#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nek s ILE 322 N 0.00 4.11 -0.11 5.15 1.01 -1.26 -5.03 121.20 125.07 3nek s ILE 322 Ca 0.00 1.59 -0.14 0.00 0.00 0.00 0.00 60.65 62.10 3nek s ILE 322 Cb 0.00 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 3nek s ILE 322 CO 0.00 0.17 0.33 -0.54 0.00 0.00 0.00 174.94 174.90 3nek s LYS 323 N 0.66 4.09 0.41 2.79 1.02 -1.26 -5.09 119.74 122.36 3nek s LYS 323 Ca 0.55 0.20 -0.18 0.00 0.02 0.00 0.00 55.97 56.57 3nek s LYS 323 Cb -0.28 -3.35 -0.10 0.00 -0.52 0.00 0.00 37.83 33.59 3nek s LYS 323 CO 0.31 0.41 0.88 -0.08 -0.92 0.00 0.00 175.35 175.95 3nek s THR 324 N -0.09 4.53 0.33 2.17 -1.32 -1.26 -4.55 115.64 115.45 3nek s THR 324 Ca 0.19 1.22 0.08 0.00 -1.21 0.00 0.00 61.69 61.97 3nek s THR 324 Cb -0.14 -3.63 0.32 0.00 -1.51 0.00 0.00 72.50 67.53 3nek s THR 324 CO 0.07 -0.36 1.84 0.00 -2.21 0.00 0.00 174.62 173.96 3nek h ALA 325 N 1.78 1.77 -0.41 11.08 0.00 -0.56 -1.39 119.26 131.53 3nek h ALA 325 Ca -0.48 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.53 3nek h ALA 325 Cb 1.18 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 3nek h ALA 325 CO 0.63 -0.05 0.03 1.25 0.00 0.00 0.00 179.25 181.11 3nek h LEU 326 N 0.75 -0.10 -0.60 0.00 6.46 -1.73 -2.92 115.31 117.17 3nek h LEU 326 Ca 0.49 0.08 -0.15 0.00 -0.12 0.00 0.00 57.88 58.19 3nek h LEU 326 Cb 0.77 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.82 3nek h LEU 326 CO -0.26 -0.01 -0.68 0.77 -0.62 0.00 0.00 178.44 177.64 3nek h SER 327 N 0.15 0.13 0.00 1.25 4.64 -1.60 -0.82 113.55 117.30 3nek h SER 327 Ca 0.20 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3nek h SER 327 Cb 0.27 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3nek h SER 327 CO -0.31 0.77 0.00 0.29 -0.87 0.00 0.00 176.83 176.72 3nek n LYS 328 N -3.77 0.11 0.00 4.77 5.02 -0.80 -2.12 118.16 121.37 3nek n LYS 328 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3nek n LYS 328 Cb 0.67 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.54 3nek n LYS 328 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3nek n PHE 330 N 0.55 0.00 -0.12 2.13 3.72 -0.31 -2.00 117.46 121.42 3nek n PHE 330 Ca 0.00 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.47 3nek n PHE 330 Cb 0.03 0.00 0.41 0.00 -0.94 0.00 0.00 39.48 38.98 3nek n PHE 330 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3nek h ASN 331 N 0.00 0.55 0.00 4.37 -0.26 -1.71 -3.21 115.58 115.32 3nek h ASN 331 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3nek h ASN 331 Cb 0.00 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.14 3nek h ASN 331 CO 0.00 0.36 0.00 0.00 -1.06 0.00 0.00 177.43 176.73 3nek n ALA 332 N -2.47 2.46 0.00 -0.83 0.00 -0.85 -4.10 120.51 114.72 3nek n ALA 332 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3nek n ALA 332 Cb 0.23 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3nek n ALA 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3nek n ALA 334 N 1.46 0.00 1.07 0.00 0.00 -1.22 -3.77 120.51 118.05 3nek n ALA 334 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3nek n ALA 334 Cb 0.23 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.02 3nek n ALA 334 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3nek n LYS 335 N 0.00 0.20 -2.48 0.00 4.76 -1.26 -4.89 118.16 114.50 3nek n LYS 335 Ca 0.00 -0.11 -0.42 0.00 -2.87 0.00 0.00 58.31 54.91 3nek n LYS 335 Cb 0.00 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.66 3nek n LYS 335 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3nek s VAL 336 N -2.87 4.16 0.00 -0.18 1.01 -1.25 -4.75 120.40 116.52 3nek s VAL 336 Ca 0.15 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.70 3nek s VAL 336 Cb 0.18 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3nek s VAL 336 CO 0.63 0.14 0.37 0.41 0.00 0.00 0.00 175.10 176.65 3nek n THR 337 N 3.78 0.13 -1.70 3.92 -1.04 -0.58 -4.93 114.28 113.86 3nek n THR 337 Ca 0.08 -0.30 -0.42 0.00 -2.04 0.00 0.00 64.05 61.37 3nek n THR 337 Cb 0.47 1.32 -0.03 0.00 -1.82 0.00 0.00 70.33 70.27 3nek n THR 337 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 3nek s TYR 338 N -0.13 1.34 -0.24 -1.42 6.14 -1.19 -4.26 117.35 117.59 3nek s TYR 338 Ca 0.00 -0.20 -0.10 0.00 0.64 0.00 0.00 57.07 57.41 3nek s TYR 338 Cb 0.00 -4.16 -0.05 0.00 0.42 0.00 0.00 41.96 38.18 3nek s TYR 338 CO 0.00 -5.09 0.15 0.34 0.64 0.00 0.00 175.55 171.59 3nek s ASP 339 N 5.06 6.02 0.18 4.32 -1.08 0.70 -4.87 116.67 126.99 3nek s ASP 339 Ca 0.89 0.08 -0.10 0.00 -0.52 0.00 0.00 52.55 52.90 3nek s ASP 339 Cb -0.40 -2.09 0.08 0.00 -1.46 0.00 0.00 42.92 39.05 3nek s ASP 339 CO 0.39 0.05 1.67 0.40 0.52 0.00 0.00 175.17 178.21 3nek h ILE 340 N 5.08 1.26 -0.82 4.11 2.04 -1.93 0.11 117.51 127.36 3nek h ILE 340 Ca -0.38 -1.01 0.09 0.00 1.00 0.00 0.00 64.86 64.57 3nek h ILE 340 Cb 1.17 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.90 3nek h ILE 340 CO 0.64 0.37 0.53 0.44 0.00 0.00 0.00 178.15 180.14 3nek h ASP 341 N 0.94 0.70 0.60 1.72 3.32 -1.95 -2.18 116.42 119.56 3nek h ASP 341 Ca 0.19 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 3nek h ASP 341 Cb 0.43 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3nek h ASP 341 CO 0.01 0.42 -1.43 1.21 -1.72 0.00 0.00 179.24 177.73 3nek n GLU 342 N -4.51 0.63 -3.48 3.56 4.07 -1.15 -4.99 120.64 114.77 3nek n GLU 342 Ca 0.14 0.02 -0.20 0.00 -0.06 0.00 0.00 57.16 57.05 3nek n GLU 342 Cb 0.32 -1.71 0.08 0.00 -0.06 0.00 0.00 31.44 30.06 3nek n GLU 342 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3nek n ALA 343 N -2.25 -1.48 -3.63 4.31 0.00 0.36 -5.01 120.51 112.81 3nek n ALA 343 Ca -0.04 0.23 -0.09 0.00 0.00 0.00 0.00 53.44 53.55 3nek n ALA 343 Cb 0.61 -4.25 -0.02 0.00 0.00 0.00 0.00 19.45 15.79 3nek n ALA 343 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3nek s ASP 344 N -3.65 -0.39 0.00 0.00 2.15 -1.06 -4.93 116.67 108.80 3nek s ASP 344 Ca 0.36 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 53.07 3nek s ASP 344 Cb -0.16 0.61 0.00 0.00 -0.30 0.00 0.00 42.92 43.07 3nek s ASP 344 CO 0.69 -1.06 0.00 0.61 -0.17 0.00 0.00 175.17 175.24 3nek n GLY 345 N -0.40 0.30 3.73 2.66 0.00 -1.26 -0.22 105.19 109.99 3nek n GLY 345 Ca -0.10 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 3nek n GLY 345 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3nek s ASP 346 N -1.85 7.23 0.37 1.61 1.11 -1.26 -0.81 116.67 123.07 3nek s ASP 346 Ca 0.00 1.48 0.08 0.00 0.18 0.00 0.00 52.55 54.30 3nek s ASP 346 Cb 0.00 -2.50 -0.07 0.00 1.07 0.00 0.00 42.92 41.42 3nek s ASP 346 CO 0.00 -0.10 -0.05 0.68 1.18 0.00 0.00 175.17 176.88 3nek s VAL 347 N 0.46 2.15 -0.21 -1.27 -7.23 0.94 -1.52 120.40 113.72 3nek s VAL 347 Ca 0.43 -2.11 -0.06 0.00 -1.81 0.00 0.00 61.98 58.43 3nek s VAL 347 Cb -0.20 -2.80 -0.03 0.00 0.56 0.00 0.00 36.38 33.91 3nek s VAL 347 CO 0.24 -0.12 0.02 -0.63 -0.31 0.00 0.00 175.10 174.30 3nek s ILE 348 N -2.65 4.09 0.13 -0.62 -1.09 -1.26 -1.86 121.20 117.94 3nek s ILE 348 Ca 0.34 -0.26 0.10 0.00 -2.23 0.00 0.00 60.65 58.60 3nek s ILE 348 Cb 0.06 -2.86 -0.04 0.00 -1.58 0.00 0.00 42.46 38.03 3nek s ILE 348 CO 0.17 0.41 -0.23 0.68 -1.23 0.00 0.00 174.94 174.74 3nek s VAL 349 N 1.07 2.52 0.31 2.92 -7.23 -0.31 -0.34 120.40 119.34 3nek s VAL 349 Ca 0.03 -1.65 -0.27 0.00 -1.81 0.00 0.00 61.98 58.27 3nek s VAL 349 Cb -0.14 -2.13 -0.09 0.00 0.56 0.00 0.00 36.38 34.57 3nek s VAL 349 CO 0.02 