#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hkx n ILE 338 N 0.00 1.84 1.74 12.58 -5.35 -1.26 -4.08 119.36 124.83 1hkx n ILE 338 Ca 0.00 -0.60 0.01 0.00 -0.27 0.00 0.00 62.75 61.89 1hkx n ILE 338 Cb 0.00 -1.23 0.07 0.00 -1.74 0.00 0.00 39.64 36.73 1hkx n ILE 338 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 1hkx n GLU 339 N 0.79 0.87 -0.36 6.28 0.28 -1.26 -3.66 120.64 123.58 1hkx n GLU 339 Ca 0.09 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.07 1hkx n GLU 339 Cb 0.58 -1.04 0.01 0.00 1.43 0.00 0.00 31.44 32.42 1hkx n GLU 339 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1hkx n ASP 340 N -0.54 4.56 0.01 -1.84 8.00 -1.26 -3.47 116.55 122.01 1hkx n ASP 340 Ca 0.02 -2.32 0.06 0.00 0.71 0.00 0.00 54.79 53.26 1hkx n ASP 340 Cb 0.01 -0.90 -0.12 0.00 -0.02 0.00 0.00 41.12 40.09 1hkx n ASP 340 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1hkx n GLU 341 N 1.04 0.65 0.12 -1.24 4.07 -1.24 -3.79 120.64 120.25 1hkx n GLU 341 Ca 0.03 -0.04 0.03 0.00 -0.06 0.00 0.00 57.16 57.11 1hkx n GLU 341 Cb 0.52 -1.63 0.01 0.00 -0.06 0.00 0.00 31.44 30.29 1hkx n GLU 341 CO 0.00 0.00 0.00 0.38 -0.06 0.00 0.00 177.13 177.45 1hkx h ASP 342 N 0.00 0.00 0.45 4.31 2.03 -1.91 -2.74 116.42 118.56 1hkx h ASP 342 Ca -0.10 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.13 1hkx h ASP 342 Cb 1.26 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.76 1hkx h ASP 342 CO 0.01 0.47 -0.31 0.71 -1.03 0.00 0.00 179.24 179.09 1hkx h THR 343 N 0.00 1.05 -0.25 1.15 1.35 -1.81 0.39 112.91 114.79 1hkx h THR 343 Ca -0.03 -1.15 -0.04 0.00 -0.55 0.00 0.00 66.41 64.64 1hkx h THR 343 Cb 1.39 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 69.45 1hkx h THR 343 CO 0.06 0.31 -0.02 0.50 -0.25 0.00 0.00 175.52 176.12 1hkx h LYS 344 N 0.00 0.45 0.00 4.72 1.63 -1.58 -1.49 116.57 120.29 1hkx h LYS 344 Ca -0.00 -0.15 -0.15 0.00 -0.85 0.00 0.00 60.65 59.49 1hkx h LYS 344 Cb 0.62 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 1hkx h LYS 344 CO 0.04 0.64 -0.72 -0.39 -3.45 0.00 0.00 179.45 175.58 1hkx h VAL 345 N 0.22 1.39 -0.55 2.00 -1.51 -1.19 -2.56 116.25 114.04 1hkx h VAL 345 Ca 0.07 -2.56 -0.10 0.00 -1.23 0.00 0.00 66.70 62.88 1hkx h VAL 345 Cb 0.45 2.43 -0.02 0.00 -2.13 0.00 0.00 31.29 32.02 1hkx h VAL 345 CO 0.02 0.70 -0.05 0.03 -1.23 0.00 0.00 177.57 177.03 1hkx h ARG 346 N 0.00 1.01 -0.43 5.19 3.08 -0.16 -0.69 114.38 122.38 1hkx h ARG 346 Ca -0.01 -0.35 -0.12 0.00 0.07 0.00 0.00 59.98 59.58 1hkx h ARG 346 Cb 1.37 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 1hkx h ARG 346 CO 0.09 1.03 -0.20 0.87 -1.07 0.00 0.00 179.97 180.70 1hkx h LYS 347 N 0.89 0.85 -0.04 0.04 1.57 -1.24 -1.86 116.57 116.78 1hkx h LYS 347 Ca 0.15 -0.34 -0.07 0.00 -1.87 0.00 0.00 60.65 58.52 1hkx h LYS 347 Cb 0.61 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1hkx h LYS 347 CO 0.04 0.97 -0.30 0.37 -0.57 0.00 0.00 179.45 179.96 1hkx h GLN 348 N 0.74 0.07 0.05 3.15 5.75 -1.20 0.16 115.11 123.83 1hkx h GLN 348 Ca 0.10 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.58 1hkx h GLN 348 Cb 0.73 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.27 1hkx h GLN 348 CO 0.06 0.37 -0.03 1.49 -2.65 0.00 0.00 178.83 178.07 1hkx h GLU 349 N 0.06 -0.07 -0.81 1.69 4.57 -0.46 -0.30 114.58 119.27 1hkx h GLU 349 Ca 0.01 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1hkx h GLU 349 Cb 0.56 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.13 1hkx h GLU 349 CO 0.04 -0.00 0.34 0.82 -1.18 0.00 0.00 179.01 179.03 1hkx h ILE 350 N -0.12 1.26 -0.32 2.32 5.03 -0.70 -2.25 117.51 122.74 1hkx h ILE 350 Ca -0.01 -0.80 -0.05 0.00 -0.12 0.00 0.00 64.86 63.88 1hkx h ILE 350 Cb 0.10 0.27 -0.02 0.00 -3.03 0.00 0.00 36.82 34.15 1hkx h ILE 350 CO 0.01 0.33 -0.01 0.40 -0.68 0.00 0.00 178.15 178.20 1hkx h ILE 351 N 1.17 1.19 -0.24 -0.67 2.04 -0.64 -1.87 117.51 118.49 1hkx h ILE 351 Ca 0.27 -0.78 -0.07 0.00 1.00 0.00 0.00 64.86 65.28 1hkx h ILE 351 Cb 0.19 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1hkx h ILE 351 CO -0.03 0.26 -0.13 0.50 0.00 0.00 0.00 178.15 178.76 1hkx h LYS 352 N 0.47 0.51 -0.16 2.37 3.64 -0.50 -1.42 116.57 121.47 1hkx h LYS 352 Ca 0.10 -0.23 -0.08 0.00 -1.27 0.00 0.00 60.65 59.17 1hkx h LYS 352 Cb 0.33 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1hkx h LYS 352 CO 0.01 0.79 -0.27 -0.39 -2.27 0.00 0.00 179.45 177.31 1hkx h VAL 353 N 0.22 1.26 -0.48 2.00 -1.51 -1.29 0.77 116.25 117.22 1hkx h VAL 353 Ca 0.05 -1.21 -0.09 0.00 -1.23 0.00 0.00 66.70 64.23 1hkx h VAL 353 Cb 0.64 1.43 -0.02 0.00 -2.13 0.00 0.00 31.29 31.22 1hkx h VAL 353 CO 0.04 0.37 -0.04 0.74 -1.23 0.00 0.00 177.57 177.45 1hkx h THR 354 N 0.27 1.27 -0.66 7.19 2.02 -1.24 0.24 112.91 121.99 1hkx h THR 354 Ca 0.04 -1.