#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 0.00 -0.31 2.28 -5.35 -1.26 -5.13 119.36 109.59 1hkx n ILE 338 Ca 0.00 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.19 1hkx n ILE 338 Cb 0.00 0.00 0.27 0.00 -1.74 0.00 0.00 39.64 38.17 1hkx n ILE 338 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1hkx n GLU 339 N -0.04 -4.15 -0.81 6.28 -0.58 -1.26 -4.14 120.64 115.94 1hkx n GLU 339 Ca 0.00 -1.23 0.00 0.00 -0.42 0.00 0.00 57.16 55.51 1hkx n GLU 339 Cb 0.00 -1.90 0.00 0.00 -0.57 0.00 0.00 31.44 28.97 1hkx n GLU 339 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1hkx n ASP 340 N -5.02 0.00 -0.20 1.62 8.00 -1.26 -4.68 116.55 115.02 1hkx n ASP 340 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1hkx n ASP 340 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 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 -0.08 0.92 0.28 -1.24 0.00 -1.26 -4.00 120.64 115.28 1hkx n GLU 341 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.27 1hkx n GLU 341 Cb 0.00 -1.18 0.59 0.00 0.00 0.00 0.00 31.44 30.84 1hkx n GLU 341 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 1hkx h ASP 342 N 0.03 0.00 0.00 4.31 -0.00 -1.95 0.25 116.42 119.06 1hkx h ASP 342 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1hkx h ASP 342 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.51 1hkx h ASP 342 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 179.24 179.59 1hkx n THR 343 N -2.59 0.00 -0.13 1.15 -2.24 -1.26 -0.80 114.28 108.41 1hkx n THR 343 Ca -0.01 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.50 1hkx n THR 343 Cb 0.44 -0.29 -0.09 0.00 -2.10 0.00 0.00 70.33 68.29 1hkx n THR 343 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1hkx n LYS 344 N -0.21 0.57 0.23 -0.78 3.00 0.08 -3.76 118.16 117.28 1hkx n LYS 344 Ca 0.00 0.25 0.13 0.00 -0.00 0.00 0.00 58.31 58.69 1hkx n LYS 344 Cb 0.02 -1.46 0.29 0.00 0.00 0.00 0.00 35.03 33.89 1hkx n LYS 344 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1hkx h VAL 345 N -0.98 0.00 0.18 3.15 -1.51 -1.41 -0.60 116.25 115.09 1hkx h VAL 345 Ca -0.60 -0.86 -0.01 0.00 -1.23 0.00 0.00 66.70 64.00 1hkx h VAL 345 Cb 1.52 1.86 0.00 0.00 -2.13 0.00 0.00 31.29 32.54 1hkx h VAL 345 CO -0.36 0.00 -0.09 0.03 -1.23 0.00 0.00 177.57 175.92 1hkx h ARG 346 N 0.00 -0.24 -0.46 5.19 3.08 -1.17 0.78 114.38 121.56 1hkx h ARG 346 Ca 0.00 0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1hkx h ARG 346 Cb 0.88 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 1hkx h ARG 346 CO 0.00 0.12 0.06 0.87 -1.07 0.00 0.00 179.97 179.95 1hkx h LYS 347 N -0.64 0.71 0.00 0.04 1.57 -1.64 -2.09 116.57 114.53 1hkx h LYS 347 Ca -0.03 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 1hkx h LYS 347 Cb 0.47 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1hkx h LYS 347 CO 0.04 0.69 -0.17 0.37 -0.57 0.00 0.00 179.45 179.81 1hkx h GLN 348 N 0.68 0.00 -0.16 3.15 5.75 -0.93 -0.83 115.11 122.77 1hkx h GLN 348 Ca 0.15 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.50 1hkx h GLN 348 Cb 0.33 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.89 1hkx h GLN 348 CO 0.01 0.17 -0.47 1.49 -2.65 0.00 0.00 178.83 177.38 1hkx h GLU 349 N 0.00 0.60 -0.90 1.69 4.81 -0.15 -1.31 114.58 119.32 1hkx h GLU 349 Ca -0.00 -0.43 0.02 0.00 -0.13 0.00 0.00 59.36 58.81 1hkx h GLU 349 Cb 0.34 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 1hkx h GLU 349 CO 0.02 1.05 0.59 0.82 -0.73 0.00 0.00 179.01 180.76 1hkx h ILE 350 N 0.25 1.21 -0.13 2.32 5.03 -1.08 0.84 117.51 125.94 1hkx h ILE 350 Ca -0.01 -0.41 -0.11 0.00 -0.12 0.00 0.00 64.86 64.21 1hkx h ILE 350 Cb 1.09 -0.09 -0.01 0.00 -3.03 0.00 0.00 36.82 34.78 1hkx h ILE 350 CO 0.10 0.22 -0.38 0.40 -0.68 0.00 0.00 178.15 177.80 1hkx h ILE 351 N 1.19 1.30 0.06 -0.67 2.04 -1.09 -1.53 117.51 118.81 1hkx h ILE 351 Ca 0.34 -1.47 -0.00 0.00 1.00 0.00 0.00 64.86 64.73 1hkx h ILE 351 Cb -0.10 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1hkx h ILE 351 CO -0.08 0.44 -0.03 0.50 0.00 0.00 0.00 178.15 178.98 1hkx h LYS 352 N 0.24 -0.07 -0.61 2.37 1.63 0.27 0.51 116.57 120.91 1hkx h LYS 352 Ca 0.03 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.75 1hkx h LYS 352 Cb 0.79 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.41 1hkx h LYS 352 CO 0.06 0.01 0.08 -0.39 -3.45 0.00 0.00 179.45 175.76 1hkx h VAL 353 N -0.13 1.26 -0.17 2.00 -1.51 -0.84 -0.14 116.25 116.72 1hkx h VAL 353 Ca -0.01 -1.03 -0.04 0.00 -1.23 0.00 0.00 66.70 64.38 1hkx h VAL 353 Cb 0.11 0.74 -0.01 0.00 -2.13 0.00 0.00 31.29 30.00 1hkx h VAL 353 CO 0.01 0.38 -0.09 0.74 -1.23 0.00 0.00 177.57 177.38 