0.09 0.98 0.20 -0.31 0.00 0.00 175.10 176.09 3nek s ASN 350 N -2.10 7.30 -0.20 4.85 0.01 0.17 -1.83 114.94 123.14 3nek s ASN 350 Ca 0.16 1.96 0.01 0.00 -0.71 0.00 0.00 52.86 54.28 3nek s ASN 350 Cb -0.10 -2.59 0.03 0.00 0.41 0.00 0.00 41.25 38.99 3nek s ASN 350 CO 0.08 -0.10 -0.17 -0.89 -1.51 0.00 0.00 177.10 174.51 3nek s THR 351 N -1.46 2.17 0.29 1.60 2.01 -1.26 -2.06 115.64 116.94 3nek s THR 351 Ca 0.48 -1.05 0.11 0.00 0.31 0.00 0.00 61.69 61.55 3nek s THR 351 Cb -0.23 -1.99 -0.05 0.00 0.01 0.00 0.00 72.50 70.24 3nek s THR 351 CO 0.29 0.42 -0.15 0.00 -0.69 0.00 0.00 174.62 174.49 3nek s ALA 352 N 1.27 2.85 -0.02 7.40 0.00 -0.27 -4.60 121.76 128.38 3nek s ALA 352 Ca 0.02 -1.91 0.03 0.00 0.00 0.00 0.00 51.96 50.10 3nek s ALA 352 Cb -0.14 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 3nek s ALA 352 CO -0.11 0.23 -0.09 -0.06 0.00 0.00 0.00 175.76 175.73 3nek s PHE 353 N -2.51 0.91 0.22 0.00 0.40 -0.85 -1.62 117.98 114.51 3nek s PHE 353 Ca 0.31 -0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.46 3nek s PHE 353 Cb -0.03 -0.62 -0.05 0.00 0.51 0.00 0.00 43.02 42.83 3nek s PHE 353 CO 0.16 -0.06 0.03 0.96 0.70 0.00 0.00 175.22 177.00 3nek s ILE 354 N 0.00 0.79 0.57 0.64 -4.36 -0.95 -2.35 121.20 115.54 3nek s ILE 354 Ca 0.00 -2.01 -0.16 0.00 -0.26 0.00 0.00 60.65 58.23 3nek s ILE 354 Cb -0.06 -2.36 -0.05 0.00 1.25 0.00 0.00 42.46 41.24 3nek s ILE 354 CO 0.00 -0.28 1.03 -0.62 0.24 0.00 0.00 174.94 175.31 3nek s ASP 355 N -3.27 6.09 0.52 4.36 2.15 -1.26 -0.46 116.67 124.79 3nek s ASP 355 Ca 0.30 1.72 0.26 0.00 0.43 0.00 0.00 52.55 55.25 3nek s ASP 355 Cb 0.06 -2.52 1.41 0.00 -0.30 0.00 0.00 42.92 41.57 3nek s ASP 355 CO 0.09 -0.95 2.07 0.50 -0.17 0.00 0.00 175.17 176.70 3nek h LYS 356 N 0.59 0.00 0.00 4.34 3.64 -1.88 -2.67 116.57 120.59 3nek h LYS 356 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3nek h LYS 356 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3nek h LYS 356 CO 0.59 0.12 0.00 0.36 -2.27 0.00 0.00 179.45 178.25 3nek n LYS 357 N -3.73 0.08 -0.22 1.90 2.85 -1.26 -2.48 118.16 115.31 3nek n LYS 357 Ca -0.02 0.19 0.07 0.00 -1.05 0.00 0.00 58.31 57.50 3nek n LYS 357 Cb 0.23 -1.50 0.19 0.00 -0.65 0.00 0.00 35.03 33.30 3nek n LYS 357 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3nek n TYR 358 N -1.42 0.57 -0.08 5.58 4.01 -1.01 -4.74 117.16 120.07 3nek n TYR 358 Ca 0.05 -0.48 -0.07 0.00 -0.16 0.00 0.00 57.90 57.25 3nek n TYR 358 Cb 0.17 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 3nek n TYR 358 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3nek h LEU 359 N 2.61 -0.04 -0.10 7.72 5.85 -1.64 -1.97 115.31 127.73 3nek h LEU 359 Ca 0.00 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3nek h LEU 359 Cb 0.79 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 3nek h LEU 359 CO 0.00 0.01 0.01 0.44 -0.34 0.00 0.00 178.44 178.57 3nek h ASP 360 N 0.14 0.16 -0.04 1.25 3.32 -1.85 -2.95 116.42 116.45 3nek h ASP 360 Ca 0.15 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 56.84 3nek h ASP 360 Cb 0.18 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3nek h ASP 360 CO -0.22 0.39 -0.23 1.05 -1.72 0.00 0.00 179.24 178.51 3nek h GLU 361 N -0.08 0.45 -0.37 3.56 9.09 -1.89 -3.15 114.58 122.19 3nek h GLU 361 Ca 0.03 -0.16 -0.04 0.00 0.05 0.00 0.00 59.36 59.24 3nek h GLU 361 Cb 0.30 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.35 3nek h GLU 361 CO 0.00 0.66 0.07 0.00 0.05 0.00 0.00 179.01 179.79 3nek h ALA 362 N 1.35 0.49 -0.82 1.06 0.00 -1.31 -2.00 119.26 118.04 3nek h ALA 362 Ca 0.06 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3nek h ALA 362 Cb 0.63 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3nek h ALA 362 CO 0.05 0.19 0.52 0.35 0.00 0.00 0.00 179.25 180.35 3nek h PHE 363 N 0.45 0.98 0.18 0.00 3.57 -1.52 -0.24 116.94 120.36 3nek h PHE 363 Ca 0.11 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3nek h PHE 363 Cb 0.34 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.76 3nek h PHE 363 CO 0.02 0.56 -0.09 0.22 -2.23 0.00 0.00 178.31 176.80 3nek h ASP 364 N 1.02 -0.20 -0.48 0.41 3.58 -1.47 -0.96 116.42 118.32 3nek h ASP 364 Ca 0.33 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.68 3nek h ASP 364 Cb 0.02 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 3nek h ASP 364 CO -0.12 -0.05 0.24 0.40 -2.88 0.00 0.00 179.24 176.83 3nek h ILE 365 N -0.35 1.18 -0.37 2.25 2.04 -1.22 -1.80 117.51 119.24 3nek h ILE 365 Ca -0.02 -0.51 -0.07 0.00 1.00 0.00 0.00 64.86 65.26 3nek h ILE 365 Cb 0.27 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3nek h ILE 365 CO 0.04 0.21 -0.03 -0.07 0.00 0.00 0.00 178.15 178.29 3nek h LEU 366 N 0.72 0.67 -0.44 1.44 4.07 -0.88 0.14 115.31 121.03 3nek h LEU 366 Ca 0.18 -0.33 0.03 0.00 0.08 0.00 0.00 57.88 57.84 3nek h LEU 366 Cb 0.09 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.62 3nek h LEU 366 CO -0.02 0.84 0.24 0.11 -1.08 0.00 0.00 178.44 178.53 3nek h LYS 367 N 0.48 0.46 -0.62 1.13 1.57 -0.85 -1.55 116.57 117.19 3nek h LYS 367 Ca 0.10 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 3nek h LYS 367 Cb 0.52 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3nek h LYS 367 CO 0.03 0.31 0.13 0.93 -0.57 0.00 0.00 179.45 180.27 3nek h GLU 368 N 0.48 1.01 -0.80 3.15 4.39 -1.24 -1.81 114.58 119.75 3nek h GLU 368 Ca 0.19 -0.26 0.04 0.00 0.34 0.00 0.00 59.36 59.67 3nek h GLU 368 Cb 0.06 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.54 3nek h GLU 368 CO -0.11 0.93 0.50 0.00 -1.16 0.00 0.00 179.01 179.17 3nek h ALA 369 N 1.04 1.06 0.00 3.43 0.00 -0.38 -1.67 119.26 122.73 3nek h ALA 369 Ca 0.19 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3nek h ALA 369 Cb 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3nek h ALA 369 CO 0.01 0.30 -0.49 1.88 0.00 0.00 0.00 179.25 180.95 3nek h TYR 370 N 0.97 0.00 0.00 0.00 -1.99 -1.12 -1.68 116.97 113.15 3nek h TYR 370 Ca 0.33 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.98 3nek h TYR 370 Cb 0.05 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 3nek h TYR 370 CO -0.03 0.49 -0.37 0.87 -0.00 0.00 0.00 178.16 179.11 3nek h LYS 371 N 0.00 0.00 -0.60 4.88 1.57 -0.88 -3.06 116.57 118.48 3nek h LYS 371 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3nek h LYS 371 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3nek h LYS 371 CO 0.06 0.37 0.00 1.63 -0.57 0.00 0.00 179.45 180.94 3nek n LYS 372 N -3.67 2.78 -1.05 3.15 4.01 -0.67 -4.91 118.16 117.81 3nek n LYS 372 Ca -0.01 -1.87 -0.02 0.00 -0.51 0.00 0.00 58.31 55.91 3nek n LYS 372 Cb 0.47 -1.67 -0.01 0.00 -0.51 0.00 0.00 35.03 33.31 3nek n LYS 372 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3nek n GLY 373 N 0.85 0.53 3.84 0.72 0.00 -1.16 -5.02 105.19 104.95 3nek n GLY 373 Ca 0.17 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 3nek n GLY 373 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nek s LEU 374 N -0.37 3.98 0.23 0.99 1.43 -0.66 -4.79 118.68 119.48 3nek s LEU 374 Ca 0.00 1.40 0.00 0.00 -1.03 0.00 0.00 54.13 54.50 3nek s LEU 374 Cb 0.00 -4.23 0.00 0.00 0.03 0.00 0.00 46.19 41.99 3nek s LEU 374 CO 0.00 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 176.90 3nek n GLY 375 N -0.62 -2.30 3.79 -3.19 0.00 -1.26 -4.38 105.19 97.23 3nek n GLY 375 Ca 0.05 -1.31 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 3nek n GLY 375 