60.65 59.24 3mix h LYS 476 Cb 0.37 0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 32.08 3mix h LYS 476 CO 0.01 1.11 0.28 0.82 -2.06 0.00 0.00 179.45 179.60 3mix h ILE 477 N 0.52 1.24 -0.72 1.86 2.04 -0.92 -2.27 117.51 119.26 3mix h ILE 477 Ca -0.01 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.04 3mix h ILE 477 Cb 1.22 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 3mix h ILE 477 CO 0.13 0.31 0.26 0.11 0.00 0.00 0.00 178.15 178.95 3mix h LYS 478 N 1.02 1.10 0.00 2.37 1.57 -1.10 0.46 116.57 121.99 3mix h LYS 478 Ca 0.24 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3mix h LYS 478 Cb 0.20 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3mix h LYS 478 CO -0.02 0.92 -0.19 0.37 -0.57 0.00 0.00 179.45 179.96 3mix h GLN 479 N 1.05 0.00 -0.05 3.15 4.15 -0.99 -3.16 115.11 119.26 3mix h GLN 479 Ca 0.24 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.66 3mix h GLN 479 Cb 0.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.94 3mix h GLN 479 CO -0.01 0.19 0.00 0.72 -1.93 0.00 0.00 178.83 177.80 3mix n HIS 480 N -3.58 0.11 -0.22 3.99 8.25 -0.83 -4.78 115.22 118.17 3mix n HIS 480 Ca -0.01 -0.67 0.16 0.00 -0.26 0.00 0.00 57.72 56.95 3mix n HIS 480 Cb 0.33 -0.09 0.48 0.00 1.12 0.00 0.00 29.99 31.83 3mix n HIS 480 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mix h ALA 481 N 0.34 2.10 0.00 -1.41 0.00 -0.06 0.14 119.26 120.37 3mix h ALA 481 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3mix h ALA 481 Cb 0.73 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3mix h ALA 481 CO 0.01 -0.35 -0.15 1.12 0.00 0.00 0.00 179.25 179.88 3mix h HIS 482 N 0.46 0.00 0.00 0.00 2.07 -1.84 -0.74 115.15 115.10 3mix h HIS 482 Ca 0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.95 3mix h HIS 482 Cb 0.97 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.95 3mix h HIS 482 CO -0.00 0.15 0.00 0.93 -3.07 0.00 0.00 177.93 175.94 3mix h GLU 483 N 0.00 0.00 -0.00 5.12 5.08 -1.07 -3.34 114.58 120.37 3mix h GLU 483 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mix h GLU 483 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3mix h GLU 483 CO 0.02 0.00 -0.75 1.28 -1.00 0.00 0.00 179.01 178.56 3mix n LEU 484 N -2.40 0.94 -3.83 1.33 4.77 -0.31 -4.64 117.00 112.86 3mix n LEU 484 Ca 0.05 -0.54 -0.42 0.00 -0.03 0.00 0.00 56.01 55.07 3mix n LEU 484 Cb 0.41 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3mix n LEU 484 CO 0.29 0.22 2.56 0.00 -1.33 0.00 0.00 177.39 179.13 3mix n ILE 485 N -1.22 3.40 -0.84 -0.08 0.13 -1.08 -4.84 119.36 114.83 3mix n ILE 485 Ca 0.04 -3.05 -0.01 0.00 -1.10 0.00 0.00 62.75 58.63 3mix n ILE 485 Cb 0.28 -2.56 0.00 0.00 -0.84 0.00 0.00 39.64 36.53 3mix n ILE 485 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3mix n GLY 486 N 4.30 -1.59 0.28 4.50 0.00 -1.26 -4.76 105.19 106.65 3mix n GLY 486 Ca 0.51 -1.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 3mix n GLY 486 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3mix h ARG 487 N 0.00 0.98 -0.36 1.61 2.43 -1.97 -0.56 114.38 116.51 3mix h ARG 487 Ca -0.01 -0.44 0.04 0.00 -0.81 0.00 0.00 59.98 58.76 3mix h ARG 487 Cb 0.02 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 3mix h ARG 487 CO 0.01 1.11 0.14 1.96 -1.51 0.00 0.00 179.97 181.68 3mix h GLN 488 N 0.82 0.29 -0.37 0.20 4.20 -1.96 0.59 115.11 118.89 3mix h GLN 488 Ca 0.10 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.64 3mix h GLN 488 Cb 0.84 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 3mix h GLN 488 CO 0.07 0.19 -0.35 0.93 -0.67 0.00 0.00 178.83 179.00 3mix h GLU 489 N 0.30 0.84 -0.37 1.46 3.07 -1.83 -1.81 114.58 116.25 3mix h GLU 489 Ca 0.16 -0.42 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 3mix h GLU 489 Cb 0.12 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 3mix h GLU 489 CO -0.15 1.06 0.24 1.15 -1.40 0.00 0.00 179.01 179.91 3mix h THR 490 N 0.70 1.10 -0.76 1.13 2.02 -0.80 -1.98 112.91 114.32 3mix h THR 490 Ca 0.07 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 3mix h THR 490 Cb 0.92 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 3mix h THR 490 CO 0.08 0.10 0.38 0.11 0.37 0.00 0.00 175.52 176.57 3mix h LYS 491 N 0.50 1.08 -0.60 6.66 1.57 -0.77 -0.74 116.57 124.27 3mix h LYS 491 Ca 0.14 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mix h LYS 491 Cb -0.05 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.03 3mix h LYS 491 CO -0.03 0.82 0.39 0.37 -0.57 0.00 0.00 179.45 180.43 3mix h GLN 492 N 1.08 0.80 -0.51 3.15 4.15 -0.99 0.72 115.11 123.51 3mix h GLN 492 Ca 0.27 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.53 3mix h GLN 492 Cb 0.08 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 3mix h GLN 492 CO -0.04 0.55 -0.06 -0.07 -1.93 0.00 0.00 178.83 177.28 3mix h LEU 493 N 0.81 0.93 -0.27 -2.39 3.38 -0.88 -0.98 115.31 115.92 3mix h LEU 493 Ca 0.22 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3mix h LEU 493 Cb -0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3mix h LEU 493 CO -0.05 1.05 0.05 0.40 0.09 0.00 0.00 178.44 179.98 3mix h ILE 494 N 0.80 1.23 -0.75 1.22 2.04 -0.99 -0.06 117.51 121.00 3mix h ILE 494 Ca 0.14 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 3mix h ILE 494 Cb 0.61 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 3mix h ILE 494 CO 0.04 0.25 0.29 0.44 0.00 0.00 0.00 178.15 179.16 3mix h ASP 495 N 0.26 1.04 -0.54 1.72 3.32 -0.76 0.90 116.42 122.36 3mix h ASP 495 Ca 0.08 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3mix h ASP 495 Cb 0.32 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3mix h ASP 495 CO 0.00 0.94 0.32 -0.74 -1.72 0.00 0.00 179.24 178.04 3mix h HIS 496 N 1.08 0.73 -0.36 4.55 2.76 -1.03 -2.50 115.15 120.38 3mix h HIS 496 Ca 0.25 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.35 3mix h HIS 496 Cb 0.23 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.94 3mix h HIS 496 CO 0.02 0.51 -0.01 1.25 -1.30 0.00 0.00 177.93 178.40 3mix h LEU 497 N 0.73 0.53 -1.46 0.26 5.85 -0.54 -2.82 115.31 117.87 3mix h LEU 497 Ca 0.19 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3mix h LEU 497 Cb 0.01 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3mix h LEU 497 CO -0.03 0.61 -0.12 0.50 -0.34 0.00 0.00 178.44 179.06 3mix h LYS 498 N 0.54 0.21 -0.64 1.25 3.64 -0.39 0.35 116.57 121.53 3mix h LYS 498 Ca 0.11 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 3mix h LYS 498 Cb 0.37 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 3mix h LYS 498 CO 0.01 0.34 0.42 0.93 -2.27 0.00 0.00 179.45 178.88 3mix h GLU 499 N 0.20 0.73 0.00 1.90 5.08 -1.29 -2.63 114.58 118.57 3mix h GLU 499 Ca 0.04 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3mix h GLU 499 Cb 0.34 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3mix h GLU 499 CO 0.02 0.48 -1.71 -1.13 -1.00 0.00 0.00 179.01 175.67 3mix n SER 500 N -4.46 2.13 -2.94 1.42 3.41 -1.02 -4.78 113.62 107.38 3mix n SER 500 Ca 0.08 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.46 3mix n SER 500 Cb 0.14 1.09 -0.03 0.00 -0.26 0.00 0.00 64.21 65.15 3mix n SER 500 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3mix n TYR 501 N -2.24 2.53 0.09 7.33 4.02 0.12 -4.93 117.16 124.08 3mix n TYR 501 Ca -0.13 -3.74 0.00 0.00 -0.01 0.00 0.00 57.90 54.03 3mix n TYR 501 Cb 0.67 -0.41 0.31 0.00 -0.02 0.00 0.00 39.34 39.88 3mix n TYR 501 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3mix h PRO 502 N 2.94 0.29 -0.29 -0.72 0.13 -1.65 -1.27 132.00 131.43 3mix h PRO 502 Ca 0.12 -0.09 -0.09 0.00 -0.87 0.00 0.00 66.00 65.08 3mix h PRO 502 Cb 0.75 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 3mix h PRO 502 CO 0.70 0.50 -0.16 0.28 -0.23 0.00 0.00 178.00 179.09 3mix h VAL 503 N 0.26 1.30 -0.19 1.56 2.07 -1.91 -1.17 116.25 118.16 3mix h VAL 503 Ca 0.04 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 3mix h VAL 503 Cb 0.55 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3mix h VAL 503 CO 0.04 0.40 0.10 0.25 0.02 0.00 0.00 177.57 178.38 3mix h LEU 504 N 0.36 0.24 -0.56 2.57 5.85 -1.92 -1.66 115.31 120.20 3mix h LEU 504 Ca 0.06 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3mix h LEU 504 Cb 0.69 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 3mix h LEU 504 CO 0.05 0.27 0.37 0.58 -0.34 0.00 0.00 178.44 179.36 3mix h VAL 505 N 0.20 1.15 0.00 1.05 2.07 -1.16 -2.64 116.25 116.91 3mix h VAL 505 Ca 0.07 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 3mix h VAL 505 Cb 0.08 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3mix h VAL 505 CO -0.01 0.14 -0.29 -0.08 0.02 0.00 0.00 177.57 177.35 3mix h GLU 506 N 0.76 0.00 0.00 1.57 4.22 -1.04 -0.05 114.58 120.04 3mix h GLU 506 Ca 0.20 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.55 3mix h GLU 506 Cb -0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3mix h GLU 506 CO -0.04 0.29 -0.43 1.49 -2.18 0.00 0.00 179.01 178.14 3mix h GLU 507 N 0.00 0.00 0.12 1.92 4.81 -0.96 -3.32 114.58 117.15 3mix h GLU 507 Ca -0.00 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.86 3mix h GLU 507 Cb 0.55 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 3mix h GLU 507 CO 0.04 0.43 -1.99 0.28 -0.73 0.00 0.00 179.01 177.04 3mix n VAL 508 N -3.82 1.77 -3.79 0.32 0.31 -0.19 -4.21 118.33 108.72 3mix n VAL 508 Ca -0.01 -0.63 -0.13 0.00 -0.01 0.00 0.00 64.34 63.56 3mix n VAL 508 Cb 0.49 -1.74 -0.10 0.00 -0.91 0.00 0.00 33.84 31.58 3mix n VAL 508 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3mix s THR 509 N -2.55 0.03 -2.00 2.52 -1.32 -0.30 -1.31 115.64 110.70 3mix s THR 509 Ca -0.23 -0.24 0.30 0.00 -1.21 0.00 0.00 61.69 60.31 3mix s THR 509 Cb 0.07 -0.45 0.85 0.00 -1.51 0.00 0.00 72.50 71.46 3mix s THR 509 CO 0.76 -0.13 2.13 -0.81 -2.21 0.00 0.00 174.62 174.35 3mix n PRO 510 N 2.26 0.95 -4.22 7.08 -0.04 -1.26 -4.35 135.00 135.42 3mix n PRO 510 Ca -0.17 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.04 3mix n PRO 510 Cb 0.57 -1.49 -0.17 0.00 -0.04 0.00 0.00 33.50 32.37 3mix n PRO 510 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3mix s ASN 511 N -1.98 1.83 0.22 3.54 2.47 -1.26 -3.48 114.94 116.28 3mix s ASN 511 Ca 0.45 -0.27 0.25 0.00 0.42 0.00 0.00 52.86 53.71 3mix s ASN 511 Cb 0.21 -0.77 0.56 0.00 -1.45 0.00 0.00 41.25 39.79 3mix s ASN 511 CO 0.35 -0.05 1.58 1.55 -3.72 0.00 0.00 177.10 176.81 3mix h PRO 512 N 7.55 0.00 -5.19 0.43 0.13 -1.68 -3.39 132.00 129.84 3mix h PRO 512 Ca -0.31 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.19 3mix h PRO 512 Cb 1.16 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.08 3mix h PRO 512 CO 0.44 0.00 -0.63 -0.51 -0.23 0.00 0.00 178.00 177.07 3mix s LEU 513 N -4.78 3.44 0.78 1.56 1.43 -0.43 -5.00 118.68 115.69 3mix s LEU 513 Ca 0.08 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 3mix s LEU 513 Cb 0.11 -1.87 0.06 0.00 0.03 0.00 0.00 46.19 44.53 3mix s LEU 513 CO 0.65 0.11 1.08 -0.94 0.23 0.00 0.00 176.35 177.49 3mix s SER 514 N 0.74 4.53 0.30 2.29 1.04 -1.23 -4.06 113.70 117.31 3mix s SER 514 Ca 0.01 1.54 0.05 0.00 0.48 0.00 0.00 55.95 58.03 3mix s SER 514 Cb -0.14 -2.29 0.72 0.00 0.10 0.00 0.00 66.02 64.41 3mix s SER 514 CO 0.02 -1.98 1.77 0.58 0.98 0.00 0.00 173.24 174.62 3mix h VAL 515 N -1.09 0.71 -0.80 5.02 2.07 -1.97 -2.13 116.25 118.05 3mix h VAL 515 Ca -0.46 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.76 3mix h VAL 515 Cb 1.25 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3mix h VAL 515 CO 0.56 0.14 0.31 1.23 0.02 0.00 0.00 177.57 179.83 3mix h GLY 516 N 0.75 1.28 0.99 2.17 0.00 -1.99 0.06 103.07 106.34 3mix h GLY 516 Ca 0.57 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 3mix h GLY 516 CO -0.38 0.67 0.28 -0.55 0.00 0.00 0.00 176.54 176.55 3mix h ASP 517 N 1.16 0.55 -0.26 0.19 3.32 -1.76 -2.44 116.42 117.17 3mix h ASP 517 Ca 0.26 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 3mix h ASP 517 Cb 0.23 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3mix h ASP 517 CO -0.02 0.43 0.08 0.40 -1.72 0.00 0.00 179.24 178.41 3mix h ILE 518 N 0.61 1.20 -0.66 0.35 2.04 -0.98 -2.72 117.51 117.35 3mix h ILE 518 Ca 0.16 -0.66 0.14 0.00 1.00 0.00 0.00 64.86 65.51 3mix h ILE 518 Cb -0.01 1.14 -0.12 0.00 -0.74 0.00 0.00 36.82 37.08 3mix h ILE 518 CO -0.03 0.21 -0.07 -0.61 0.00 0.00 0.00 178.15 177.66 3mix h GLN 519 N 0.26 0.06 -0.85 2.37 4.15 -0.92 -0.17 115.11 120.00 3mix h GLN 519 Ca 0.08 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 3mix h GLN 519 Cb 0.26 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.89 3mix h GLN 519 CO -0.00 0.04 0.50 0.87 -1.93 0.00 0.00 178.83 178.31 3mix h LYS 520 N 0.06 1.17 -0.16 1.69 1.57 -1.30 0.35 116.57 119.94 3mix h LYS 520 Ca 0.34 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3mix h LYS 520 Cb 0.55 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3mix h LYS 520 CO -0.62 0.83 0.09 0.28 -0.57 0.00 0.00 179.45 179.46 3mix h VAL 521 N 1.17 1.11 -0.98 0.50 2.07 -1.03 -0.78 116.25 118.30 3mix h VAL 521 Ca 0.30 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3mix h VAL 521 Cb -0.02 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 3mix h VAL 521 CO -0.05 0.10 0.64 -0.07 0.02 0.00 0.00 177.57 178.21 3mix h LEU 522 N 0.16 1.13 -0.63 2.57 3.38 -0.87 -0.32 115.31 120.73 3mix h LEU 522 Ca 0.06 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3mix h LEU 522 Cb 0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3mix h LEU 522 CO -0.01 0.82 -0.07 0.00 0.09 0.00 0.00 178.44 179.28 3mix h ALA 523 N 1.36 0.83 -0.43 1.53 0.00 -0.78 -0.98 119.26 120.79 3mix h ALA 523 Ca 0.36 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3mix h ALA 523 Cb -0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3mix h ALA 523 CO -0.08 0.66 -0.15 -0.22 0.00 0.00 0.00 179.25 179.47 3mix h