1hkx h THR 354 N 0.93 1.17 0.04 7.19 2.02 -1.15 0.27 112.91 123.37 1hkx h THR 354 Ca 0.18 -0.72 -0.26 0.00 0.77 0.00 0.00 66.41 66.38 1hkx h THR 354 Cb 0.45 1.15 0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1hkx h THR 354 CO 0.02 0.23 -1.08 -0.08 0.37 0.00 0.00 175.52 174.97 1hkx h GLU 355 N 0.25 0.55 0.36 6.66 4.81 -0.52 -1.95 114.58 124.74 1hkx h GLU 355 Ca 0.05 -0.65 -0.02 0.00 -0.13 0.00 0.00 59.36 58.62 1hkx h GLU 355 Cb 0.33 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1hkx h GLU 355 CO 0.02 1.26 -0.17 1.96 -0.73 0.00 0.00 179.01 181.34 1hkx h GLN 356 N 0.28 -0.47 -0.97 1.92 4.20 -0.41 -1.41 115.11 118.25 1hkx h GLN 356 Ca -0.13 0.03 0.20 0.00 0.06 0.00 0.00 58.65 58.82 1hkx h GLN 356 Cb 1.74 0.11 -0.11 0.00 0.30 0.00 0.00 27.48 29.51 1hkx h GLN 356 CO 0.20 -0.27 0.56 1.25 -0.67 0.00 0.00 178.83 179.90 1hkx h LEU 357 N -0.55 0.68 -0.66 1.46 5.85 -0.50 0.20 115.31 121.78 1hkx h LEU 357 Ca -0.05 0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 1hkx h LEU 357 Cb 0.41 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1hkx h LEU 357 CO 0.08 0.19 -0.62 0.40 -0.34 0.00 0.00 178.44 178.15 1hkx h ILE 358 N 0.66 1.35 -0.33 4.05 2.04 -1.05 -2.75 117.51 121.46 1hkx h ILE 358 Ca 0.58 -2.19 -0.17 0.00 1.00 0.00 0.00 64.86 64.09 1hkx h ILE 358 Cb 0.98 2.21 -0.00 0.00 -0.74 0.00 0.00 36.82 39.27 1hkx h ILE 358 CO -0.42 0.61 -0.46 -0.08 0.00 0.00 0.00 178.15 177.79 1hkx h GLU 359 N 0.00 0.88 -0.24 2.37 4.81 0.47 -1.15 114.58 121.72 1hkx h GLU 359 Ca -0.01 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1hkx h GLU 359 Cb 1.16 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1hkx h GLU 359 CO 0.08 1.15 0.16 0.00 -0.73 0.00 0.00 179.01 179.66 1hkx h ALA 360 N 0.77 0.31 -0.84 2.92 0.00 -1.18 0.07 119.26 121.30 1hkx h ALA 360 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1hkx h ALA 360 Cb 1.06 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1hkx h ALA 360 CO 0.11 -0.21 0.50 0.82 0.00 0.00 0.00 179.25 180.47 1hkx h ILE 361 N 0.32 1.23 0.00 0.00 2.04 -1.40 -1.32 117.51 118.39 1hkx h ILE 361 Ca 0.09 -0.52 -0.08 0.00 1.00 0.00 0.00 64.86 65.35 1hkx h ILE 361 Cb -0.02 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 1hkx h ILE 361 CO -0.02 0.25 -0.36 0.28 0.00 0.00 0.00 178.15 178.30 1hkx h SER 362 N 1.15 0.00 0.28 1.72 0.02 -0.51 -3.03 113.55 113.19 1hkx h SER 362 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1hkx h SER 362 Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1hkx h SER 362 CO -0.06 0.36 -0.56 0.59 -1.14 0.00 0.00 176.83 176.02 1hkx n ASN 363 N -4.11 0.87 -2.44 3.07 3.02 -0.05 -4.94 115.26 110.68 1hkx n ASN 363 Ca -0.02 -0.68 -0.08 0.00 -0.03 0.00 0.00 54.58 53.77 1hkx n ASN 363 Cb 0.39 0.42 0.04 0.00 -0.61 0.00 0.00 39.78 40.02 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 1.46 -0.19 2.77 7.41 0.00 -0.57 -4.93 105.19 111.14 1hkx n GLY 364 Ca 0.07 0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.29 3.97 0.33 1.61 3.68 -0.79 -4.97 116.67 117.20 1hkx s ASP 365 Ca 0.22 -3.61 0.04 0.00 2.13 0.00 0.00 52.55 51.33 1hkx s ASP 365 Cb -0.03 -1.33 0.65 0.00 -1.45 0.00 0.00 42.92 40.77 1hkx s ASP 365 CO 0.40 -0.11 1.90 0.15 0.13 0.00 0.00 175.17 177.64 1hkx h PHE 366 N 5.52 0.94 0.14 -5.34 3.57 -1.94 -2.51 116.94 117.32 1hkx h PHE 366 Ca 0.16 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.70 1hkx h PHE 366 Cb 0.80 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 1hkx h PHE 366 CO 0.57 0.44 -0.25 0.93 -2.23 0.00 0.00 178.31 177.77 1hkx h GLU 367 N 0.88 -0.46 -0.67 1.11 3.07 -1.97 0.93 114.58 117.47 1hkx h GLU 367 Ca 0.40 0.03 0.05 0.00 -0.50 0.00 0.00 59.36 59.34 1hkx h GLU 367 Cb 0.38 0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 28.34 1hkx h GLU 367 CO -0.17 -0.30 0.38 0.77 -1.40 0.00 0.00 179.01 178.29 1hkx h SER 368 N -0.47 0.58 -0.38 1.42 0.02 -1.89 -2.40 113.55 110.43 1hkx h SER 368 Ca 0.02 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1hkx h SER 368 Cb 0.48 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 1hkx h SER 368 CO -0.13 0.38 0.10 0.22 -1.14 0.00 0.00 176.83 176.26 1hkx h TYR 369 N 0.71 0.17 -0.63 3.45 3.20 -0.94 -2.56 116.97 120.37 1hkx h TYR 369 Ca 0.29 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.13 1hkx h TYR 369 Cb 0.15 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1hkx h TYR 369 CO -0.07 0.05 0.18 1.15 -1.64 0.00 0.00 178.16 177.82 1hkx h THR 370 N 0.24 1.24 -0.24 1.81 2.02 -0.40 -2.64 112.91 114.94 1hkx h THR 370 Ca 0.18 -0.85 0.07 0.00 0.77 0.00 0.00 66.41 66.57 1hkx h THR 370 Cb 0.19 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1hkx