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nek s ILE 376 N -2.62 5.40 0.29 -0.61 1.01 -1.26 -4.27 121.20 119.14 3nek s ILE 376 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.96 3nek s ILE 376 Cb 0.00 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.98 3nek s ILE 376 CO 0.00 0.50 0.00 -1.54 0.00 0.00 0.00 174.94 173.90 3nek n SER 377 N 2.86 -5.49 -0.19 3.58 3.41 -0.12 -4.50 113.62 113.16 3nek n SER 377 Ca -0.17 0.61 0.15 0.00 -0.26 0.00 0.00 58.87 59.20 3nek n SER 377 Cb 0.53 -2.93 0.72 0.00 -0.26 0.00 0.00 64.21 62.27 3nek n SER 377 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3nek n ASP 378 N -3.55 0.63 -4.48 4.04 5.75 -1.26 -4.72 116.55 112.96 3nek n ASP 378 Ca -0.02 -1.07 -0.32 0.00 -0.01 0.00 0.00 54.79 53.36 3nek n ASP 378 Cb 0.43 -0.02 -0.13 0.00 -1.03 0.00 0.00 41.12 40.37 3nek n ASP 378 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3nek s ARG 379 N -2.11 2.43 0.19 0.11 0.52 -1.26 -1.59 118.95 117.24 3nek s ARG 379 Ca 0.40 -0.74 -0.05 0.00 -0.52 0.00 0.00 55.73 54.82 3nek s ARG 379 Cb 0.21 -2.35 -0.03 0.00 0.52 0.00 0.00 34.95 33.30 3nek s ARG 379 CO 0.38 0.61 0.22 -0.59 0.02 0.00 0.00 175.30 175.94 3nek s PHE 380 N -0.78 0.80 -0.07 -0.53 -0.71 0.09 -4.62 117.98 112.17 3nek s PHE 380 Ca 0.12 -1.10 0.02 0.00 -1.04 0.00 0.00 56.93 54.93 3nek s PHE 380 Cb -0.11 -0.30 -0.03 0.00 -1.21 0.00 0.00 43.02 41.38 3nek s PHE 380 CO 0.02 -0.70 -0.11 0.20 -1.34 0.00 0.00 175.22 173.28 3nek s GLY 381 N -3.07 1.60 -0.21 1.99 0.00 0.46 0.37 107.32 108.46 3nek s GLY 381 Ca 0.29 -0.93 -0.04 0.00 0.00 0.00 0.00 44.72 44.04 3nek s GLY 381 CO 0.07 -0.66 0.21 -1.50 0.00 0.00 0.00 173.10 171.23 3nek s ILE 382 N -0.63 -0.31 0.18 0.90 2.07 -1.26 -0.70 121.20 121.45 3nek s ILE 382 Ca 0.09 -0.15 0.10 0.00 -1.41 0.00 0.00 60.65 59.28 3nek s ILE 382 Cb -0.11 -0.69 -0.04 0.00 0.13 0.00 0.00 42.46 41.74 3nek s ILE 382 CO 0.01 -0.24 -0.23 0.68 -1.91 0.00 0.00 174.94 173.26 3nek s VAL 383 N 2.31 2.17 -0.13 4.00 -7.23 -0.39 -5.01 120.40 116.12 3nek s VAL 383 Ca 0.07 -1.96 -0.29 0.00 -1.81 0.00 0.00 61.98 57.99 3nek s VAL 383 Cb -0.16 -2.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 3nek s VAL 383 CO -0.13 -0.15 1.11 -1.83 -0.31 0.00 0.00 175.10 173.78 3nek s GLU 384 N -2.61 4.34 0.41 4.82 -1.05 -1.26 -2.71 118.70 120.63 3nek s GLU 384 Ca 0.18 1.50 0.07 0.00 -0.15 0.00 0.00 54.97 56.58 3nek s GLU 384 Cb -0.08 -3.60 -0.06 0.00 -0.44 0.00 0.00 34.13 29.95 3nek s GLU 384 CO 0.08 -0.48 0.10 -2.00 0.95 0.00 0.00 175.26 173.92 3nek s GLU 385 N 2.54 2.11 0.44 -4.83 2.12 -1.05 -4.95 118.70 115.08 3nek s GLU 385 Ca 0.50 -1.94 0.17 0.00 0.36 0.00 0.00 54.97 54.06 3nek s GLU 385 Cb -0.20 -1.84 1.09 0.00 0.26 0.00 0.00 34.13 33.44 3nek s GLU 385 CO 0.16 -0.07 1.92 -0.91 -0.54 0.00 0.00 175.26 175.82 3nek h ASN 386 N 1.59 0.35 0.00 -1.70 2.35 -2.03 -3.37 115.58 112.77 3nek h ASN 386 Ca -0.43 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 3nek h ASN 386 Cb 1.25 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.57 3nek h ASN 386 CO 0.74 0.18 0.00 -0.90 -1.65 0.00 0.00 177.43 175.80 3nek n ASP 387 N -4.47 0.00 -4.47 5.81 3.85 -1.26 -5.13 116.55 110.88 3nek n ASP 387 Ca 0.14 0.00 -0.27 0.00 -0.71 0.00 0.00 54.79 53.95 3nek n ASP 387 Cb 0.55 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 40.23 3nek n ASP 387 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3nek s ARG 388 N -0.55 1.93 -0.15 0.11 3.03 -1.26 -3.82 118.95 118.24 3nek s ARG 388 Ca 0.00 -2.15 -0.03 0.00 2.03 0.00 0.00 55.73 55.58 3nek s ARG 388 Cb 0.00 -1.12 -0.03 0.00 -1.03 0.00 0.00 34.95 32.78 3nek s ARG 388 CO 0.00 -0.28 -0.05 0.42 -1.13 0.00 0.00 175.30 174.26 3nek s ILE 389 N -3.05 3.78 -0.18 4.99 -1.09 0.39 -2.54 121.20 123.50 3nek s ILE 389 Ca 0.25 -0.40 -0.14 0.00 -2.23 0.00 0.00 60.65 58.13 3nek s ILE 389 Cb 0.05 -2.65 -0.04 0.00 -1.58 0.00 0.00 42.46 38.24 3nek s ILE 389 CO 0.12 0.50 0.30 -0.75 -1.23 0.00 0.00 174.94 173.89 3nek s LYS 390 N 0.36 4.22 -0.12 2.79 2.20 -1.10 -2.25 119.74 125.84 3nek s LYS 390 Ca -0.05 0.08 0.03 0.00 -0.36 0.00 0.00 55.97 55.67 3nek s LYS 390 Cb -0.14 -3.47 0.01 0.00 -1.51 0.00 0.00 37.83 32.71 3nek s LYS 390 CO 0.03 0.14 -0.21 0.42 -0.36 0.00 0.00 175.35 175.37 3nek s ILE 391 N 0.76 1.94 -0.11 5.43 1.01 -0.64 -1.26 121.20 128.32 3nek s ILE 391 Ca 0.16 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.91 3nek s ILE 391 Cb -0.13 -1.70 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 3nek s ILE 391 CO 0.05 0.53 -0.20 -1.10 0.00 0.00 0.00 174.94 174.22 3nek s GLN 392 N 0.66 3.18 -0.03 2.79 -0.21 0.12 -1.12 119.66 125.06 3nek s GLN 392 Ca -0.12 -0.80 0.03 0.00 0.02 0.00 0.00 55.36 54.49 3nek s GLN 392 Cb -0.16 -2.44 -0.00 0.00 1.00 0.00 0.00 33.01 31.41 3nek s GLN 392 CO 0.02 0.18 -0.12 0.95 -2.12 0.00 0.00 175.29 174.21 3nek s THR 393 N 0.37 1.01 0.12 -0.19 -4.23 -0.87 -0.40 115.64 111.44 3nek s THR 393 Ca -0.15 -0.50 -0.31 0.00 -1.18 0.00 0.00 61.69 59.55 3nek s THR 393 Cb -0.17 -0.88 -0.09 0.00 1.34 0.00 0.00 72.50 72.71 3nek s THR 393 CO 0.07 0.30 1.50 -0.63 -0.54 0.00 0.00 174.62 175.33 3nek s ILE 394 N 0.06 3.03 0.46 2.99 1.01 -1.26 0.45 121.20 127.94 3nek s ILE 394 Ca -0.02 0.68 -0.21 0.00 0.00 0.00 0.00 60.65 61.11 3nek s ILE 394 Cb -0.09 -3.44 -0.09 0.00 0.01 0.00 0.00 42.46 38.85 3nek s ILE 394 CO 0.01 0.04 1.01 0.00 0.00 0.00 0.00 174.94 176.00 3nek h ALA 396 N 1.72 1.00 0.00 0.00 0.00 -1.95 -1.40 119.26 118.63 3nek h ALA 396 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3nek h ALA 396 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3nek h ALA 396 CO 0.60 0.00 0.00 -0.24 0.00 0.00 0.00 179.25 179.61 3nek h VAL 397 N 0.00 0.00 -0.35 0.00 3.04 -1.93 -0.84 116.25 116.18 3nek h VAL 397 Ca 0.00 -0.14 -0.09 0.00 -1.01 0.00 0.00 66.70 65.46 3nek h VAL 397 Cb 0.26 0.91 -0.01 0.00 -2.01 0.00 0.00 31.29 30.44 3nek h VAL 397 CO 0.00 0.00 -0.13 0.74 -1.01 0.00 0.00 177.57 177.17 3nek h THR 398 N 0.00 1.28 -0.16 3.17 2.02 -1.53 -1.22 112.91 116.47 3nek h THR 398 Ca 0.00 -1.23 -0.00 0.00 0.77 0.00 0.00 66.41 65.95 3nek h THR 398 Cb 0.17 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 3nek h THR 398 CO 0.00 0.40 0.09 -0.07 0.37 0.00 0.00 175.52 176.31 3nek h LEU 399 N 0.49 0.20 -1.19 2.58 3.38 -1.33 0.83 115.31 120.27 3nek h LEU 399 Ca 0.08 -0.08 0.23 0.00 0.09 0.00 0.00 57.88 58.21 3nek h LEU 399 Cb 0.66 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.25 3nek h LEU 399 CO 0.04 0.22 0.63 0.44 0.09 0.00 0.00 178.44 179.86 3nek h ASP 400 N 0.17 0.60 0.01 -0.43 3.32 -1.33 -0.80 116.42 117.95 3nek h ASP 400 Ca 0.06 0.10 -0.23 0.00 0.02 0.00 0.00 57.03 56.97 3nek h ASP 400 Cb 0.06 -0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.63 3nek h ASP 400 CO -0.01 0.15 -0.92 1.23 -1.72 0.00 0.00 179.24 177.97 3nek h GLY 401 N 0.55 0.69 0.89 2.75 0.00 -0.18 -2.77 103.07 104.99 3nek h GLY 401 Ca 0.59 -1.21 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 3nek h GLY 401 CO -0.35 1.07 0.05 -2.22 0.00 0.00 0.00 176.54 175.09 3nek h ILE 402 N 0.24 1.13 -0.83 2.60 2.04 -0.41 -2.50 117.51 119.78 3nek h ILE 402 Ca -0.12 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.41 3nek h ILE 402 Cb 1.59 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.79 3nek h ILE 402 CO 0.18 0.12 0.51 -0.26 0.00 0.00 0.00 178.15 178.70 3nek h PHE 403 N 0.05 0.95 -0.73 1.37 0.04 -1.24 -2.22 