#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k8p n ILE 334 N 0.00 0.00 -0.03 -1.44 5.41 -1.26 -3.96 119.36 118.08 3k8p n ILE 334 Ca 0.00 -0.16 -0.15 0.00 1.00 0.00 0.00 62.75 63.44 3k8p n ILE 334 Cb 0.00 0.93 -0.10 0.00 -0.71 0.00 0.00 39.64 39.75 3k8p n ILE 334 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 3k8p h TYR 335 N 0.00 0.29 -0.39 1.39 0.99 -2.03 -3.09 116.97 114.12 3k8p h TYR 335 Ca 0.00 -0.14 0.01 0.00 2.00 0.00 0.00 58.73 60.61 3k8p h TYR 335 Cb 0.39 -0.04 -0.02 0.00 1.00 0.00 0.00 36.73 38.05 3k8p h TYR 335 CO 0.00 0.88 0.23 1.15 -0.00 0.00 0.00 178.16 180.42 3k8p h THR 336 N -0.38 1.05 -0.57 -2.88 2.02 -1.95 -2.54 112.91 107.66 3k8p h THR 336 Ca -0.02 -0.16 0.11 0.00 0.77 0.00 0.00 66.41 67.11 3k8p h THR 336 Cb 0.91 0.54 -0.11 0.00 -1.74 0.00 0.00 68.15 67.75 3k8p h THR 336 CO 0.05 0.09 -0.12 0.74 0.37 0.00 0.00 175.52 176.64 3k8p h THR 337 N 0.47 0.44 -0.72 3.16 2.02 -1.69 -0.64 112.91 115.96 3k8p h THR 337 Ca 0.15 -0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.34 3k8p h THR 337 Cb -0.00 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 3k8p h THR 337 CO -0.07 0.00 0.48 0.25 0.37 0.00 0.00 175.52 176.55 3k8p h LEU 338 N 0.01 0.81 -0.32 2.58 6.46 -1.37 -1.56 115.31 121.91 3k8p h LEU 338 Ca 0.28 -0.02 -0.20 0.00 -0.12 0.00 0.00 57.88 57.82 3k8p h LEU 338 Cb 0.42 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 3k8p h LEU 338 CO -0.57 0.58 -0.71 0.11 -0.62 0.00 0.00 178.44 177.23 3k8p h LYS 339 N 0.96 0.60 -0.21 1.25 1.57 -1.01 -2.66 116.57 117.07 3k8p h LYS 339 Ca 0.27 -0.47 -0.12 0.00 -1.87 0.00 0.00 60.65 58.46 3k8p h LYS 339 Cb -0.08 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3k8p h LYS 339 CO -0.06 1.09 -0.39 0.35 -0.57 0.00 0.00 179.45 179.86 3k8p h PHE 340 N 0.42 0.55 -0.08 -1.35 3.57 -0.76 -2.61 116.94 116.68 3k8p h PHE 340 Ca -0.03 -0.15 -0.11 0.00 3.53 0.00 0.00 57.97 61.21 3k8p h PHE 340 Cb 1.30 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 3k8p h PHE 340 CO 0.06 0.79 -0.43 0.93 -2.23 0.00 0.00 178.31 177.43 3k8p h GLU 341 N 0.39 0.19 -4.41 1.11 4.39 -1.29 -3.42 114.58 111.53 3k8p h GLU 341 Ca 0.04 -0.09 -0.68 0.00 0.34 0.00 0.00 59.36 58.96 3k8p h GLU 341 Cb 0.86 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 3k8p h GLU 341 CO 0.07 0.59 2.76 0.45 -1.16 0.00 0.00 179.01 181.73 3k8p n SER 342 N -4.01 3.72 0.00 1.42 2.88 -0.99 -4.70 113.62 111.94 3k8p n SER 342 Ca -0.02 -2.81 0.00 0.00 -1.33 0.00 0.00 58.87 54.71 3k8p n SER 342 Cb 0.49 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 3k8p n SER 342 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3k8p n GLN 345 N 6.69 0.00 0.25 -1.46 6.02 -1.26 -4.79 117.38 122.82 3k8p n GLN 345 Ca 0.51 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.58 3k8p n GLN 345 Cb 0.41 0.00 0.62 0.00 1.02 0.00 0.00 30.24 32.28 3k8p n GLN 345 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 3k8p h GLN 346 N 0.00 0.00 -0.03 -1.09 5.75 -1.95 0.20 115.11 117.98 3k8p h GLN 346 Ca 0.00 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.35 3k8p h GLN 346 Cb 0.00 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.56 3k8p h GLN 346 CO 0.00 0.11 -0.57 0.00 -2.65 0.00 0.00 178.83 175.72 3k8p h ARG 347 N 0.00 0.44 -0.63 1.69 2.47 -1.96 -1.65 114.38 114.75 3k8p h ARG 347 Ca -0.00 -0.43 -0.05 0.00 -1.26 0.00 0.00 59.98 58.24 3k8p h ARG 347 Cb 0.20 0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.61 3k8p h ARG 347 CO 0.01 1.08 0.20 0.28 0.56 0.00 0.00 179.97 182.11 3k8p h VAL 348 N -0.03 1.23 -0.76 2.04 2.07 -1.72 -0.75 116.25 118.33 3k8p h VAL 348 Ca -0.06 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3k8p h VAL 348 Cb 1.26 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 3k8p h VAL 348 CO 0.11 0.31 0.49 0.40 0.02 0.00 0.00 177.57 178.90 3k8p h ILE 349 N 0.92 1.20 -0.28 4.57 2.04 -0.65 -1.09 117.51 124.21 3k8p h ILE 349 Ca 0.21 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 3k8p h ILE 349 Cb 0.25 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 3k8p h ILE 349 CO -0.01 0.20 -0.03 -0.61 0.00 0.00 0.00 178.15 177.69 3k8p h GLN 350 N 1.03 0.43 -0.15 2.37 4.15 -0.24 0.73 115.11 123.42 3k8p h GLN 350 Ca 0.28 -0.09 -0.08 0.00 0.77 0.00 0.00 58.65 59.53 3k8p h GLN 350 Cb -0.10 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.53 3k8p h GLN 350 CO -0.06 0.48 -0.22 0.82 -1.93 0.00 0.00 178.83 177.93 3k8p h ILE 351 N 0.41 1.35 0.00 2.39 2.04 -0.66 -2.99 117.51 120.06 3k8p h ILE 351 Ca 0.09 -1.43 -0.00 0.00 1.00 0.00 0.00 64.86 64.51 3k8p h ILE 351 Cb 0.32 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 3k8p h ILE 351 CO 0.01 0.42 -0.02 0.03 0.00 0.00 0.00 178.15 178.60 3k8p h ARG 352 N 0.04 0.00 -0.00 2.37 3.08 -0.79 -2.72 114.38 116.36 3k8p h ARG 352 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3k8p h ARG 352 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 3k8p h ARG 352 CO 0.05 0.02 -0.15 0.43 -1.07 0.00 0.00 179.97 179.25 3k8p n SER 353 N -3.30 0.19 -4.66 7.04 7.64 0.21 -4.80 113.62 115.95 3k8p n SER 353 Ca -0.02 0.14 -0.42 0.00 1.01 0.00 0.00 58.87 59.58 3k8p n SER 353 Cb 0.14 -0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.08 3k8p n SER 353 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3k8p s ILE 354 N -2.92 3.57 0.21 0.44 1.01 -1.03 -4.91 121.20 117.57 3k8p s ILE 354 Ca 0.15 0.73 -0.32 0.00 0.00 0.00 0.00 60.65 61.21 3k8p s ILE 354 Cb 0.19 -3.47 -0.12 0.00 0.01 0.00 0.00 42.46 39.07 3k8p s ILE 354 CO 0.57 -0.06 1.68 -2.65 0.00 0.00 0.00 174.94 174.48 3k8p n PRO 355 N 6.95 2.66 -0.35 2.79 -0.02 -1.26 -4.88 135.00 140.90 3k8p n PRO 355 Ca 0.17 0.96 0.24 0.00 -2.02 0.00 0.00 63.50 62.85 3k8p n PRO 355 Cb 0.43 -2.78 0.50 0.00 -0.02 0.00 0.00 33.50 31.62 3k8p n PRO 355 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3k8p h GLU 356 N 6.32 0.36 -0.24 -0.52 4.57 -1.94 0.99 114.58 124.12 3k8p h GLU 356 Ca -0.44 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 3k8p h GLU 356 Cb 1.21 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 3k8p h GLU 356 CO 0.92 0.24 0.00 -0.85 -1.18 0.00 0.00 179.01 178.14 3k8p n GLU 357 N -4.78 0.87 0.04 1.92 0.00 -1.26 -2.30 120.64 115.12 3k8p n GLU 357 Ca 0.29 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.56 3k8p n GLU 357 Cb 0.96 -1.12 -0.08 0.00 0.00 0.00 0.00 31.44 31.20 3k8p n GLU 357 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3k8p n GLU 358 N -0.34 0.59 -0.08 3.44 1.02 0.34 -3.67 120.64 121.94 3k8p n GLU 358 Ca 0.00 -0.05 0.06 0.00 -0.02 0.00 0.00 57.16 57.16 3k8p n GLU 358 Cb 0.06 -1.65 0.25 0.00 -0.02 0.00 0.00 31.44 30.08 3k8p n GLU 358 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3k8p n TYR 359 N -2.38 0.21 0.00 -0.32 4.01 -0.97 -1.65 117.16 116.05 3k8p n TYR 359 Ca -0.02 -0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 3k8p n TYR 359 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 3k8p n TYR 359 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3k8p n HIS 360 N -0.00 0.00 -3.84 -0.72 8.25 -1.26 -4.72 115.22 112.92 3k8p n HIS 360 Ca 0.11 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.25 3k8p n HIS 360 Cb 0.20 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.26 3k8p n HIS 360 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3k8p s GLU 361 N -0.85 3.50 -0.09 -0.41 2.02 -1.24 -5.01 118.70 116.62 3k8p s GLU 361 Ca 0.00 -0.31 0.02 0.00 0.02 0.00 0.00 54.97 54.70 3k8p s GLU 361 Cb 0.00 -3.00 -0.02 0.00 0.10 0.00 0.00 34.13 31.21 3k8p s GLU 361 CO 0.00 0.59 -0.14 -0.51 0.02 0.00 0.00 175.26 175.21 3k8p s LEU 362 N -2.41 2.69 0.11 1.80 1.43 -1.26 -0.98 118.68 120.06 3k8p s LEU 362 Ca 0.35 -0.28 0.07 0.00 -1.03 0.00 0.00 54.13 53.24 3k8p s LEU 362 Cb -0.13 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 3k8p s LEU 362 CO 0.25 0.25 -0.07 0.54 0.23 0.00 0.00 176.35 177.55 3k8p s VAL 363 N -0.17 3.54 -0.04 -1.59 0.11 -0.84 -4.91 120.40 116.51 3k8p s VAL 363 Ca -0.01 -1.25 -0.21 0.00 -2.93 0.00 0.00 61.98 57.58 3k8p s VAL 