h THR 370 CO -0.21 0.33 0.18 0.50 0.37 0.00 0.00 175.52 176.69 1hkx h LYS 371 N 0.93 0.00 -0.55 6.66 3.64 -1.02 0.16 116.57 126.39 1hkx h LYS 371 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1hkx h LYS 371 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1hkx h LYS 371 CO -0.00 0.00 0.00 -1.33 -2.27 0.00 0.00 179.45 175.85 1hkx n MET 372 N -4.35 2.47 -5.19 1.90 2.81 -1.01 -4.86 117.12 108.89 1hkx n MET 372 Ca 0.03 -2.26 -0.32 0.00 -1.81 0.00 0.00 57.70 53.34 1hkx n MET 372 Cb 0.33 -1.51 -0.16 0.00 -0.71 0.00 0.00 33.22 31.17 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 0.01 7.19 0.61 0.00 3.68 -0.79 -4.82 116.67 122.55 1hkx s ASP 374 Ca -0.08 2.18 0.31 0.00 2.13 0.00 0.00 52.55 57.09 1hkx s ASP 374 Cb -0.15 -2.61 1.73 0.00 -1.45 0.00 0.00 42.92 40.44 1hkx s ASP 374 CO 0.05 -0.27 2.10 -0.65 0.13 0.00 0.00 175.17 176.54 1hkx h PRO 375 N 4.89 0.00 -0.67 4.34 0.11 -1.91 0.08 132.00 138.85 1hkx h PRO 375 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1hkx h PRO 375 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1hkx h PRO 375 CO 0.72 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.92 1hkx n GLY 376 N -1.35 2.41 3.74 -0.55 0.00 -1.26 -3.96 105.19 104.22 1hkx n GLY 376 Ca 0.01 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 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 0.57 2.39 -4.41 1.61 0.00 0.01 -4.66 117.12 112.63 1hkx n MET 377 Ca 0.20 0.84 -0.27 0.00 0.00 0.00 0.00 57.70 58.47 1hkx n MET 377 Cb 0.87 -2.50 -0.12 0.00 0.00 0.00 0.00 33.22 31.47 1hkx n MET 377 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1hkx s THR 378 N -1.11 2.42 -0.02 1.12 -4.23 -1.19 -0.03 115.64 112.59 1hkx s THR 378 Ca 0.55 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.90 1hkx s THR 378 Cb -0.52 -2.16 0.03 0.00 1.34 0.00 0.00 72.50 71.19 1hkx s THR 378 CO 0.63 -0.11 0.34 0.00 -0.54 0.00 0.00 174.62 174.94 1hkx s ALA 379 N -1.65 -0.87 -0.15 3.99 0.00 0.11 -2.01 121.76 121.18 1hkx s ALA 379 Ca 0.21 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.59 1hkx s ALA 379 Cb -0.08 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.12 1hkx s ALA 379 CO 0.10 -0.27 -0.17 -0.06 0.00 0.00 0.00 175.76 175.37 1hkx s PHE 380 N -1.30 2.35 0.04 0.00 2.99 -0.75 -1.16 117.98 120.14 1hkx s PHE 380 Ca -0.13 -1.30 -0.23 0.00 0.00 0.00 0.00 56.93 55.28 1hkx s PHE 380 Cb -0.05 -1.68 0.05 0.00 0.00 0.00 0.00 43.02 41.35 1hkx s PHE 380 CO 0.05 -0.67 0.52 -1.83 -0.00 0.00 0.00 175.22 173.29 1hkx s GLU 381 N 1.29 1.02 0.38 0.44 -1.05 -1.26 -0.05 118.70 119.48 1hkx s GLU 381 Ca 0.02 -0.21 0.14 0.00 -0.15 0.00 0.00 54.97 54.77 1hkx s GLU 381 Cb -0.13 0.47 0.98 0.00 -0.44 0.00 0.00 34.13 35.00 1hkx s GLU 381 CO -0.09 -0.36 1.83 -1.35 0.95 0.00 0.00 175.26 176.24 1hkx h PRO 382 N 2.84 0.50 0.00 -4.83 0.11 -1.90 -0.75 132.00 127.98 1hkx h PRO 382 Ca -0.31 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 1hkx h PRO 382 Cb 1.21 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1hkx h PRO 382 CO 0.41 0.33 -0.08 0.93 -0.21 0.00 0.00 178.00 179.38 1hkx h GLU 383 N 0.52 0.00 -0.30 1.05 3.07 -1.95 -1.75 114.58 115.23 1hkx h GLU 383 Ca 0.51 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 1hkx h GLU 383 Cb 1.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1hkx h GLU 383 CO -0.24 0.08 0.00 0.00 -1.40 0.00 0.00 179.01 177.45 1hkx n ALA 384 N -2.45 2.52 -4.07 3.43 0.00 -0.29 -4.94 120.51 114.71 1hkx n ALA 384 Ca -0.03 -0.40 -0.33 0.00 0.00 0.00 0.00 53.44 52.68 1hkx n ALA 384 Cb 0.17 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 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 0.14 -0.50 0.00 0.00 4.77 -0.66 -0.62 117.00 120.13 1hkx n LEU 385 Ca 0.07 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 1hkx n LEU 385 Cb 0.22 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 1hkx n LEU 385 CO 0.05 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1hkx n GLY 386 N -2.20 1.67 3.93 -0.72 0.00 -1.26 -5.03 105.19 101.57 1hkx n GLY 386 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.23 6.38 -0.32 1.61 0.01 0.21 -5.07 114.94 114.54 1hkx s ASN 387 Ca 0.00 0.41 -0.15 0.00 -0.71 0.00 0.00 52.86 52.41 1hkx s ASN 387 Cb 0.00 -2.01 -0.02 0.00 0.41 0.00 0.00 41.25 39.63 1hkx s ASN 387 CO 0.00 -0.06 0.36 -0.22 -1.51 0.00 0.00 177.10 175.67 1hkx s LEU 388 N -3.40 4.30 0.14 0.60 1.98 -1.26 -4.62 118.68 116.41 1hkx s LEU 388 Ca 0.39 -0.07 0.02 0.00 -2.89 0.00 0.00 54.13 51.57 1hkx s LEU 388 Cb -0.11 -2.36 -0.04 0.00 0.66 0.00 0.00 46.19 44.35 1hkx s LEU 388 CO 0.29 -0.29 0.28 0.68 -1.89 0.00 0.00 