116.94 115.16 3nek h PHE 403 Ca 0.04 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.79 3nek h PHE 403 Cb 0.14 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 37.95 3nek h PHE 403 CO -0.02 0.49 0.26 1.25 -0.60 0.00 0.00 178.31 179.69 3nek h LEU 404 N 0.95 1.03 -1.90 1.54 5.85 -1.42 0.14 115.31 121.50 3nek h LEU 404 Ca 0.36 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.90 3nek h LEU 404 Cb 0.14 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3nek h LEU 404 CO -0.16 0.95 0.11 0.03 -0.34 0.00 0.00 178.44 179.03 3nek h ARG 405 N 1.06 0.13 -0.73 1.25 3.08 -0.95 -2.31 114.38 115.91 3nek h ARG 405 Ca 0.24 -0.01 -0.23 0.00 0.07 0.00 0.00 59.98 60.05 3nek h ARG 405 Cb 0.26 -0.03 -0.13 0.00 0.08 0.00 0.00 29.97 30.15 3nek h ARG 405 CO -0.01 0.08 0.27 0.09 -1.07 0.00 0.00 179.97 179.34 3nek n ASN 406 N -4.51 4.69 -2.41 7.04 3.02 -0.78 -4.92 115.26 117.38 3nek n ASN 406 Ca 0.00 -3.26 -0.18 0.00 -0.03 0.00 0.00 54.58 51.11 3nek n ASN 406 Cb 0.15 -0.74 0.02 0.00 -0.61 0.00 0.00 39.78 38.60 3nek n ASN 406 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3nek n SER 407 N -0.26 -5.27 -3.88 6.41 7.64 -0.87 -4.99 113.62 112.41 3nek n SER 407 Ca 0.41 -0.20 -0.30 0.00 1.01 0.00 0.00 58.87 59.80 3nek n SER 407 Cb 1.38 -4.15 -0.14 0.00 -1.01 0.00 0.00 64.21 60.29 3nek n SER 407 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3nek s VAL 408 N -3.03 2.19 -0.00 0.44 1.01 0.41 -5.01 120.40 116.41 3nek s VAL 408 Ca 0.20 -3.03 -0.30 0.00 0.00 0.00 0.00 61.98 58.86 3nek s VAL 408 Cb -0.09 -2.53 -0.07 0.00 0.00 0.00 0.00 36.38 33.68 3nek s VAL 408 CO 0.25 -0.82 1.80 -2.16 0.00 0.00 0.00 175.10 174.17 3nek s PRO 409 N -0.03 4.16 -0.17 2.72 0.04 -1.26 -3.20 135.00 137.26 3nek s PRO 409 Ca 0.17 2.39 -0.02 0.00 0.04 0.00 0.00 61.00 63.58 3nek s PRO 409 Cb -0.25 -4.04 -0.01 0.00 0.04 0.00 0.00 34.50 30.24 3nek s PRO 409 CO -0.00 -0.89 -0.09 -0.51 0.04 0.00 0.00 177.00 175.55 3nek s LEU 410 N 4.12 2.83 -0.31 -3.56 1.02 -1.26 -4.37 118.68 117.15 3nek s LEU 410 Ca 0.80 -0.34 -0.11 0.00 0.02 0.00 0.00 54.13 54.50 3nek s LEU 410 Cb -0.38 -1.68 -0.02 0.00 0.02 0.00 0.00 46.19 44.13 3nek s LEU 410 CO 0.35 0.08 0.19 -0.63 0.02 0.00 0.00 176.35 176.37 3nek s ILE 411 N 0.84 5.05 0.13 -0.59 -1.09 0.07 -4.91 121.20 120.70 3nek s ILE 411 Ca -0.03 -0.16 -0.31 0.00 -2.23 0.00 0.00 60.65 57.92 3nek s ILE 411 Cb -0.15 -3.53 -0.08 0.00 -1.58 0.00 0.00 42.46 37.13 3nek s ILE 411 CO 0.01 0.10 1.31 -2.84 -1.23 0.00 0.00 174.94 172.29 3nek s PRO 412 N 1.70 4.38 -0.02 2.79 0.02 -1.26 -0.52 135.00 142.09 3nek s PRO 412 Ca 0.06 1.99 -0.05 0.00 0.02 0.00 0.00 61.00 63.02 3nek s PRO 412 Cb -0.17 -3.25 -0.02 0.00 0.02 0.00 0.00 34.50 31.08 3nek s PRO 412 CO 0.09 -0.32 -0.11 1.63 -0.33 0.00 0.00 177.00 177.96 3nek n LYS 413 N 3.45 0.17 -4.01 5.54 4.76 0.82 -4.79 118.16 124.10 3nek n LYS 413 Ca 0.09 0.07 -0.11 0.00 -2.87 0.00 0.00 58.31 55.49 3nek n LYS 413 Cb 0.43 -0.80 -0.11 0.00 -1.84 0.00 0.00 35.03 32.71 3nek n LYS 413 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3nek s TYR 414 N -2.25 0.41 0.01 2.13 2.02 -0.96 -1.63 117.35 117.08 3nek s TYR 414 Ca -0.10 -0.50 0.08 0.00 -0.37 0.00 0.00 57.07 56.18 3nek s TYR 414 Cb 0.02 -0.27 -0.03 0.00 -0.40 0.00 0.00 41.96 41.29 3nek s TYR 414 CO 0.14 -0.14 -0.23 0.20 -1.57 0.00 0.00 175.55 173.95 3nek s GLY 415 N -1.45 1.41 0.00 0.71 0.00 -0.12 0.38 107.32 108.26 3nek s GLY 415 Ca -0.13 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.42 3nek s GLY 415 CO -0.00 -1.03 0.00 0.61 0.00 0.00 0.00 173.10 172.68 3nek n GLY 416 N 2.00 1.69 3.57 0.20 0.00 -0.06 -0.16 105.19 112.43 3nek n GLY 416 Ca -0.16 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 3nek n GLY 416 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nek s ILE 417 N -2.35 4.67 -0.22 -0.61 1.01 -0.27 -1.06 121.20 122.38 3nek s ILE 417 Ca 0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 60.65 60.50 3nek s ILE 417 Cb 0.00 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 3nek s ILE 417 CO 0.00 0.40 0.11 -0.22 0.00 0.00 0.00 174.94 175.23 3nek s LEU 418 N 0.91 3.95 -0.24 2.97 0.20 0.23 -1.42 118.68 125.29 3nek s LEU 418 Ca 0.04 0.08 -0.10 0.00 0.69 0.00 0.00 54.13 54.84 3nek s LEU 418 Cb -0.14 -2.04 -0.05 0.00 -0.43 0.00 0.00 46.19 43.54 3nek s LEU 418 CO 0.03 0.11 0.14 -0.70 -0.29 0.00 0.00 176.35 175.64 3nek s GLU 419 N 0.80 4.00 -0.38 1.98 2.12 0.50 -0.20 118.70 127.51 3nek s GLU 419 Ca 0.06 -0.31 0.02 0.00 0.36 0.00 0.00 54.97 55.10 3nek s GLU 419 Cb -0.13 -3.50 0.11 0.00 0.26 0.00 0.00 34.13 30.87 3nek s GLU 419 CO 0.02 0.02 0.13 0.42 -0.54 0.00 0.00 175.26 175.31 3nek s ILE 420 N 1.14 1.78 0.53 -3.70 1.09 0.09 -1.82 121.20 120.30 3nek s ILE 420 Ca 0.07 -2.26 0.08 0.00 -1.10 0.00 0.00 60.65 57.44 3nek s ILE 420 Cb -0.14 -2.30 0.05 0.00 -1.06 0.00 0.00 42.46 39.02 3nek s ILE 420 CO 0.05 -0.70 0.61 0.42 -0.10 0.00 0.00 174.94 175.22 3nek s THR 421 N 0.83 2.19 0.24 2.92 -4.23 -1.11 -4.63 115.64 111.85 3nek s THR 421 Ca 0.13 -1.17 -0.05 0.00 -1.18 0.00 0.00 61.69 59.42 3nek s THR 421 Cb -0.20 -2.36 0.20 0.00 1.34 0.00 0.00 72.50 71.48 3nek s THR 421 CO -0.10 0.00 1.80 -0.08 -0.54 0.00 0.00 174.62 175.70 3nek h GLU 422 N 0.49 0.72 0.09 3.99 4.81 -2.00 -3.31 114.58 119.37 3nek h GLU 422 Ca -0.34 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3nek h GLU 422 Cb 1.29 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3nek h GLU 422 CO 0.48 0.47 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.75 3nek h ASP 423 N 0.74 -0.11 -4.42 1.04 3.45 -2.02 -3.49 116.42 111.62 3nek h ASP 423 Ca 0.38 0.00 -0.46 0.00 0.43 0.00 0.00 57.03 57.38 3nek h ASP 423 Cb 0.36 0.03 -0.09 0.00 -0.56 0.00 0.00 39.33 39.07 3nek h ASP 423 CO -0.25 -0.02 -0.35 2.29 -1.57 0.00 0.00 179.24 179.33 3nek n LYS 424 N -2.62 0.94 -3.65 3.56 0.00 -1.25 -5.14 118.16 110.01 3nek n LYS 424 Ca -0.02 -2.68 -0.27 0.00 -0.00 0.00 0.00 58.31 55.35 3nek n LYS 424 Cb 0.05 0.97 -0.17 0.00 -0.00 0.00 0.00 35.03 35.89 3nek n LYS 424 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3nek s GLU 425 N -3.29 0.27 -0.05 -1.58 2.02 -1.26 -2.73 118.70 112.08 3nek s GLU 425 Ca 0.06 -0.22 -0.13 0.00 0.02 0.00 0.00 54.97 54.71 3nek s GLU 425 Cb 0.00 -1.91 0.02 0.00 0.10 0.00 0.00 34.13 32.35 3nek s GLU 425 CO 0.04 -0.67 0.29 -0.98 0.02 0.00 0.00 175.26 173.96 3nek s ARG 426 N 2.04 0.54 0.03 1.61 1.70 -0.76 -4.42 118.95 119.70 3nek s ARG 426 Ca 0.01 0.01 -0.30 0.00 -0.47 0.00 0.00 55.73 54.97 3nek s ARG 426 Cb -0.16 0.24 -0.05 0.00 -0.57 0.00 0.00 34.95 34.41 3nek s ARG 426 CO -0.10 -0.13 1.21 -0.06 -1.08 0.00 0.00 175.30 175.15 3nek s PHE 427 N -0.80 3.36 -0.13 5.89 0.08 0.16 -0.37 117.98 126.15 3nek s PHE 427 Ca -0.09 1.26 0.20 0.00 0.12 0.00 0.00 56.93 58.42 3nek s PHE 427 Cb -0.04 -3.43 -0.30 0.00 -0.57 0.00 0.00 43.02 38.67 3nek s PHE 427 CO 0.03 -1.34 0.49 0.44 -0.10 0.00 0.00 175.22 174.74 3nek n ILE 428 N 4.10 0.00 -3.67 0.64 -5.35 -0.51 -4.87 119.36 109.70 3nek n ILE 428 Ca 0.10 -0.41 -0.12 0.00 -0.27 0.00 0.00 62.75 62.04 3nek n ILE 428 Cb 0.46 0.15 -0.08 0.00 -1.74 0.00 0.00 39.64 38.43 3nek n ILE 428 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 3nek s ASP 429 N -4.16 -0.66 0.03 7.28 1.01 -1.25 -5.00 116.67 113.92 3nek s ASP 429 Ca -0.06 1.21 -0.02 0.00 0.71 0.00 0.00 52.55 54.40 3nek s ASP 429 Cb 0.13 1.19 -0.02 0.00 1.01 0.00 0.00 