LYS 524 N 0.91 0.79 0.36 0.00 3.64 -0.61 0.06 116.57 121.72 3mix h LYS 524 Ca 0.15 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 3mix h LYS 524 Cb 0.62 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3mix h LYS 524 CO 0.04 0.89 -0.18 -0.07 -2.27 0.00 0.00 179.45 177.87 3mix h LEU 525 N 0.71 -0.42 -1.19 5.20 3.38 -0.89 -3.11 115.31 118.99 3mix h LEU 525 Ca 0.11 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.12 3mix h LEU 525 Cb 0.64 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 3mix h LEU 525 CO 0.04 -0.30 0.55 -0.07 0.09 0.00 0.00 178.44 178.76 3mix h LEU 526 N -0.49 0.93 -0.83 1.67 3.38 -1.01 -0.49 115.31 118.48 3mix h LEU 526 Ca -0.05 -0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.04 3mix h LEU 526 Cb 0.38 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.81 3mix h LEU 526 CO 0.08 0.66 0.43 0.50 0.09 0.00 0.00 178.44 180.20 3mix h LYS 527 N 1.09 0.62 -0.63 1.13 3.64 -0.95 0.47 116.57 121.94 3mix h LYS 527 Ca 0.32 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3mix h LYS 527 Cb -0.06 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 3mix h LYS 527 CO -0.08 0.41 0.00 0.39 -2.27 0.00 0.00 179.45 177.90 3mix n GLU 528 N -4.85 3.31 -1.58 1.90 1.02 -0.85 -4.92 120.64 114.67 3mix n GLU 528 Ca 0.16 -2.30 -0.06 0.00 -0.02 0.00 0.00 57.16 54.94 3mix n GLU 528 Cb 0.39 -1.82 -0.02 0.00 -0.02 0.00 0.00 31.44 29.97 3mix n GLU 528 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3mix n LYS 529 N 0.79 -0.47 -3.14 3.49 4.76 0.16 -4.98 118.16 118.78 3mix n LYS 529 Ca 0.21 0.54 -0.41 0.00 -2.87 0.00 0.00 58.31 55.78 3mix n LYS 529 Cb 0.77 -4.35 -0.07 0.00 -1.84 0.00 0.00 35.03 29.55 3mix n LYS 529 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3mix s VAL 530 N -2.27 4.94 0.46 -0.18 1.01 -0.25 -4.99 120.40 119.12 3mix s VAL 530 Ca 0.00 0.72 -0.24 0.00 0.00 0.00 0.00 61.98 62.46 3mix s VAL 530 Cb 0.00 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 3mix s VAL 530 CO 0.00 -0.18 1.19 -0.24 0.00 0.00 0.00 175.10 175.86 3mix n SER 531 N 5.89 2.06 -1.38 3.32 2.88 -1.26 -3.71 113.62 121.42 3mix n SER 531 Ca -0.02 1.04 0.01 0.00 -1.33 0.00 0.00 58.87 58.57 3mix n SER 531 Cb 0.49 -1.47 0.27 0.00 -0.75 0.00 0.00 64.21 62.76 3mix n SER 531 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3mix n ILE 532 N -0.58 2.60 -0.07 2.46 -5.35 0.53 -4.64 119.36 114.30 3mix n ILE 532 Ca 0.09 -1.94 0.02 0.00 -0.27 0.00 0.00 62.75 60.65 3mix n ILE 532 Cb 0.41 -0.31 0.36 0.00 -1.74 0.00 0.00 39.64 38.36 3mix n ILE 532 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 3mix h ARG 533 N 2.06 0.69 -4.20 6.28 3.08 -1.85 -3.35 114.38 117.08 3mix h ARG 533 Ca 0.14 -0.05 -0.73 0.00 0.07 0.00 0.00 59.98 59.40 3mix h ARG 533 Cb 1.83 -0.15 -0.13 0.00 0.08 0.00 0.00 29.97 31.60 3mix h ARG 533 CO 0.45 0.47 2.13 -1.71 -1.07 0.00 0.00 179.97 180.24 3mix n ASN 534 N -4.44 4.85 0.08 7.04 4.05 -1.26 -4.73 115.26 120.84 3mix n ASN 534 Ca 0.05 -3.00 -0.03 0.00 0.45 0.00 0.00 54.58 52.05 3mix n ASN 534 Cb 0.06 -1.57 0.22 0.00 1.23 0.00 0.00 39.78 39.72 3mix n ASN 534 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3mix h LEU 535 N 9.34 0.31 0.40 1.20 3.38 -1.98 -2.20 115.31 125.77 3mix h LEU 535 Ca 0.42 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 3mix h LEU 535 Cb 0.72 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 3mix h LEU 535 CO 1.57 0.67 -0.24 0.58 0.09 0.00 0.00 178.44 181.11 3mix h VAL 536 N 0.25 0.51 -0.45 1.22 2.07 -1.95 -0.03 116.25 117.88 3mix h VAL 536 Ca 0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 3mix h VAL 536 Cb 0.79 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3mix h VAL 536 CO 0.06 0.00 0.15 0.74 0.02 0.00 0.00 177.57 178.54 3mix h THR 537 N -0.60 1.22 -0.23 2.57 2.02 -1.95 0.24 112.91 116.18 3mix h THR 537 Ca -0.05 -0.71 0.06 0.00 0.77 0.00 0.00 66.41 66.49 3mix h THR 537 Cb 0.49 0.84 -0.07 0.00 -1.74 0.00 0.00 68.15 67.67 3mix h THR 537 CO 0.05 0.26 -0.23 0.40 0.37 0.00 0.00 175.52 176.37 3mix h ILE 538 N 0.58 0.42 -0.14 3.11 2.04 -1.31 -1.49 117.51 120.73 3mix h ILE 538 Ca 0.15 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.90 3mix h ILE 538 Cb 0.25 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3mix h ILE 538 CO -0.01 0.00 -0.39 -0.26 0.00 0.00 0.00 178.15 177.49 3mix h PHE 539 N -0.24 0.35 -0.72 1.37 -1.00 -0.75 -0.89 116.94 115.06 3mix h PHE 539 Ca 0.13 -0.09 -0.06 0.00 2.81 0.00 0.00 57.97 60.76 3mix h PHE 539 Cb 0.44 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.89 3mix h PHE 539 CO -0.38 0.66 0.21 0.93 -1.61 0.00 0.00 178.31 178.11 3mix h GLU 540 N 0.25 1.12 -0.34 1.51 5.08 -0.72 0.26 114.58 121.75 3mix h GLU 540 Ca 0.03 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 3mix h GLU 540 Cb 0.81 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3mix h GLU 540 CO 0.06 0.96 -0.03 1.15 -1.00 0.00 0.00 179.01 180.15 3mix h THR 541 N 1.07 1.27 -0.82 1.13 2.02 -0.98 -1.38 112.91 115.22 3mix h THR 541 Ca 0.23 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 3mix h THR 541 Cb 0.32 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 3mix h THR 541 CO -0.00 0.34 0.44 -0.07 0.37 0.00 0.00 175.52 176.60 3mix h LEU 542 N 0.41 1.02 -0.68 2.58 3.38 -0.86 -1.74 115.31 119.42 3mix h LEU 542 Ca 0.09 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3mix h LEU 542 Cb 0.50 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3mix h LEU 542 CO 0.02 0.82 0.25 0.00 0.09 0.00 0.00 178.44 179.63 3mix h ALA 543 N 1.34 0.89 0.00 1.53 0.00 -0.25 0.38 119.26 123.15 3mix h ALA 543 Ca 0.29 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3mix h ALA 543 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3mix h ALA 543 CO -0.05 0.53 -0.37 0.22 0.00 0.00 0.00 179.25 179.59 3mix h ASP 544 N 0.98 0.00 0.00 0.00 3.58 -0.79 -3.33 116.42 116.86 3mix h ASP 544 Ca 0.23 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.66 3mix h ASP 544 Cb 0.24 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.29 3mix h ASP 544 CO -0.01 0.37 -1.22 -1.22 -2.88 0.00 0.00 179.24 174.27 3mix n TYR 545 N -3.55 0.00 -0.02 0.28 4.01 -0.69 -4.75 117.16 112.44 3mix n TYR 545 Ca -0.00 0.00 0.23 0.00 -0.16 0.00 0.00 57.90 57.96 3mix n TYR 545 Cb 0.50 -0.13 0.72 0.00 -0.31 0.00 0.00 39.34 40.12 3mix n TYR 545 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3mix h GLY 546 N 0.82 0.00 1.58 2.72 0.00 -0.35 0.19 103.07 108.02 3mix h GLY 546 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3mix h GLY 546 CO 0.00 0.00 -0.33 0.50 0.00 0.00 0.00 176.54 176.71 3mix h LYS 547 N 0.00 0.00 0.00 4.80 1.57 -1.81 -3.30 116.57 117.83 3mix h LYS 547 Ca 0.28 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.90 3mix h LYS 547 Cb 1.25 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.53 3mix h LYS 547 CO -0.00 0.00 -1.78 1.28 -0.57 0.00 0.00 179.45 178.38 3mix n LEU 548 N -2.29 