363 Cb -0.13 -2.68 -0.05 0.00 -1.53 0.00 0.00 36.38 31.99 3k8p s VAL 363 CO 0.03 0.07 0.62 -0.44 -3.33 0.00 0.00 175.10 172.05 3k8p s SER 364 N -2.35 6.94 -0.07 3.54 0.01 -1.26 -2.47 113.70 118.03 3k8p s SER 364 Ca 0.23 1.12 -0.08 0.00 1.31 0.00 0.00 55.95 58.54 3k8p s SER 364 Cb -0.11 -2.37 0.02 0.00 0.21 0.00 0.00 66.02 63.77 3k8p s SER 364 CO 0.15 0.01 0.21 0.54 0.41 0.00 0.00 173.24 174.56 3k8p s VAL 365 N 0.29 0.01 0.22 3.43 0.11 -0.70 -5.01 120.40 118.74 3k8p s VAL 365 Ca 0.33 -0.05 0.10 0.00 -2.93 0.00 0.00 61.98 59.42 3k8p s VAL 365 Cb -0.18 -0.32 -0.05 0.00 -1.53 0.00 0.00 36.38 34.31 3k8p s VAL 365 CO 0.17 -0.03 -0.18 -1.58 -3.33 0.00 0.00 175.10 170.14 3k8p s GLN 366 N -0.01 1.46 -0.05 1.54 2.00 -1.26 -3.24 119.66 120.11 3k8p s GLN 366 Ca -0.01 -1.61 0.02 0.00 -2.00 0.00 0.00 55.36 51.76 3k8p s GLN 366 Cb -0.02 -1.48 0.01 0.00 0.80 0.00 0.00 33.01 32.32 3k8p s GLN 366 CO 0.00 0.28 -0.11 -2.14 -0.50 0.00 0.00 175.29 172.82 3k8p s PRO 424 N -3.31 1.35 0.35 1.67 0.02 -1.26 -5.16 135.00 128.66 3k8p s PRO 424 Ca 0.24 -0.37 -0.13 0.00 0.02 0.00 0.00 61.00 60.76 3k8p s PRO 424 Cb -0.04 -1.19 -0.08 0.00 0.02 0.00 0.00 34.50 33.22 3k8p s PRO 424 CO 0.10 0.08 0.74 -1.50 -0.33 0.00 0.00 177.00 176.09 3k8p s ILE 425 N 0.44 4.74 -0.24 2.83 1.10 -1.20 -5.08 121.20 123.79 3k8p s ILE 425 Ca -0.09 0.78 -0.04 0.00 -0.51 0.00 0.00 60.65 60.79 3k8p s ILE 425 Cb -0.13 -3.66 -0.00 0.00 0.15 0.00 0.00 42.46 38.82 3k8p s ILE 425 CO 0.02 -0.32 -0.02 -1.10 -2.11 0.00 0.00 174.94 171.41 3k8p s GLN 426 N -3.34 3.30 0.37 3.50 -0.21 -1.26 -1.73 119.66 120.28 3k8p s GLN 426 Ca 0.53 -0.69 0.08 0.00 0.02 0.00 0.00 55.36 55.30 3k8p s GLN 426 Cb -0.10 -3.09 -0.04 0.00 1.00 0.00 0.00 33.01 30.78 3k8p s GLN 426 CO 0.23 -0.26 0.19 0.14 -2.12 0.00 0.00 175.29 173.48 3k8p s VAL 427 N 1.48 2.85 0.54 1.09 -7.23 -1.03 -4.93 120.40 113.16 3k8p s VAL 427 Ca 0.05 -1.63 -0.19 0.00 -1.81 0.00 0.00 61.98 58.40 3k8p s VAL 427 Cb -0.15 -3.00 -0.06 0.00 0.56 0.00 0.00 36.38 33.74 3k8p s VAL 427 CO -0.02 -0.12 1.08 -0.44 -0.31 0.00 0.00 175.10 175.29 3k8p s SER 428 N -3.90 5.92 0.49 4.85 0.01 -1.26 -1.98 113.70 117.83 3k8p s SER 428 Ca 0.40 1.98 0.17 0.00 1.31 0.00 0.00 55.95 59.81 3k8p s SER 428 Cb -0.01 -2.56 1.20 0.00 0.21 0.00 0.00 66.02 64.85 3k8p s SER 428 CO 0.23 -1.07 2.08 0.58 0.41 0.00 0.00 173.24 175.47 3k8p h VAL 429 N 1.06 1.00 0.00 3.43 2.07 -0.83 -2.59 116.25 120.39 3k8p h VAL 429 Ca -0.49 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.69 3k8p h VAL 429 Cb 1.23 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 3k8p h VAL 429 CO 0.58 0.10 0.00 2.19 0.02 0.00 0.00 177.57 180.45 3k8p h PHE 430 N 0.00 0.00 -0.98 1.57 -5.15 -1.60 -3.17 116.94 107.61 3k8p h PHE 430 Ca -0.00 0.00 0.03 0.00 -0.20 0.00 0.00 57.97 57.80 3k8p h PHE 430 Cb 0.18 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 36.29 3k8p h PHE 430 CO 0.00 0.00 0.64 0.28 -2.00 0.00 0.00 178.31 177.23 3k8p h VAL 431 N 0.00 1.18 -0.10 0.88 2.07 -1.77 0.13 116.25 118.64 3k8p h VAL 431 Ca 0.00 -0.43 -0.20 0.00 0.82 0.00 0.00 66.70 66.89 3k8p h VAL 431 Cb 0.19 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 29.78 3k8p h VAL 431 CO 0.00 0.23 -0.74 1.56 0.02 0.00 0.00 177.57 178.63 3k8p h GLN 432 N 1.25 0.53 -0.49 1.57 4.20 -1.79 -0.80 115.11 119.58 3k8p h GLN 432 Ca 0.39 -0.43 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 3k8p h GLN 432 Cb -0.01 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3k8p h GLN 432 CO -0.12 1.06 0.11 0.77 -0.67 0.00 0.00 178.83 179.98 3k8p h SER 433 N 0.36 0.76 -0.50 1.46 0.02 -1.60 -3.12 113.55 110.92 3k8p h SER 433 Ca -0.04 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.64 3k8p h SER 433 Cb 1.34 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 3k8p h SER 433 CO 0.14 0.80 0.19 0.00 -1.14 0.00 0.00 176.83 176.82 3k8p h ALA 434 N 0.98 0.65 -0.96 3.77 0.00 -0.56 -2.27 119.26 120.87 3k8p h ALA 434 Ca 0.15 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 55.10 3k8p h ALA 434 Cb 0.35 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.85 3k8p h ALA 434 CO 0.00 0.27 0.61 0.00 0.00 0.00 0.00 179.25 180.14 3k8p h ALA 435 N 1.04 1.89 -0.74 0.00 0.00 -1.13 -0.71 119.26 119.62 3k8p h ALA 435 Ca 0.17 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3k8p h ALA 435 Cb 0.21 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3k8p h ALA 435 CO -0.01 -0.22 0.25 0.87 0.00 0.00 0.00 179.25 180.14 3k8p h LYS 436 N 0.63 1.12 -0.61 0.00 1.57 -1.35 -2.55 116.57 115.39 3k8p h LYS 436 Ca 0.53 -0.22 0.12 0.00 -1.87 0.00 0.00 60.65 59.20 3k8p h LYS 436 Cb 0.99 -0.17 -0.09 0.00 0.08 0.00 0.00 32.23 33.03 3k8p h LYS 436 CO -0.28 0.94 0.10 0.28 -0.57 0.00 0.00 179.45 179.92 3k8p h VAL 437 N 1.08 0.61 0.00 0.50 2.07 -1.08 0.50 116.25 119.94 3k8p h VAL 437 Ca 0.24 -0.08 -0.12 0.00 0.82 0.00 0.00 66.70 67.57 3k8p h VAL 437 Cb 0.27 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3k8p h VAL 437 CO -0.01 0.04 -0.56 -0.26 0.02 0.00 0.00 177.57 176.80 3k8p h PHE 438 N 0.23 0.00 0.19 1.57 -1.00 -1.51 -1.31 116.94 115.10 3k8p h PHE 438 Ca 0.32 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.09 3k8p h PHE 438 Cb 0.49 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.05 3k8p h PHE 438 CO -0.27 0.56 -0.09 1.15 -1.61 0.00 0.00 178.31 178.05 3k8p h THR 439 N 0.00 0.91 -0.14 -1.55 2.02 -0.97 -3.10 112.91 110.09 3k8p h THR 439 Ca -0.01 -0.84 0.04 0.00 0.77 0.00 0.00 66.41 66.37 3k8p h THR 439 Cb 1.30 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 3k8p h THR 439 CO 0.07 0.18 0.25 -0.08 0.37 0.00 0.00 175.52 176.31 3k8p h GLU 440 N -0.69 0.00 -0.23 6.66 4.57 0.07 0.23 114.58 125.19 3k8p h GLU 440 Ca -0.03 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.09 3k8p h GLU 440 Cb 0.49 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 3k8p h GLU 440 CO 0.04 0.00 -0.09 0.35 -1.18 0.00 0.00 179.01 178.13 3k8p h PHE 441 N 0.00 0.53 -0.20 0.92 3.04 -1.16 0.62 116.94 120.69 3k8p h PHE 441 Ca 0.06 -0.13 -0.01 0.00 3.98 0.00 0.00 57.97 61.87 3k8p h PHE 441 Cb 0.56 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 3k8p h PHE 441 CO 0.00 0.73 0.07 0.93 -2.02 0.00 0.00 178.31 178.02 3k8p h GLU 442 N 0.18 0.31 -0.93 1.11 4.39 -1.00 -0.76 114.58 117.88 3k8p h GLU 442 Ca 0.05 -0.06 0.18 0.00 0.34 0.00 0.00 59.36 59.87 3k8p h GLU 442 Cb 0.58 -0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 29.08 3k8p h GLU 442 CO 0.03 0.40 0.51 1.96 -1.16 0.00 0.00 179.01 180.75 3k8p h GLN 443 N 0.16 0.63 0.00 2.33 4.20 -1.13 0.23 115.11 121.53 3k8p h GLN 443 Ca 0.07 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 3k8p h GLN 443 Cb 0.21 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3k8p h GLN 443 CO -0.00 0.42 -0.44 0.78 -0.67 0.00 0.00 178.83 178.91 3k8p h GLY 444 N 0.65 0.00 1.35 3.46 0.00 -0.59 -2.88 103.07 105.06 3k8p h GLY 444 Ca 0.53 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.72 3k8p h GLY 444 CO -0.40 0.00 -0.41 0.00 0.00 0.00 0.00 176.54 175.73 3k8p h ASP 446 N 0.58 0.53 0.00 0.00 3.32 -0.65 0.89 116.42 121.09 3k8p h ASP 446 Ca 0.05 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3k8p h ASP 446 Cb 0.95 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.40 3k8p h ASP 446 CO 0.09 0.33 0.00 0.41 -1.72 0.00 0.00 179.24 178.35 3k8p n THR 447 N -4.48 0.17 -1.30 0.35 -1.04 -1.20 -1.03 114.28 105.76 3k8p n THR 447 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3k8p n THR 447 Cb 0.28 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 3k8p n THR 447 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k8p n ILE 448 N 0.23 0.00 0.00 12.58 0.13 -0.67 -5.10 119.36 126.53 3k8p n ILE 448 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 3k8p n ILE 448 Cb 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.04 3k8p n ILE 448 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3k8p n GLY 449 N 0.00 2.04 0.00 4.50 0.00 0.30 -4.05 105.19 107.98 3k8p n GLY 449 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3k8p