42.92 45.22 3nek s ASP 429 CO 0.84 -0.21 -0.00 0.27 0.21 0.00 0.00 175.17 176.28 3nek s ILE 430 N 0.67 0.14 -0.02 0.77 -4.36 -1.26 -1.11 121.20 116.03 3nek s ILE 430 Ca -0.03 -1.19 0.04 0.00 -0.26 0.00 0.00 60.65 59.21 3nek s ILE 430 Cb -0.05 -0.74 -0.01 0.00 1.25 0.00 0.00 42.46 42.91 3nek s ILE 430 CO -0.04 -0.66 -0.15 -0.63 0.24 0.00 0.00 174.94 173.70 3nek s ILE 431 N -2.37 1.17 0.09 8.37 1.01 0.78 -4.97 121.20 125.27 3nek s ILE 431 Ca -0.07 -0.62 -0.22 0.00 0.00 0.00 0.00 60.65 59.74 3nek s ILE 431 Cb -0.03 -0.99 -0.07 0.00 0.01 0.00 0.00 42.46 41.38 3nek s ILE 431 CO -0.04 0.34 0.66 -0.83 0.00 0.00 0.00 174.94 175.06 3nek s GLY 432 N -0.24 2.75 0.20 6.18 0.00 -1.26 -0.94 107.32 114.01 3nek s GLY 432 Ca 0.03 0.16 -0.05 0.00 0.00 0.00 0.00 44.72 44.86 3nek s GLY 432 CO -0.00 0.71 1.61 -0.97 0.00 0.00 0.00 173.10 174.45 3nek h TYR 433 N 4.77 0.93 -0.35 1.90 0.05 -1.62 -3.24 116.97 119.42 3nek h TYR 433 Ca -0.47 -0.22 0.04 0.00 0.05 0.00 0.00 58.73 58.13 3nek h TYR 433 Cb 1.21 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.71 3nek h TYR 433 CO 0.66 0.96 0.24 0.38 -1.05 0.00 0.00 178.16 179.35 3nek h ASP 434 N 0.71 0.27 0.00 3.88 2.03 -1.87 -2.75 116.42 118.69 3nek h ASP 434 Ca 0.10 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 3nek h ASP 434 Cb 0.75 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.19 3nek h ASP 434 CO 0.06 0.18 -0.05 0.61 -1.03 0.00 0.00 179.24 179.01 3nek n GLY 435 N -1.52 3.50 3.25 7.15 0.00 -1.25 -4.84 105.19 111.49 3nek n GLY 435 Ca 0.04 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 3nek n GLY 435 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nek s SER 436 N -2.02 2.37 -0.07 1.61 0.01 -1.18 -5.03 113.70 109.37 3nek s SER 436 Ca 0.18 -0.61 0.17 0.00 1.31 0.00 0.00 55.95 57.00 3nek s SER 436 Cb 0.16 -0.15 0.57 0.00 0.21 0.00 0.00 66.02 66.81 3nek s SER 436 CO 0.02 0.08 1.49 -1.54 0.41 0.00 0.00 173.24 173.69 3nek n SER 437 N 1.42 4.03 -4.58 2.44 3.41 -1.26 -0.12 113.62 118.96 3nek n SER 437 Ca -0.19 -2.33 -0.24 0.00 -0.26 0.00 0.00 58.87 55.85 3nek n SER 437 Cb 0.54 -0.47 -0.08 0.00 -0.26 0.00 0.00 64.21 63.93 3nek n SER 437 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3nek s LEU 438 N -1.62 2.98 -0.26 1.04 1.43 -1.26 -4.78 118.68 116.22 3nek s LEU 438 Ca 0.42 -0.73 -0.29 0.00 -1.03 0.00 0.00 54.13 52.51 3nek s LEU 438 Cb 0.26 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.95 3nek s LEU 438 CO 0.22 0.04 1.15 -0.62 0.23 0.00 0.00 176.35 177.36 3nek s ASP 439 N -3.42 6.93 0.46 2.29 -1.08 -1.26 -4.74 116.67 115.84 3nek s ASP 439 Ca 0.29 1.30 0.13 0.00 -0.52 0.00 0.00 52.55 53.75 3nek s ASP 439 Cb -0.07 -2.54 1.06 0.00 -1.46 0.00 0.00 42.92 39.92 3nek s ASP 439 CO 0.17 -0.84 2.05 -0.65 0.52 0.00 0.00 175.17 176.43 3nek h PRO 440 N 8.16 0.31 0.00 4.34 0.11 -1.92 -1.53 132.00 141.47 3nek h PRO 440 Ca -0.22 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3nek h PRO 440 Cb 1.08 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3nek h PRO 440 CO 1.01 0.21 0.00 0.45 -0.21 0.00 0.00 178.00 179.45 3nek h HIS 441 N 0.32 0.00 0.00 0.65 3.86 -1.91 -1.46 115.15 116.61 3nek h HIS 441 Ca 0.16 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.17 3nek h HIS 441 Cb 0.24 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 3nek h HIS 441 CO -0.00 0.00 -0.98 1.05 0.86 0.00 0.00 177.93 178.86 3nek h GLU 442 N 0.00 0.00 -0.20 2.45 4.11 -1.69 -2.37 114.58 116.88 3nek h GLU 442 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.23 3nek h GLU 442 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3nek h GLU 442 CO 0.00 0.98 -0.67 0.28 0.07 0.00 0.00 179.01 179.67 3nek h VAL 443 N 0.00 1.29 -0.23 -1.06 2.07 -1.26 -3.28 116.25 113.78 3nek h VAL 443 Ca -0.01 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.63 3nek h VAL 443 Cb 1.75 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 3nek h VAL 443 CO 0.13 0.60 0.00 0.49 0.02 0.00 0.00 177.57 178.81 3nek n PHE 444 N -3.95 0.28 -0.31 1.57 3.72 -0.61 -4.59 117.46 113.56 3nek n PHE 444 Ca -0.06 -0.14 0.07 0.00 -0.05 0.00 0.00 57.45 57.27 3nek n PHE 444 Cb 0.69 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 39.46 3nek n PHE 444 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 3nek h PHE 445 N 3.93 0.84 -0.00 1.38 3.57 -1.48 -2.63 116.94 122.55 3nek h PHE 445 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3nek h PHE 445 Cb 0.85 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.35 3nek h PHE 445 CO 0.14 0.23 -0.31 0.09 -2.23 0.00 0.00 178.31 176.24 3nek n ASN 446 N -4.82 0.42 -1.46 0.41 5.03 -1.26 -3.85 115.26 109.73 3nek n ASN 446 Ca 0.17 -0.16 0.08 0.00 0.87 0.00 0.00 54.58 55.54 3nek n ASN 446 Cb 0.42 0.01 0.34 0.00 -1.02 0.00 0.00 39.78 39.53 3nek n ASN 446 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 3nek n PHE 447 N -1.35 1.49 -4.89 3.10 3.72 -0.99 -4.93 117.46 113.60 3nek n PHE 447 Ca 0.08 -0.70 -0.28 0.00 -0.05 0.00 0.00 57.45 56.49 3nek n PHE 447 Cb 0.33 -0.33 -0.15 0.00 -0.94 0.00 0.00 39.48 38.39 3nek n PHE 447 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3nek s VAL 448 N -2.32 1.92 0.00 -4.37 1.01 -1.23 -5.00 120.40 110.41 3nek s VAL 448 Ca 0.48 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3nek s VAL 448 Cb 0.35 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 35.09 3nek s VAL 448 CO 0.17 0.35 0.48 -0.90 0.00 0.00 0.00 175.10 175.21 3nek n ASP 449 N 1.98 0.95 -4.37 3.32 5.75 -1.13 -5.03 116.55 118.02 3nek n ASP 449 Ca -0.17 -1.09 -0.38 0.00 -0.01 0.00 0.00 54.79 53.14 3nek n ASP 449 Cb 0.52 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.56 3nek n ASP 449 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3nek n GLU 451 N -4.26 0.00 -0.08 0.00 2.13 -1.26 -4.92 120.64 112.24 3nek n GLU 451 Ca 0.03 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.74 3nek n GLU 451 Cb 0.51 -0.25 -0.08 0.00 0.27 0.00 0.00 31.44 31.89 3nek n GLU 451 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3nek n LYS 452 N -2.21 0.50 -5.20 5.31 4.76 -1.26 -4.92 118.16 115.14 3nek n LYS 452 Ca 0.00 0.09 -0.31 0.00 -2.87 0.00 0.00 58.31 55.22 3nek n LYS 452 Cb 0.06 -1.32 -0.17 0.00 -1.84 0.00 0.00 35.03 31.76 3nek n LYS 452 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3nek s THR 453 N -2.32 1.97 0.04 -0.18 -4.23 -1.26 -0.73 115.64 108.93 3nek s THR 453 Ca -0.21 -1.