0.42 -3.62 2.94 4.77 0.57 -4.97 117.00 114.82 3mix n LEU 548 Ca 0.04 0.18 -0.12 0.00 -0.03 0.00 0.00 56.01 56.09 3mix n LEU 548 Cb 0.45 0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.62 3mix n LEU 548 CO 0.34 0.17 0.60 0.28 -1.33 0.00 0.00 177.39 177.45 3mix s THR 549 N -3.01 0.00 -1.38 -5.08 -1.32 -0.72 -5.02 115.64 99.12 3mix s THR 549 Ca -0.06 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.56 3mix s THR 549 Cb 0.09 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.38 3mix s THR 549 CO 0.84 0.00 1.19 0.35 -2.21 0.00 0.00 174.62 174.80 3mix n THR 550 N 2.21 0.66 -2.05 5.08 -2.24 -1.26 -4.13 114.28 112.55 3mix n THR 550 Ca -0.13 -0.83 -0.43 0.00 -2.27 0.00 0.00 64.05 60.39 3mix n THR 550 Cb 0.56 0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 69.53 3mix n THR 550 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3mix s ASP 551 N -1.06 6.30 0.32 3.42 -1.08 -1.26 -4.89 116.67 118.42 3mix s ASP 551 Ca 0.25 1.69 0.12 0.00 -0.52 0.00 0.00 52.55 54.09 3mix s ASP 551 Cb 0.14 -2.53 0.53 0.00 -1.46 0.00 0.00 42.92 39.60 3mix s ASP 551 CO 0.19 -1.31 1.71 0.77 0.52 0.00 0.00 175.17 177.04 3mix h SER 552 N 11.11 0.00 -0.19 -0.34 4.64 -1.93 -0.08 113.55 126.77 3mix h SER 552 Ca -0.35 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.99 3mix h SER 552 Cb 1.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 3mix h SER 552 CO 1.00 0.50 0.06 0.44 -0.87 0.00 0.00 176.83 177.95 3mix h ASP 553 N 0.00 0.06 -0.36 4.97 3.32 -1.95 -2.13 116.42 120.33 3mix h ASP 553 Ca -0.01 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.91 3mix h ASP 553 Cb 0.91 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 3mix h ASP 553 CO 0.07 0.06 -0.38 -0.07 -1.72 0.00 0.00 179.24 177.20 3mix h LEU 554 N 0.14 0.95 -1.63 1.55 3.38 -1.82 -2.79 115.31 115.10 3mix h LEU 554 Ca 0.08 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.62 3mix h LEU 554 Cb 0.06 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3mix h LEU 554 CO -0.09 1.23 0.31 -0.07 0.09 0.00 0.00 178.44 179.91 3mix h LEU 555 N 0.69 0.42 -0.28 1.67 3.38 -1.03 -2.16 115.31 118.00 3mix h LEU 555 Ca 0.05 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 3mix h LEU 555 Cb 0.97 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3mix h LEU 555 CO 0.09 0.28 -0.88 0.00 0.09 0.00 0.00 178.44 178.03 3mix h THR 556 N 0.48 1.54 -0.39 0.22 1.03 -1.21 -1.56 112.91 113.03 3mix h THR 556 Ca 0.19 -2.75 0.01 0.00 -0.01 0.00 0.00 66.41 63.85 3mix h THR 556 Cb 0.17 2.52 -0.02 0.00 -1.07 0.00 0.00 68.15 69.75 3mix h THR 556 CO -0.05 0.80 0.25 -0.33 -0.01 0.00 0.00 175.52 176.18 3mix h GLU 557 N 0.06 0.50 -0.64 0.00 4.39 -1.14 0.14 114.58 117.88 3mix h GLU 557 Ca -0.03 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 3mix h GLU 557 Cb 1.52 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 30.03 3mix h GLU 557 CO 0.13 0.33 0.18 1.88 -1.16 0.00 0.00 179.01 180.37 3mix h TYR 558 N 0.52 1.01 -0.09 4.33 0.05 -1.40 -2.04 116.97 119.35 3mix h TYR 558 Ca 0.14 -0.10 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 3mix h TYR 558 Cb -0.05 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 37.39 3mix h TYR 558 CO -0.05 0.82 -0.04 1.15 -1.05 0.00 0.00 178.16 178.99 3mix h THR 559 N 0.95 1.31 -0.57 -2.88 2.02 -0.92 -1.13 112.91 111.69 3mix h THR 559 Ca 0.21 -1.02 0.11 0.00 0.77 0.00 0.00 66.41 66.47 3mix h THR 559 Cb 0.29 1.80 -0.08 0.00 -1.74 0.00 0.00 68.15 68.42 3mix h THR 559 CO -0.01 0.29 0.10 0.03 0.37 0.00 0.00 175.52 176.30 3mix h ARG 560 N -0.16 0.23 -0.44 6.66 3.08 -0.64 -0.98 114.38 122.12 3mix h ARG 560 Ca 0.02 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.08 3mix h ARG 560 Cb 0.47 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 3mix h ARG 560 CO 0.01 0.15 0.26 0.37 -1.07 0.00 0.00 179.97 179.69 3mix h GLN 561 N 0.23 0.50 0.00 0.04 4.15 -1.27 -1.12 115.11 117.64 3mix h GLN 561 Ca 0.29 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.68 3mix h GLN 561 Cb 0.43 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 3mix h GLN 561 CO -0.39 0.33 -0.00 0.00 -1.93 0.00 0.00 178.83 176.83 3mix h ALA 562 N 1.20 1.31 -0.64 3.38 0.00 -0.33 -1.53 119.26 122.66 3mix h ALA 562 Ca 0.18 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3mix h ALA 562 Cb 0.02 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 3mix h ALA 562 CO -0.09 0.01 0.14 1.28 0.00 0.00 0.00 179.25 180.58 3mix n LEU 563 N -3.54 5.76 -0.19 0.00 4.77 -0.44 -4.67 117.00 118.69 3mix n LEU 563 Ca -0.03 -2.96 -0.00 0.00 -0.03 0.00 0.00 56.01 52.99 3mix n LEU 563 Cb 0.08 -0.71 0.08 0.00 -2.33 0.00 0.00 43.42 40.54 3mix n LEU 563 CO 0.25 0.70 0.82 0.00 -1.33 0.00 0.00 177.39 177.82 3mix h ALA 564 N 3.29 0.53 -0.30 -1.18 0.00 -1.10 -0.17 119.26 120.33 3mix h ALA 564 Ca 0.13 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.28 3mix h ALA 564 Cb 2.11 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 20.19 3mix h ALA 564 CO 0.60 -0.40 0.00 -0.22 0.00 0.00 0.00 179.25 179.23 3mix h LYS 565 N 0.09 0.09 -0.40 0.00 3.64 -1.83 0.16 116.57 118.31 3mix h LYS 565 Ca 0.30 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 3mix h LYS 565 Cb 0.47 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 3mix h LYS 565 CO -0.52 0.06 0.23 0.37 -2.27 0.00 0.00 179.45 177.31 3mix h GLN 566 N 0.09 0.55 -0.43 1.90 4.15 -1.77 -1.59 115.11 118.01 3mix h GLN 566 Ca 0.14 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.38 3mix h GLN 566 Cb 0.19 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 3mix h GLN 566 CO -0.24 0.43 -0.25 0.82 -1.93 0.00 0.00 178.83 177.65 3mix h ILE 567 N 0.52 1.27 -0.52 2.39 2.04 -0.55 -1.64 117.51 121.02 3mix h ILE 567 Ca 0.14 -1.41 -0.03 0.00 1.00 0.00 0.00 64.86 64.57 3mix h ILE 567 Cb 0.03 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3mix h ILE 567 CO -0.02 0.48 0.22 0.71 0.00 0.00 0.00 178.15 179.53 3mix h THR 568 N 0.78 1.21 -0.28 -0.27 1.35 -0.62 -2.16 112.91 112.92 3mix h THR 568 Ca 0.10 -0.65 0.02 0.00 -0.55 0.00 0.00 66.41 65.33 3mix h THR 568 Cb 0.81 0.67 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 3mix h THR 568 CO 0.07 0.25 0.19 0.00 -0.25 0.00 0.00 175.52 175.77 3mix h ALA 569 N 1.06 1.91 0.00 6.62 0.00 -1.07 0.33 119.26 128.12 3mix h ALA 569 Ca 0.17 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3mix h ALA 569 Cb 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3mix h ALA 569 CO -0.02 0.05 -0.47 0.37 0.00 0.00 0.00 179.25 179.18 3mix h GLN 570 N 0.28 0.00 0.00 0.00 4.15 -0.64 -3.37 115.11 115.53 3mix h GLN 570 Ca 0.11 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.44 3mix h GLN 570 Cb 0.11 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 3mix h GLN 570 CO -0.02 0.47 -1.34 1.19 -1.93 0.00 0.00 178.83 177.19 3mix n PHE 571 N -3.97 0.00 -3.67 3.99 3.72 -0.90 -5.04 117.46 111.58 3mix n PHE 571 Ca -0.02 