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.04 1hkx h THR 354 Cb 0.63 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1hkx h THR 354 CO 0.05 0.39 0.22 -0.33 0.37 0.00 0.00 175.52 176.21 1hkx h GLU 355 N 0.72 1.02 -0.39 6.66 5.08 -0.80 -0.49 114.58 126.37 1hkx h GLU 355 Ca 0.13 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1hkx h GLU 355 Cb 0.56 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1hkx h GLU 355 CO 0.03 0.88 0.17 1.96 -1.00 0.00 0.00 179.01 181.05 1hkx h GLN 356 N 0.95 0.57 -0.16 2.33 4.20 -0.48 -0.61 115.11 121.92 1hkx h GLN 356 Ca 0.21 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.85 1hkx h GLN 356 Cb 0.28 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1hkx h GLN 356 CO -0.01 0.53 0.02 1.25 -0.67 0.00 0.00 178.83 179.95 1hkx h LEU 357 N 0.49 -0.01 -1.13 1.46 5.85 -0.21 -0.95 115.31 120.81 1hkx h LEU 357 Ca 0.13 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1hkx h LEU 357 Cb 0.16 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1hkx h LEU 357 CO -0.01 0.02 0.53 0.40 -0.34 0.00 0.00 178.44 179.04 1hkx h ILE 358 N 0.08 1.22 -0.54 4.05 2.04 -0.85 -0.90 117.51 122.60 1hkx h ILE 358 Ca 0.07 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 1hkx h ILE 358 Cb 0.07 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.14 1hkx h ILE 358 CO -0.10 0.23 0.15 -0.33 0.00 0.00 0.00 178.15 178.09 1hkx h GLU 359 N 1.15 0.86 -0.31 2.37 5.08 -0.54 0.32 114.58 123.51 1hkx h GLU 359 Ca 0.30 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1hkx h GLU 359 Cb -0.09 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1hkx h GLU 359 CO -0.06 0.80 0.19 0.00 -1.00 0.00 0.00 179.01 178.94 1hkx h ALA 360 N 1.02 0.40 0.07 3.43 0.00 -0.62 0.64 119.26 124.20 1hkx h ALA 360 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1hkx h ALA 360 Cb 0.31 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1hkx h ALA 360 CO -0.00 -0.10 -0.05 0.82 0.00 0.00 0.00 179.25 179.91 1hkx h ILE 361 N 0.40 0.88 -0.09 0.00 2.04 -0.86 -0.89 117.51 118.98 1hkx h ILE 361 Ca 0.11 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.00 1hkx h ILE 361 Cb 0.01 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1hkx h ILE 361 CO -0.02 0.00 0.08 -1.28 0.00 0.00 0.00 178.15 176.92 1hkx h SER 362 N -0.13 0.00 -0.59 1.72 0.87 -0.01 -1.49 113.55 113.93 1hkx h SER 362 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1hkx h SER 362 Cb 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1hkx h SER 362 CO -0.01 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 176.88 1hkx n ASN 363 N -4.30 3.59 -2.02 6.23 3.02 0.19 -4.94 115.26 117.03 1hkx n ASN 363 Ca -0.01 -1.99 -0.20 0.00 -0.03 0.00 0.00 54.58 52.35 1hkx n ASN 363 Cb 0.19 -0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 38.93 1hkx n ASN 363 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hkx n GLY 364 N 1.57 0.49 3.47 7.41 0.00 -0.56 -4.91 105.19 112.66 1hkx n GLY 364 Ca 0.22 -0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 1hkx n GLY 364 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hkx s ASP 365 N -2.36 6.94 0.46 1.61 3.68 -0.40 -4.86 116.67 121.74 1hkx s ASP 365 Ca 0.00 -2.71 0.12 0.00 2.13 0.00 0.00 52.55 52.09 1hkx s ASP 365 Cb 0.00 -2.42 1.04 0.00 -1.45 0.00 0.00 42.92 40.10 1hkx s ASP 365 CO 0.00 -0.86 2.06 0.15 0.13 0.00 0.00 175.17 176.65 1hkx h PHE 366 N 7.62 0.18 0.27 -5.34 3.57 -1.86 -2.39 116.94 118.99 1hkx h PHE 366 Ca 0.29 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1hkx h PHE 366 Cb 0.91 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.59 1hkx h PHE 366 CO 1.14 0.17 -0.13 0.93 -2.23 0.00 0.00 178.31 178.20 1hkx h GLU 367 N 0.18 -0.35 -1.00 1.11 3.07 -1.97 -0.44 114.58 115.19 1hkx h GLU 367 Ca 0.05 0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.94 1hkx h GLU 367 Cb 0.09 0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 28.03 1hkx h GLU 367 CO -0.00 -0.16 0.66 0.77 -1.40 0.00 0.00 179.01 178.88 1hkx h SER 368 N -0.46 1.15 0.44 1.42 0.02 -1.94 -1.83 113.55 112.35 1hkx h SER 368 Ca -0.04 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1hkx h SER 368 Cb 0.35 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1hkx h SER 368 CO 0.06 0.84 -0.42 0.22 -1.14 0.00 0.00 176.83 176.39 1hkx h TYR 369 N 1.35 -1.14 -0.69 3.45 3.20 -1.13 -2.02 116.97 119.98 1hkx h TYR 369 Ca 0.36 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.33 1hkx h TYR 369 Cb -0.15 0.44 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 1hkx h TYR 369 CO -0.00 -0.58 0.46 1.79 -1.64 0.00 0.00 178.16 178.19 1hkx h THR 370 N -0.87 0.95 -0.22 1.81 1.35 -0.87 0.24 112.91 115.31 1hkx h THR 370 Ca -0.04 -0.21 0.01 0.00 -0.55 0.00 0.00 66.41 65.61 1hkx h THR 370 Cb 0.76 0.28 