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.32 3nek s THR 453 Cb 0.05 -1.68 -0.02 0.00 1.34 0.00 0.00 72.50 72.19 3nek s THR 453 CO 0.38 0.55 -0.10 -0.36 -0.54 0.00 0.00 174.62 174.55 3nek s PHE 454 N -0.01 0.87 0.26 3.99 0.40 0.71 -1.16 117.98 123.04 3nek s PHE 454 Ca -0.07 -0.39 -0.29 0.00 -0.60 0.00 0.00 56.93 55.58 3nek s PHE 454 Cb -0.15 -0.52 -0.09 0.00 0.51 0.00 0.00 43.02 42.77 3nek s PHE 454 CO 0.05 -0.02 1.14 -0.51 0.70 0.00 0.00 175.22 176.58 3nek s LEU 455 N -1.25 4.52 0.01 -0.37 1.43 -1.26 0.75 118.68 122.51 3nek s LEU 455 Ca -0.04 2.30 -0.21 0.00 -1.03 0.00 0.00 54.13 55.16 3nek s LEU 455 Cb -0.08 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.56 3nek s LEU 455 CO 0.01 -0.23 0.46 0.00 0.23 0.00 0.00 176.35 176.81 3nek s ALA 456 N -0.91 -1.15 0.14 4.21 0.00 -0.23 -0.70 121.76 123.12 3nek s ALA 456 Ca 0.47 0.57 0.07 0.00 0.00 0.00 0.00 51.96 53.07 3nek s ALA 456 Cb -0.33 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 3nek s ALA 456 CO 0.41 -0.39 -0.03 0.20 0.00 0.00 0.00 175.76 175.95 3nek s GLY 457 N -1.63 1.79 -0.17 0.00 0.00 -0.21 -0.88 107.32 106.22 3nek s GLY 457 Ca -0.09 -1.29 0.01 0.00 0.00 0.00 0.00 44.72 43.36 3nek s GLY 457 CO 0.02 -1.29 -0.20 -0.12 0.00 0.00 0.00 173.10 171.52 3nek s PHE 458 N -1.50 2.75 0.31 1.90 5.36 0.16 -1.44 117.98 125.52 3nek s PHE 458 Ca 0.25 -1.46 0.10 0.00 -0.96 0.00 0.00 56.93 54.86 3nek s PHE 458 Cb -0.10 -1.89 -0.05 0.00 -0.34 0.00 0.00 43.02 40.64 3nek s PHE 458 CO 0.17 -0.70 -0.04 1.03 -1.46 0.00 0.00 175.22 174.21 3nek s ARG 459 N 1.10 2.03 -0.05 10.12 3.00 0.16 -0.13 118.95 135.19 3nek s ARG 459 Ca 0.00 -1.68 0.04 0.00 0.00 0.00 0.00 55.73 54.09 3nek s ARG 459 Cb -0.14 -1.94 0.00 0.00 0.00 0.00 0.00 34.95 32.87 3nek s ARG 459 CO -0.08 0.24 -0.16 -1.21 0.00 0.00 0.00 175.30 174.08 3nek s GLU 460 N -3.66 1.83 0.08 3.54 2.02 0.32 -0.35 118.70 122.49 3nek s GLU 460 Ca 0.33 -0.58 0.09 0.00 0.02 0.00 0.00 54.97 54.82 3nek s GLU 460 Cb -0.03 -1.55 -0.03 0.00 0.10 0.00 0.00 34.13 32.62 3nek s GLU 460 CO 0.18 0.19 -0.23 0.54 0.02 0.00 0.00 175.26 175.97 3nek s VAL 461 N 0.18 1.85 0.49 2.63 0.11 -0.60 -0.75 120.40 124.30 3nek s VAL 461 Ca -0.07 -1.47 -0.22 0.00 -2.93 0.00 0.00 61.98 57.29 3nek s VAL 461 Cb -0.13 -1.64 -0.07 0.00 -1.53 0.00 0.00 36.38 33.01 3nek s VAL 461 CO 0.03 0.09 1.19 -2.28 -3.33 0.00 0.00 175.10 170.80 3nek s HIS 462 N -1.00 2.76 0.37 1.54 2.46 -1.26 0.05 115.29 120.22 3nek s HIS 462 Ca 0.09 1.52 0.11 0.00 0.47 0.00 0.00 55.06 57.24 3nek s HIS 462 Cb -0.10 -3.42 0.72 0.00 -0.13 0.00 0.00 32.58 29.65 3nek s HIS 462 CO 0.04 -1.71 1.85 0.07 -2.47 0.00 0.00 174.74 172.52 3nek h ARG 463 N 1.82 0.12 -0.24 2.88 0.11 -1.87 -2.25 114.38 114.96 3nek h ARG 463 Ca -0.50 -0.04 -0.14 0.00 0.10 0.00 0.00 59.98 59.40 3nek h ARG 463 Cb 1.26 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 3nek h ARG 463 CO 0.59 0.40 -0.43 0.28 0.10 0.00 0.00 179.97 180.91 3nek h VAL 464 N 0.11 1.30 0.00 0.08 2.07 -1.92 -2.98 116.25 114.91 3nek h VAL 464 Ca 0.02 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.92 3nek h VAL 464 Cb 0.57 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 3nek h VAL 464 CO 0.04 0.51 0.00 0.00 0.02 0.00 0.00 177.57 178.14 3nek n ALA 465 N -2.51 2.06 -0.08 1.67 0.00 -0.88 -3.82 120.51 116.96 3nek n ALA 465 Ca -0.02 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.39 3nek n ALA 465 Cb 0.54 -1.40 0.36 0.00 0.00 0.00 0.00 19.45 18.95 3nek n ALA 465 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3nek h ARG 466 N 0.00 0.71 -0.10 0.00 1.12 -1.31 -0.99 114.38 113.81 3nek h ARG 466 Ca 0.00 -0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 58.80 3nek h ARG 466 Cb 0.46 -0.16 -0.00 0.00 -0.01 0.00 0.00 29.97 30.25 3nek h ARG 466 CO 0.00 0.47 -0.04 0.93 -3.11 0.00 0.00 179.97 178.22 3nek h GLU 467 N 0.73 0.20 -0.63 0.20 5.08 -1.77 -2.66 114.58 115.73 3nek h GLU 467 Ca 0.20 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3nek h GLU 467 Cb -0.08 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3nek h GLU 467 CO -0.04 0.54 0.42 -0.22 -1.00 0.00 0.00 179.01 178.70 3nek h LYS 468 N -0.15 0.81 -0.32 2.33 1.63 -1.73 -2.41 116.57 116.73 3nek h LYS 468 Ca 0.02 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.79 3nek h LYS 468 Cb 0.48 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 3nek h LYS 468 CO 0.01 0.54 0.17 1.25 -3.45 0.00 0.00 179.45 177.97 3nek h LEU 469 N 0.84 0.26 -0.89 5.20 6.46 -1.01 -0.37 115.31 125.79 3nek h LEU 469 Ca 0.23 0.01 -0.11 0.00 -0.12 0.00 0.00 57.88 57.89 3nek h LEU 469 Cb -0.08 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 3nek h LEU 469 CO -0.05 0.19 -0.38 -0.33 -0.62 0.00 0.00 178.44 177.25 3nek h GLU 470 N 0.35 0.35 -0.22 1.25 5.08 -1.15 -0.58 114.58 119.66 3nek h GLU 470 Ca 0.13 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3nek h GLU 470 Cb 0.03 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3nek h GLU 470 CO -0.08 0.68 -0.05 1.49 -1.00 0.00 0.00 179.01 180.04 3nek h GLU 471 N 0.29 0.42 -0.51 2.33 4.22 -1.12 -1.82 114.58 118.40 3nek h GLU 471 Ca 0.03 -0.16 -0.10 0.00 0.08 0.00 0.00 59.36 59.21 3nek h GLU 471 Cb 0.81 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 3nek h GLU 471 CO 0.06 0.66 -0.07 0.28 -2.18 0.00 0.00 179.01 177.76 3nek h VAL 472 N 0.15 1.26 -0.48 0.32 2.07 -0.97 -2.47 116.25 116.14 3nek h VAL 472 Ca 0.06 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 3nek h VAL 472 Cb 0.51 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3nek h VAL 472 CO 0.02 0.42 0.17 0.25 0.02 0.00 0.00 177.57 178.45 3nek h LEU 473 N 0.83 0.67 -0.55 2.57 5.85 -1.08 -0.33 115.31 123.27 3nek h LEU 473 Ca 0.14 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3nek h LEU 473 Cb 0.60 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3nek h LEU 473 CO 0.04 0.68 0.27 0.50 -0.34 0.00 0.00 178.44 179.59 3nek h LYS 474 N 0.63 0.79 -0.44 1.25 1.63 -1.20 -1.28 116.57 117.95 3nek h LYS 474 Ca 0.16 -0.11 -0.08 0.00 -0.85 0.00 0.00 60.65 59.76 3nek h LYS 474 Cb 0.23 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 3nek h LYS 474 CO -0.01 0.64 -0.05 0.87 -3.45 0.00 0.00 179.45 177.46 3nek h LYS 475 N 0.74 0.75 -0.73 1.90 1.57 -1.35 -3.06 116.57 116.39 3nek h LYS 475 Ca 0.19 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3nek h LYS 475 Cb 0.11 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3nek h LYS 475 CO -0.03 0.79 0.24 1.25 -0.57 0.00 0.00 179.45 181.14 3nek h LEU 476 N 0.69 1.06 -2.51 2.94 5.85 -0.58 -3.48 115.31 119.28 3nek h LEU 476 Ca 0.13 -0.20 -0.38 0.00 0.84 0.00 0.00 57.88 58.26 3nek h LEU 476 Cb 0.50 -0.28 0.10 0.00 0.37 0.00 0.00 40.66 41.35 3nek h LEU 476 CO 0.03 0.98 -0.88 -3.20 -0.34 0.00 0.00 178.44 175.02 3nek n ASN 477 N -4.28 -4.12 -4.17 1.25 5.15 -0.53 -5.01 115.26 103.56 3nek n ASN 477 Ca 0.06 -0.87 -0.24 0.00 -0.60 0.00 0.00 54.58 52.92 3nek n ASN 477 Cb 0.22 -4.06 -0.15 0.00 -0.53 0.00 0.00 39.78 35.26 3nek n ASN 477 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 3nek s TRP 478 N -3.52 1.54 0.42 1.20 0.52 -1.26 -4.93 118.94 112.90 3nek s TRP 478 Ca 0.30 -0.31 -0.25 0.00 0.02 0.00 0.00 56.10 55.86 3nek s TRP 478 Cb -0.08 -0.97 -0.08 0.00 -1.15 0.00 0.00 33.47 31.19 3nek s TRP 478 CO 0.82 0.00 1.24 1.21 0.02 0.00 0.00 176.95 180.23 3nek s ASN 479 N -0.61 6.28 0.00 2.95 2.47 -1.26 -4.57 114.94 120.21 3nek s ASN 479 Ca 0.06 2.49 0.00 0.00 0.42 0.00 0.00 52.86 55.84 3nek s ASN 479 Cb -0.07 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 3nek s ASN 479 CO -0.00 -0.85 0.00 0.61 -3.72 0.00 0.00 177.10 173.14 3nek n GLY 480 N 0.63 3.34 3.67 1.21 0.00 -1.26 -0.95 105.19 111.83 3nek n GLY 480 Ca 0.05 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 3nek n GLY 480 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nek s ILE 481 N 0.00 5.00 -0.13 -0.61 1.09 -1.26 -4.44 121.20 120.84 3nek s ILE 481 Ca 0.00 1.30 0.14 0.00 -1.10 0.00 0.00 60.65 60.99 3nek s ILE 481 Cb 0.00 -3.99 -0.24 0.00 -1.06 0.00 0.00 42.46 37.17 3nek s ILE 481 CO 0.00 0.11 0.31 1.17 -0.10 0.00 0.00 174.94 176.44 3nek n LYS 482 N 4.91 0.67 -3.52 2.79 3.00 0.39 -5.00 118.16 121.40 3nek n LYS 482 Ca -0.00 0.14 -0.16 0.00 -0.00 0.00 0.00 58.31 58.29 3nek n LYS 482 Cb 0.50 -1.64 -0.05 0.00 0.00 0.00 0.00 35.03 33.83 3nek n LYS 482 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3nek s ALA 