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.04 3mix n PHE 571 Cb 0.49 -0.24 -0.05 0.00 -0.94 0.00 0.00 39.48 38.74 3mix n PHE 571 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mix s ALA 572 N -2.12 3.79 0.17 4.37 0.00 0.11 -5.03 121.76 123.05 3mix s ALA 572 Ca -0.04 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.43 3mix s ALA 572 Cb 0.02 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 3mix s ALA 572 CO 0.19 0.61 0.34 0.15 0.00 0.00 0.00 175.76 177.05 3mix s LYS 573 N -1.88 3.49 0.14 0.00 -0.14 -1.26 -4.66 119.74 115.43 3mix s LYS 573 Ca 0.31 -0.44 -0.31 0.00 -1.36 0.00 0.00 55.97 54.16 3mix s LYS 573 Cb -0.13 -2.90 -0.10 0.00 -1.68 0.00 0.00 37.83 33.02 3mix s LYS 573 CO 0.18 0.46 1.70 -2.00 -0.76 0.00 0.00 175.35 174.92 3mix s GLU 574 N -3.25 4.17 -0.29 1.68 2.56 -1.26 -2.86 118.70 119.45 3mix s GLU 574 Ca 0.37 2.48 0.00 0.00 0.00 0.00 0.00 54.97 57.82 3mix s GLU 574 Cb -0.11 -3.37 0.00 0.00 2.00 0.00 0.00 34.13 32.65 3mix s GLU 574 CO 0.29 -0.74 0.00 0.09 -0.56 0.00 0.00 175.26 174.34 3mix n ASN 575 N 4.87 -4.31 -4.67 -1.70 4.13 -1.26 -4.93 115.26 107.39 3mix n ASN 575 Ca 0.16 0.07 -0.34 0.00 1.68 0.00 0.00 54.58 56.14 3mix n ASN 575 Cb 0.38 -2.86 -0.10 0.00 -1.54 0.00 0.00 39.78 35.66 3mix n ASN 575 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 3mix s GLU 576 N -1.78 2.91 0.12 3.52 2.12 -1.13 -5.09 118.70 119.38 3mix s GLU 576 Ca 0.00 -0.46 -0.31 0.00 0.36 0.00 0.00 54.97 54.56 3mix s GLU 576 Cb 0.00 -2.74 -0.08 0.00 0.26 0.00 0.00 34.13 31.57 3mix s GLU 576 CO 0.00 0.68 1.36 0.54 -0.54 0.00 0.00 175.26 177.30 3mix s VAL 577 N -0.92 3.35 -0.12 3.70 0.11 -1.26 -4.54 120.40 120.72 3mix s VAL 577 Ca 0.14 0.99 -0.22 0.00 -2.93 0.00 0.00 61.98 59.96 3mix s VAL 577 Cb -0.11 -3.63 -0.03 0.00 -1.53 0.00 0.00 36.38 31.07 3mix s VAL 577 CO 0.04 0.09 0.68 -0.22 -3.33 0.00 0.00 175.10 172.36 3mix s LEU 578 N 0.89 4.25 -0.42 2.54 2.96 -0.34 -4.97 118.68 123.58 3mix s LEU 578 Ca 0.63 1.06 -0.29 0.00 -0.22 0.00 0.00 54.13 55.31 3mix s LEU 578 Cb -0.36 -3.01 0.03 0.00 0.50 0.00 0.00 46.19 43.34 3mix s LEU 578 CO 0.32 -0.19 1.10 -0.54 -1.32 0.00 0.00 176.35 175.72 3mix s LYS 579 N 1.26 3.82 -0.06 1.98 -0.14 -1.26 -2.89 119.74 122.45 3mix s LYS 579 Ca 0.34 0.69 -0.00 0.00 -1.36 0.00 0.00 55.97 55.64 3mix s LYS 579 Cb -0.17 -3.85 0.03 0.00 -1.68 0.00 0.00 37.83 32.16 3mix s LYS 579 CO 0.14 -1.21 -0.01 0.08 -0.76 0.00 0.00 175.35 173.59 3mix s VAL 580 N 4.13 0.41 0.14 3.17 1.01 -0.86 -4.45 120.40 123.94 3mix s VAL 580 Ca 0.46 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 3mix s VAL 580 Cb -0.09 -0.52 -0.07 0.00 0.00 0.00 0.00 36.38 35.71 3mix s VAL 580 CO 0.26 0.24 1.12 -0.69 0.00 0.00 0.00 175.10 176.02 3mix s VAL 581 N 1.51 3.97 0.58 2.92 1.01 -0.92 -3.26 120.40 126.20 3mix s VAL 581 Ca -0.02 1.60 0.08 0.00 0.00 0.00 0.00 61.98 63.64 3mix s VAL 581 Cb -0.13 -4.03 0.07 0.00 0.00 0.00 0.00 36.38 32.30 3mix s VAL 581 CO -0.03 0.23 0.61 0.42 0.00 0.00 0.00 175.10 176.33 3mix s THR 582 N 0.15 1.79 -0.06 3.92 -4.23 -0.89 -1.03 115.64 115.29 3mix s THR 582 Ca 0.52 -1.25 0.04 0.00 -1.18 0.00 0.00 61.69 59.82 3mix s THR 582 Cb -0.29 -2.04 -0.02 0.00 1.34 0.00 0.00 72.50 71.49 3mix s THR 582 CO 0.33 0.00 -0.19 0.00 -0.54 0.00 0.00 174.62 174.22 3mix n SER 584 N 2.66 -1.33 0.04 0.00 2.88 0.44 -4.82 113.62 113.49 3mix n SER 584 Ca -0.17 0.25 -0.02 0.00 -1.33 0.00 0.00 58.87 57.59 3mix n SER 584 Cb 0.52 -1.27 0.23 0.00 -0.75 0.00 0.00 64.21 62.95 3mix n SER 584 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3mix h GLY 585 N -1.86 0.46 0.80 0.46 0.00 -1.99 -2.41 103.07 98.53 3mix h GLY 585 Ca -0.47 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.49 3mix h GLY 585 CO 0.38 0.33 -0.10 3.21 0.00 0.00 0.00 176.54 180.37 3mix h ARG 586 N 0.38 -0.26 -0.89 4.80 3.08 -1.92 -0.66 114.38 118.91 3mix h ARG 586 Ca 0.06 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.15 3mix h ARG 586 Cb 0.63 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.69 3mix h ARG 586 CO 0.05 -0.02 0.58 0.28 -1.07 0.00 0.00 179.97 179.78 3mix h VAL 587 N -0.47 1.17 -0.66 2.04 2.07 -1.83 -0.43 116.25 118.15 3mix h VAL 587 Ca -0.03 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 3mix h VAL 587 Cb 0.36 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 3mix h VAL 587 CO 0.05 0.21 0.10 -0.08 0.02 0.00 0.00 177.57 177.86 3mix h GLU 588 N 1.15 1.10 -0.17 1.57 4.81 -1.37 -2.56 114.58 119.10 3mix h GLU 588 Ca 0.35 -0.30 -0.16 0.00 -0.13 0.00 0.00 59.36 59.11 3mix h GLU 588 Cb -0.04 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3mix h GLU 588 CO -0.10 1.01 -0.57 1.57 -0.73 0.00 0.00 179.01 180.19 3mix h LYS 589 N 1.01 0.53 -0.20 1.92 5.09 -0.63 -2.85 116.57 121.44 3mix h LYS 589 Ca 0.20 -0.34 -0.09 0.00 0.09 0.00 0.00 60.65 60.51 3mix h LYS 589 Cb 0.45 0.04 -0.01 0.00 0.10 0.00 0.00 32.23 32.81 3mix h LYS 589 CO 0.01 0.95 -0.27 0.00 -2.09 0.00 0.00 179.45 178.06 3mix h ALA 590 N 0.98 1.18 -0.05 0.07 0.00 -0.95 -1.61 119.26 118.87 3mix h ALA 590 Ca 0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 3mix h ALA 590 Cb 1.11 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.80 3mix h ALA 590 CO 0.11 0.53 -0.46 0.82 0.00 0.00 0.00 179.25 180.24 3mix h ILE 591 N 0.33 1.42 -0.90 0.00 2.04 -1.51 -3.15 117.51 115.74 3mix h ILE 591 Ca 0.05 -1.88 0.05 0.00 1.00 0.00 0.00 64.86 64.07 3mix h ILE 591 Cb 0.65 2.41 -0.06 0.00 -0.74 0.00 0.00 36.82 39.07 3mix h ILE 591 CO 0.05 0.55 0.57 0.00 0.00 0.00 0.00 178.15 179.32 3mix h ALA 592 N 0.39 1.21 -0.78 1.87 0.00 -1.35 -2.22 119.26 118.38 3mix h ALA 592 Ca -0.04 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3mix h ALA 592 Cb 1.13 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3mix h ALA 592 CO 0.09 0.39 0.51 -0.44 0.00 0.00 0.00 179.25 179.81 3mix h ASP 593 N 1.09 0.88 0.71 0.00 5.19 -1.38 -2.97 116.42 119.94 3mix h ASP 593 Ca 0.37 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 3mix h ASP 593 Cb 0.07 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.37 3mix h ASP 593 CO -0.14 0.62 0.00 0.61 -3.12 0.00 0.00 179.24 177.21 3mix n GLY 594 N -1.31 -1.21 3.70 2.75 0.00 -0.85 -4.81 105.19 103.47 3mix n GLY 594 Ca 0.08 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3mix n GLY 594 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mix s VAL 595 N -3.03 3.36 -0.18 1.61 1.01 -1.12 -2.95 120.40 119.09 3mix s VAL 595 Ca 0.09 0.86 -0.13 0.00 0.00 0.00 0.00 61.98 62.80 3mix s VAL 595 Cb 0.13 -3.55 -0.08 0.00 0.00 0.00 0.00 36.38 32.88 3mix s VAL 595 CO 0.37 0.03 -0.30 0.00 0.00 0.00 0.00 175.10 175.20 3mix n GLN 596 N 4.86 0.47 -1.52 2.72 1.13 -1.26 -5.03 117.38 118.74 3mix n GLN 596 Ca 0.13 0.20 -0.00 0.00 -1.94 0.00 0.00 57.00 55.39 3mix n GLN 596 Cb 0.42 -1.30 0.00 0.00 0.11 0.00 0.00 30.24 29.47 3mix n GLN 596 CO 0.00 0.00 0.00 2.48 -1.44 0.00 0.00 177.06 178.10 3mix n TYR 603 N -4.17 -0.03 -3.23 1.08 0.18 -1.26 -5.20 117.16 104.53 3mix n TYR 603 Ca -0.29 0.01 -0.46 0.00 1.88 0.00 0.00 57.90 59.04 3mix n TYR 603 Cb 0.63 -1.84 -0.04 0.00 -0.38 0.00 0.00 39.34 37.72 3mix n TYR 603 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 3mix s LEU 604 N -2.34 6.11 -0.26 -3.48 2.96 -1.26 -5.03 118.68 115.37 3mix s LEU 604 Ca 0.00 -2.07 -0.12 0.00 -0.22 0.00 0.00 54.13 51.72 3mix s LEU 604 Cb -0.00 -2.25 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 3mix s LEU 604 CO 0.01 -0.83 0.25 -0.94 -1.32 0.00 0.00 176.35 173.51 3mix s SER 605 N 3.08 6.13 0.00 3.68 1.04 -1.15 -5.02 113.70 121.45 3mix s SER 605 Ca 0.13 0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.69 3mix s SER 605 Cb -0.19 -2.15 -0.00 0.00 0.10 0.00 0.00 66.02 63.78 3mix s SER 605 CO -0.02 -0.06 -0.02 -0.76 0.98 0.00 0.00 173.24 173.36 3mix s LEU 606 N 1.67 2.03 0.30 2.42 1.02 -1.26 -4.55 118.68 120.31 3mix s LEU 606 Ca 0.10 -0.08 -0.30 0.00 0.02 0.00 0.00 54.13 53.87 3mix s LEU 606 Cb -0.15 -0.08 -0.11 0.00 0.02 0.00 0.00 46.19 45.87 3mix s LEU 606 CO 0.09 -0.01 1.58 -1.83 0.02 0.00 0.00 176.35 176.20 3mix s GLU 607 N -0.18 4.13 0.47 1.70 1.03 -1.26 -4.79 118.70 119.80 3mix s GLU 607 Ca -0.01 2.56 0.35 0.00 0.03 0.00 0.00 54.97 57.90 3mix s GLU 607 Cb -0.02 -3.02 1.49 0.00 -0.80 0.00 0.00 34.13 31.78 3mix s GLU 607 CO -0.00 -0.61 1.64 -1.35 -1.33 0.00 0.00 175.26 173.60 3mix h PRO 608 N 4.70 0.07 -0.32 -4.83 0.11 -2.01 0.90 132.00 130.62 3mix h PRO 608 Ca -0.47 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 3mix h PRO 608 Cb 1.22 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3mix h PRO 608 CO 0.78 0.05 -0.32 0.22 -0.21 0.00 0.00 178.00 178.51 3mix h ASP 609 N 0.07 0.72 -0.10 -2.05 1.82 -2.01 -3.02 116.42 111.86 3mix h ASP 609 Ca 0.81 -0.30 -0.02 0.00 -0.39 0.00 0.00 57.03 57.14 3mix h ASP 609 Cb 2.76 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 42.57 3mix h ASP 609 CO -0.28 0.99 0.01 0.40 -1.61 0.00 0.00 179.24 178.75 3mix h ILE 610 N 0.59 1.24 0.16 2.25 2.04 -1.16 -3.06 117.51 119.57 3mix h ILE 610 Ca 0.07 -0.76 0.01 0.00 1.00 0.00 0.00 64.86 65.17 3mix h ILE 610 Cb 0.84 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 3mix h ILE 610 CO 0.07 0.22 -0.19 0.77 0.00 0.00 0.00 178.15 179.02 3mix h SER 611 N -0.08 -0.52 -0.91 1.72 4.64 -1.57 -1.60 113.55 115.23 3mix h SER 611 Ca 0.03 0.05 0.19 0.00 -0.47 0.00 0.00 61.79 61.59 3mix h SER 611 Cb 0.33 0.19 -0.07 0.00 -0.31 0.00 0.00 62.40 62.53 3mix h SER 611 CO 0.00 -0.28 0.59 -0.33 -0.87 0.00 0.00 176.83 175.94 3mix h GLU 612 N -0.40 0.49 -0.14 4.77 4.39 -1.63 0.66 114.58 122.72 3mix h GLU 612 Ca 0.01 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 3mix h GLU 612 Cb 0.39 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3mix h GLU 612 CO -0.07 0.32 -0.10 1.03 -1.16 0.00 0.00 179.01 179.03 3mix h SER 613 N 0.50 0.33 -0.50 1.42 0.87 -1.21 -1.75 113.55 113.22 3mix h SER 613 Ca 0.48 -0.45 -0.10 0.00 -1.23 0.00 0.00 61.79 60.48 3mix h SER 613 Cb 1.04 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 3mix h SER 613 CO -0.21 0.71 -0.06 0.40 -0.53 0.00 0.00 176.83 177.14 3mix h ILE 614 N -0.05 1.26 -0.51 2.23 2.04 -0.92 -2.73 117.51 118.83 3mix h ILE 614 Ca 0.03 -1.19 0.03 0.00 1.00 0.00 0.00 64.86 64.73 3mix h ILE 614 Cb 0.60 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 3mix h ILE 614 CO 0.03 0.42 0.29 0.58 0.00 0.00 0.00 178.15 179.47 3mix h VAL 615 N 0.87 1.02 -0.22 1.67 2.07 -0.77 -1.89 116.25 119.00 3mix h VAL 615 Ca 0.15 -0.20 -0.19 0.00 0.82 0.00 0.00 66.70 67.28 3mix h VAL 615 Cb 0.60 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3mix h VAL 615 CO 0.04 0.11 -0.61 0.08 0.02 0.00 0.00 177.57 177.20 3mix h ARG 616 N 0.58 0.75 -0.17 1.57 0.11 -1.31 -0.63 114.38 115.28 3mix h ARG 616 Ca 0.21 -0.51 0.05 0.00 0.10 0.00 0.00 59.98 59.83 3mix h ARG 616 Cb 0.06 0.08 -0.05 0.00 1.11 0.00 0.00 29.97 31.16 3mix h ARG 616 CO -0.11 1.14 -0.17 0.77 0.10 0.00 0.00 179.97 181.70 3mix h SER 617 N 0.56 -0.53 -0.45 0.08 0.02 -1.29 0.28 113.55 112.21 3mix h SER 617 Ca -0.01 0.10 0.08 0.00 -0.84 0.00 0.00 61.79 61.13 3mix h SER 617 Cb 1.21 0.26 -0.07 0.00 0.14 0.00 0.00 62.40 63.94 3mix h SER 617 CO 0.13 -0.21 0.05 0.58 -1.14 0.00 0.00 176.83 176.23 3mix h VAL 618 N -0.19 0.70 -0.75 2.27 2.07 -1.31 -1.49 116.25 117.55 3mix h VAL 618 Ca 0.11 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 3mix h VAL 618 Cb 0.36 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3mix h VAL 618 CO -0.29 0.03 0.33 0.00 0.02 0.00 0.00 177.57 177.67 3mix h ALA 619 N 1.38 0.97 -0.15 1.67 0.00 0.15 0.34 119.26 123.61 3mix h ALA 619 Ca 0.23 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 3mix h ALA 619 Cb 0.31 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3mix h ALA 619 CO -0.33 0.56 -0.71 -0.22 0.00 0.00 0.00 179.25 178.54 3mix h LYS 620 N 1.06 0.66 -0.29 0.00 3.64 -0.33 -2.61 116.57 118.71 3mix h LYS 620 Ca 0.25 -0.51 -0.16 0.00 -1.27 0.00 0.00 60.65 58.96 3mix h LYS 620 Cb 0.16 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3mix h LYS 620 CO -0.03 1.13 -0.46 0.93 -2.27 0.00 0.00 179.45 178.75 3mix h GLU 621 N 0.46 0.75 -0.37 1.90 4.39 -1.11 -3.16 114.58 117.44 3mix h GLU 621 Ca -0.03 -0.43 -0.10 0.00 0.34 0.00 0.00 59.36 59.14 3mix h GLU 621 Cb 1.31 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.98 3mix h GLU 621 CO 0.14 1.05 -0.17 0.00 -1.16 0.00 0.00 179.01 178.87 3mix h ALA 622 N 0.88 1.01 -0.54 3.43 0.00 -0.93 -2.89 119.26 120.22 3mix h ALA 622 Ca 0.03 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.66 3mix h ALA 622 Cb 1.03 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 3mix h ALA 622 CO 0.10 0.59 0.26 1.49 0.00 0.00 0.00 179.25 181.69 3mix h GLU 623 N 0.61 0.49 -0.80 0.00 4.57 -1.43 -2.63 114.58 115.39 3mix h GLU 623 Ca 0.10 -0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.36 3mix h GLU 623 Cb 0.63 -0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 29.03 3mix h GLU 623 CO 0.04 0.33 0.43 1.96 -1.18 0.00 0.00 179.01 180.59 3mix h GLN 624 N 0.51 0.67 -0.09 1.92 1.08 -1.52 0.15 115.11 117.83 3mix h GLN 624 Ca 0.24 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.39 3mix h GLN 624 Cb 0.17 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3mix h GLN 624 CO -0.18 0.44 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.07 3mix h LEU 625 N 0.69 0.16 -0.52 1.46 4.07 -1.50 -3.05 115.31 116.63 3mix h LEU 625 Ca 0.40 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 58.03 3mix h LEU 625 Cb 0.45 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.15 3mix h LEU 625 CO -0.29 0.45 0.00 0.28 -1.08 0.00 0.00 178.44 177.81 3mix h SER 626 N -0.14 0.00 0.47 -0.43 0.02 -1.25 -1.24 113.55 111.00 3mix h SER 626 Ca 0.02 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3mix h SER 626 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 