176.35 175.42 1hkx s VAL 389 N 2.03 5.33 0.03 1.68 -7.23 -0.31 -4.86 120.40 117.08 1hkx s VAL 389 Ca 0.13 -0.63 0.04 0.00 -1.81 0.00 0.00 61.98 59.70 1hkx s VAL 389 Cb -0.16 -3.73 -0.02 0.00 0.56 0.00 0.00 36.38 33.03 1hkx s VAL 389 CO 0.11 -0.06 -0.12 -0.70 -0.31 0.00 0.00 175.10 174.02 1hkx s GLU 390 N -3.13 0.82 0.00 4.82 2.12 -1.26 0.04 118.70 122.11 1hkx s GLU 390 Ca 0.35 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 55.02 1hkx s GLU 390 Cb -0.11 -0.79 0.00 0.00 0.26 0.00 0.00 34.13 33.49 1hkx s GLU 390 CO 0.28 0.20 0.00 0.41 -0.54 0.00 0.00 175.26 175.61 1hkx n GLY 391 N 2.06 -0.41 0.06 -1.50 0.00 0.96 -4.69 105.19 101.67 1hkx n GLY 391 Ca -0.18 -1.79 0.10 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.85 1.07 -0.27 0.99 4.32 -1.26 -4.43 117.00 116.57 1hkx n LEU 392 Ca 0.00 -0.48 0.01 0.00 -0.02 0.00 0.00 56.01 55.52 1hkx n LEU 392 Cb 0.00 -0.02 0.14 0.00 -1.62 0.00 0.00 43.42 41.91 1hkx n LEU 392 CO 0.00 0.25 1.12 -0.78 -1.22 0.00 0.00 177.39 176.76 1hkx h ASP 393 N 0.30 0.62 -0.78 -1.43 3.58 -1.97 -1.25 116.42 115.50 1hkx h ASP 393 Ca 0.00 0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.50 1hkx h ASP 393 Cb 0.53 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.46 1hkx h ASP 393 CO 0.00 0.37 0.52 0.15 -2.88 0.00 0.00 179.24 177.40 1hkx h PHE 394 N 0.75 0.97 0.00 0.28 3.04 -1.85 -2.00 116.94 118.13 1hkx h PHE 394 Ca 0.36 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.28 1hkx h PHE 394 Cb 0.29 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.46 1hkx h PHE 394 CO -0.07 0.61 -0.22 0.45 -2.02 0.00 0.00 178.31 177.06 1hkx h HIS 395 N 1.05 0.00 -0.01 0.41 -0.00 -1.57 -3.27 115.15 111.76 1hkx h HIS 395 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.66 1hkx h HIS 395 Cb -0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.30 1hkx h HIS 395 CO -0.00 0.22 0.00 -0.09 -0.00 0.00 0.00 177.93 178.07 1hkx h ARG 396 N 0.00 0.00 -0.17 2.45 2.43 -0.48 -2.57 114.38 116.05 1hkx h ARG 396 Ca -0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1hkx h ARG 396 Cb 1.13 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1hkx h ARG 396 CO 0.03 0.00 0.11 0.35 -1.51 0.00 0.00 179.97 178.95 1hkx h PHE 397 N 0.00 0.21 0.00 2.20 3.57 -1.64 -0.48 116.94 120.81 1hkx h PHE 397 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1hkx h PHE 397 Cb 0.01 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1hkx h PHE 397 CO -0.00 0.13 -0.29 1.88 -2.23 0.00 0.00 178.31 177.80 1hkx h TYR 398 N 0.23 0.00 0.00 0.41 -1.99 -1.70 -2.57 116.97 111.35 1hkx h TYR 398 Ca 0.06 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 1hkx h TYR 398 Cb -0.02 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.71 1hkx h TYR 398 CO -0.00 0.00 -0.22 0.74 -0.00 0.00 0.00 178.16 178.68 1hkx h PHE 399 N 0.00 0.00 -0.85 4.88 0.04 -1.40 -3.31 116.94 116.30 1hkx h PHE 399 Ca 0.00 0.00 0.18 0.00 2.80 0.00 0.00 57.97 60.95 1hkx h PHE 399 Cb 0.96 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.05 1hkx h PHE 399 CO 0.00 0.21 0.56 0.93 -0.60 0.00 0.00 178.31 179.41 1hkx h GLU 400 N -1.00 0.41 -0.83 1.51 5.08 -1.23 -2.62 114.58 115.90 1hkx h GLU 400 Ca -0.02 -0.02 -0.54 0.00 -1.00 0.00 0.00 59.36 57.78 1hkx h GLU 400 Cb 0.34 -0.09 -0.29 0.00 0.50 0.00 0.00 28.75 29.20 1hkx h GLU 400 CO -0.01 0.27 0.29 0.09 -1.00 0.00 0.00 179.01 178.64 1hkx n ASN 401 N -4.50 5.50 -2.74 1.42 4.13 -0.97 -4.69 115.26 113.41 1hkx n ASN 401 Ca 0.17 -3.75 -0.05 0.00 1.68 0.00 0.00 54.58 52.63 1hkx n ASN 401 Cb 0.63 -0.75 0.02 0.00 -1.54 0.00 0.00 39.78 38.14 1hkx n ASN 401 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1hkx n LEU 402 N -0.95 -3.03 -0.01 3.41 4.77 -0.99 -4.96 117.00 115.25 1hkx n LEU 402 Ca 0.53 -2.69 0.11 0.00 -0.03 0.00 0.00 56.01 53.92 1hkx n LEU 402 Cb 0.96 0.74 -0.15 0.00 -2.33 0.00 0.00 43.42 42.64 1hkx n LEU 402 CO 0.57 1.84 -0.45 0.79 -1.33 0.00 0.00 177.39 178.81 1hkx n TRP 403 N 2.61 0.00 -0.16 -1.77 5.03 -1.26 -4.61 117.44 117.28 1hkx n TRP 403 Ca 0.15 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.68 1hkx n TRP 403 Cb 0.59 -0.28 0.00 0.00 -1.03 0.00 0.00 31.31 30.58 1hkx n TRP 403 CO 0.00 0.00 0.00 -1.13 -0.03 0.00 0.00 177.69 176.53 1hkx n SER 404 N -1.93 1.76 0.00 -0.99 3.41 -1.26 -4.11 113.62 110.51 1hkx n SER 404 Ca -0.01 -1.46 0.05 0.00 -0.26 0.00 0.00 58.87 57.19 1hkx n SER 404 Cb 0.47 -0.37 0.23 0.00 -0.26 0.00 0.00 64.21 64.28 1hkx n SER 404 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1hkx n ARG 405 N 1.82 0.14 0.00 4.33 5.12 -1.26 -2.77 116.66 124.03 1hkx n ARG 405 Ca 0.00 0.19 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 