n GLY 449 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k8p n ARG 450 N 0.00 0.00 0.00 1.61 1.74 -1.25 -4.32 116.66 114.44 3k8p n ARG 450 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3k8p n ARG 450 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3k8p n ARG 450 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3k8p n SER 451 N 1.22 0.00 -0.06 0.55 3.41 -1.26 -3.44 113.62 114.04 3k8p n SER 451 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 3k8p n SER 451 Cb 0.00 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 64.68 3k8p n SER 451 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3k8p n LYS 452 N 0.00 0.66 0.00 4.33 4.76 -1.26 -3.92 118.16 122.73 3k8p n LYS 452 Ca 0.00 -0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 3k8p n LYS 452 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 3k8p n LYS 452 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3k8p n VAL 453 N -1.07 0.00 -0.29 -0.18 0.31 -1.22 -4.86 118.33 111.01 3k8p n VAL 453 Ca 0.16 -0.11 0.08 0.00 -0.01 0.00 0.00 64.34 64.46 3k8p n VAL 453 Cb 0.24 0.57 0.23 0.00 -0.91 0.00 0.00 33.84 33.97 3k8p n VAL 453 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3k8p h GLU 454 N 0.00 0.50 0.00 5.55 4.57 -1.81 0.32 114.58 123.71 3k8p h GLU 454 Ca 0.00 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 3k8p h GLU 454 Cb 0.00 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 3k8p h GLU 454 CO 0.00 0.33 -0.20 0.66 -1.18 0.00 0.00 179.01 178.62 3k8p h SER 455 N 0.51 0.00 0.00 1.04 4.64 -1.89 -3.08 113.55 114.77 3k8p h SER 455 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3k8p h SER 455 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3k8p h SER 455 CO -0.42 0.20 -0.52 2.30 -0.87 0.00 0.00 176.83 177.53 3k8p n ILE 456 N -3.63 0.00 -0.28 0.95 -5.35 -0.90 -4.81 119.36 105.34 3k8p n ILE 456 Ca -0.01 -0.31 -0.01 0.00 -0.27 0.00 0.00 62.75 62.15 3k8p n ILE 456 Cb 0.33 0.82 0.06 0.00 -1.74 0.00 0.00 39.64 39.11 3k8p n ILE 456 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 3k8p h TYR 457 N 0.00 -0.75 -0.42 4.28 3.20 -0.28 -1.85 116.97 121.15 3k8p h TYR 457 Ca 0.00 0.08 -0.11 0.00 3.14 0.00 0.00 58.73 61.84 3k8p h TYR 457 Cb 0.15 0.45 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 3k8p h TYR 457 CO 0.00 -0.38 -0.16 1.25 -1.64 0.00 0.00 178.16 177.23 3k8p h LEU 458 N -0.05 0.86 0.21 2.82 7.12 -1.86 -1.29 115.31 123.13 3k8p h LEU 458 Ca 0.33 -0.39 -0.01 0.00 0.13 0.00 0.00 57.88 57.95 3k8p h LEU 458 Cb 0.59 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.48 3k8p h LEU 458 CO -0.83 1.06 -0.10 0.22 -0.13 0.00 0.00 178.44 178.65 3k8p h TYR 459 N 0.67 -0.26 -0.29 1.25 3.20 -1.71 -0.59 116.97 119.23 3k8p h TYR 459 Ca 0.10 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 3k8p h TYR 459 Cb 0.71 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 3k8p h TYR 459 CO 0.05 -0.06 -0.02 0.87 -1.64 0.00 0.00 178.16 177.37 3k8p h LYS 460 N -0.42 0.45 -0.08 1.82 1.79 -1.37 0.38 116.57 119.14 3k8p h LYS 460 Ca -0.03 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 3k8p h LYS 460 Cb 0.32 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.90 3k8p h LYS 460 CO 0.05 0.49 0.02 0.35 -1.08 0.00 0.00 179.45 179.27 3k8p h PHE 461 N 0.43 0.13 -0.90 -1.35 3.57 -1.02 -2.03 116.94 115.77 3k8p h PHE 461 Ca 0.09 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3k8p h PHE 461 Cb 0.31 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 3k8p h PHE 461 CO 0.01 0.31 0.53 -0.91 -2.23 0.00 0.00 178.31 176.02 3k8p h ASN 462 N -0.09 1.08 -0.49 0.41 2.35 -0.54 -2.55 115.58 115.76 3k8p h ASN 462 Ca 0.02 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3k8p h ASN 462 Cb 0.24 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3k8p h ASN 462 CO 0.00 0.84 0.28 0.25 -1.65 0.00 0.00 177.43 177.15 3k8p h LEU 463 N 1.24 0.59 -0.76 1.61 5.85 -0.77 -1.06 115.31 122.00 3k8p h LEU 463 Ca 0.32 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.89 3k8p h LEU 463 Cb -0.04 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3k8p h LEU 463 CO -0.06 0.49 0.05 0.25 -0.34 0.00 0.00 178.44 178.83 3k8p h LEU 464 N 0.65 0.95 -0.82 2.25 5.85 -1.11 0.31 115.31 123.39 3k8p h LEU 464 Ca 0.17 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3k8p h LEU 464 Cb 0.01 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3k8p h LEU 464 CO -0.03 0.98 0.34 1.56 -0.34 0.00 0.00 178.44 180.95 3k8p h GLN 465 N 0.92 1.21 -0.31 1.25 4.20 -1.17 -0.57 115.11 120.64 3k8p h GLN 465 Ca 0.18 -0.21 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 3k8p h GLN 465 Cb 0.47 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3k8p h GLN 465 CO 0.02 0.97 -0.15 1.15 -0.67 0.00 0.00 178.83 180.15 3k8p h THR 466 N 1.18 1.29 -0.07 -0.54 2.02 -0.39 0.30 112.91 116.70 3k8p h THR 466 Ca 0.27 -1.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 3k8p h THR 466 Cb 0.20 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 3k8p h THR 466 CO -0.03 0.40 0.04 0.00 0.37 0.00 0.00 175.52 176.31 3k8p h ALA 467 N 0.76 0.09 -0.34 6.16 0.00 -0.25 0.12 119.26 125.80 3k8p h ALA 467 Ca 0.07 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3k8p h ALA 467 Cb 0.67 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 3k8p h ALA 467 CO 0.04 -0.39 -0.03 0.35 0.00 0.00 0.00 179.25 179.23 3k8p h PHE 468 N 0.06 -0.08 -0.16 0.00 3.04 -0.98 -2.70 116.94 116.12 3k8p h PHE 468 Ca 0.03 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.00 3k8p h PHE 468 Cb 0.04 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 3k8p h PHE 468 CO -0.06 -0.09 0.09 0.35 -2.02 0.00 0.00 178.31 176.58 3k8p h PHE 469 N 0.06 0.22 0.00 0.41 3.04 -0.63 0.91 116.94 120.95 3k8p h PHE 469 Ca 0.17 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.11 3k8p h PHE 469 Cb 0.24 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.68 3k8p h PHE 469 CO -0.27 0.22 0.00 0.00 -2.02 0.00 0.00 178.31 176.24 3k8p n ALA 470 N -2.18 0.90 0.00 2.41 0.00 0.00 -1.36 120.51 120.29 3k8p n ALA 470 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3k8p n ALA 470 Cb 0.07 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3k8p n ALA 470 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3k8p n VAL 472 N 0.28 0.00 0.04 0.00 0.31 0.31 -3.72 118.33 115.56 3k8p n VAL 472 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 3k8p n VAL 472 Cb 0.00 0.00 0.50 0.00 -0.91 0.00 0.00 33.84 33.43 3k8p n VAL 472 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3k8p h SER 473 N 0.00 0.33 0.90 4.52 0.02 -1.44 -1.28 113.55 116.60 3k8p h SER 473 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3k8p h SER 473 Cb 0.00 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3k8p h SER 473 CO 0.00 0.23 -0.36 -0.62 -1.14 0.00 0.00 176.83 174.94 3k8p n GLU 474 N -4.49 0.15 -0.02 3.45 -0.58 -1.24 -4.05 120.64 113.86 3k8p n GLU 474 Ca 0.03 0.07 0.03 0.00 -0.42 0.00 0.00 57.16 56.87 3k8p n GLU 474 Cb 0.14 -1.62 -0.13 0.00 -0.57 0.00 0.00 31.44 29.26 3k8p n GLU 474 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3k8p n LYS 475 N -1.86 0.65 -3.55 3.49 5.02 -0.55 -4.86 118.16 116.51 3k8p n LYS 475 Ca 0.05 -0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 3k8p n LYS 475 Cb 0.39 -1.61 -0.10 0.00 -0.02 0.00 0.00 35.03 33.69 3k8p n LYS 475 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3k8p s VAL 476 N -3.09 4.62 0.18 -0.18 1.01 -0.82 -4.93 120.40 117.20 3k8p s VAL 476 Ca -0.07 -1.07 -0.25 0.00 0.00 0.00 0.00 61.98 60.59 3k8p s VAL 476 Cb 0.10 -3.69 0.06 0.00 0.00 0.00 0.00 36.38 32.85 3k8p s VAL 476 CO 0.86 -0.39 1.55 0.78 0.00 0.00 0.00 175.10 177.89 3k8p h ASN 477 N 8.50 -1.77 -3.14 3.32 2.35 -1.89 -3.38 115.58 119.57 3k8p h ASN 477 Ca -0.25 0.30 -0.64 0.00 -0.55 0.00 0.00 56.30 55.17 3k8p h ASN 477 Cb 1.10 0.82 -0.14 0.00 0.05 0.00 0.00 38.32 40.15 3k8p h ASN 477 CO 0.74 -0.28 0.41 -0.62 -1.65 0.00 0.00 177.43 176.03 3k8p s ASP 478 N -5.36 6.28 0.58 5.81 -1.08 -1.26 -4.92 116.67 