483 N -2.54 -1.60 -0.12 3.14 0.00 -1.17 -5.01 121.76 114.46 3nek s ALA 483 Ca -0.10 0.94 -0.01 0.00 0.00 0.00 0.00 51.96 52.79 3nek s ALA 483 Cb 0.07 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.50 3nek s ALA 483 CO 0.81 -0.48 -0.03 0.42 0.00 0.00 0.00 175.76 176.48 3nek s ILE 484 N -2.03 0.75 0.58 0.00 1.01 -1.26 -1.60 121.20 118.65 3nek s ILE 484 Ca -0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 3nek s ILE 484 Cb -0.01 -0.92 0.03 0.00 0.01 0.00 0.00 42.46 41.57 3nek s ILE 484 CO 0.02 0.19 0.85 -0.83 0.00 0.00 0.00 174.94 175.17 3nek s GLY 485 N 1.80 1.71 0.55 6.18 0.00 0.09 -5.00 107.32 112.65 3nek s GLY 485 Ca 0.03 -1.06 -0.16 0.00 0.00 0.00 0.00 44.72 43.52 3nek s GLY 485 CO -0.07 -0.77 1.02 -0.54 0.00 0.00 0.00 173.10 172.74 3nek s GLU 486 N -4.90 3.67 0.20 2.90 0.41 -1.26 -4.31 118.70 115.40 3nek s GLU 486 Ca 0.56 1.08 -0.33 0.00 -0.41 0.00 0.00 54.97 55.88 3nek s GLU 486 Cb -0.10 -2.09 -0.14 0.00 -1.78 0.00 0.00 34.13 30.01 3nek s GLU 486 CO 0.41 -0.51 1.38 -2.30 -0.49 0.00 0.00 175.26 173.75 3nek n PRO 487 N -1.74 1.79 -1.03 0.39 -0.02 -1.26 -2.08 135.00 131.05 3nek n PRO 487 Ca 0.08 0.64 -0.01 0.00 -2.02 0.00 0.00 63.50 62.19 3nek n PRO 487 Cb 0.53 -2.28 -0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3nek n PRO 487 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3nek n ASN 488 N 2.39 -4.82 -4.86 2.55 3.02 -1.26 -4.99 115.26 107.28 3nek n ASN 488 Ca 0.14 0.02 -0.36 0.00 -0.03 0.00 0.00 54.58 54.36 3nek n ASN 488 Cb 0.28 -2.40 -0.06 0.00 -0.61 0.00 0.00 39.78 36.99 3nek n ASN 488 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3nek s ASN 489 N -2.06 6.25 0.23 6.41 -0.87 -0.89 -4.79 114.94 119.22 3nek s ASN 489 Ca 0.00 0.39 -0.32 0.00 -1.57 0.00 0.00 52.86 51.36 3nek s ASN 489 Cb 0.00 -1.98 -0.12 0.00 -0.02 0.00 0.00 41.25 39.13 3nek s ASN 489 CO 0.00 0.36 1.67 -0.62 -2.57 0.00 0.00 177.10 175.94 3nek n GLU 490 N 1.65 2.69 -3.92 -0.60 -0.58 -1.26 -4.34 120.64 114.28 3nek n GLU 490 Ca -0.17 0.97 -0.28 0.00 -0.42 0.00 0.00 57.16 57.26 3nek n GLU 490 Cb 0.54 -2.79 -0.17 0.00 -0.57 0.00 0.00 31.44 28.46 3nek n GLU 490 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3nek s LEU 491 N 0.71 1.39 -1.26 -4.62 0.20 -0.48 -4.80 118.68 109.82 3nek s LEU 491 Ca 0.72 -0.43 -0.06 0.00 0.69 0.00 0.00 54.13 55.05 3nek s LEU 491 Cb -0.52 -0.92 0.04 0.00 -0.43 0.00 0.00 46.19 44.36 3nek s LEU 491 CO 0.37 -0.13 0.36 -1.22 -0.29 0.00 0.00 176.35 175.45 3nek n TYR 492 N 4.90 -1.71 0.00 5.38 4.02 -1.26 -1.64 117.16 126.85 3nek n TYR 492 Ca -0.13 0.34 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 3nek n TYR 492 Cb 0.49 -3.14 0.00 0.00 -0.02 0.00 0.00 39.34 36.68 3nek n TYR 492 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3nek n GLY 493 N -1.12 0.88 3.66 2.72 0.00 -1.26 -0.67 105.19 109.40 3nek n GLY 493 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 3nek n GLY 493 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nek s ILE 494 N -2.26 5.16 0.50 -0.61 1.01 -0.65 -5.00 121.20 119.35 3nek s ILE 494 Ca 0.00 0.11 -0.17 0.00 0.00 0.00 0.00 60.65 60.58 3nek s ILE 494 Cb 0.00 -3.38 -0.08 0.00 0.01 0.00 0.00 42.46 39.01 3nek s ILE 494 CO 0.00 0.40 0.98 -0.83 0.00 0.00 0.00 174.94 175.49 3nek s GLY 495 N 0.74 2.14 0.33 6.18 0.00 -1.26 -1.38 107.32 114.07 3nek s GLY 495 Ca 0.06 0.24 0.09 0.00 0.00 0.00 0.00 44.72 45.11 3nek s GLY 495 CO 0.02 0.52 0.08 -1.34 0.00 0.00 0.00 173.10 172.38 3nek s VAL 496 N -2.52 2.99 1.00 1.40 -7.23 -1.26 -4.95 120.40 109.82 3nek s VAL 496 Ca 0.60 -1.81 -0.15 0.00 -1.81 0.00 0.00 61.98 58.81 3nek s VAL 496 Cb -0.10 -2.91 0.19 0.00 0.56 0.00 0.00 36.38 34.12 3nek s VAL 496 CO 0.28 -0.22 1.17 0.21 -0.31 0.00 0.00 175.10 176.23 3nek s ASN 497 N -3.78 2.77 -0.16 4.85 2.47 -1.26 -4.92 114.94 114.91 3nek s ASN 497 Ca 0.36 0.72 -0.29 0.00 0.42 0.00 0.00 52.86 54.07 3nek s ASN 497 Cb -0.02 -1.10 -0.04 0.00 -1.45 0.00 0.00 41.25 38.63 3nek s ASN 497 CO 0.21 -2.99 1.81 -0.75 -3.72 0.00 0.00 177.10 171.67 3nek s LYS 498 N -5.45 3.74 -0.29 0.43 2.20 -1.26 -4.62 119.74 114.50 3nek s LYS 498 Ca 0.68 1.95 -0.00 0.00 -0.36 0.00 0.00 55.97 58.23 3nek s LYS 498 Cb -0.11 -4.13 -0.00 0.00 -1.51 0.00 0.00 37.83 32.08 3nek s LYS 498 CO 0.54 -1.38 0.27 -0.25 -0.36 0.00 0.00 175.35 174.17 3nek n ASP 499 N 8.89 -4.08 -3.66 1.43 8.00 -1.26 -5.05 116.55 120.82 3nek n ASP 499 Ca 0.21 -0.06 -0.08 0.00 0.71 0.00 0.00 54.79 55.57 3nek n ASP 499 Cb 0.44 -2.54 -0.08 0.00 -0.02 0.00 0.00 41.12 38.92 3nek n ASP 499 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3nek s GLY 502 N 1.52 2.29 -0.20 0.00 0.00 -1.26 -1.56 107.32 108.10 3nek s GLY 502 Ca -0.10 0.97 0.01 0.00 0.00 0.00 0.00 44.72 45.60 3nek s GLY 502 CO -0.17 2.13 -0.15 0.14 0.00 0.00 0.00 173.10 175.05 3nek s VAL 503 N 0.91 1.93 -0.32 1.40 1.01 0.53 -0.73 120.40 125.13 3nek s VAL 503 Ca 0.60 -1.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.35 3nek s VAL 503 Cb -0.33 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3nek s VAL 503 CO 0.31 0.29 0.25 -0.69 0.00 0.00 0.00 175.10 175.27 3nek s VAL 504 N 1.29 5.27 0.00 2.92 1.01 -0.63 0.40 120.40 130.66 3nek s VAL 504 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.99 3nek s VAL 504 Cb -0.16 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3nek s VAL 504 CO -0.10 0.07 0.00 0.35 0.00 0.00 0.00 175.10 175.43 3nek n THR 505 N 5.11 0.00 -4.78 3.92 -2.24 -0.52 -0.46 114.28 115.32 3nek n THR 505 Ca -0.12 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 3nek n THR 505 Cb 0.50 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.61 3nek n THR 505 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3nek s GLY 507 N 0.00 1.58 0.32 3.38 0.00 0.12 -1.05 107.32 111.68 3nek s GLY 507 Ca 0.00 -0.93 0.06 0.00 0.00 0.00 0.00 44.72 43.85 3nek s GLY 507 CO 0.00 -0.58 1.78 -1.33 0.00 0.00 0.00 173.10 172.97 3nek h GLY 508 N 5.69 0.33 -1.83 0.20 0.00 -1.88 -3.04 103.07 102.54 3nek h GLY 508 Ca -0.42 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.65 3nek h GLY 508 CO 0.53 0.24 0.00 0.29 0.00 0.00 0.00 176.54 177.60 3nek n ILE 509 N -4.13 0.91 -0.25 2.60 -5.35 -1.26 -4.27 119.36 107.60 3nek n ILE 509 Ca -0.01 -0.62 -0.05 0.00 -0.27 0.00 0.00 62.75 61.80 3nek n ILE 509 Cb 0.39 0.01 0.05 0.00 -1.74 0.00 0.00 39.64 38.35 3nek n ILE 509 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 3nek h ASN 510 N 2.27 0.84 0.03 7.28 2.35 -1.89 -2.39 115.58 124.07 3nek h ASN 510 Ca 0.00 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3nek h ASN 510 Cb 0.84 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 3nek h ASN 510 CO 0.11 0.65 -0.02 -0.65 -1.65 0.00 0.00 177.43 175.87 3nek h PRO 511 N 0.96 0.00 0.00 0.81 0.11 -1.85 -1.63 132.00 130.40 3nek h PRO 511 Ca 0.25 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.26 3nek h PRO 511 Cb -0.04 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 3nek h PRO 511 CO -0.05 0.02 -0.51 -0.07 -0.21 0.00 0.00 178.00 177.18 3nek h LEU 512 N 0.00 0.00 -0.61 2.35 3.38 -1.74 -3.03 115.31 115.66 3nek h LEU 512 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3nek h LEU 512 Cb 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3nek h LEU 512 CO 0.00 0.51 0.38 0.58 0.09 0.00 0.00 178.44 180.00 3nek h VAL 513 N 0.00 1.09 0.00 1.22 2.07 -1.14 -2.52 116.25 116.97 3nek h VAL 513 Ca -0.01 