1hkx n ARG 405 Cb 0.17 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 1hkx n ARG 405 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1hkx n ASN 406 N -1.28 0.00 -0.18 0.55 3.02 -1.26 -2.50 115.26 113.62 1hkx n ASN 406 Ca 0.04 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 1hkx n ASN 406 Cb 0.07 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1hkx n ASN 406 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1hkx n SER 407 N -0.33 0.15 -2.57 6.41 3.41 -1.22 -3.44 113.62 116.02 1hkx n SER 407 Ca 0.00 -0.80 -0.31 0.00 -0.26 0.00 0.00 58.87 57.50 1hkx n SER 407 Cb 0.00 -0.07 0.02 0.00 -0.26 0.00 0.00 64.21 63.89 1hkx n SER 407 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1hkx n LYS 408 N -0.21 3.22 -2.00 4.33 3.00 -1.04 -4.78 118.16 120.69 1hkx n LYS 408 Ca 0.00 -4.16 -0.42 0.00 -0.00 0.00 0.00 58.31 53.72 1hkx n LYS 408 Cb 0.04 -2.26 -0.03 0.00 0.00 0.00 0.00 35.03 32.78 1hkx n LYS 408 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 1hkx s PRO 409 N -3.71 4.19 -0.06 1.64 0.02 -1.22 -4.81 135.00 131.05 1hkx s PRO 409 Ca 0.50 2.21 0.04 0.00 0.02 0.00 0.00 61.00 63.76 1hkx s PRO 409 Cb 0.42 -3.90 0.00 0.00 0.02 0.00 0.00 34.50 31.04 1hkx s PRO 409 CO -0.24 -0.81 -0.18 0.08 -0.33 0.00 0.00 177.00 175.52 1hkx s VAL 410 N 3.71 1.55 -0.08 3.83 1.01 -1.26 -4.39 120.40 124.77 1hkx s VAL 410 Ca 0.73 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1hkx s VAL 410 Cb -0.34 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1hkx s VAL 410 CO 0.30 0.44 -0.03 -2.28 0.00 0.00 0.00 175.10 173.54 1hkx s HIS 411 N 0.25 3.07 0.07 5.22 2.46 -0.51 -4.97 115.29 120.88 1hkx s HIS 411 Ca -0.10 0.12 0.09 0.00 0.47 0.00 0.00 55.06 55.64 1hkx s HIS 411 Cb -0.14 -1.76 -0.03 0.00 -0.13 0.00 0.00 32.58 30.52 1hkx s HIS 411 CO 0.04 0.41 -0.24 0.99 -2.47 0.00 0.00 174.74 173.47 1hkx s THR 412 N -0.84 1.92 -0.02 0.89 2.01 -1.26 -0.92 115.64 117.42 1hkx s THR 412 Ca 0.13 -1.42 0.01 0.00 0.31 0.00 0.00 61.69 60.72 1hkx s THR 412 Cb -0.11 -1.68 0.01 0.00 0.01 0.00 0.00 72.50 70.72 1hkx s THR 412 CO 0.02 0.19 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.20 1hkx s THR 413 N -0.91 0.46 -0.61 -0.82 2.01 -0.14 -5.01 115.64 110.62 1hkx s THR 413 Ca 0.10 -0.18 -0.05 0.00 0.31 0.00 0.00 61.69 61.86 1hkx s THR 413 Cb -0.10 -0.44 0.16 0.00 0.01 0.00 0.00 72.50 72.13 1hkx s THR 413 CO 0.03 0.16 0.45 -0.63 -0.69 0.00 0.00 174.62 173.94 1hkx s ILE 414 N 0.31 4.03 0.27 1.82 1.01 -1.26 -1.75 121.20 125.64 1hkx s ILE 414 Ca -0.04 -2.61 -0.29 0.00 0.00 0.00 0.00 60.65 57.72 1hkx s ILE 414 Cb -0.07 -3.62 -0.09 0.00 0.01 0.00 0.00 42.46 38.68 1hkx s ILE 414 CO -0.00 -0.87 0.95 -0.76 0.00 0.00 0.00 174.94 174.26 1hkx s LEU 415 N 0.32 4.53 -1.34 2.97 2.01 -0.85 -4.41 118.68 121.90 1hkx s LEU 415 Ca 0.14 1.93 -0.16 0.00 0.01 0.00 0.00 54.13 56.06 1hkx s LEU 415 Cb -0.20 -3.76 0.02 0.00 0.01 0.00 0.00 46.19 42.26 1hkx s LEU 415 CO -0.04 0.06 0.44 -3.20 1.01 0.00 0.00 176.35 174.62 1hkx n ASN 416 N 1.13 -2.04 -4.77 2.29 4.05 -1.26 -1.89 115.26 112.77 1hkx n ASN 416 Ca -0.00 -1.19 -0.37 0.00 0.45 0.00 0.00 54.58 53.46 1hkx n ASN 416 Cb 0.48 -2.18 0.00 0.00 1.23 0.00 0.00 39.78 39.31 1hkx n ASN 416 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 177.26 171.37 1hkx s PRO 417 N -7.03 3.58 -0.10 1.20 0.02 -1.26 -4.57 135.00 126.84 1hkx s PRO 417 Ca 0.25 1.84 -0.03 0.00 0.02 0.00 0.00 61.00 63.07 1hkx s PRO 417 Cb -0.12 -2.32 0.04 0.00 0.02 0.00 0.00 34.50 32.13 1hkx s PRO 417 CO 0.95 -0.72 0.08 -1.01 -0.33 0.00 0.00 177.00 175.97 1hkx s HIS 418 N -1.53 0.09 -0.03 6.54 3.76 -0.42 -4.99 115.29 118.71 1hkx s HIS 418 Ca 0.67 0.06 -0.04 0.00 -0.15 0.00 0.00 55.06 55.59 1hkx s HIS 418 Cb -0.30 -0.54 -0.04 0.00 1.11 0.00 0.00 32.58 32.80 1hkx s HIS 418 CO 0.36 -0.33 0.18 0.42 -0.85 0.00 0.00 174.74 174.52 1hkx s ILE 419 N 2.17 5.44 -0.36 0.60 1.09 -1.26 -1.83 121.20 127.05 1hkx s ILE 419 Ca 0.04 -0.06 0.03 0.00 -1.10 0.00 0.00 60.65 59.56 1hkx s ILE 419 Cb -0.14 -3.52 0.11 0.00 -1.06 0.00 0.00 42.46 37.85 1hkx s ILE 419 CO -0.06 0.38 0.09 -1.00 -0.10 0.00 0.00 174.94 174.26 1hkx s HIS 420 N -1.27 3.22 -0.14 3.97 3.76 0.22 -4.96 115.29 120.09 1hkx s HIS 420 Ca 0.25 -2.76 -0.29 0.00 -0.15 0.00 0.00 55.06 52.11 1hkx s HIS 420 Cb -0.13 -2.63 -0.02 0.00 1.11 0.00 0.00 32.58 30.91 1hkx s HIS 420 CO 0.16 -0.90 1.34 -0.51 -0.85 0.00 0.00 174.74 173.97 1hkx s LEU 421 N 0.88 4.21 -0.26 0.89 1.43 -1.26 -1.73 118.68 122.83 1hkx s LEU 421 Ca 0.12 1.80 -0.04 0.00 -1.03 0.00 0.00 54.13 54.98 1hkx s LEU 421 Cb -0.20 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.50 