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 1hkx h THR 370 CO -0.05 0.11 0.14 0.50 -0.25 0.00 0.00 175.52 175.97 1hkx h LYS 371 N 0.61 0.27 -0.01 4.72 3.11 -0.80 -2.03 116.57 122.44 1hkx h LYS 371 Ca 0.31 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.14 1hkx h LYS 371 Cb 0.42 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.59 1hkx h LYS 371 CO -0.11 0.18 -0.30 -1.33 -2.81 0.00 0.00 179.45 175.08 1hkx n MET 372 N -4.51 0.95 -4.61 1.90 2.81 0.81 -4.91 117.12 109.55 1hkx n MET 372 Ca 0.00 -0.63 -0.33 0.00 -1.81 0.00 0.00 57.70 54.94 1hkx n MET 372 Cb 0.09 -1.49 -0.11 0.00 -0.71 0.00 0.00 33.22 31.00 1hkx n MET 372 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1hkx s ASP 374 N -1.04 7.06 0.39 0.00 3.68 -0.02 -4.81 116.67 121.92 1hkx s ASP 374 Ca 0.14 2.31 0.13 0.00 2.13 0.00 0.00 52.55 57.26 1hkx s ASP 374 Cb -0.11 -2.62 0.95 0.00 -1.45 0.00 0.00 42.92 39.69 1hkx s ASP 374 CO 0.04 -0.30 1.87 -0.65 0.13 0.00 0.00 175.17 176.25 1hkx h PRO 375 N 3.47 0.53 -1.00 4.34 0.11 -1.91 -0.24 132.00 137.30 1hkx h PRO 375 Ca -0.47 -0.03 -0.37 0.00 0.11 0.00 0.00 66.00 65.24 1hkx h PRO 375 Cb 1.22 -0.12 -0.22 0.00 0.11 0.00 0.00 31.00 31.99 1hkx h PRO 375 CO 0.66 0.35 0.46 0.41 -0.21 0.00 0.00 178.00 179.67 1hkx n GLY 376 N -1.47 3.76 3.75 -0.55 0.00 -1.26 -4.12 105.19 105.29 1hkx n GLY 376 Ca 0.18 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 1hkx n GLY 376 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1hkx n MET 377 N -0.65 2.54 -4.28 1.61 0.00 -0.10 -4.69 117.12 111.55 1hkx n MET 377 Ca 0.42 0.90 -0.30 0.00 0.00 0.00 0.00 57.70 58.72 1hkx n MET 377 Cb 1.32 -2.61 -0.11 0.00 0.00 0.00 0.00 33.22 31.82 1hkx n MET 377 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1hkx s THR 378 N -0.69 3.15 -0.07 1.12 2.01 -0.78 -0.60 115.64 119.77 1hkx s THR 378 Ca 0.58 -1.34 -0.20 0.00 0.31 0.00 0.00 61.69 61.03 1hkx s THR 378 Cb -0.51 -2.45 0.04 0.00 0.01 0.00 0.00 72.50 69.59 1hkx s THR 378 CO 0.58 0.13 0.47 0.00 -0.69 0.00 0.00 174.62 175.10 1hkx s ALA 379 N -1.17 -1.19 -0.12 7.40 0.00 -0.04 -1.81 121.76 124.82 1hkx s ALA 379 Ca 0.20 0.89 0.02 0.00 0.00 0.00 0.00 51.96 53.07 1hkx s ALA 379 Cb -0.11 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1hkx s ALA 379 CO 0.12 -0.29 -0.16 -0.06 0.00 0.00 0.00 175.76 175.37 1hkx s PHE 380 N -0.89 2.13 -0.00 0.00 2.99 -0.57 -1.13 117.98 120.50 1hkx s PHE 380 Ca -0.09 -1.06 -0.29 0.00 0.00 0.00 0.00 56.93 55.49 1hkx s PHE 380 Cb -0.03 -1.52 0.08 0.00 0.00 0.00 0.00 43.02 41.55 1hkx s PHE 380 CO 0.05 -0.54 0.72 -1.83 -0.00 0.00 0.00 175.22 173.62 1hkx s GLU 381 N 1.07 1.04 0.31 0.44 -1.05 -1.26 -0.62 118.70 118.63 1hkx s GLU 381 Ca -0.04 -0.00 0.08 0.00 -0.15 0.00 0.00 54.97 54.86 1hkx s GLU 381 Cb -0.15 0.49 0.87 0.00 -0.44 0.00 0.00 34.13 34.90 1hkx s GLU 381 CO -0.04 -0.38 1.69 -1.35 0.95 0.00 0.00 175.26 176.14 1hkx h PRO 382 N 2.59 0.40 0.00 -4.83 0.11 -1.88 0.15 132.00 128.54 1hkx h PRO 382 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1hkx h PRO 382 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1hkx h PRO 382 CO 0.37 0.27 0.00 0.93 -0.21 0.00 0.00 178.00 179.36 1hkx h GLU 383 N 0.41 0.00 -0.39 1.05 3.07 -1.96 -2.09 114.58 114.68 1hkx h GLU 383 Ca 0.63 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.49 1hkx h GLU 383 Cb 1.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1hkx h GLU 383 CO -0.55 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.06 1hkx n ALA 384 N -1.95 2.45 -4.07 3.43 0.00 0.53 -4.97 120.51 115.92 1hkx n ALA 384 Ca -0.01 -0.80 -0.29 0.00 0.00 0.00 0.00 53.44 52.35 1hkx n ALA 384 Cb 0.15 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 1hkx n ALA 384 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1hkx n LEU 385 N 0.88 -1.90 0.00 0.00 4.77 -0.79 -1.14 117.00 118.82 1hkx n LEU 385 Ca 0.17 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 1hkx n LEU 385 Cb 0.43 -2.09 0.00 0.00 -2.33 0.00 0.00 43.42 39.43 1hkx n LEU 385 CO 0.13 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1hkx n GLY 386 N -1.96 0.86 3.85 -0.72 0.00 -1.26 -5.03 105.19 100.93 1hkx n GLY 386 Ca -0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1hkx n GLY 386 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hkx s ASN 387 N -2.77 6.04 -0.30 1.61 0.01 -0.30 -5.07 114.94 114.17 1hkx s ASN 387 Ca 0.00 0.23 -0.24 0.00 -0.71 0.00 0.00 52.86 52.14 1hkx s ASN 387 Cb 0.00 -1.81 -0.00 0.00 0.41 0.00 0.00 41.25 39.85 1hkx s ASN 387 CO 0.00 0.24 0.80 -0.22 -1.51 0.00 0.00 177.10 176.41 1hkx s LEU 388 N -2.02 4.08 0.03 0.60 0.20 -1.26 -4.63 118.68 115.68 1hkx s LEU 388 Ca 0.27 0.73 -0.03 0.00 0.69 0.00 0.00 54.13 55.79 1hkx s LEU 388 Cb -0.12 -3.10 -0.04 0.00 -0.43 0.00 0.00 46.19 42.50 1hkx s LEU 388 CO 0.19 -0.60 