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3nek h VAL 513 Cb 0.95 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3nek h VAL 513 CO 0.07 0.14 -0.11 0.25 0.02 0.00 0.00 177.57 177.93 3nek h LEU 514 N 0.75 0.00 -0.06 2.57 5.85 -1.51 -0.13 115.31 122.79 3nek h LEU 514 Ca 0.24 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 3nek h LEU 514 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3nek h LEU 514 CO -0.09 0.11 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.02 3nek h LEU 515 N 0.00 0.12 -0.63 2.25 3.38 -1.49 -1.87 115.31 117.07 3nek h LEU 515 Ca -0.00 -0.40 0.08 0.00 0.09 0.00 0.00 57.88 57.66 3nek h LEU 515 Cb 0.20 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 3nek h LEU 515 CO 0.01 0.49 0.28 0.50 0.09 0.00 0.00 178.44 179.81 3nek h LYS 516 N -0.25 0.48 0.00 1.13 3.64 -1.20 0.19 116.57 120.55 3nek h LYS 516 Ca 0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3nek h LYS 516 Cb 0.44 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3nek h LYS 516 CO 0.01 0.32 0.00 0.93 -2.27 0.00 0.00 179.45 178.43 3nek h GLU 517 N 0.49 0.00 -0.70 1.90 4.39 -0.98 -1.11 114.58 118.58 3nek h GLU 517 Ca 0.31 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.61 3nek h GLU 517 Cb 0.33 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 28.75 3nek h GLU 517 CO -0.27 0.00 0.25 0.09 -1.16 0.00 0.00 179.01 177.92 3nek n ASN 518 N -2.82 3.79 -2.85 1.42 3.02 -0.71 -4.96 115.26 112.15 3nek n ASN 518 Ca 0.00 -3.73 -0.21 0.00 -0.03 0.00 0.00 54.58 50.61 3nek n ASN 518 Cb 0.22 -0.73 0.01 0.00 -0.61 0.00 0.00 39.78 38.67 3nek n ASN 518 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3nek n GLU 519 N -1.08 -3.52 -3.37 3.52 1.02 -0.42 -4.96 120.64 111.83 3nek n GLU 519 Ca 0.48 0.81 -0.45 0.00 -0.02 0.00 0.00 57.16 57.98 3nek n GLU 519 Cb 1.21 -5.57 -0.07 0.00 -0.02 0.00 0.00 31.44 26.99 3nek n GLU 519 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3nek s ILE 520 N -3.02 5.21 -0.11 -3.67 -1.09 0.58 -4.99 121.20 114.11 3nek s ILE 520 Ca 0.21 -1.19 -0.29 0.00 -2.23 0.00 0.00 60.65 57.14 3nek s ILE 520 Cb -0.10 -4.18 -0.05 0.00 -1.58 0.00 0.00 42.46 36.56 3nek s ILE 520 CO 0.26 -0.66 1.76 -2.16 -1.23 0.00 0.00 174.94 172.91 3nek s PRO 521 N 1.63 3.94 -0.24 2.79 0.04 -1.26 -3.35 135.00 138.54 3nek s PRO 521 Ca 0.04 2.09 -0.10 0.00 0.04 0.00 0.00 61.00 63.07 3nek s PRO 521 Cb -0.26 -4.08 -0.05 0.00 0.04 0.00 0.00 34.50 30.16 3nek s PRO 521 CO 0.06 -1.15 0.14 0.42 0.04 0.00 0.00 177.00 176.52 3nek s ILE 522 N 4.95 5.19 -0.41 0.56 1.01 -1.26 -4.67 121.20 126.56 3nek s ILE 522 Ca 0.79 0.12 -0.15 0.00 0.00 0.00 0.00 60.65 61.40 3nek s ILE 522 Cb -0.32 -3.42 0.02 0.00 0.01 0.00 0.00 42.46 38.74 3nek s ILE 522 CO 0.32 0.34 0.33 -0.70 0.00 0.00 0.00 174.94 175.24 3nek s GLU 523 N 1.14 3.03 -0.30 2.79 2.12 -0.99 -5.04 118.70 121.45 3nek s GLU 523 Ca 0.07 -0.94 -0.01 0.00 0.36 0.00 0.00 54.97 54.45 3nek s GLU 523 Cb -0.14 -3.97 0.05 0.00 0.26 0.00 0.00 34.13 30.33 3nek s GLU 523 CO 0.05 -0.76 -0.01 -0.48 -0.54 0.00 0.00 175.26 173.52 3nek s LEU 524 N 1.79 3.84 0.69 2.70 2.34 -1.26 -2.02 118.68 126.76 3nek s LEU 524 Ca 0.07 -1.29 -0.09 0.00 0.06 0.00 0.00 54.13 52.87 3nek s LEU 524 Cb -0.18 -1.69 0.03 0.00 -0.56 0.00 0.00 46.19 43.78 3nek s LEU 524 CO 0.11 -0.25 1.04 -0.54 -1.06 0.00 0.00 176.35 175.65 3nek s LYS 525 N 1.23 2.68 -0.21 1.48 1.02 -1.26 -5.09 119.74 119.58 3nek s LYS 525 Ca -0.06 0.20 -0.27 0.00 0.02 0.00 0.00 55.97 55.86 3nek s LYS 525 Cb -0.20 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 3nek s LYS 525 CO -0.02 -1.04 0.95 0.00 -0.92 0.00 0.00 175.35 174.32 3nek s ALA 526 N -3.27 3.63 0.00 5.17 0.00 -1.26 -4.88 121.76 121.15 3nek s ALA 526 Ca 0.58 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.62 3nek s ALA 526 Cb -0.11 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3nek s ALA 526 CO 0.49 -0.92 0.00 0.72 0.00 0.00 0.00 175.76 176.04 3nek n HIS 528 N 5.97 0.00 -4.22 0.00 8.25 -1.26 -5.07 115.22 118.89 3nek n HIS 528 Ca 0.09 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.35 3nek n HIS 528 Cb 0.47 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.46 3nek n HIS 528 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3nek s GLU 529 N -1.10 0.94 -0.26 -0.41 2.02 -0.76 -4.97 118.70 114.16 3nek s GLU 529 Ca 0.00 -1.07 -0.19 0.00 0.02 0.00 0.00 54.97 53.73 3nek s GLU 529 Cb 0.00 -0.99 -0.02 0.00 0.10 0.00 0.00 34.13 33.21 3nek s GLU 529 CO 0.00 0.22 0.59 0.08 0.02 0.00 0.00 175.26 176.17 3nek s VAL 530 N -1.42 5.01 0.17 2.63 1.01 -1.26 -1.16 120.40 125.39 3nek s VAL 530 Ca 0.02 1.02 0.05 0.00 0.00 0.00 0.00 61.98 63.07 3nek s VAL 530 Cb -0.09 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 3nek s VAL 530 CO 0.03 0.03 -0.09 0.68 0.00 0.00 0.00 175.10 175.75 3nek s VAL 531 N 2.45 1.27 -0.08 2.92 -7.23 -0.78 -4.95 120.40 114.00 3nek s VAL 531 Ca 0.24 -2.09 -0.28 0.00 -1.81 0.00 0.00 61.98 58.04 3nek s VAL 531 Cb -0.15 -1.98 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 3nek s VAL 531 CO 0.09 -0.64 0.94 -0.60 -0.31 0.00 0.00 175.10 174.58 3nek s ARG 532 N -3.75 4.45 0.45 4.82 6.06 -1.26 -0.04 118.95 129.68 3nek s ARG 532 Ca 0.20 1.29 0.23 0.00 -2.50 0.00 0.00 55.73 54.95 3nek s ARG 532 Cb 0.02 -3.51 1.22 0.00 0.06 0.00 0.00 34.95 32.75 3nek s ARG 532 CO 0.03 -0.19 1.83 0.35 -2.50 0.00 0.00 175.30 174.82 3nek h PHE 533 N 7.00 0.41 0.00 5.12 3.57 -1.33 -1.14 116.94 130.57 3nek h PHE 533 Ca -0.35 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.11 3nek h PHE 533 Cb 1.17 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 3nek h PHE 533 CO 0.70 0.07 -0.27 0.77 -2.23 0.00 0.00 178.31 177.35 3nek h SER 534 N 0.28 0.00 0.71 0.41 0.02 -1.92 -2.83 113.55 110.22 3nek h SER 534 Ca 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 3nek h SER 534 Cb 1.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.06 3nek h SER 534 CO -0.16 0.27 -0.01 0.47 -1.14 0.00 0.00 176.83 176.25 3nek n ASP 535 N -3.98 0.03 -4.88 3.07 8.00 -0.43 -4.80 116.55 113.56 3nek n ASP 535 Ca -0.02 0.06 -0.30 0.00 0.71 0.00 0.00 54.79 55.24 3nek n ASP 535 Cb 0.34 -0.34 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 3nek n ASP 535 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3nek s LEU 536 N -2.72 3.97 -0.14 0.64 1.43 -1.07 -4.95 118.68 115.83 3nek s LEU 536 Ca 0.23 1.00 -0.10 0.00 -1.03 0.00 0.00 54.13 54.24 3nek s LEU 536 Cb 0.20 -3.84 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 3nek s LEU 536 CO 0.49 -0.28 0.19 -0.75 0.23 0.00 0.00 176.35 176.23 3nek s LYS 537 N -3.53 3.85 0.48 1.70 2.20 0.16 -4.83 119.74 119.77 3nek s LYS 537 Ca 0.49 -0.07 -0.19 0.00 -0.36 0.00 0.00 55.97 55.85 3nek s LYS 537 Cb -0.11 -3.30 -0.09 0.00 -1.51 0.00 0.00 37.83 32.82 3nek s LYS 537 CO 0.28 0.54 0.98 0.45 -0.36 0.00 0.00 175.35 177.23 3nek s SER 538 N -0.38 6.71 0.00 1.43 0.15 -1.26 -0.73 113.70 119.63 3nek s SER 538 Ca 0.14 1.65 0.27 0.00 0.70 0.00 0.00 55.95 58.72 3nek s SER 538 Cb -0.12 -2.53 1.46 0.00 -1.71 0.00 0.00 66.02 63.12 3nek s SER 538 CO 0.03 -0.52 1.96 0.00 1.20 0.00 0.00 173.24 175.91 3nek n TYR 539 N -1.15 0.00 1.08 3.44 4.11 -0.62 -4.94 117.16 119.08 3nek n TYR 539 Ca 0.07 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.09 3nek n TYR 539 Cb 0.54 -0.20 0.16 0.00 -0.00 0.00 0.00 39.34 39.84 3nek n TYR 539 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49