1hkx s LEU 421 CO -0.10 -0.79 -0.01 -0.04 0.23 0.00 0.00 176.35 175.64 1hkx s MET 422 N 3.59 3.00 2.62 1.70 -1.94 -0.95 -4.99 119.30 122.35 1hkx s MET 422 Ca 0.58 -0.88 0.00 0.00 -1.71 0.00 0.00 55.69 53.68 1hkx s MET 422 Cb -0.24 -3.12 0.00 0.00 2.01 0.00 0.00 34.83 33.48 1hkx s MET 422 CO 0.18 -0.39 0.00 0.41 -0.01 0.00 0.00 175.02 175.21 1hkx n GLY 423 N 4.76 0.92 0.00 -0.03 0.00 -1.26 -2.49 105.19 107.09 1hkx n GLY 423 Ca -0.16 -0.70 0.05 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.27 1.44 -0.20 1.61 8.00 -1.26 -4.52 116.55 118.35 1hkx n ASP 424 Ca 0.00 -0.40 0.11 0.00 0.71 0.00 0.00 54.79 55.21 1hkx n ASP 424 Cb 0.00 1.23 0.10 0.00 -0.02 0.00 0.00 41.12 42.42 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 -1.54 0.55 -4.20 -1.24 1.02 -1.26 -4.93 120.64 109.04 1hkx n GLU 425 Ca 0.00 -0.41 -0.12 0.00 -0.02 0.00 0.00 57.16 56.62 1hkx n GLU 425 Cb 0.22 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.05 1hkx n GLU 425 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1hkx s SER 426 N -2.73 0.79 0.14 1.62 1.04 -1.04 0.22 113.70 113.73 1hkx s SER 426 Ca 0.15 -1.20 -0.24 0.00 0.48 0.00 0.00 55.95 55.15 1hkx s SER 426 Cb 0.18 0.20 0.07 0.00 0.10 0.00 0.00 66.02 66.57 1hkx s SER 426 CO 0.67 -0.65 0.64 0.00 0.98 0.00 0.00 173.24 174.88 1hkx s ALA 427 N -3.84 -1.63 -0.03 5.32 0.00 -0.49 -2.23 121.76 118.86 1hkx s ALA 427 Ca 0.25 0.56 -0.01 0.00 0.00 0.00 0.00 51.96 52.75 1hkx s ALA 427 Cb 0.07 0.82 0.03 0.00 0.00 0.00 0.00 23.12 24.04 1hkx s ALA 427 CO 0.03 -0.76 0.05 0.00 0.00 0.00 0.00 175.76 175.09 1hkx s ILE 429 N 1.34 1.41 -0.04 0.00 2.07 -0.68 0.69 121.20 125.98 1hkx s ILE 429 Ca -0.06 -0.72 0.03 0.00 -1.41 0.00 0.00 60.65 58.49 1hkx s ILE 429 Cb -0.13 -1.20 0.01 0.00 0.13 0.00 0.00 42.46 41.27 1hkx s ILE 429 CO -0.03 0.40 -0.12 0.00 -1.91 0.00 0.00 174.94 173.28 1hkx s ALA 430 N -0.10 1.16 0.25 1.50 0.00 -0.76 -1.02 121.76 122.79 1hkx s ALA 430 Ca -0.00 -0.45 -0.18 0.00 0.00 0.00 0.00 51.96 51.33 1hkx s ALA 430 Cb -0.10 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.59 1hkx s ALA 430 CO 0.01 0.17 0.60 1.52 0.00 0.00 0.00 175.76 178.06 1hkx s TYR 431 N 0.31 -0.02 -0.05 0.00 -0.85 -0.98 -1.30 117.35 114.45 1hkx s TYR 431 Ca -0.07 -0.37 -0.15 0.00 -0.52 0.00 0.00 57.07 55.96 1hkx s TYR 431 Cb -0.12 0.48 -0.05 0.00 0.38 0.00 0.00 41.96 42.65 1hkx s TYR 431 CO 0.02 -1.08 0.38 0.42 -1.52 0.00 0.00 175.55 173.77 1hkx s ILE 432 N -3.93 5.13 -0.32 -3.49 -1.09 -0.79 -1.68 121.20 115.03 1hkx s ILE 432 Ca 0.14 0.77 -0.05 0.00 -2.23 0.00 0.00 60.65 59.28 1hkx s ILE 432 Cb -0.03 -3.69 0.04 0.00 -1.58 0.00 0.00 42.46 37.19 1hkx s ILE 432 CO 0.05 0.52 0.06 -0.60 -1.23 0.00 0.00 174.94 173.73 1hkx s ARG 433 N -0.60 2.64 -0.17 2.79 3.52 0.24 -2.01 118.95 125.36 1hkx s ARG 433 Ca 0.22 -1.15 -0.05 0.00 -0.13 0.00 0.00 55.73 54.62 1hkx s ARG 433 Cb -0.16 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 29.87 1hkx s ARG 433 CO 0.11 -0.60 0.00 0.42 -0.81 0.00 0.00 175.30 174.42 1hkx s ILE 434 N 1.37 4.20 -0.05 4.11 -1.09 -0.72 -1.32 121.20 127.70 1hkx s ILE 434 Ca -0.02 -0.24 0.01 0.00 -2.23 0.00 0.00 60.65 58.17 1hkx s ILE 434 Cb -0.19 -2.87 0.02 0.00 -1.58 0.00 0.00 42.46 37.84 1hkx s ILE 434 CO 0.01 0.47 -0.07 0.28 -1.23 0.00 0.00 174.94 174.40 1hkx s THR 435 N 0.49 0.73 -0.28 2.92 -1.32 -0.54 -0.97 115.64 116.68 1hkx s THR 435 Ca -0.01 -0.23 -0.11 0.00 -1.21 0.00 0.00 61.69 60.13 1hkx s THR 435 Cb -0.14 -0.72 -0.05 0.00 -1.51 0.00 0.00 72.50 70.09 1hkx s THR 435 CO 0.02 0.27 0.18 -1.10 -2.21 0.00 0.00 174.62 171.78 1hkx s GLN 436 N 0.85 3.91 0.28 7.08 -0.21 -0.10 -1.34 119.66 130.13 1hkx s GLN 436 Ca -0.12 -0.34 0.03 0.00 0.02 0.00 0.00 55.36 54.95 1hkx s GLN 436 Cb -0.15 -3.63 -0.06 0.00 1.00 0.00 0.00 33.01 30.18 1hkx s GLN 436 CO 0.01 -0.18 0.06 1.52 -2.12 0.00 0.00 175.29 174.58 1hkx s TYR 437 N 1.75 1.70 0.00 0.91 -0.85 -0.75 -1.42 117.35 118.68 1hkx s TYR 437 Ca 0.07 -1.04 0.00 0.00 -0.52 0.00 0.00 57.07 55.58 1hkx s TYR 437 Cb -0.16 -1.04 0.00 0.00 0.38 0.00 0.00 41.96 41.14 1hkx s TYR 437 CO 0.10 -0.14 0.00 1.28 -1.52 0.00 0.00 175.55 175.27 1hkx n LEU 438 N -0.53 0.00 0.00 -3.49 7.99 -1.26 -1.53 117.00 118.17 1hkx n LEU 438 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 1hkx n LEU 438 Cb 0.66 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.97 1hkx n LEU 438 CO 0.39 0.00 0.00 -0.90 -1.51 0.00 0.00 177.39 175.37 1hkx n ASP 439 N 0.00 0.00 -3.93 -1.43 5.75 -1.26 -4.42 116.55 111.26 1hkx n ASP 439 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.48 1hkx n ASP 439 Cb 0.00 