0.24 -0.69 -0.29 0.00 0.00 176.35 175.20 1hkx s VAL 389 N 2.94 5.35 0.16 1.68 1.01 -0.29 -4.91 120.40 126.35 1hkx s VAL 389 Ca 0.33 -0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.29 1hkx s VAL 389 Cb -0.14 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1hkx s VAL 389 CO 0.12 0.24 -0.19 -1.61 0.00 0.00 0.00 175.10 173.66 1hkx s GLU 390 N -2.15 1.73 0.17 2.72 2.02 -1.26 -0.87 118.70 121.06 1hkx s GLU 390 Ca 0.31 -1.33 0.00 0.00 0.02 0.00 0.00 54.97 53.97 1hkx s GLU 390 Cb -0.13 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.09 1hkx s GLU 390 CO 0.21 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.34 1hkx n GLY 391 N 0.44 -1.78 0.00 -1.39 0.00 0.23 -4.55 105.19 98.14 1hkx n GLY 391 Ca -0.14 -1.35 0.11 0.00 0.00 0.00 0.00 46.02 44.64 1hkx n GLY 391 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hkx n LEU 392 N -2.72 0.76 -0.29 0.99 4.32 -1.26 -4.39 117.00 114.41 1hkx n LEU 392 Ca -0.00 -0.26 0.08 0.00 -0.02 0.00 0.00 56.01 55.81 1hkx n LEU 392 Cb 0.29 -0.11 0.23 0.00 -1.62 0.00 0.00 43.42 42.21 1hkx n LEU 392 CO 0.01 0.19 1.07 -0.78 -1.22 0.00 0.00 177.39 176.66 1hkx h ASP 393 N 0.00 0.44 0.29 -1.43 3.58 -1.96 -1.07 116.42 116.27 1hkx h ASP 393 Ca 0.00 0.11 -0.07 0.00 0.42 0.00 0.00 57.03 57.49 1hkx h ASP 393 Cb 0.51 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 1hkx h ASP 393 CO 0.00 0.16 -0.31 0.15 -2.88 0.00 0.00 179.24 176.36 1hkx h PHE 394 N 0.55 0.03 0.00 0.28 3.04 -1.81 -3.10 116.94 115.93 1hkx h PHE 394 Ca 0.47 -0.01 -0.22 0.00 3.98 0.00 0.00 57.97 62.19 1hkx h PHE 394 Cb 0.73 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.19 1hkx h PHE 394 CO -0.11 0.34 -1.18 0.45 -2.02 0.00 0.00 178.31 175.79 1hkx h HIS 395 N 0.03 0.00 0.00 0.41 -0.00 -1.50 -3.33 115.15 110.76 1hkx h HIS 395 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1hkx h HIS 395 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.97 1hkx h HIS 395 CO 0.00 0.95 0.00 2.89 -0.00 0.00 0.00 177.93 181.77 1hkx n ARG 396 N -3.24 0.05 -0.05 2.45 -4.01 -0.78 -2.43 116.66 108.65 1hkx n ARG 396 Ca -0.05 0.16 -0.02 0.00 -1.04 0.00 0.00 57.85 56.90 1hkx n ARG 396 Cb 0.95 -1.50 -0.02 0.00 -3.04 0.00 0.00 32.46 28.86 1hkx n ARG 396 CO 0.00 0.00 0.00 0.35 -3.04 0.00 0.00 177.63 174.94 1hkx h PHE 397 N 0.00 -0.00 0.00 2.89 3.57 -1.74 -2.61 116.94 119.05 1hkx h PHE 397 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1hkx h PHE 397 Cb 0.01 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1hkx h PHE 397 CO 0.00 0.12 0.00 1.88 -2.23 0.00 0.00 178.31 178.08 1hkx h TYR 398 N -1.00 0.00 0.00 0.41 -1.99 -1.73 0.34 116.97 113.00 1hkx h TYR 398 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1hkx h TYR 398 Cb 0.12 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.85 1hkx h TYR 398 CO 0.03 0.00 -0.69 1.19 -0.00 0.00 0.00 178.16 178.69 1hkx n PHE 399 N -2.49 0.52 -0.03 4.88 3.72 -1.05 -3.10 117.46 119.90 1hkx n PHE 399 Ca -0.00 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 1hkx n PHE 399 Cb 0.13 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 38.04 1hkx n PHE 399 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1hkx n GLU 400 N -2.10 -0.72 -0.86 -1.08 2.13 0.31 -4.69 120.64 113.63 1hkx n GLU 400 Ca 0.03 -0.55 0.02 0.00 0.66 0.00 0.00 57.16 57.32 1hkx n GLU 400 Cb 0.44 -0.99 0.02 0.00 0.27 0.00 0.00 31.44 31.18 1hkx n GLU 400 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1hkx n ASN 401 N -0.03 0.48 -3.08 4.31 4.13 0.92 -4.90 115.26 117.08 1hkx n ASN 401 Ca 0.00 -2.07 -0.16 0.00 1.68 0.00 0.00 54.58 54.03 1hkx n ASN 401 Cb 0.02 -0.25 -0.01 0.00 -1.54 0.00 0.00 39.78 38.00 1hkx n ASN 401 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1hkx n LEU 402 N 0.12 0.52 -0.00 3.41 7.94 -1.18 -4.87 117.00 122.95 1hkx n LEU 402 Ca 0.03 -4.73 0.07 0.00 -1.11 0.00 0.00 56.01 50.28 1hkx n LEU 402 Cb 0.87 0.71 -0.09 0.00 0.53 0.00 0.00 43.42 45.43 1hkx n LEU 402 CO -0.02 2.19 -0.14 0.79 -1.11 0.00 0.00 177.39 179.11 1hkx n TRP 403 N 0.24 0.00 -0.39 1.96 8.01 -1.26 -4.64 117.44 121.36 1hkx n TRP 403 Ca 0.21 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 56.36 1hkx n TRP 403 Cb 0.68 -0.06 -0.05 0.00 -2.01 0.00 0.00 31.31 29.87 1hkx n TRP 403 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 1hkx n SER 404 N -1.46 2.57 -0.40 -0.99 3.41 -1.26 -3.71 113.62 111.77 1hkx n SER 404 Ca 0.02 -1.87 0.04 0.00 -0.26 0.00 0.00 58.87 56.80 1hkx n SER 404 Cb 0.26 -0.64 0.09 0.00 -0.26 0.00 0.00 64.21 63.66 1hkx n SER 404 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1hkx n ARG 405 N 2.38 2.54 0.03 4.33 1.85 -1.26 -4.53 116.66 122.01 1hkx n ARG 405 Ca 0.13 -1.74 -0.19 0.00 -1.00 0.00 0.00 57.85 55.04 1hkx n ARG 405 Cb 0.37 -1.17 -0.12 0.00 -1.05 0.00 0.00 32.46 