3mix h SER 626 CO 0.01 0.00 -0.21 -0.07 -1.14 0.00 0.00 176.83 175.41 3mix h LEU 627 N 0.00 0.00 -3.35 5.07 4.07 -0.59 -3.26 115.31 117.24 3mix h LEU 627 Ca 0.00 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.75 3mix h LEU 627 Cb 0.55 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.16 3mix h LEU 627 CO 0.00 0.21 -0.21 0.54 -1.08 0.00 0.00 178.44 177.90 3mix n ARG 628 N -3.74 2.01 -2.02 1.13 1.74 -0.56 -4.95 116.66 110.28 3mix n ARG 628 Ca -0.01 -3.34 -0.20 0.00 -0.77 0.00 0.00 57.85 53.53 3mix n ARG 628 Cb 0.32 -1.85 -0.05 0.00 -1.02 0.00 0.00 32.46 29.87 3mix n ARG 628 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3mix n GLN 629 N -1.07 -1.60 -4.25 5.56 1.13 -1.20 -4.98 117.38 110.96 3mix n GLN 629 Ca 0.33 1.07 -0.31 0.00 -1.94 0.00 0.00 57.00 56.14 3mix n GLN 629 Cb 0.95 -5.59 -0.09 0.00 0.11 0.00 0.00 30.24 25.62 3mix n GLN 629 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3mix s GLU 630 N -4.41 2.60 -0.14 -1.09 0.41 -0.66 -5.01 118.70 110.40 3mix s GLU 630 Ca 0.00 -0.75 -0.29 0.00 -0.41 0.00 0.00 54.97 53.52 3mix s GLU 630 Cb 0.00 -2.56 -0.02 0.00 -1.78 0.00 0.00 34.13 29.77 3mix s GLU 630 CO 0.00 0.58 1.23 0.99 -0.49 0.00 0.00 175.26 177.57 3mix s THR 631 N -1.17 4.31 -0.24 3.63 2.01 -1.26 -3.51 115.64 119.41 3mix s THR 631 Ca 0.22 1.60 -0.29 0.00 0.31 0.00 0.00 61.69 63.52 3mix s THR 631 Cb -0.11 -4.03 0.01 0.00 0.01 0.00 0.00 72.50 68.37 3mix s THR 631 CO 0.13 -0.11 1.10 0.00 -0.69 0.00 0.00 174.62 175.06 3mix s ALA 632 N 3.15 3.63 0.15 7.40 0.00 -1.26 -4.95 121.76 129.89 3mix s ALA 632 Ca 0.54 0.19 0.10 0.00 0.00 0.00 0.00 51.96 52.79 3mix s ALA 632 Cb -0.22 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 3mix s ALA 632 CO 0.16 -1.19 -0.24 0.42 0.00 0.00 0.00 175.76 174.91 3mix s ILE 633 N 3.40 2.13 -0.13 0.00 1.09 -1.26 -4.11 121.20 122.32 3mix s ILE 633 Ca 0.47 -1.83 0.01 0.00 -1.10 0.00 0.00 60.65 58.20 3mix s ILE 633 Cb -0.16 -1.93 0.02 0.00 -1.06 0.00 0.00 42.46 39.32 3mix s ILE 633 CO 0.10 -0.06 -0.14 -0.22 -0.10 0.00 0.00 174.94 174.52 3mix s LEU 634 N -2.31 1.65 -0.03 2.97 2.96 -0.16 -2.17 118.68 121.59 3mix s LEU 634 Ca 0.15 -0.44 -0.03 0.00 -0.22 0.00 0.00 54.13 53.59 3mix s LEU 634 Cb -0.09 -1.10 -0.04 0.00 0.50 0.00 0.00 46.19 45.46 3mix s LEU 634 CO 0.07 -0.03 0.15 -0.76 -1.32 0.00 0.00 176.35 174.47 3mix s LEU 635 N 1.26 4.28 0.33 -0.68 1.43 -0.20 0.08 118.68 125.19 3mix s LEU 635 Ca -0.01 0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 53.28 3mix s LEU 635 Cb -0.14 -2.44 0.03 0.00 0.03 0.00 0.00 46.19 43.68 3mix s LEU 635 CO -0.06 0.29 0.68 0.00 0.23 0.00 0.00 176.35 177.50 3mix s SER 637 N -3.05 6.62 0.21 0.00 1.04 -1.26 -2.79 113.70 114.48 3mix s SER 637 Ca 0.18 1.81 -0.12 0.00 0.48 0.00 0.00 55.95 58.30 3mix s SER 637 Cb -0.04 -2.55 0.27 0.00 0.10 0.00 0.00 66.02 63.80 3mix s SER 637 CO 0.11 -0.58 1.66 -0.65 0.98 0.00 0.00 173.24 174.76 3mix h PRO 638 N 1.70 0.09 0.00 4.02 0.11 -1.94 -2.16 132.00 133.83 3mix h PRO 638 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3mix h PRO 638 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3mix h PRO 638 CO 0.60 0.06 0.00 -0.35 -0.21 0.00 0.00 178.00 178.10 3mix n PRO 639 N -5.30 0.01 -0.03 1.05 -0.04 -1.26 -2.79 135.00 126.64 3mix n PRO 639 Ca 0.08 0.27 0.01 0.00 -0.04 0.00 0.00 63.50 63.83 3mix n PRO 639 Cb 0.34 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.19 3mix n PRO 639 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3mix n VAL 640 N -1.49 0.38 -0.09 0.52 0.31 -0.90 -4.76 118.33 112.30 3mix n VAL 640 Ca 0.03 -0.42 -0.09 0.00 -0.01 0.00 0.00 64.34 63.85 3mix n VAL 640 Cb 0.15 -0.18 -0.03 0.00 -0.91 0.00 0.00 33.84 32.87 3mix n VAL 640 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3mix h ARG 641 N 0.00 -0.29 -0.70 5.55 2.43 -1.23 -0.21 114.38 119.93 3mix h ARG 641 Ca -0.15 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3mix h ARG 641 Cb 1.14 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 3mix h ARG 641 CO 0.01 -0.19 0.46 1.98 -1.51 0.00 0.00 179.97 180.72 3mix h MET 642 N -0.30 0.83 -0.03 0.20 4.05 -1.86 -2.07 114.93 115.75 3mix h MET 642 Ca 0.15 -0.05 -0.23 0.00 -0.28 0.00 0.00 59.70 59.29 3mix h MET 642 Cb 0.55 -0.19 0.01 0.00 -0.80 0.00 0.00 31.60 31.17 3mix h MET 642 CO -0.50 0.55 -0.92 1.88 0.23 0.00 0.00 176.91 178.14 3mix h TYR 643 N 0.86 0.82 -0.65 1.39 0.05 -1.54 -2.31 116.97 115.59 3mix h TYR 643 Ca 0.28 -0.42 0.04 0.00 0.05 0.00 0.00 58.73 58.68 3mix h TYR 643 Cb 0.05 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 37.64 3mix h TYR 643 CO -0.00 1.24 0.37 0.28 -1.05 0.00 0.00 178.16 179.00 3mix h VAL 644 N 0.34 1.01 -0.14 -2.88 2.07 -0.86 -2.13 116.25 113.67 3mix h VAL 644 Ca -0.09 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 3mix h VAL 644 Cb 1.56 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3mix h VAL 644 CO 0.17 0.13 0.08 0.50 0.02 0.00 0.00 177.57 178.48 3mix h LYS 645 N 0.71 0.19 -0.46 1.57 1.63 -1.32 -1.60 116.57 117.29 3mix h LYS 645 Ca 0.28 -0.02 0.09 0.00 -0.85 0.00 0.00 60.65 60.15 3mix h LYS 645 Cb 0.11 -0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 31.63 3mix h LYS 645 CO -0.15 0.17 -0.02 1.96 -3.45 0.00 0.00 179.45 177.96 3mix h GLN 646 N 0.16 0.08 -0.45 1.90 4.20 -1.20 -1.83 115.11 117.97 3mix h GLN 646 Ca 0.05 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3mix h GLN 646 Cb 0.03 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3mix h GLN 646 CO -0.01 0.06 0.29 1.25 -0.67 0.00 0.00 178.83 179.75 3mix h LEU 647 N 0.09 0.52 -0.06 1.46 5.85 -1.15 -3.02 115.31 119.00 3mix h LEU 647 Ca 0.23 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3mix h LEU 647 Cb 0.34 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3mix h LEU 647 CO -0.40 0.38 -0.09 0.18 -0.34 0.00 0.00 178.44 178.16 3mix n LEU 648 N -4.77 0.19 -0.04 2.25 4.77 -0.62 -4.36 117.00 114.42 3mix n LEU 648 Ca 0.01 0.24 -0.08 0.00 -0.03 0.00 0.00 56.01 56.15 3mix n LEU 648 Cb 0.03 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 3mix n LEU 648 CO 0.35 0.04 0.81 -0.08 -1.33 0.00 0.00 177.39 177.18 3mix h GLU 649 N 0.15 -0.05 0.00 3.23 4.81 -1.20 0.29 114.58 121.82 3mix h GLU 649 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3mix h GLU 649 Cb 0.40 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3mix h GLU 649 CO 0.00 -0.03 -0.30 -0.09 -0.73 0.00 0.00 179.01 177.86 3mix h ARG 650 N -0.05 0.00 0.01 1.92 2.43 -1.79 -2.39 114.38 114.51 3mix h ARG 650 Ca 0.10 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.07 3mix h ARG 650 Cb 0.20 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3mix h ARG 650 CO -0.23 0.30 -1.12 1.88 -1.51 0.00 0.00 179.97 179.28 3mix h TYR 651 N 0.00 0.05 -2.64 2.20 0.05 -1.60 -3.43 116.97 111.59 3mix h TYR 651 Ca -0.00 -0.03 -0.53 0.00 0.05 0.00 0.00 58.73 58.21 3mix h TYR 651 Cb 0.88 -0.00 -0.39 