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.11 1hkx n ASP 439 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hkx n ALA 440 N 1.73 -1.37 0.00 2.12 0.00 -1.26 0.10 120.51 121.83 1hkx n ALA 440 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1hkx n ALA 440 Cb 0.00 -4.10 0.00 0.00 0.00 0.00 0.00 19.45 15.35 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 -1.67 3.19 0.00 0.00 0.00 -1.26 -3.51 105.19 101.94 1hkx n GLY 441 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 1.07 3.84 -0.02 0.00 0.28 -5.10 105.19 103.26 1hkx n GLY 442 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 4.55 0.06 -0.61 1.01 -0.83 -4.70 121.20 118.67 1hkx s ILE 443 Ca 0.00 1.18 -0.30 0.00 0.00 0.00 0.00 60.65 61.53 1hkx s ILE 443 Cb 0.00 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 1hkx s ILE 443 CO 0.00 -0.27 1.15 -2.84 0.00 0.00 0.00 174.94 172.98 1hkx s PRO 444 N -3.14 4.46 0.09 2.79 0.02 -1.26 -4.28 135.00 133.68 1hkx s PRO 444 Ca 0.58 1.70 0.03 0.00 0.02 0.00 0.00 61.00 63.33 1hkx s PRO 444 Cb -0.10 -3.36 -0.04 0.00 0.02 0.00 0.00 34.50 31.02 1hkx s PRO 444 CO 0.16 -0.20 -0.09 1.03 -0.33 0.00 0.00 177.00 177.57 1hkx s ARG 445 N 0.98 0.81 -0.03 5.54 1.81 -0.58 -5.02 118.95 122.45 1hkx s ARG 445 Ca 0.57 -1.16 0.05 0.00 -1.72 0.00 0.00 55.73 53.47 1hkx s ARG 445 Cb -0.28 -0.43 -0.01 0.00 -0.45 0.00 0.00 34.95 33.78 1hkx s ARG 445 CO 0.29 0.06 -0.17 0.99 -0.68 0.00 0.00 175.30 175.78 1hkx s THR 446 N -2.60 1.41 0.15 0.02 2.01 -1.26 -1.81 115.64 113.56 1hkx s THR 446 Ca 0.05 -0.73 0.08 0.00 0.31 0.00 0.00 61.69 61.40 1hkx s THR 446 Cb -0.02 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 1hkx s THR 446 CO -0.01 0.40 -0.19 0.00 -0.69 0.00 0.00 174.62 174.14 1hkx s ALA 447 N -0.19 1.94 0.03 7.40 0.00 -0.45 -4.98 121.76 125.51 1hkx s ALA 447 Ca 0.02 -1.42 0.03 0.00 0.00 0.00 0.00 51.96 50.58 1hkx s ALA 447 Cb -0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1hkx s ALA 447 CO 0.01 0.26 -0.09 -1.14 0.00 0.00 0.00 175.76 174.80 1hkx s GLN 448 N -2.58 0.59 -0.08 0.00 0.74 -1.26 -1.47 119.66 115.61 1hkx s GLN 448 Ca 0.13 -0.62 -0.28 0.00 0.05 0.00 0.00 55.36 54.64 1hkx s GLN 448 Cb -0.07 -0.48 0.06 0.00 1.10 0.00 0.00 33.01 33.63 1hkx s GLN 448 CO 0.06 0.11 0.65 -1.54 -0.55 0.00 0.00 175.29 174.01 1hkx s SER 449 N -1.12 -0.62 -0.08 6.67 1.04 -0.43 -1.34 113.70 117.81 1hkx s SER 449 Ca -0.04 0.78 -0.16 0.00 0.48 0.00 0.00 55.95 57.01 1hkx s SER 449 Cb -0.07 0.68 -0.05 0.00 0.10 0.00 0.00 66.02 66.67 1hkx s SER 449 CO 0.00 -0.53 0.43 -1.61 0.98 0.00 0.00 173.24 172.52 1hkx s GLU 450 N -0.91 4.19 0.01 4.02 8.01 -0.11 0.80 118.70 134.70 1hkx s GLU 450 Ca -0.09 0.38 0.04 0.00 0.01 0.00 0.00 54.97 55.32 1hkx s GLU 450 Cb -0.01 -3.36 -0.01 0.00 -4.31 0.00 0.00 34.13 26.43 1hkx s GLU 450 CO 0.08 0.35 -0.14 -1.21 0.01 0.00 0.00 175.26 174.35 1hkx s GLU 451 N 0.01 1.02 -0.09 1.61 2.02 -0.67 -1.13 118.70 121.47 1hkx s GLU 451 Ca 0.24 -0.59 0.04 0.00 0.02 0.00 0.00 54.97 54.67 1hkx s GLU 451 Cb -0.15 -1.00 0.00 0.00 0.10 0.00 0.00 34.13 33.08 1hkx s GLU 451 CO 0.10 0.26 -0.21 0.99 0.02 0.00 0.00 175.26 176.43 1hkx s THR 452 N -0.54 1.81 -0.19 3.63 2.01 -0.07 -2.33 115.64 119.96 1hkx s THR 452 Ca 0.04 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.16 1hkx s THR 452 Cb -0.06 -1.58 0.04 0.00 0.01 0.00 0.00 72.50 70.91 1hkx s THR 452 CO 0.00 0.51 -0.09 -0.13 -0.69 0.00 0.00 174.62 174.22 1hkx s ARG 453 N 0.41 1.84 -0.38 4.92 1.81 -0.19 -1.39 118.95 125.98 1hkx s ARG 453 Ca -0.17 -0.75 -0.15 0.00 -1.72 0.00 0.00 55.73 52.93 1hkx s ARG 453 Cb -0.17 -2.30 0.00 0.00 -0.45 0.00 0.00 34.95 32.03 1hkx s ARG 453 CO 0.07 -0.43 0.36 0.08 -0.68 0.00 0.00 175.30 174.70 1hkx s VAL 454 N 1.47 5.17 0.07 3.52 1.01 -0.09 -1.69 120.40 129.86 1hkx s VAL 454 Ca -0.01 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1hkx s VAL 454 Cb -0.16 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1hkx s VAL 454 CO -0.08 -0.22 0.17 0.26 0.00 0.00 0.00 175.10 175.23 1hkx s TRP 455 N 1.96 3.41 -0.10 5.22 0.52 0.42 -0.06 118.94 130.31 1hkx s TRP 455 Ca 0.10 0.19 -0.05 0.00 0.02 0.00 0.00 56.10 56.37 1hkx s TRP 455 Cb -0.17 -1.71 0.04 0.00 -1.15 0.00 0.00 33.47 30.48 1hkx s TRP 455 CO 0.12 0.57 0.23 -1.58 0.02 0.00 0.00 176.95 176.30 1hkx s HIS 456 N -1.47 -0.30 -0.30 -1.98 2.46 -0.65 -1.40 115.29 111.65 1hkx s HIS 456 Ca 0.33 0.73 -0.25 0.00 0.47 0.00 0.00 55.06 56.33 1hkx s HIS 456 Cb -0.13 0.02 0.01 0.00 -0.13 0.00 0.00 32.58 32.35 1hkx s HIS 456 CO 0.26 -0.22 0.88 0.50 -2.47 0.00 0.00 174.74 173.69 1hkx s ARG 457 N 1.26 4.01 -0.19 2.88 3.52 0.13 -1.88 118.95 128.68 1hkx