30.49 1hkx n ARG 405 CO 0.00 0.00 0.00 -0.97 -0.01 0.00 0.00 177.63 176.65 1hkx h ASN 406 N 1.35 0.62 0.00 2.89 -1.24 -1.98 -2.59 115.58 114.62 1hkx h ASN 406 Ca 0.00 -0.81 0.00 0.00 0.71 0.00 0.00 56.30 56.20 1hkx h ASN 406 Cb 0.61 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.46 1hkx h ASN 406 CO 0.00 1.37 0.00 -0.24 -1.29 0.00 0.00 177.43 177.27 1hkx n SER 407 N -4.08 0.00 -3.47 1.15 2.88 -1.26 -3.73 113.62 105.11 1hkx n SER 407 Ca -0.12 -1.03 -0.26 0.00 -1.33 0.00 0.00 58.87 56.12 1hkx n SER 407 Cb 0.79 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.16 1hkx n SER 407 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1hkx n LYS 408 N -0.89 1.48 -1.56 -1.46 4.81 -0.98 -4.73 118.16 114.83 1hkx n LYS 408 Ca 0.16 -3.99 -0.52 0.00 -0.87 0.00 0.00 58.31 53.09 1hkx n LYS 408 Cb 0.07 -1.89 -0.06 0.00 0.02 0.00 0.00 35.03 33.17 1hkx n LYS 408 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1hkx n PRO 409 N 1.62 0.90 -4.60 1.64 -0.02 -1.23 -4.64 135.00 128.67 1hkx n PRO 409 Ca 0.25 0.32 -0.22 0.00 -2.02 0.00 0.00 63.50 61.84 1hkx n PRO 409 Cb 0.44 -1.87 -0.15 0.00 -0.02 0.00 0.00 33.50 31.90 1hkx n PRO 409 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1hkx s VAL 410 N 0.12 1.06 -0.02 -1.45 1.01 -1.26 -3.33 120.40 116.53 1hkx s VAL 410 Ca 0.81 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.25 1hkx s VAL 410 Cb -0.98 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 34.52 1hkx s VAL 410 CO 0.51 0.31 -0.05 -2.28 0.00 0.00 0.00 175.10 173.58 1hkx s HIS 411 N -0.18 0.62 0.01 5.22 5.04 -0.57 -5.00 115.29 120.43 1hkx s HIS 411 Ca 0.02 -0.14 0.07 0.00 -1.54 0.00 0.00 55.06 53.47 1hkx s HIS 411 Cb -0.07 -0.51 -0.03 0.00 0.04 0.00 0.00 32.58 32.02 1hkx s HIS 411 CO 0.00 -0.10 -0.20 0.99 -2.34 0.00 0.00 174.74 173.08 1hkx s THR 412 N 0.45 2.59 -0.03 0.89 2.01 -1.26 -0.86 115.64 119.42 1hkx s THR 412 Ca -0.06 -1.09 0.04 0.00 0.31 0.00 0.00 61.69 60.89 1hkx s THR 412 Cb -0.09 -2.02 -0.00 0.00 0.01 0.00 0.00 72.50 70.39 1hkx s THR 412 CO -0.00 0.46 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.36 1hkx s THR 413 N -0.79 1.10 -0.29 -0.82 2.01 0.00 -5.00 115.64 111.85 1hkx s THR 413 Ca 0.12 -0.55 -0.07 0.00 0.31 0.00 0.00 61.69 61.50 1hkx s THR 413 Cb -0.10 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.46 1hkx s THR 413 CO 0.02 0.32 0.09 -0.63 -0.69 0.00 0.00 174.62 173.74 1hkx s ILE 414 N -0.01 4.13 0.07 1.82 1.01 -1.26 -1.24 121.20 125.72 1hkx s ILE 414 Ca -0.01 -0.57 0.05 0.00 0.00 0.00 0.00 60.65 60.12 1hkx s ILE 414 Cb -0.09 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 1hkx s ILE 414 CO 0.01 0.12 -0.03 -0.76 0.00 0.00 0.00 174.94 174.28 1hkx s LEU 415 N 1.54 3.36 -1.50 2.97 1.43 -0.12 -4.72 118.68 121.64 1hkx s LEU 415 Ca 0.04 -0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1hkx s LEU 415 Cb -0.17 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.00 1hkx s LEU 415 CO 0.03 0.20 0.24 -3.20 0.23 0.00 0.00 176.35 173.85 1hkx n ASN 416 N 0.82 0.13 -4.73 2.29 5.15 -1.26 -1.76 115.26 115.90 1hkx n ASN 416 Ca -0.12 -1.14 -0.38 0.00 -0.60 0.00 0.00 54.58 52.34 1hkx n ASN 416 Cb 0.52 -2.30 0.06 0.00 -0.53 0.00 0.00 39.78 37.53 1hkx n ASN 416 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1hkx n PRO 417 N -4.48 1.37 -3.64 1.20 -0.02 -1.26 -4.69 135.00 123.48 1hkx n PRO 417 Ca -0.29 0.52 -0.16 0.00 -2.02 0.00 0.00 63.50 61.55 1hkx n PRO 417 Cb 0.68 -2.54 -0.14 0.00 -0.02 0.00 0.00 33.50 31.47 1hkx n PRO 417 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1hkx s HIS 418 N -1.34 -0.27 0.01 6.00 3.76 -0.57 -5.00 115.29 117.88 1hkx s HIS 418 Ca 0.78 0.66 0.01 0.00 -0.15 0.00 0.00 55.06 56.36 1hkx s HIS 418 Cb -0.40 -0.21 -0.04 0.00 1.11 0.00 0.00 32.58 33.05 1hkx s HIS 418 CO 0.44 -0.35 0.03 0.42 -0.85 0.00 0.00 174.74 174.43 1hkx s ILE 419 N 2.34 4.33 -0.15 0.60 1.09 -1.26 -1.47 121.20 126.68 1hkx s ILE 419 Ca 0.03 -0.57 0.00 0.00 -1.10 0.00 0.00 60.65 59.01 1hkx s ILE 419 Cb -0.13 -2.96 0.03 0.00 -1.06 0.00 0.00 42.46 38.34 1hkx s ILE 419 CO -0.08 0.34 -0.12 -1.00 -0.10 0.00 0.00 174.94 173.99 1hkx s HIS 420 N -1.14 2.09 -0.04 3.97 3.76 0.73 -4.98 115.29 119.68 1hkx s HIS 420 Ca 0.21 -1.20 -0.15 0.00 -0.15 0.00 0.00 55.06 53.77 1hkx s HIS 420 Cb -0.12 -1.54 -0.05 0.00 1.11 0.00 0.00 32.58 31.98 1hkx s HIS 420 CO 0.12 -0.66 0.40 -0.51 -0.85 0.00 0.00 174.74 173.25 1hkx s LEU 421 N 1.51 4.42 -0.36 0.89 1.43 -1.26 -1.12 118.68 124.20 1hkx s LEU 421 Ca 0.04 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 1hkx s LEU 421 Cb -0.13 -2.58 0.14 0.00 0.03 0.00 0.00 46.19 43.65 1hkx s LEU 421 CO -0.10 0.25 0.22 -0.04 0.23 0.00 0.00 176.35 176.91 1hkx s MET 422 N -0.66 0.60 0.00 1.70 -1.94 0.87 -5.00 119.30 114.86 1hkx s MET 422 Ca 0.23 -1.39 0.00 0.00 -1.71 0.00 0.00 55.69 52.82 1hkx s MET 422 Cb -0.16 -1.35 0.00 0.00 2.01 0.00 0.00 34.83 35.33 1hkx s MET 422 CO 0.12 -1.22 0.00 0.41 -0.01 0.00 0.00 175.02 174.32 1hkx n GLY 423 N 3.97 -1.28 0.02 -0.03 0.00 -1.26 -3.05 105.19 103.56 1hkx n GLY 423 Ca 0.13 -1.55 0.13 0.00 0.00 0.00 0.00 46.02 44.72 1hkx n GLY 423 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hkx n ASP 424 N -1.07 0.44 -0.25 1.61 8.00 -1.26 -3.94 116.55 120.08 1hkx n ASP 424 Ca 0.00 -0.16 0.02 0.00 0.71 0.00 0.00 54.79 55.36 1hkx n ASP 424 Cb 0.00 0.09 0.05 0.00 -0.02 0.00 0.00 41.12 41.24 1hkx n ASP 424 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1hkx n GLU 425 N -1.43 1.90 -3.79 -1.24 -0.58 -1.26 -4.80 120.64 109.44 1hkx n GLU 425 Ca 0.07 -1.43 -0.19 0.00 -0.42 0.00 0.00 57.16 55.18 1hkx n GLU 425 Cb 0.33 -1.11 -0.17 0.00 -0.57 0.00 0.00 31.44 29.93 1hkx n GLU 425 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1hkx s SER 426 N -0.81 0.88 0.09 1.62 0.15 -1.17 0.95 113.70 115.42 1hkx s SER 426 Ca 0.08 0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.76 1hkx s SER 426 Cb 0.05 -0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.09 1hkx s SER 426 CO 0.06 -0.18 -0.06 0.00 1.20 0.00 0.00 173.24 174.26 1hkx s ALA 427 N 1.63 0.93 -0.03 5.45 0.00 0.65 -0.09 121.76 130.30 1hkx s ALA 427 Ca -0.01 -1.31 -0.01 0.00 0.00 0.00 0.00 51.96 50.62 1hkx s ALA 427 Cb -0.13 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.18 1hkx s ALA 427 CO -0.03 -0.23 0.04 0.00 0.00 0.00 0.00 175.76 175.54 1hkx s ILE 429 N 1.64 1.51 -0.06 0.00 2.07 -0.30 -0.19 121.20 125.86 1hkx s ILE 429 Ca -0.02 -0.76 0.03 0.00 -1.41 0.00 0.00 60.65 58.49 1hkx s ILE 429 Cb -0.13 -1.29 0.01 0.00 0.13 0.00 0.00 42.46 41.19 1hkx s ILE 429 CO -0.03 0.43 -0.14 0.00 -1.91 0.00 0.00 174.94 173.29 1hkx s ALA 430 N -0.02 1.40 0.24 1.50 0.00 -0.54 -0.29 121.76 124.04 1hkx s ALA 430 Ca -0.03 -0.53 -0.17 0.00 0.00 0.00 0.00 51.96 51.24 1hkx s ALA 430 Cb -0.11 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.45 1hkx s ALA 430 CO 0.02 0.17 0.56 1.52 0.00 0.00 0.00 175.76 178.03 1hkx s TYR 431 N 0.48 0.05 -0.14 0.00 -0.85 -0.59 -1.51 117.35 114.78 1hkx s TYR 431 Ca -0.12 -0.43 -0.12 0.00 -0.52 0.00 0.00 57.07 55.87 1hkx s TYR 431 Cb -0.15 0.39 -0.05 0.00 0.38 0.00 0.00 41.96 42.54 1hkx s TYR 431 CO 0.04 -1.03 0.25 0.42 -1.52 0.00 0.00 175.55 173.71 1hkx s ILE 432 N -3.94 5.33 -0.28 -3.49 -1.09 -0.72 -1.21 121.20 115.80 1hkx s ILE 432 Ca 0.15 0.45 -0.05 0.00 -2.23 0.00 0.00 60.65 58.97 1hkx s ILE 432 Cb -0.02 -3.57 0.01 0.00 -1.58 0.00 0.00 42.46 37.30 1hkx s ILE 432 CO 0.04 0.46 0.04 -0.60 -1.23 0.00 0.00 174.94 173.65 1hkx s ARG 433 N 0.01 3.02 -0.17 2.79 3.52 0.91 -0.95 118.95 128.08 1hkx s ARG 433 Ca 0.15 -0.89 -0.05 0.00 -0.13 0.00 0.00 55.73 54.81 1hkx s ARG 433 Cb -0.13 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 29.97 1hkx s ARG 433 CO 0.04 -0.43 -0.00 0.42 -0.81 0.00 0.00 175.30 174.51 1hkx s ILE 434 N 1.45 4.15 -0.12 4.11 1.01 -0.37 -1.73 121.20 129.69 1hkx s ILE 434 Ca 0.02 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.43 1hkx s ILE 434 Cb -0.17 -2.84 0.00 0.00 0.01 0.00 0.00 42.46 39.46 1hkx s ILE 434 CO 0.00 0.47 -0.21 -0.89 0.00 0.00 0.00 174.94 174.31 1hkx s THR 435 N 0.48 2.23 -0.26 2.92 2.01 -0.20 -0.82 115.64 121.99 1hkx s THR 435 Ca -0.01 -0.94 -0.06 0.00 0.31 0.00 0.00 61.69 60.98 1hkx s THR 435 Cb -0.14 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 1hkx s THR 435 CO 0.02 0.55 0.05 -1.10 -0.69 0.00 0.00 174.62 173.44 1hkx s GLN 436 N 0.56 3.38 0.18 4.92 -0.21 -0.04 -1.18 119.66 127.27 1hkx s GLN 436 Ca -0.12 -0.65 0.00 0.00 0.02 0.00 0.00 55.36 54.60 1hkx s GLN 436 Cb -0.17 -3.26 -0.04 0.00 1.00 0.00 0.00 33.01 30.54 1hkx s GLN 436 CO 0.04 -0.29 0.07 1.52 -2.12 0.00 0.00 175.29 174.51 1hkx s TYR 437 N 1.54 1.16 0.00 0.91 -0.85 -1.03 -1.52 117.35 117.56 1hkx s TYR 437 Ca 0.05 -1.21 0.00 0.00 -0.52 0.00 0.00 57.07 55.39 1hkx s TYR 437 Cb -0.16 -0.64 0.00 0.00 0.38 0.00 0.00 41.96 41.55 1hkx s TYR 437 CO 0.01 -0.44 0.00 1.28 -1.52 0.00 0.00 175.55 174.88 1hkx n LEU 438 N -0.25 0.00 0.00 -3.49 4.77 -1.21 -1.78 117.00 115.04 1hkx n LEU 438 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1hkx n LEU 438 Cb 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1hkx n LEU 438 CO 0.33 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.72 1hkx n ASP 439 N 0.00 -2.37 -3.76 -1.43 2.03 -1.25 -4.72 116.55 105.05 1hkx n ASP 439 Ca 0.00 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.05 1hkx n ASP 439 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 1hkx n ASP 439 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hkx n ALA 440 N 1.11 -1.45 -0.73 -1.67 0.00 -1.26 -2.90 120.51 