0.00 1.01 0.00 0.00 36.73 38.23 3mix h TYR 651 CO 0.00 1.44 -0.80 0.12 -1.05 0.00 0.00 178.16 177.87 3mix s PHE 652 N -2.36 0.41 0.22 4.88 2.19 0.95 -5.03 117.98 119.23 3mix s PHE 652 Ca -0.27 -1.13 -0.09 0.00 0.33 0.00 0.00 56.93 55.78 3mix s PHE 652 Cb 0.05 -0.86 0.33 0.00 -1.31 0.00 0.00 43.02 41.23 3mix s PHE 652 CO 0.62 -0.84 1.71 -1.00 1.83 0.00 0.00 175.22 177.54 3mix h PRO 653 N 7.80 0.30 -0.91 10.12 0.13 -1.57 -3.04 132.00 144.83 3mix h PRO 653 Ca -0.08 -0.02 -0.56 0.00 -0.87 0.00 0.00 66.00 64.47 3mix h PRO 653 Cb 1.00 -0.07 -0.29 0.00 0.13 0.00 0.00 31.00 31.77 3mix h PRO 653 CO 0.35 0.20 0.57 -0.40 -0.23 0.00 0.00 178.00 178.49 3mix n ASP 654 N -5.10 5.41 -4.55 1.44 5.68 -1.26 -4.85 116.55 113.32 3mix n ASP 654 Ca 0.10 -3.72 -0.43 0.00 -0.50 0.00 0.00 54.79 50.25 3mix n ASP 654 Cb 0.34 -0.84 -0.05 0.00 -1.14 0.00 0.00 41.12 39.42 3mix n ASP 654 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3mix s LEU 655 N -3.55 4.23 0.05 -2.12 2.96 -1.15 -5.03 118.68 114.08 3mix s LEU 655 Ca 0.59 0.01 -0.30 0.00 -0.22 0.00 0.00 54.13 54.21 3mix s LEU 655 Cb 0.48 -2.95 -0.08 0.00 0.50 0.00 0.00 46.19 44.14 3mix s LEU 655 CO 0.04 -0.84 1.68 -2.84 -1.32 0.00 0.00 176.35 173.07 3mix s PRO 656 N 3.17 4.19 -0.33 0.98 0.02 -1.26 -4.91 135.00 136.86 3mix s PRO 656 Ca 0.29 2.33 -0.06 0.00 0.02 0.00 0.00 61.00 63.58 3mix s PRO 656 Cb -0.13 -3.71 0.04 0.00 0.02 0.00 0.00 34.50 30.72 3mix s PRO 656 CO 0.20 -0.77 0.10 0.08 -0.33 0.00 0.00 177.00 176.28 3mix s VAL 657 N 3.01 3.77 0.23 3.83 1.01 -1.26 -0.98 120.40 130.01 3mix s VAL 657 Ca 0.75 -1.09 0.07 0.00 0.00 0.00 0.00 61.98 61.71 3mix s VAL 657 Cb -0.39 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 3mix s VAL 657 CO 0.32 -0.14 0.13 -0.76 0.00 0.00 0.00 175.10 174.65 3mix s LEU 658 N 1.41 3.65 0.19 3.92 1.43 0.11 -4.99 118.68 124.40 3mix s LEU 658 Ca -0.01 -0.32 0.06 0.00 -1.03 0.00 0.00 54.13 52.83 3mix s LEU 658 Cb -0.19 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 3mix s LEU 658 CO 0.03 -0.00 0.12 -0.94 0.23 0.00 0.00 176.35 175.79 3mix s SER 659 N -3.61 5.37 0.41 2.29 1.04 -1.26 -1.93 113.70 116.02 3mix s SER 659 Ca 0.32 -0.22 0.12 0.00 0.48 0.00 0.00 55.95 56.65 3mix s SER 659 Cb -0.08 -1.34 0.95 0.00 0.10 0.00 0.00 66.02 65.65 3mix s SER 659 CO 0.23 0.05 1.98 1.88 0.98 0.00 0.00 173.24 178.36 3mix h TYR 660 N 2.24 0.52 0.00 5.02 0.05 -1.87 -0.81 116.97 122.12 3mix h TYR 660 Ca -0.48 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.32 3mix h TYR 660 Cb 1.21 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.78 3mix h TYR 660 CO 0.59 0.26 0.00 0.09 -1.05 0.00 0.00 178.16 178.04 3mix n ASN 661 N -4.48 0.00 -0.00 3.88 5.03 -1.26 -2.55 115.26 115.89 3mix n ASN 661 Ca 0.10 -1.36 0.07 0.00 0.87 0.00 0.00 54.58 54.25 3mix n ASN 661 Cb 0.32 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 38.99 3mix n ASN 661 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3mix n GLU 662 N -0.75 1.77 -3.41 3.52 1.02 -0.31 -4.74 120.64 117.73 3mix n GLU 662 Ca 0.11 -0.04 -0.37 0.00 -0.02 0.00 0.00 57.16 56.84 3mix n GLU 662 Cb 0.05 -1.22 -0.07 0.00 -0.02 0.00 0.00 31.44 30.18 3mix n GLU 662 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3mix s LEU 663 N -3.07 4.24 0.57 -4.62 1.43 -1.05 -3.95 118.68 112.24 3mix s LEU 663 Ca 0.02 0.64 -0.20 0.00 -1.03 0.00 0.00 54.13 53.56 3mix s LEU 663 Cb 0.10 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 3mix s LEU 663 CO 0.59 0.03 1.25 -0.62 0.23 0.00 0.00 176.35 177.83 3mix n GLU 664 N 3.77 1.39 -0.18 1.70 1.02 -1.26 -4.89 120.64 122.18 3mix n GLU 664 Ca -0.09 0.52 0.21 0.00 -0.02 0.00 0.00 57.16 57.78 3mix n GLU 664 Cb 0.52 -2.46 0.59 0.00 -0.02 0.00 0.00 31.44 30.06 3mix n GLU 664 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mix h ALA 665 N 1.05 2.39 0.00 0.62 0.00 -1.98 -2.02 119.26 119.32 3mix h ALA 665 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3mix h ALA 665 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3mix h ALA 665 CO 0.55 -0.64 0.00 0.27 0.00 0.00 0.00 179.25 179.43 3mix n ASN 666 N -4.43 0.00 -4.70 0.00 6.94 -1.26 -4.86 115.26 106.94 3mix n ASN 666 Ca 0.17 -1.28 -0.39 0.00 -0.02 0.00 0.00 54.58 53.05 3mix n ASN 666 Cb 0.73 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 38.09 3mix n ASN 666 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3mix s VAL 667 N -2.00 5.08 -0.53 3.53 1.01 -0.76 -5.03 120.40 121.70 3mix s VAL 667 Ca 0.27 1.21 -0.25 0.00 0.00 0.00 0.00 61.98 63.21 3mix s VAL 667 Cb 0.13 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.60 3mix s VAL 667 CO 0.21 0.23 0.99 -1.61 0.00 0.00 0.00 175.10 174.92 3mix s GLU 668 N 1.08 3.43 -0.08 2.72 2.02 -1.26 -5.02 118.70 121.59 3mix s GLU 668 Ca 0.31 -0.03 0.03 0.00 0.02 0.00 0.00 54.97 55.31 3mix s GLU 668 Cb -0.16 -4.01 -0.02 0.00 0.10 0.00 0.00 34.13 30.04 3mix s GLU 668 CO 0.13 -1.45 -0.18 0.08 0.02 0.00 0.00 175.26 173.86 3mix s VAL 669 N 4.11 2.70 -0.02 2.63 1.01 -1.26 -1.20 120.40 128.37 3mix s VAL 669 Ca 0.35 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3mix s VAL 669 Cb -0.11 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.24 3mix s VAL 669 CO 0.23 0.56 0.01 -1.58 0.00 0.00 0.00 175.10 174.32 3mix s GLN 670 N -0.20 0.15 0.36 2.72 0.74 -1.14 -4.99 119.66 117.29 3mix s GLN 670 Ca -0.01 0.08 -0.26 0.00 0.05 0.00 0.00 55.36 55.23 3mix s GLN 670 Cb -0.13 -0.32 -0.09 0.00 1.10 0.00 0.00 33.01 33.56 3mix s GLN 670 CO 0.03 -0.11 1.06 -1.12 -0.55 0.00 0.00 175.29 174.61 3mix s SER 671 N 0.80 6.93 0.00 6.67 0.01 -1.23 -2.03 113.70 124.86 3mix s SER 671 Ca -0.07 2.12 0.00 0.00 1.31 0.00 0.00 55.95 59.30 3mix s SER 671 Cb -0.11 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.52 3mix s SER 671 CO -0.02 -0.37 0.00 -0.38 0.41 0.00 0.00 173.24 172.88 3mix n ILE 672 N 0.37 0.00 -3.87 1.44 -0.00 -1.20 -4.93 119.36 111.16 3mix n ILE 672 Ca 0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.67 3mix n ILE 672 Cb 0.48 -0.22 -0.10 0.00 -0.00 0.00 0.00 39.64 39.80 3mix n ILE 672 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 3mix s GLY 673 N -2.25 0.05 -0.21 7.39 0.00 -1.26 -5.06 107.32 105.98 3mix s GLY 673 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 44.72 44.61 3mix s GLY 673 CO 0.00 -0.25 -0.16 0.14 0.00 0.00 0.00 173.10 172.83 3mix s VAL 674 N -1.28 2.17 0.05 1.40 1.01 -1.26 -2.09 120.40 120.40 3mix s VAL 674 Ca -0.14 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.42 3mix s VAL 674 Cb -0.07 -2.02 -0.09 0.00 0.00 0.00 0.00 36.38 34.20 3mix s VAL 674 CO 0.01 0.37 1.79 -0.69 0.00 0.00 0.00 175.10 176.58 3mix s VAL 675 N 1.25 2.99 -0.59 2.92 1.01 -0.33 -4.80 120.40 122.84 3mix s VAL 675 Ca 0.01 0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.31 3mix s VAL 675 Cb -0.15 -3.17 0.04 0.00 0.00 0.00 0.00 36.38 33.09 3mix s VAL 675 CO -0.10 -0.01 0.65 0.47 0.00 0.00 0.00 175.10 176.11