116.73 3k8p s ASP 478 Ca -0.13 -0.61 0.31 0.00 -0.52 0.00 0.00 52.55 51.60 3k8p s ASP 478 Cb 0.15 -2.39 1.34 0.00 -1.46 0.00 0.00 42.92 40.56 3k8p s ASP 478 CO 0.66 -1.15 1.67 4.11 0.52 0.00 0.00 175.17 180.97 3k8p h TRP 479 N 9.25 0.00 0.18 -5.34 5.08 -1.98 -1.75 115.95 121.39 3k8p h TRP 479 Ca -0.27 0.00 -0.31 0.00 1.08 0.00 0.00 58.89 59.39 3k8p h TRP 479 Cb 1.08 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 27.26 3k8p h TRP 479 CO 0.87 0.00 -1.44 1.79 -1.28 0.00 0.00 178.44 178.38 3k8p h THR 480 N 0.00 1.30 -0.52 0.12 1.35 -1.94 -2.43 112.91 110.79 3k8p h THR 480 Ca 0.43 -2.82 0.03 0.00 -0.55 0.00 0.00 66.41 63.49 3k8p h THR 480 Cb 2.15 2.93 -0.04 0.00 -1.73 0.00 0.00 68.15 71.47 3k8p h THR 480 CO -0.00 0.85 0.31 1.56 -0.25 0.00 0.00 175.52 177.98 3k8p h GLN 481 N 0.11 0.59 -0.53 4.72 1.08 -1.70 -2.29 115.11 117.09 3k8p h GLN 481 Ca -0.22 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 56.93 3k8p h GLN 481 Cb 2.07 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 29.34 3k8p h GLN 481 CO 0.22 0.39 0.29 1.25 -0.95 0.00 0.00 178.83 180.03 3k8p h LEU 482 N 0.61 0.66 -0.57 1.46 5.85 -1.50 0.95 115.31 122.76 3k8p h LEU 482 Ca 0.21 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.92 3k8p h LEU 482 Cb 0.04 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.84 3k8p h LEU 482 CO -0.10 0.56 0.21 0.22 -0.34 0.00 0.00 178.44 178.99 3k8p h TYR 483 N 0.70 0.37 -0.54 1.25 3.20 -1.29 0.27 116.97 120.94 3k8p h TYR 483 Ca 0.18 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 3k8p h TYR 483 Cb 0.05 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3k8p h TYR 483 CO -0.02 0.11 -0.03 0.87 -1.64 0.00 0.00 178.16 177.45 3k8p h LYS 484 N 0.40 0.97 -0.12 1.82 1.57 -0.73 -1.23 116.57 119.25 3k8p h LYS 484 Ca 0.28 -0.33 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3k8p h LYS 484 Cb 0.32 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3k8p h LYS 484 CO -0.28 1.00 0.06 -0.44 -0.57 0.00 0.00 179.45 179.22 3k8p h ASP 485 N 0.85 0.09 0.64 0.86 3.32 0.17 0.62 116.42 122.97 3k8p h ASP 485 Ca 0.15 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 3k8p h ASP 485 Cb 0.58 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3k8p h ASP 485 CO 0.03 0.07 -0.47 0.58 -1.72 0.00 0.00 179.24 177.74 3k8p h VAL 486 N 0.13 1.18 -0.39 -1.35 2.07 -0.51 -2.60 116.25 114.78 3k8p h VAL 486 Ca 0.05 -1.69 -0.14 0.00 0.82 0.00 0.00 66.70 65.73 3k8p h VAL 486 Cb 0.00 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3k8p h VAL 486 CO -0.03 0.46 -0.31 -0.09 0.02 0.00 0.00 177.57 177.62 3k8p h ARG 487 N 0.00 0.91 -0.50 1.57 2.43 -0.77 -2.19 114.38 115.82 3k8p h ARG 487 Ca -0.00 -0.45 0.03 0.00 -0.81 0.00 0.00 59.98 58.74 3k8p h ARG 487 Cb 0.92 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 3k8p h ARG 487 CO 0.06 1.10 0.33 -0.92 -1.51 0.00 0.00 179.97 179.03 3k8p h TYR 488 N 0.72 0.56 -0.03 2.20 3.20 -0.77 -1.67 116.97 121.17 3k8p h TYR 488 Ca 0.07 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 3k8p h TYR 488 Cb 0.90 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 3k8p h TYR 488 CO 0.06 0.33 0.02 -0.07 -1.64 0.00 0.00 178.16 176.86 3k8p h LEU 489 N 0.59 0.04 -1.68 2.82 3.38 -1.00 -2.81 115.31 116.65 3k8p h LEU 489 Ca 0.20 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3k8p h LEU 489 Cb 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3k8p h LEU 489 CO -0.05 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.63 3k8p n TYR 490 N -5.01 0.22 0.02 1.13 0.18 -1.03 -1.92 117.16 110.75 3k8p n TYR 490 Ca -0.07 -0.11 -0.19 0.00 1.88 0.00 0.00 57.90 59.42 3k8p n TYR 490 Cb 0.08 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 38.91 3k8p n TYR 490 CO 0.00 0.00 0.00 1.15 -2.08 0.00 0.00 176.86 175.93 3k8p h THR 491 N 3.58 1.53 0.00 -3.48 2.02 -1.32 -2.99 112.91 112.24 3k8p h THR 491 Ca 0.00 -2.38 -0.09 0.00 0.77 0.00 0.00 66.41 64.70 3k8p h THR 491 Cb 0.78 3.07 -0.01 0.00 -1.74 0.00 0.00 68.15 70.24 3k8p h THR 491 CO 0.00 0.67 -0.43 -0.08 0.37 0.00 0.00 175.52 176.05 3k8p h GLU 492 N -0.38 0.00 -2.38 6.66 4.81 -1.48 -3.38 114.58 118.42 3k8p h GLU 492 Ca -0.11 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.58 3k8p h GLU 492 Cb 1.47 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 30.48 3k8p h GLU 492 CO 0.12 0.43 -0.85 1.21 -0.73 0.00 0.00 179.01 179.20 3k8p s ASN 493 N -6.65 2.15 0.00 1.04 3.84 -0.81 -4.98 114.94 109.52 3k8p s ASN 493 Ca -0.01 -2.32 0.00 0.00 0.21 0.00 0.00 52.86 50.74 3k8p s ASN 493 Cb 0.12 -0.20 0.00 0.00 -0.55 0.00 0.00 41.25 40.63 3k8p s ASN 493 CO 0.71 -0.26 0.61 -0.81 -2.79 0.00 0.00 177.10 174.57 3k8p n PRO 494 N 3.72 0.63 0.00 0.43 -0.04 -1.13 -2.58 135.00 136.03 3k8p n PRO 494 Ca 0.17 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.77 3k8p n PRO 494 Cb 0.42 -1.02 0.66 0.00 -0.04 0.00 0.00 33.50 33.52 3k8p n PRO 494 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3k8p n LYS 495 N -0.46 0.16 -2.56 0.54 5.02 -1.26 -4.50 118.16 115.10 3k8p n LYS 495 Ca 0.00 0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.87 3k8p n LYS 495 Cb 0.01 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 3k8p n LYS 495 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3k8p n LEU 496 N -1.42 6.38 0.01 -0.35 4.77 -1.07 -4.75 117.00 120.58 3k8p n LEU 496 Ca 0.10 -4.72 -0.10 0.00 -0.03 0.00 0.00 56.01 51.26 3k8p n LEU 496 Cb 0.30 -1.47 0.04 0.00 -2.33 0.00 0.00 43.42 39.96 3k8p n LEU 496 CO 0.25 1.33 0.44 -0.07 -1.33 0.00 0.00 177.39 178.01 3k8p h LEU 497 N 7.74 0.60 -0.25 2.23 3.38 -1.90 -2.98 115.31 124.12 3k8p h LEU 497 Ca 0.35 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3k8p h LEU 497 Cb 0.67 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3k8p h LEU 497 CO 1.51 1.06 0.16 -0.61 0.09 0.00 0.00 178.44 180.65 3k8p h GLN 498 N 0.40 0.32 -1.06 1.13 5.75 -1.94 -0.94 115.11 118.77 3k8p h GLN 498 Ca -0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3k8p h GLN 498 Cb 1.15 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.63 3k8p h GLN 498 CO 0.11 0.21 0.00 1.28 -2.65 0.00 0.00 178.83 177.78 3k8p n LEU 499 N -4.93 0.00 0.00 -2.39 4.77 -1.13 -0.64 117.00 112.69 3k8p n LEU 499 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3k8p n LEU 499 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3k8p n LEU 499 CO 0.33 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.77 3k8p n GLU 501 N 0.72 0.00 0.02 3.23 1.02 -0.36 -0.68 120.64 124.59 3k8p n GLU 501 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 3k8p n GLU 501 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 3k8p n GLU 501 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3k8p h LEU 502 N 0.00 0.00 -0.31 -4.62 3.38 -1.14 -0.42 115.31 112.20 3k8p h LEU 502 Ca 0.00 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k8p h LEU 502 Cb 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3k8p h LEU 502 CO 0.00 0.01 0.18 -1.13 0.09 0.00 0.00 178.44 177.59 3k8p h ASN 503 N 0.04 0.39 -0.26 -0.43 -1.24 -1.13 0.14 115.58 113.08 3k8p h ASN 503 Ca 0.03 -0.07 -0.06 0.00 0.71 0.00 0.00 56.30 56.90 3k8p h ASN 503 Cb 0.02 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 3k8p h ASN 503 CO -0.03 0.35 -0.09 0.77 -1.29 0.00 0.00 177.43 177.14 3k8p h SER 504 N 0.39 0.52 -0.56 1.15 4.64 -1.77 0.13 113.55 118.04 3k8p h SER 504 Ca 0.11 -0.38 0.07 0.00 -0.47 0.00 0.00 61.79 61.12 3k8p h SER 504 Cb 0.04 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 3k8p h SER 504 CO -0.02 0.78 0.38 0.03 -0.87 0.00 0.00 176.83 177.13 3k8p h ARG 505 N 0.25 0.45 -0.37 4.77 3.08 -0.89 0.16 114.38 121.83 3k8p h ARG 505 Ca 0.06 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.93 3k8p h ARG 505 Cb 0.57 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3k8p h ARG 505 CO 0.03 0.30 -0.38 -0.09 -1.07 0.00 0.00 179.97 178.75 3k8p h ARG 506 N 0.46 0.91 -0.23 0.04 9.65 -0.21 -2.04 114.38 122.96 3k8p h ARG 506 Ca 0.25 -0.48 0.05 0.00 -1.10 0.00 0.00 59.98 58.70 3k8p h ARG 506 Cb 0.39 