113.61 1hkx n ALA 440 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1hkx n ALA 440 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 19.45 15.17 1hkx n ALA 440 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hkx n GLY 441 N -1.73 1.18 2.17 0.00 0.00 -1.26 -4.25 105.19 101.30 1hkx n GLY 441 Ca -0.04 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 1hkx n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hkx n GLY 442 N -0.49 0.67 3.92 -0.02 0.00 -1.14 -4.92 105.19 103.20 1hkx n GLY 442 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1hkx n GLY 442 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hkx s ILE 443 N -1.41 5.29 -0.06 -0.61 1.01 -1.14 -4.74 121.20 119.53 1hkx s ILE 443 Ca 0.00 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.08 1hkx s ILE 443 Cb 0.00 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1hkx s ILE 443 CO 0.00 0.05 1.09 -2.84 0.00 0.00 0.00 174.94 173.24 1hkx s PRO 444 N -2.72 4.42 0.11 2.79 0.02 -1.26 -3.95 135.00 134.41 1hkx s PRO 444 Ca 0.37 1.52 0.02 0.00 0.02 0.00 0.00 61.00 62.94 1hkx s PRO 444 Cb -0.12 -3.52 -0.04 0.00 0.02 0.00 0.00 34.50 30.84 1hkx s PRO 444 CO 0.27 -0.32 -0.07 1.03 -0.33 0.00 0.00 177.00 177.58 1hkx s ARG 445 N 1.85 0.89 -0.05 5.54 0.52 -0.73 -5.03 118.95 121.94 1hkx s ARG 445 Ca 0.52 -1.36 0.04 0.00 -0.52 0.00 0.00 55.73 54.42 1hkx s ARG 445 Cb -0.22 -0.31 -0.00 0.00 0.52 0.00 0.00 34.95 34.94 1hkx s ARG 445 CO 0.22 0.01 -0.18 0.99 0.02 0.00 0.00 175.30 176.35 1hkx s THR 446 N -3.53 1.49 0.04 0.02 2.01 -1.26 -2.46 115.64 111.95 1hkx s THR 446 Ca 0.13 -0.75 0.09 0.00 0.31 0.00 0.00 61.69 61.47 1hkx s THR 446 Cb 0.04 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 1hkx s THR 446 CO -0.03 0.43 -0.26 0.00 -0.69 0.00 0.00 174.62 174.06 1hkx s ALA 447 N 0.08 2.24 0.05 7.40 0.00 -0.32 -4.97 121.76 126.25 1hkx s ALA 447 Ca -0.05 -1.25 0.08 0.00 0.00 0.00 0.00 51.96 50.73 1hkx s ALA 447 Cb -0.12 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 1hkx s ALA 447 CO 0.03 0.53 -0.22 -1.14 0.00 0.00 0.00 175.76 174.96 1hkx s GLN 448 N -1.17 1.44 -0.14 0.00 0.74 -1.26 -1.04 119.66 118.24 1hkx s GLN 448 Ca 0.12 -1.02 -0.21 0.00 0.05 0.00 0.00 55.36 54.30 1hkx s GLN 448 Cb -0.10 -1.61 0.05 0.00 1.10 0.00 0.00 33.01 32.46 1hkx s GLN 448 CO 0.02 0.41 0.53 -1.54 -0.55 0.00 0.00 175.29 174.15 1hkx s SER 449 N -1.32 -0.52 -0.14 6.67 1.04 -0.71 -4.49 113.70 114.24 1hkx s SER 449 Ca 0.09 0.84 -0.16 0.00 0.48 0.00 0.00 55.95 57.19 1hkx s SER 449 Cb -0.09 0.85 -0.04 0.00 0.10 0.00 0.00 66.02 66.84 1hkx s SER 449 CO 0.02 -0.32 0.40 -1.61 0.98 0.00 0.00 173.24 172.71 1hkx s GLU 450 N -0.30 4.30 0.02 4.02 8.01 -0.03 -0.06 118.70 134.67 1hkx s GLU 450 Ca -0.05 0.29 0.05 0.00 0.01 0.00 0.00 54.97 55.28 1hkx s GLU 450 Cb -0.03 -3.44 -0.02 0.00 -4.31 0.00 0.00 34.13 26.33 1hkx s GLU 450 CO 0.03 0.18 -0.16 -1.21 0.01 0.00 0.00 175.26 174.12 1hkx s GLU 451 N 0.58 1.11 -0.09 1.61 2.02 -0.35 -0.99 118.70 122.59 1hkx s GLU 451 Ca 0.22 -0.72 0.03 0.00 0.02 0.00 0.00 54.97 54.51 1hkx s GLU 451 Cb -0.14 -1.12 0.01 0.00 0.10 0.00 0.00 34.13 32.98 1hkx s GLU 451 CO 0.07 0.29 -0.16 0.99 0.02 0.00 0.00 175.26 176.47 1hkx s THR 452 N -0.68 1.49 -0.10 3.63 2.01 -0.21 -1.55 115.64 120.23 1hkx s THR 452 Ca 0.04 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.39 1hkx s THR 452 Cb -0.07 -1.33 0.01 0.00 0.01 0.00 0.00 72.50 71.11 1hkx s THR 452 CO 0.01 0.44 -0.18 -0.13 -0.69 0.00 0.00 174.62 174.06 1hkx s ARG 453 N 0.66 2.44 -0.27 4.92 1.81 0.60 -1.27 118.95 127.85 1hkx s ARG 453 Ca -0.14 -0.66 -0.07 0.00 -1.72 0.00 0.00 55.73 53.15 1hkx s ARG 453 Cb -0.16 -1.96 -0.01 0.00 -0.45 0.00 0.00 34.95 32.36 1hkx s ARG 453 CO 0.04 0.04 0.07 0.08 -0.68 0.00 0.00 175.30 174.85 1hkx s VAL 454 N 0.69 4.13 -0.11 3.52 1.01 0.60 -1.15 120.40 129.10 1hkx s VAL 454 Ca -0.12 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 1hkx s VAL 454 Cb -0.16 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1hkx s VAL 454 CO 0.03 0.24 0.10 0.26 0.00 0.00 0.00 175.10 175.73 1hkx s TRP 455 N 1.56 3.47 -0.05 5.22 0.52 0.16 -0.69 118.94 129.13 1hkx s TRP 455 Ca 0.05 0.43 0.01 0.00 0.02 0.00 0.00 56.10 56.61 1hkx s TRP 455 Cb -0.16 -1.89 0.02 0.00 -1.15 0.00 0.00 33.47 30.29 1hkx s TRP 455 CO 0.03 0.66 -0.05 -1.58 0.02 0.00 0.00 176.95 176.03 1hkx s HIS 456 N -1.00 0.86 -0.31 -1.98 2.46 0.31 -0.25 115.29 115.38 1hkx s HIS 456 Ca 0.15 -0.27 -0.29 0.00 0.47 0.00 0.00 55.06 55.12 1hkx s HIS 456 Cb -0.12 -0.76 0.02 0.00 -0.13 0.00 0.00 32.58 31.59 1hkx s HIS 456 CO 0.04 -0.23 1.06 0.50 -2.47 0.00 0.00 174.74 173.64 1hkx s ARG 457 N 1.04 4.09 -0.12 2.88 6.06 0.27 -0.75 118.95 132.41 1hkx s ARG 457 Ca -0.09 1.09 0.00 0.00 -2.50 0.00 0.00 55.73 54.23 1hkx s ARG 457 