s ARG 457 Ca -0.09 0.77 -0.04 0.00 -0.13 0.00 0.00 55.73 56.24 1hkx s ARG 457 Cb -0.11 -3.72 -0.02 0.00 -1.56 0.00 0.00 34.95 29.54 1hkx s ARG 457 CO -0.08 -0.73 -0.03 0.50 -0.81 0.00 0.00 175.30 174.14 1hkx s ARG 458 N 3.16 3.54 7.78 5.12 3.52 -0.81 -4.93 118.95 136.32 1hkx s ARG 458 Ca 0.37 -0.57 0.00 0.00 -0.13 0.00 0.00 55.73 55.40 1hkx s ARG 458 Cb -0.14 -2.97 0.00 0.00 -1.56 0.00 0.00 34.95 30.28 1hkx s ARG 458 CO 0.13 0.03 0.00 -0.25 -0.81 0.00 0.00 175.30 174.40 1hkx n ASP 459 N 4.14 0.00 -0.00 -2.12 8.00 -1.26 -2.21 116.55 123.10 1hkx n ASP 459 Ca -0.18 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.40 1hkx n ASP 459 Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.52 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 0.00 -0.60 3.88 0.44 0.00 -1.26 -4.97 105.19 102.67 1hkx n GLY 460 Ca 0.00 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.66 3.53 0.47 1.61 0.00 -0.94 -5.08 119.74 116.68 1hkx s LYS 461 Ca 0.05 -0.05 -0.18 0.00 0.00 0.00 0.00 55.97 55.78 1hkx s LYS 461 Cb 0.12 -3.17 -0.09 0.00 0.00 0.00 0.00 37.83 34.69 1hkx s LYS 461 CO 0.69 0.74 0.96 -1.58 0.00 0.00 0.00 175.35 176.16 1hkx s TRP 462 N -1.10 3.39 -0.02 1.78 0.52 -1.26 -1.93 118.94 120.32 1hkx s TRP 462 Ca 0.19 1.51 -0.05 0.00 0.02 0.00 0.00 56.10 57.77 1hkx s TRP 462 Cb -0.13 -2.80 0.00 0.00 -1.15 0.00 0.00 33.47 29.39 1hkx s TRP 462 CO 0.08 -0.24 0.12 -0.65 0.02 0.00 0.00 176.95 176.29 1hkx s GLN 463 N -3.65 0.33 -0.20 4.98 -0.21 -0.79 -4.65 119.66 115.48 1hkx s GLN 463 Ca 0.60 -0.18 -0.29 0.00 0.02 0.00 0.00 55.36 55.51 1hkx s GLN 463 Cb -0.10 0.14 -0.01 0.00 1.00 0.00 0.00 33.01 34.05 1hkx s GLN 463 CO 0.23 -0.07 1.22 0.42 -2.12 0.00 0.00 175.29 174.97 1hkx s ILE 464 N -0.79 4.35 -0.08 1.08 -1.09 0.37 -1.63 121.20 123.41 1hkx s ILE 464 Ca -0.09 1.62 0.13 0.00 -2.23 0.00 0.00 60.65 60.08 1hkx s ILE 464 Cb -0.05 -4.09 -0.23 0.00 -1.58 0.00 0.00 42.46 36.51 1hkx s ILE 464 CO 0.01 -0.19 0.54 0.52 -1.23 0.00 0.00 174.94 174.58 1hkx n VAL 465 N 5.47 1.57 -3.58 2.92 0.31 0.91 -1.88 118.33 124.05 1hkx n VAL 465 Ca 0.14 -0.81 -0.12 0.00 -0.01 0.00 0.00 64.34 63.54 1hkx n VAL 465 Cb 0.45 -0.94 -0.06 0.00 -0.91 0.00 0.00 33.84 32.39 1hkx n VAL 465 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1hkx s HIS 466 N -2.58 -0.49 0.05 3.52 5.65 -1.21 -3.19 115.29 117.05 1hkx s HIS 466 Ca -0.06 0.95 -0.09 0.00 0.25 0.00 0.00 55.06 56.10 1hkx s HIS 466 Cb 0.08 0.41 0.00 0.00 -1.18 0.00 0.00 32.58 31.89 1hkx s HIS 466 CO 0.82 -0.39 0.19 -0.59 -0.65 0.00 0.00 174.74 174.13 1hkx s PHE 467 N -0.77 0.08 -0.07 3.88 -0.12 -0.85 -0.92 117.98 119.21 1hkx s PHE 467 Ca -0.03 -0.37 -0.03 0.00 -0.05 0.00 0.00 56.93 56.46 1hkx s PHE 467 Cb -0.01 -0.04 0.04 0.00 -0.63 0.00 0.00 43.02 42.38 1hkx s PHE 467 CO 0.02 -0.47 0.14 -1.58 -0.05 0.00 0.00 175.22 173.28 1hkx s HIS 468 N -2.96 -0.14 -0.00 3.49 2.46 -0.49 -1.81 115.29 115.84 1hkx s HIS 468 Ca -0.02 0.49 0.07 0.00 0.47 0.00 0.00 55.06 56.07 1hkx s HIS 468 Cb 0.01 -0.21 -0.02 0.00 -0.13 0.00 0.00 32.58 32.23 1hkx s HIS 468 CO -0.06 -0.21 -0.22 0.50 -2.47 0.00 0.00 174.74 172.28 1hkx s ARG 469 N 1.74 1.70 0.07 2.88 3.52 0.93 -0.90 118.95 128.90 1hkx s ARG 469 Ca -0.03 -0.82 0.07 0.00 -0.13 0.00 0.00 55.73 54.82 1hkx s ARG 469 Cb -0.12 -1.68 -0.03 0.00 -1.56 0.00 0.00 34.95 31.56 1hkx s ARG 469 CO -0.05 0.45 -0.18 -1.12 -0.81 0.00 0.00 175.30 173.59 1hkx s SER 470 N -0.65 2.17 0.00 -2.12 0.01 -0.28 -4.04 113.70 108.79 1hkx s SER 470 Ca 0.08 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1hkx s SER 470 Cb -0.08 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1hkx s SER 470 CO -0.00 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.29 1hkx n GLY 471 N 1.38 0.76 0.31 3.44 0.00 -1.26 -0.94 105.19 108.88 1hkx n GLY 471 Ca -0.19 -1.60 -0.01 0.00 0.00 0.00 0.00 46.02 44.21 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 0.64 0.99 -0.27 4.61 0.00 -0.45 -4.87 120.51 121.16 1hkx n ALA 472 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 53.44 53.11 1hkx n ALA 472 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.77 0.00 0.00 0.00 -0.02 -1.26 -4.99 135.00 125.96 1hkx n PRO 473 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1hkx n PRO 473 Cb 0.06 -0.22 0.00 0.00 -0.02 0.00 0.00 33.50 33.32 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 0.58 0.00 0.00 2.55 2.88 -1.26 -4.95 113.62 113.42 1hkx n SER 474 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1hkx n SER 474 Cb 0.11 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1hkx n SER 474 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14