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.94 3k8p h ARG 506 CO -0.07 1.14 -0.09 1.25 2.80 0.00 0.00 179.97 184.99 3k8p h LEU 507 N 0.72 -0.32 -0.71 3.80 5.85 0.71 -2.39 115.31 122.96 3k8p h LEU 507 Ca 0.06 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3k8p h LEU 507 Cb 0.98 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 3k8p h LEU 507 CO 0.09 -0.12 0.41 0.44 -0.34 0.00 0.00 178.44 178.92 3k8p h ASP 508 N -0.06 0.63 -0.19 1.25 3.32 -0.64 -1.11 116.42 119.62 3k8p h ASP 508 Ca 0.12 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.25 3k8p h ASP 508 Cb 0.24 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 3k8p h ASP 508 CO -0.27 0.41 -0.20 0.25 -1.72 0.00 0.00 179.24 177.71 3k8p h LEU 509 N 0.76 -0.64 -1.12 1.55 5.85 -1.02 0.22 115.31 120.92 3k8p h LEU 509 Ca 0.31 0.12 -0.09 0.00 0.84 0.00 0.00 57.88 59.06 3k8p h LEU 509 Cb 0.16 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3k8p h LEU 509 CO -0.17 -0.25 -0.37 0.78 -0.34 0.00 0.00 178.44 178.09 3k8p h ASN 510 N -0.23 0.13 -0.15 1.25 2.35 -0.99 0.13 115.58 118.07 3k8p h ASN 510 Ca 0.12 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3k8p h ASN 510 Cb 0.41 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 3k8p h ASN 510 CO -0.32 0.49 -0.03 -0.07 -1.65 0.00 0.00 177.43 175.85 3k8p h LEU 511 N 0.11 0.30 -1.05 1.61 3.38 -0.78 -1.73 115.31 117.15 3k8p h LEU 511 Ca 0.01 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.67 3k8p h LEU 511 Cb 0.71 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 3k8p h LEU 511 CO 0.05 0.59 0.64 0.78 0.09 0.00 0.00 178.44 180.59 3k8p h ASN 512 N -0.00 1.03 -0.25 -0.43 2.35 -0.12 0.49 115.58 118.65 3k8p h ASN 512 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3k8p h ASN 512 Cb 0.46 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3k8p h ASN 512 CO 0.01 0.68 0.16 -0.07 -1.65 0.00 0.00 177.43 176.56 3k8p h LEU 513 N 1.18 0.29 -0.79 1.61 3.38 -0.68 0.25 115.31 120.55 3k8p h LEU 513 Ca 0.41 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.37 3k8p h LEU 513 Cb 0.10 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3k8p h LEU 513 CO -0.15 0.22 0.52 0.40 0.09 0.00 0.00 178.44 179.52 3k8p h ILE 514 N 0.33 1.19 -0.47 1.22 2.04 -0.29 -1.94 117.51 119.59 3k8p h ILE 514 Ca 0.09 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 3k8p h ILE 514 Cb -0.03 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.07 3k8p h ILE 514 CO -0.02 0.19 0.18 0.11 0.00 0.00 0.00 178.15 178.62 3k8p h LYS 515 N 1.06 0.70 -0.26 2.37 1.57 0.26 -2.77 116.57 119.50 3k8p h LYS 515 Ca 0.29 -0.13 0.04 0.00 -1.87 0.00 0.00 60.65 58.98 3k8p h LYS 515 Cb -0.11 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 3k8p h LYS 515 CO -0.07 0.64 0.05 -0.22 -0.57 0.00 0.00 179.45 179.28 3k8p h LYS 516 N 0.61 0.14 -0.63 3.15 3.64 -0.18 0.36 116.57 123.67 3k8p h LYS 516 Ca 0.16 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.63 3k8p h LYS 516 Cb 0.20 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.92 3k8p h LYS 516 CO -0.01 0.09 0.24 1.15 -2.27 0.00 0.00 179.45 178.65 3k8p h THR 517 N 0.14 0.76 -0.14 1.00 2.02 -1.31 -2.17 112.91 113.21 3k8p h THR 517 Ca 0.12 -0.14 -0.21 0.00 0.77 0.00 0.00 66.41 66.95 3k8p h THR 517 Cb 0.13 0.30 0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3k8p h THR 517 CO -0.16 0.08 -0.75 0.40 0.37 0.00 0.00 175.52 175.46 3k8p h ILE 518 N 0.42 1.30 -0.58 3.11 2.04 -1.13 -2.69 117.51 119.99 3k8p h ILE 518 Ca 0.32 -1.99 0.04 0.00 1.00 0.00 0.00 64.86 64.23 3k8p h ILE 518 Cb 0.40 1.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 3k8p h ILE 518 CO -0.32 0.62 0.32 0.22 0.00 0.00 0.00 178.15 179.00 3k8p h TYR 519 N 0.48 0.60 -0.27 1.37 3.20 -0.06 -1.01 116.97 121.29 3k8p h TYR 519 Ca -0.04 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 3k8p h TYR 519 Cb 1.36 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 3k8p h TYR 519 CO 0.07 0.31 -0.19 -0.22 -1.64 0.00 0.00 178.16 176.49 3k8p h LYS 520 N 0.63 0.60 -0.06 1.82 3.64 -1.38 -0.27 116.57 121.55 3k8p h LYS 520 Ca 0.25 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3k8p h LYS 520 Cb 0.11 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3k8p h LYS 520 CO -0.14 0.88 0.03 -0.07 -2.27 0.00 0.00 179.45 177.88 3k8p h LEU 521 N 0.33 0.05 -0.21 5.20 3.38 -1.30 0.10 115.31 122.87 3k8p h LEU 521 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3k8p h LEU 521 Cb 0.73 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3k8p h LEU 521 CO 0.05 0.04 0.04 0.58 0.09 0.00 0.00 178.44 179.24 3k8p h VAL 522 N 0.07 1.22 -0.73 1.22 2.07 -1.15 0.76 116.25 119.71 3k8p h VAL 522 Ca 0.02 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.84 3k8p h VAL 522 Cb -0.00 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3k8p h VAL 522 CO -0.01 0.22 0.48 0.78 0.02 0.00 0.00 177.57 179.06 3k8p h ASN 523 N 0.14 0.80 0.26 0.57 2.35 -0.92 -0.90 115.58 117.88 3k8p h ASN 523 Ca 0.06 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 3k8p h ASN 523 Cb 0.30 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3k8p h ASN 523 CO 0.00 0.56 -0.13 0.44 -1.65 0.00 0.00 177.43 176.66 3k8p h ASP 524 N 0.93 -0.30 -0.84 5.81 3.32 -0.19 -0.14 116.42 125.01 3k8p h ASP 524 Ca 0.28 -0.19 0.15 0.00 0.02 0.00 0.00 57.03 57.29 3k8p h ASP 524 Cb -0.02 0.08 -0.10 0.00 0.22 0.00 0.00 39.33 39.51 3k8p h ASP 524 CO -0.07 0.04 0.42 -0.61 -1.72 0.00 0.00 179.24 177.31 3k8p h GLN 525 N -0.67 0.58 -0.17 3.56 5.75 -0.76 0.10 115.11 123.49 3k8p h GLN 525 Ca -0.04 -0.03 -0.16 0.00 -0.15 0.00 0.00 58.65 58.27 3k8p h GLN 525 Cb 0.47 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 3k8p h GLN 525 CO 0.06 0.38 -0.56 -0.07 -2.65 0.00 0.00 178.83 175.99 3k8p h LEU 526 N 0.60 0.57 -0.13 -2.39 3.38 -1.03 0.19 115.31 116.50 3k8p h LEU 526 Ca 0.46 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3k8p h LEU 526 Cb 0.67 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3k8p h LEU 526 CO -0.37 1.01 0.04 -0.61 0.09 0.00 0.00 178.44 178.59 3k8p h GLN 527 N 0.39 0.21 -0.50 1.13 5.75 -0.33 0.41 115.11 122.17 3k8p h GLN 527 Ca 0.01 -0.05 0.10 0.00 -0.15 0.00 0.00 58.65 58.56 3k8p h GLN 527 Cb 1.09 -0.03 -0.10 0.00 1.07 0.00 0.00 27.48 29.52 3k8p h GLN 527 CO 0.10 0.35 -0.13 1.49 -2.65 0.00 0.00 178.83 178.00 3k8p h GLU 528 N 0.03 -0.00 0.13 1.69 4.57 -0.54 -0.62 114.58 119.84 3k8p h GLU 528 Ca 0.04 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 3k8p h GLU 528 Cb 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 3k8p h GLU 528 CO -0.00 -0.00 -0.06 -0.07 -1.18 0.00 0.00 179.01 177.69 3k8p h LEU 529 N -0.00 -0.15 -0.79 1.64 3.38 -0.65 -0.56 115.31 118.18 3k8p h LEU 529 Ca 0.24 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.26 3k8p h LEU 529 Cb 0.37 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.08 3k8p h LEU 529 CO -0.52 -0.04 0.42 0.50 0.09 0.00 0.00 178.44 178.89 3k8p h LYS 530 N -0.25 0.67 0.00 1.13 3.64 -0.24 -2.35 116.57 119.17 3k8p h LYS 530 Ca -0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3k8p h LYS 530 Cb 0.20 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3k8p h LYS 530 CO 0.03 0.45 -0.46 -0.25 -2.27 0.00 0.00 179.45 176.95 3k8p n ASP 531 N -4.81 0.63 -2.82 4.20 8.00 -0.30 -4.28 116.55 117.16 3k8p n ASP 531 Ca 0.13 0.16 -0.18 0.00 0.71 0.00 0.00 54.79 55.61 3k8p n ASP 531 Cb 0.30 -0.02 -0.00 0.00 -0.02 0.00 0.00 41.12 41.38 3k8p n ASP 531 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3k8p n ASN 532 N -1.98 2.39 -0.37 -2.24 4.13 -0.23 -4.96 115.26 112.00 3k8p n ASN 532 Ca 0.04 -3.15 -0.02 0.00 1.68 0.00 0.00 54.58 53.13 3k8p n ASN 532 Cb 0.41 -0.55 0.03 0.00 -1.54 0.00 0.00 39.78 38.14 3k8p n ASN 532 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3k8p h GLU 533 N 2.91 -0.02 -0.14 3.52 5.08 -1.69 -1.65 114.58 122.60 3k8p h GLU 533 Ca 0.07 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 3k8p h GLU 533 Cb 0.96 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 3k8p h GLU 533 CO 0.62 -0.01 -0.58 -0.09 -1.00 0.00 0.00 179.01 177.95 3k8p h ARG 534 N -0.02 0.46 -0.85 2.33 2.43 -1.93 -3.37 114.38 113.43 3k8p h ARG 534 Ca 0.33 -0.30 -0.36 0.00 -0.81 0.00 0.00 59.98 58.84 3k8p h ARG 534 Cb 0.59 0.04 -0.25 0.00 -0.42 0.00 0.00 29.97 29.93 3k8p h ARG 534 CO -0.96 0.91 -0.76 -2.37 -1.51 0.00 0.00 179.97 175.28 3k8p n THR 535 N -3.93 -0.23 -2.25 0.20 5.66 -1.10 -5.13 114.28 107.50 3k8p n THR 535 Ca -0.03 -2.64 -0.33 0.00 -3.05 0.00 0.00 64.05 58.00 3k8p n THR 535 Cb 0.62 0.24 -0.01 0.00 -1.55 0.00 0.00 70.33 69.62 3k8p n THR 535 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 3k8p s PRO 536 N -0.33 3.58 -0.32 1.09 0.04 -0.64 -4.97 135.00 133.45 3k8p s PRO 536 Ca 0.32 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.40 3k8p s PRO 536 Cb 0.24 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 3k8p s PRO 536 CO -0.15 -0.59 0.35 0.34 0.04 0.00 0.00 177.00 176.98 3k8p s ASP 537 N -2.64 6.19 0.00 6.66 2.15 -1.26 -4.96 116.67 122.81 3k8p s ASP 537 Ca 0.63 -0.06 0.16 0.00 0.43 0.00 0.00 52.55 53.72 3k8p s ASP 537 Cb -0.15 -2.19 0.64 0.00 -0.30 0.00 0.00 42.92 40.92 3k8p s ASP 537 CO 0.31 -0.27 1.46 0.79 -0.17 0.00 0.00 175.17 177.29 3k8p n TRP 538 N 5.34 0.22 -0.12 -5.34 7.02 -1.26 -4.47 117.44 118.84 3k8p n TRP 538 Ca -0.09 -0.11 -0.07 0.00 -1.02 0.00 0.00 57.50 56.21 3k8p n TRP 538 Cb 0.50 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.40 3k8p n TRP 538 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 3k8p h ASP 539 N 1.61 0.30 -0.75 -0.99 1.82 -1.98 -1.56 116.42 114.87 3k8p h ASP 539 Ca 0.00 0.01 0.17 0.00 -0.39 0.00 0.00 57.03 56.82 3k8p h ASP 539 Cb 0.36 -0.04 -0.13 0.00 0.68 0.00 0.00 39.33 40.19 3k8p h ASP 539 CO 0.00 0.22 0.02 0.40 -1.61 0.00 0.00 179.24 178.27 3k8p h ILE 540 N 0.40 0.36 -0.03 2.25 2.04 -1.97 0.55 117.51 121.12 3k8p h ILE 540 Ca 0.16 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 3k8p h ILE 540 Cb 0.05 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3k8p h ILE 540 CO -0.10 0.02 -0.16 0.74 0.00 0.00 0.00 178.15 178.65 3k8p h THR 541 N 0.12 1.50 -0.03 -0.27 2.02 -1.67 0.13 112.91 114.70 3k8p h THR 541 Ca 0.41 -1.69 -0.21 0.00 0.77 0.00 0.00 66.41 65.70 3k8p h THR 541 Cb 0.72 2.53 -0.00 0.00 -1.74 0.00 0.00 68.15 69.66 3k8p h THR 541 CO -0.65 0.46 -0.86 0.40 0.37 0.00 0.00 175.52 175.24 3k8p h ILE 542 N -0.45 1.40 0.00 3.11 2.04 -1.11 -1.97 117.51 120.53 3k8p h ILE 542 Ca -0.01 -2.36 -0.03 0.00 1.00 0.00 0.00 64.86 63.46 3k8p h ILE 542 Cb 0.83 2.32 -0.01 0.00 -0.74 0.00 0.00 36.82 39.22 3k8p h ILE 542 CO 0.03 0.70 -1.94 -1.20 0.00 0.00 0.00 178.15 175.74 3k8p n SER 543 N -3.77 0.45 0.00 1.72 7.64 0.17 -4.55 113.62 115.28 3k8p n SER 543 Ca -0.06 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.80 3k8p n SER 543 Cb 0.79 1.82 -0.01 0.00 -1.01 0.00 0.00 64.21 65.80 3k8p n SER 543 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3k8p n SER 544 N -2.24 0.77 0.24 6.43 7.64 -0.63 -4.69 113.62 121.15 3k8p n SER 544 Ca -0.06 0.11 -0.13 0.00 1.01 0.00 0.00 58.87 59.80 3k8p n SER 544 Cb 0.57 -0.26 -0.07 0.00 -1.01 0.00 0.00 64.21 63.44 3k8p n SER 544 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3k8p h LEU 545 N -0.15 -0.55 0.11 -3.43 5.85 -0.81 -2.26 115.31 114.08 3k8p h LEU 545 Ca -0.05 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.62 3k8p h LEU 545 Cb 0.62 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 3k8p h LEU 545 CO -0.03 -0.15 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.61 3k8p h LEU 546 N -1.05 -0.70 -0.62 2.25 4.07 -1.61 -1.14 115.31 116.52 3k8p h LEU 546 Ca -0.07 0.08 0.07 0.00 0.08 0.00 0.00 57.88 58.04 3k8p h LEU 546 Cb 0.58 0.27 -0.06 0.00 1.08 0.00 0.00 40.66 42.53 3k8p h LEU 546 CO 0.11 -0.34 0.31 -0.65 -1.08 0.00 0.00 178.44 176.79 3k8p h PRO 547 N -0.45 0.55 -0.42 1.13 0.11 -1.80 0.03 132.00 131.14 3k8p h PRO 547 Ca 0.03 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.20 3k8p h PRO 547 Cb 0.48 -0.12 -0.09 0.00 0.11 0.00 0.00 31.00 31.37 3k8p h PRO 547 CO -0.14 0.36 -0.18 -0.92 -0.21 0.00 0.00 178.00 176.91 3k8p h TYR 548 N 0.56 -0.44 0.29 0.65 3.20 -1.07 0.39 116.97 120.55 3k8p h TYR 548 Ca 0.29 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 3k8p h TYR 548 Cb 0.24 0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.77 3k8p h TYR 548 CO -0.11 -0.26 -0.14 -0.07 -1.64 0.00 0.00 178.16 175.94 3k8p h LEU 549 N -0.10 -0.33 -0.42 2.82 3.38 -0.71 0.66 115.31 120.62 3k8p h LEU 549 Ca 0.21 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3k8p h LEU 549 Cb 0.41 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3k8p h LEU 549 CO -0.49 -0.10 -0.10 0.11 0.09 0.00 0.00 178.44 177.95 3k8p h LYS 550 N -0.55 0.80 0.00 1.13 1.57 -0.72 -2.28 116.57 116.53 3k8p h LYS 550 Ca -0.04 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3k8p h LYS 550 Cb 0.40 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3k8p h LYS 550 CO 0.07 0.93 -1.66 1.63 -0.57 0.00 0.00 179.45 179.84 3k8p n LYS 551 N -4.31 0.57 0.02 3.15 5.02 0.13 -4.34 118.16 118.40 3k8p n LYS 551 Ca -0.01 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 3k8p n LYS 551 Cb 0.37 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3k8p n LYS 551 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3k8p n THR 552 N -2.01 0.25 0.43 -0.18 -1.04 -0.17 -4.74 114.28 106.82 3k8p n THR 552 Ca -0.02 0.08 -0.19 0.00 -2.04 0.00 0.00 64.05 61.88 3k8p n THR 552 Cb 0.47 -0.96 -0.09 0.00 -1.82 0.00 0.00 70.33 67.92 3k8p n THR 552 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k8p h ALA 553 N 0.00 -1.10 -0.12 2.41 0.00 -1.06 -1.66 119.26 117.74 3k8p h ALA 553 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3k8p h ALA 553 Cb 0.00 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3k8p h ALA 553 CO 0.00 -1.12 0.07 -0.07 0.00 0.00 0.00 179.25 178.13 3k8p h LEU 554 N -1.09 0.14 -1.27 0.00 3.38 -1.63 0.10 115.31 114.94 3k8p h LEU 554 Ca -0.11 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3k8p h LEU 554 Cb 0.85 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3k8p h LEU 554 CO 0.16 0.14 0.14 -0.65 0.09 0.00 0.00 178.44 178.32 3k8p h PRO 555 N 0.13 0.64 0.37 1.13 0.11 -1.75 0.19 132.00 132.82 3k8p h PRO 555 Ca 0.04 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 3k8p h PRO 555 Cb 0.02 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 3k8p h PRO 555 CO -0.01 0.56 -0.31 1.15 -0.21 0.00 0.00 178.00 179.18 3k8p h THR 556 N 0.63 0.35 0.00 -1.15 2.02 -0.88 -3.01 112.91 110.87 3k8p h THR 556 Ca 0.15 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.29 3k8p h THR 556 Cb 0.19 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3k8p h THR 556 CO -0.01 0.00 -0.17 -0.07 0.37 0.00 0.00 175.52 175.64 3k8p h LEU 557 N -0.69 0.00 -0.82 2.58 3.38 -0.22 -1.95 115.31 117.58 3k8p h LEU 557 Ca -0.03 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.00 3k8p h LEU 557 Cb 0.61 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 3k8p h LEU 557 CO -0.02 0.17 0.50 1.88 0.09 0.00 0.00 178.44 181.06 3k8p h TYR 558 N 0.00 0.93 -1.12 1.13 0.05 -0.52 -2.13 116.97 115.31 3k8p h TYR 558 Ca -0.00 0.03 0.31 0.00 0.05 0.00 0.00 58.73 59.12 3k8p h TYR 558 Cb 0.30 -0.30 -0.07 0.00 1.01 0.00 0.00 36.73 37.67 3k8p h TYR 558 CO 0.00 0.46 0.77 0.87 -1.05 0.00 0.00 178.16 179.21 3k8p h LYS 559 N 0.91 0.17 0.00 4.88 1.57 -1.24 -1.34 116.57 121.51 3k8p h LYS 559 Ca 0.36 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3k8p h LYS 559 Cb 0.19 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3k8p h LYS 559 CO -0.18 0.11 0.00 1.28 -0.57 0.00 0.00 179.45 180.09 3k8p n LEU 560 N -4.40 0.19 -3.86 2.94 4.77 -0.80 -4.89 117.00 110.95 3k8p n LEU 560 Ca 0.26 0.56 -0.29 0.00 -0.03 0.00 0.00 56.01 56.51 3k8p n LEU 560 Cb 1.09 -0.55 0.03 0.00 -2.33 0.00 0.00 43.42 41.66 3k8p n LEU 560 CO 0.33 -0.43 0.09 -0.62 -1.33 0.00 0.00 177.39 175.43 3k8p n GLU 561 N -1.73 -5.62 -3.26 3.23 1.02 -0.51 -4.93 120.64 108.84 3k8p n GLU 561 Ca 0.02 0.62 -0.21 0.00 -0.02 0.00 