Cb -0.14 -3.72 0.02 0.00 0.06 0.00 0.00 34.95 31.17 1hkx s ARG 457 CO -0.00 -0.86 -0.11 0.50 -2.50 0.00 0.00 175.30 172.33 1hkx s ARG 458 N 3.57 1.88 -1.53 5.12 3.52 -0.51 -4.83 118.95 126.17 1hkx s ARG 458 Ca 0.45 -0.40 -0.06 0.00 -0.13 0.00 0.00 55.73 55.58 1hkx s ARG 458 Cb -0.13 -1.79 0.06 0.00 -1.56 0.00 0.00 34.95 31.53 1hkx s ARG 458 CO 0.14 -0.21 0.47 -0.25 -0.81 0.00 0.00 175.30 174.64 1hkx n ASP 459 N 4.72 -1.08 0.00 -2.12 8.00 -1.26 -2.41 116.55 122.40 1hkx n ASP 459 Ca -0.15 -1.06 0.00 0.00 0.71 0.00 0.00 54.79 54.29 1hkx n ASP 459 Cb 0.50 -2.70 0.00 0.00 -0.02 0.00 0.00 41.12 38.90 1hkx n ASP 459 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hkx n GLY 460 N -1.87 2.96 3.84 0.44 0.00 -1.26 -5.04 105.19 104.25 1hkx n GLY 460 Ca -0.18 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 1hkx n GLY 460 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hkx s LYS 461 N 0.00 3.15 0.22 1.61 -2.85 -1.01 -5.06 119.74 115.79 1hkx s LYS 461 Ca 0.00 -0.54 -0.30 0.00 -1.00 0.00 0.00 55.97 54.13 1hkx s LYS 461 Cb 0.00 -2.88 -0.09 0.00 -2.06 0.00 0.00 37.83 32.80 1hkx s LYS 461 CO 0.00 0.60 1.03 -1.58 0.10 0.00 0.00 175.35 175.50 1hkx s TRP 462 N -1.40 3.75 0.02 1.78 0.52 -1.26 -1.42 118.94 120.93 1hkx s TRP 462 Ca 0.30 1.76 0.03 0.00 0.02 0.00 0.00 56.10 58.21 1hkx s TRP 462 Cb -0.12 -3.15 -0.02 0.00 -1.15 0.00 0.00 33.47 29.03 1hkx s TRP 462 CO 0.23 -0.13 -0.09 -0.65 0.02 0.00 0.00 176.95 176.33 1hkx s GLN 463 N -0.95 0.64 -0.03 4.98 -0.21 0.07 -4.76 119.66 119.39 1hkx s GLN 463 Ca 0.45 -0.53 -0.30 0.00 0.02 0.00 0.00 55.36 54.99 1hkx s GLN 463 Cb -0.28 -0.57 -0.03 0.00 1.00 0.00 0.00 33.01 33.14 1hkx s GLN 463 CO 0.35 0.14 0.99 0.42 -2.12 0.00 0.00 175.29 175.07 1hkx s ILE 464 N -0.71 4.83 -0.04 1.08 1.01 0.20 -0.53 121.20 127.04 1hkx s ILE 464 Ca -0.01 2.04 0.17 0.00 0.00 0.00 0.00 60.65 62.85 1hkx s ILE 464 Cb -0.06 -4.31 -0.26 0.00 0.01 0.00 0.00 42.46 37.84 1hkx s ILE 464 CO 0.00 0.12 0.33 0.55 0.00 0.00 0.00 174.94 175.94 1hkx n VAL 465 N 4.08 0.15 -3.60 2.92 3.14 0.13 -0.84 118.33 124.31 1hkx n VAL 465 Ca 0.07 -0.43 -0.10 0.00 -2.96 0.00 0.00 64.34 60.92 1hkx n VAL 465 Cb 0.50 0.01 -0.06 0.00 -1.06 0.00 0.00 33.84 33.24 1hkx n VAL 465 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1hkx s HIS 466 N -3.08 -0.43 -0.02 1.45 5.65 -1.22 -1.87 115.29 115.77 1hkx s HIS 466 Ca -0.06 0.91 -0.11 0.00 0.25 0.00 0.00 55.06 56.05 1hkx s HIS 466 Cb 0.10 0.41 0.01 0.00 -1.18 0.00 0.00 32.58 31.92 1hkx s HIS 466 CO 0.70 -0.30 0.22 -0.59 -0.65 0.00 0.00 174.74 174.13 1hkx s PHE 467 N -0.45 -0.09 -0.10 3.88 -0.12 -0.75 -0.29 117.98 120.07 1hkx s PHE 467 Ca 0.00 0.13 -0.01 0.00 -0.05 0.00 0.00 56.93 57.00 1hkx s PHE 467 Cb -0.03 0.03 0.03 0.00 -0.63 0.00 0.00 43.02 42.42 1hkx s PHE 467 CO -0.02 -0.31 -0.04 -1.58 -0.05 0.00 0.00 175.22 173.22 1hkx s HIS 468 N -1.19 1.12 -0.04 3.49 2.46 -0.39 -1.51 115.29 119.22 1hkx s HIS 468 Ca -0.13 -0.49 0.05 0.00 0.47 0.00 0.00 55.06 54.97 1hkx s HIS 468 Cb -0.06 -1.04 -0.02 0.00 -0.13 0.00 0.00 32.58 31.33 1hkx s HIS 468 CO 0.03 -0.43 -0.19 0.50 -2.47 0.00 0.00 174.74 172.17 1hkx s ARG 469 N 1.83 2.39 -0.08 2.88 3.52 0.21 -1.05 118.95 128.65 1hkx s ARG 469 Ca 0.05 -0.79 0.02 0.00 -0.13 0.00 0.00 55.73 54.88 1hkx s ARG 469 Cb -0.12 -2.26 0.01 0.00 -1.56 0.00 0.00 34.95 31.02 1hkx s ARG 469 CO -0.07 0.58 -0.13 -1.12 -0.81 0.00 0.00 175.30 173.75 1hkx s SER 470 N -0.63 2.06 0.00 -2.12 0.01 -0.16 -4.24 113.70 108.61 1hkx s SER 470 Ca 0.10 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.01 1hkx s SER 470 Cb -0.11 -0.92 0.00 0.00 0.21 0.00 0.00 66.02 65.20 1hkx s SER 470 CO 0.00 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.28 1hkx n GLY 471 N 4.05 0.77 0.00 3.44 0.00 -1.26 -0.85 105.19 111.34 1hkx n GLY 471 Ca -0.20 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1hkx n GLY 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hkx n ALA 472 N -1.00 0.00 -1.00 4.61 0.00 -1.26 -4.81 120.51 117.05 1hkx n ALA 472 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1hkx n ALA 472 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1hkx n ALA 472 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1hkx n PRO 473 N 0.00 0.00 0.00 0.00 -0.02 -1.26 -4.97 135.00 128.75 1hkx n PRO 473 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1hkx n PRO 473 Cb 0.00 -0.23 0.00 0.00 -0.02 0.00 0.00 33.50 33.25 1hkx n PRO 473 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1hkx n SER 474 N 0.00 0.00 0.00 2.55 2.88 -1.26 -5.11 113.62 112.68 1hkx n SER 474 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1hkx n SER 474 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1hkx n SER 474 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14