0.00 57.16 57.57 3k8p n GLU 561 Cb 0.13 -5.47 -0.08 0.00 -0.02 0.00 0.00 31.44 26.01 3k8p n GLU 561 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3k8p s ASP 562 N -3.46 0.87 0.41 1.62 -1.08 -1.26 -4.99 116.67 108.78 3k8p s ASP 562 Ca 0.57 -2.53 0.21 0.00 -0.52 0.00 0.00 52.55 50.28 3k8p s ASP 562 Cb -0.28 0.20 1.16 0.00 -1.46 0.00 0.00 42.92 42.53 3k8p s ASP 562 CO 0.82 -0.17 1.61 0.78 0.52 0.00 0.00 175.17 178.73 3k8p h ASN 563 N 5.78 0.00 -0.72 -0.34 -0.26 -1.94 -0.13 115.58 117.97 3k8p h ASN 563 Ca 0.18 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.89 3k8p h ASN 563 Cb 0.98 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.20 3k8p h ASN 563 CO 0.26 0.00 0.32 0.74 -1.06 0.00 0.00 177.43 177.69 3k8p h THR 564 N 0.00 1.24 -0.29 2.81 2.02 -1.99 -2.27 112.91 114.43 3k8p h THR 564 Ca 0.00 -0.73 -0.13 0.00 0.77 0.00 0.00 66.41 66.31 3k8p h THR 564 Cb 0.38 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3k8p h THR 564 CO 0.00 0.30 -0.34 0.40 0.37 0.00 0.00 175.52 176.26 3k8p h ILE 565 N 1.06 1.30 -0.67 3.11 2.04 -1.44 -1.47 117.51 121.44 3k8p h ILE 565 Ca 0.25 -1.52 0.05 0.00 1.00 0.00 0.00 64.86 64.65 3k8p h ILE 565 Cb 0.16 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 3k8p h ILE 565 CO -0.03 0.49 0.38 -0.07 0.00 0.00 0.00 178.15 178.92 3k8p h LEU 566 N 0.49 0.58 -0.87 1.44 3.38 -1.61 -1.49 115.31 117.23 3k8p h LEU 566 Ca 0.04 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3k8p h LEU 566 Cb 0.92 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3k8p h LEU 566 CO 0.08 0.38 -0.22 0.58 0.09 0.00 0.00 178.44 179.35 3k8p h VAL 567 N 0.71 1.26 -0.44 1.22 2.07 -1.24 -1.45 116.25 118.39 3k8p h VAL 567 Ca 0.29 -1.26 -0.13 0.00 0.82 0.00 0.00 66.70 66.42 3k8p h VAL 567 Cb 0.15 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3k8p h VAL 567 CO -0.17 0.41 -0.25 0.00 0.02 0.00 0.00 177.57 177.59 3k8p h ALA 568 N 1.24 0.73 -0.02 1.67 0.00 -0.78 -0.77 119.26 121.34 3k8p h ALA 568 Ca 0.08 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3k8p h ALA 568 Cb 0.66 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3k8p h ALA 568 CO 0.05 0.67 0.01 1.25 0.00 0.00 0.00 179.25 181.22 3k8p h LEU 569 N 0.79 0.03 -0.69 0.00 5.85 -1.04 -0.74 115.31 119.51 3k8p h LEU 569 Ca 0.10 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3k8p h LEU 569 Cb 0.81 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 3k8p h LEU 569 CO 0.07 0.20 0.43 0.40 -0.34 0.00 0.00 178.44 179.20 3k8p h ILE 570 N -0.14 1.10 -0.48 4.05 5.03 -1.20 -0.57 117.51 125.30 3k8p h ILE 570 Ca 0.01 -0.29 -0.01 0.00 -0.12 0.00 0.00 64.86 64.45 3k8p h ILE 570 Cb 0.18 0.17 -0.02 0.00 -3.03 0.00 0.00 36.82 34.12 3k8p h ILE 570 CO -0.00 0.15 0.28 -0.09 -0.68 0.00 0.00 178.15 177.81 3k8p h ARG 571 N 0.85 0.67 -0.18 2.37 2.43 -0.99 -1.21 114.38 118.32 3k8p h ARG 571 Ca 0.28 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3k8p h ARG 571 Cb 0.01 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3k8p h ARG 571 CO -0.10 0.51 0.07 -0.92 -1.51 0.00 0.00 179.97 178.01 3k8p h TYR 572 N 0.64 0.12 -0.15 2.20 3.20 -0.74 -1.60 116.97 120.65 3k8p h TYR 572 Ca 0.17 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 3k8p h TYR 572 Cb 0.03 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3k8p h TYR 572 CO -0.02 0.07 0.06 0.82 -1.64 0.00 0.00 178.16 177.44 3k8p h ILE 573 N 0.16 1.16 -0.21 1.81 2.04 -0.86 -1.69 117.51 119.92 3k8p h ILE 573 Ca 0.07 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 3k8p h ILE 573 Cb 0.04 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3k8p h ILE 573 CO -0.07 0.15 0.02 0.58 0.00 0.00 0.00 178.15 178.83 3k8p h VAL 574 N 0.09 1.24 0.00 1.67 2.07 -1.17 -0.61 116.25 119.53 3k8p h VAL 574 Ca 0.05 -0.80 -0.11 0.00 0.82 0.00 0.00 66.70 66.66 3k8p h VAL 574 Cb 0.18 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3k8p h VAL 574 CO -0.00 0.25 -1.12 1.41 0.02 0.00 0.00 177.57 178.12 3k8p n HIS 575 N -4.71 0.47 0.24 1.57 8.25 -0.61 -1.60 115.22 118.84 3k8p n HIS 575 Ca -0.04 0.21 0.13 0.00 -0.26 0.00 0.00 57.72 57.75 3k8p n HIS 575 Cb 0.21 -0.76 0.47 0.00 1.12 0.00 0.00 29.99 31.03 3k8p n HIS 575 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3k8p h ASP 576 N -1.00 0.00 0.00 0.41 3.32 -1.47 -1.78 116.42 115.90 3k8p h ASP 576 Ca -0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3k8p h ASP 576 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.53 3k8p h ASP 576 CO -0.10 0.11 0.00 -0.11 -1.72 0.00 0.00 179.24 177.42 3k8p n LEU 577 N -3.20 0.00 0.48 1.55 7.94 -0.86 -4.55 117.00 118.36 3k8p n LEU 577 Ca 0.01 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.72 3k8p n LEU 577 Cb 0.41 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.28 3k8p n LEU 577 CO 0.31 0.00 0.53 0.58 -1.11 0.00 0.00 177.39 177.70 3k8p h VAL 578 N 0.00 0.00 -0.76 1.96 2.07 -1.22 -1.16 116.25 117.13 3k8p h VAL 578 Ca 0.00 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3k8p h VAL 578 Cb 0.00 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.73 3k8p h VAL 578 CO 0.00 0.00 0.39 0.40 0.02 0.00 0.00 177.57 178.38 3k8p h ILE 579 N -1.25 1.24 -0.64 4.57 2.04 -1.41 -0.89 117.51 121.18 3k8p h ILE 579 Ca -0.13 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.05 3k8p h ILE 579 Cb 0.94 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3k8p h ILE 579 CO 0.21 0.27 0.22 -0.78 0.00 0.00 0.00 178.15 178.07 3k8p h ASP 580 N 1.07 0.92 0.49 1.72 3.58 -1.36 -1.50 116.42 121.33 3k8p h ASP 580 Ca 0.27 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 3k8p h ASP 580 Cb 0.08 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.90 3k8p h ASP 580 CO -0.04 0.87 -0.23 -1.13 -2.88 0.00 0.00 179.24 175.83 3k8p h ASN 581 N 0.92 -0.55 -0.76 2.28 -0.73 -0.78 -2.97 115.58 112.99 3k8p h ASN 581 Ca 0.21 0.01 0.02 0.00 1.87 0.00 0.00 56.30 58.41 3k8p h ASN 581 Cb 0.26 0.14 -0.04 0.00 0.27 0.00 0.00 38.32 38.95 3k8p h ASN 581 CO -0.01 -0.38 0.50 0.40 -0.37 0.00 0.00 177.43 177.57 3k8p h ILE 582 N -0.68 1.15 0.00 2.57 2.04 -1.06 -1.68 117.51 119.85 3k8p h ILE 582 Ca -0.07 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 3k8p h ILE 582 Cb 0.51 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3k8p h ILE 582 CO 0.11 0.18 -0.04 -0.07 0.00 0.00 0.00 178.15 178.33 3k8p h LEU 583 N 0.96 0.00 -0.86 1.44 3.38 -1.15 -2.11 115.31 116.97 3k8p h LEU 583 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3k8p h LEU 583 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3k8p h LEU 583 CO -0.08 0.04 -0.21 1.41 0.09 0.00 0.00 178.44 179.69 3k8p n HIS 584 N -3.30 0.00 -1.35 1.13 8.25 -0.63 -4.91 115.22 114.41 3k8p n HIS 584 Ca -0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.08 3k8p n HIS 584 Cb 0.19 -0.06 0.08 0.00 1.12 0.00 0.00 29.99 31.32 3k8p n HIS 584 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 3k8p n TRP 585 N -0.11 0.23 -0.04 4.41 7.02 -0.80 -4.88 117.44 123.26 3k8p n TRP 585 Ca 0.13 0.39 -0.16 0.00 -1.02 0.00 0.00 57.50 56.85 3k8p n TRP 585 Cb 0.40 -2.03 -0.07 0.00 -2.42 0.00 0.00 31.31 27.18 3k8p n TRP 585 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 3k8p h ARG 586 N -0.23 0.63 -3.46 -0.99 2.43 -1.90 -3.46 114.38 107.39 3k8p h ARG 586 Ca -0.47 -0.46 -0.08 0.00 -0.81 0.00 0.00 59.98 58.16 3k8p h ARG 586 Cb 1.34 0.08 -0.15 0.00 -0.42 0.00 0.00 29.97 30.82 3k8p h ARG 586 CO 0.46 1.08 -0.23 0.54 -1.51 0.00 0.00 179.97 180.31 3k8p s VAL 587 N -3.86 0.10 -0.33 0.20 0.11 -1.26 -4.92 120.40 110.43 3k8p s VAL 587 Ca -0.12 -0.78 0.02 0.00 -2.93 0.00 0.00 61.98 58.16 3k8p s VAL 587 Cb 0.07 -1.11 0.10 0.00 -1.53 0.00 0.00 36.38 33.91 3k8p s VAL 587 CO 0.84 -0.43 0.08 -0.63 -3.33 0.00 0.00 175.10 171.63 3k8p s ILE 588 N -3.26 1.57 0.94 7.04 1.01 -0.23 -5.06 121.20 123.21 3k8p s ILE 588 Ca -0.00 -1.89 -0.11 0.00 0.00 0.00 0.00 60.65 58.65 3k8p s ILE 588 Cb 0.02 -2.17 0.16 0.00 0.01 0.00 0.00 42.46 40.47 3k8p s ILE 588 CO -0.08 -0.65 1.11 -0.94 0.00 0.00 0.00 174.94 174.38 3k8p s SER 589 N 1.23 2.88 0.14 3.58 1.04 -1.26 -4.44 113.70 116.86 3k8p s SER 589 Ca 0.11 1.89 -0.21 0.00 0.48 0.00 0.00 55.95 58.21 3k8p s SER 589 Cb -0.18 -2.44 0.01 0.00 0.10 0.00 0.00 66.02 63.50 3k8p s SER 589 CO -0.16 -3.08 1.66 -0.33 0.98 0.00 0.00 173.24 172.30 3k8p h GLU 590 N -1.85 -0.17 -0.50 4.02 3.07 -1.96 0.34 114.58 117.52 3k8p h GLU 590 Ca -0.48 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.38 3k8p h GLU 590 Cb 1.28 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 29.20 3k8p h GLU 590 CO 0.47 -0.12 0.28 -0.22 -1.40 0.00 0.00 179.01 178.02 3k8p h LYS 591 N -0.18 0.70 -0.88 2.33 1.63 -1.96 -2.24 116.57 115.98 3k8p h LYS 591 Ca 0.12 -0.08 0.01 0.00 -0.85 0.00 0.00 60.65 59.86 3k8p h LYS 591 Cb 0.36 -0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 31.81 3k8p h LYS 591 CO -0.31 0.54 0.58 0.77 -3.45 0.00 0.00 179.45 177.59 3k8p h SER 592 N 0.67 0.99 -0.61 4.20 0.02 -1.74 -0.62 113.55 116.46 3k8p h SER 592 Ca 0.18 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 3k8p h SER 592 Cb 0.05 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.30 3k8p h SER 592 CO -0.03 0.71 0.36 0.77 -1.14 0.00 0.00 176.83 177.50 3k8p h SER 593 N 1.17 0.57 -0.24 3.07 4.64 -0.00 0.62 113.55 123.38 3k8p h SER 593 Ca 0.33 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.65 3k8p h SER 593 Cb -0.10 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 3k8p h SER 593 CO -0.08 0.39 0.09 -0.33 -0.87 0.00 0.00 176.83 176.04 3k8p h GLU 594 N 0.70 0.36 -0.36 4.77 5.08 -0.88 -0.78 114.58 123.46 3k8p h GLU 594 Ca 0.25 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.62 3k8p h GLU 594 Cb 0.07 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.19 3k8p h GLU 594 CO -0.12 0.41 -0.06 -0.91 -1.00 0.00 0.00 179.01 177.32 3k8p h ASN 595 N 0.23 -0.28 -0.67 1.42 2.35 -0.60 -0.48 115.58 117.55 3k8p h ASN 595 Ca 0.08 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 3k8p h ASN 595 Cb 0.18 0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 3k8p h ASN 595 CO -0.01 -0.10 0.34 -0.07 -1.65 0.00 0.00 177.43 175.95 3k8p h LEU 596 N 0.03 0.88 -0.22 1.61 3.38 0.57 0.56 115.31 122.13 3k8p h LEU 596 Ca 0.18 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3k8p h LEU 596 Cb 0.26 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3k8p h LEU 596 CO -0.35 0.74 0.08 -1.28 0.09 0.00 0.00 178.44 177.72 3k8p h SER 597 N 0.98 0.30 -0.66 -0.43 0.87 -0.78 -1.20 113.55 112.62 3k8p h SER 597 Ca 0.24 -0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.68 3k8p h SER 597 Cb 0.08 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 3k8p h SER 597 CO -0.03 0.39 0.37 -0.33 -0.53 0.00 0.00 176.83 176.70 3k8p h GLU 598 N 0.20 0.67 -0.18 2.24 5.08 -0.23 -2.71 114.58 119.65 3k8p h GLU 598 Ca 0.07 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3k8p h GLU 598 Cb 0.18 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 3k8p h GLU 598 CO -0.01 0.44 -0.19 0.35 -1.00 0.00 0.00 179.01 178.61 3k8p h PHE 599 N 0.69 -0.48 0.00 4.33 3.57 -0.73 -2.54 116.94 121.78 3k8p h PHE 599 Ca 0.29 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.82 3k8p h PHE 599 Cb 0.16 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.14 3k8p h PHE 599 CO -0.07 -0.26 0.00 -0.89 -2.23 0.00 0.00 178.31 174.85 3k8p n ILE 600 N -5.33 0.00 0.00 1.41 5.41 -0.47 -0.55 119.36 119.82 3k8p n ILE 600 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 3k8p n ILE 600 Cb 0.25 -0.29 0.00 0.00 -0.71 0.00 0.00 39.64 38.89 3k8p n ILE 600 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3k8p n LEU 602 N 0.77 0.00 -0.05 1.39 4.77 -0.96 -0.21 117.00 122.71 3k8p n LEU 602 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3k8p n LEU 602 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3k8p n LEU 602 CO 0.00 0.00 0.97 0.25 -1.33 0.00 0.00 177.39 177.28 3k8p h LEU 603 N 0.00 0.26 -0.91 2.23 5.85 -1.10 -2.53 115.31 119.11 3k8p h LEU 603 Ca 0.00 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3k8p h LEU 603 Cb 0.00 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 3k8p h LEU 603 CO 0.00 0.19 0.58 -0.07 -0.34 0.00 0.00 178.44 178.80 3k8p h LEU 604 N 0.31 0.91 -1.23 2.25 3.38 -0.84 0.96 115.31 121.05 3k8p h LEU 604 Ca 0.08 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.29 3k8p h LEU 604 Cb -0.03 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.44 3k8p h LEU 604 CO -0.02 0.58 0.62 -1.28 0.09 0.00 0.00 178.44 178.44 3k8p h SER 605 N 1.05 0.59 0.23 -0.43 0.87 -1.71 -1.68 113.55 112.47 3k8p h SER 605 Ca 0.40 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 3k8p h SER 605 Cb 0.17 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3k8p h SER 605 CO -0.17 0.18 -0.34 0.61 -0.53 0.00 0.00 176.83 176.58 3k8p n GLY 606 N -1.42 -0.63 1.21 5.77 0.00 0.25 -3.77 105.19 106.61 3k8p n GLY 606 Ca 0.23 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.90 3k8p n GLY 606 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k8p n LEU 607 N -0.72 4.40 -4.53 0.99 4.77 -0.65 -4.70 117.00 116.56 3k8p n LEU 607 Ca 0.11 -2.86 -0.43 0.00 -0.03 0.00 0.00 56.01 52.80 3k8p n LEU 607 Cb 0.36 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 3k8p n LEU 607 CO 0.28 0.68 0.71 -0.70 -1.33 0.00 0.00 177.39 177.03 3k8p s GLU 608 N -2.57 3.39 -0.51 3.23 2.12 -1.08 -4.96 118.70 118.33 3k8p s GLU 608 Ca 0.45 -0.14 0.03 0.00 0.36 0.00 0.00 54.97 55.67 3k8p s GLU 608 Cb 0.34 -4.00 0.15 0.00 0.26 0.00 0.00 34.13 30.88 3k8p s GLU 608 CO 0.13 -1.35 0.31 0.42 -0.54 0.00 0.00 175.26 174.23 3k8p s ILE 609 N 3.75 1.79 0.49 -3.70 1.01 -1.26 -4.98 121.20 118.30 3k8p s ILE 609 Ca 0.32 -3.08 0.22 0.00 0.00 0.00 0.00 60.65 58.10 3k8p s ILE 609 Cb -0.12 -2.23 0.38 0.00 0.01 0.00 0.00 42.46 40.51 3k8p s ILE 609 CO 0.22 -0.95 1.96 -0.65 0.00 0.00 0.00 174.94 175.52 3k8p h PRO 610 N 6.25 0.16 0.00 2.79 0.11 -2.03 0.11 132.00 139.39 3k8p h PRO 610 Ca 0.05 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3k8p h PRO 610 Cb 0.88 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3k8p h PRO 610 CO 0.55 0.10 0.23 0.07 -0.21 0.00 0.00 178.00 178.75 3k8p h ARG 611 N 0.16 0.00 -0.47 1.05 0.11 -2.03 0.62 114.38 113.83 3k8p h ARG 611 Ca 0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.38 3k8p h ARG 611 Cb 0.96 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.04 3k8p h ARG 611 CO -0.05 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.30 3k8p n LEU 612 N -2.61 3.43 0.17 0.08 4.77 0.38 -4.59 117.00 118.63 3k8p n LEU 612 Ca -0.02 -1.56 0.10 0.00 -0.03 0.00 0.00 56.01 54.50 3k8p n LEU 612 Cb 0.28 -0.31 0.51 0.00 -2.33 0.00 0.00 43.42 41.57 3k8p n LEU 612 CO 0.12 0.78 0.83 0.78 -1.33 0.00 0.00 177.39 178.57 3k8p h ASN 613 N 4.20 0.00 0.39 -1.43 2.35 -1.02 -0.48 115.58 119.59 3k8p h ASN 613 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3k8p h ASN 613 Cb 0.94 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.31 3k8p h ASN 613 CO 0.00 0.00 -1.62 0.18 -1.65 0.00 0.00 177.43 174.34 3k8p n LEU 614 N -2.20 0.33 -4.72 1.61 4.32 -1.26 -4.89 117.00 110.19 3k8p n LEU 614 Ca -0.01 0.13 -0.42 0.00 -0.02 0.00 0.00 56.01 55.69 3k8p n LEU 614 Cb 0.17 -0.02 -0.03 0.00 -1.62 0.00 0.00 43.42 41.92 3k8p n LEU 614 CO 0.08 -0.07 0.92 -0.63 -1.22 0.00 0.00 177.39 176.47 3k8p s ILE 615 N -3.45 3.78 0.10 -0.08 -1.09 -0.19 -4.95 121.20 115.31 3k8p s ILE 615 Ca -0.05 1.33 -0.15 0.00 -2.23 0.00 0.00 60.65 59.55 3k8p s ILE 615 Cb 0.12 -3.85 -0.08 0.00 -1.58 0.00 0.00 42.46 37.08 3k8p s ILE 615 CO 0.86 0.13 1.44 -0.08 -1.23 0.00 0.00 174.94 176.06 3k8p h GLU 616 N 6.40 0.71 0.00 2.79 4.81 -1.91 -2.73 114.58 124.65 3k8p h GLU 616 Ca -0.42 -0.36 -0.03 0.00 -0.13 0.00 0.00 59.36 58.42 3k8p h GLU 616 Cb 1.21 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 3k8p h GLU 616 CO 0.80 0.97 -0.12 1.79 -0.73 0.00 0.00 179.01 181.72 3k8p h THR 617 N 0.46 0.42 0.06 0.32 1.35 -1.96 -1.19 112.91 112.38 3k8p h THR 617 Ca 0.05 -0.68 -0.27 0.00 -0.55 0.00 0.00 66.41 64.97 3k8p h THR 617 Cb 0.81 1.48 0.02 0.00 -1.73 0.00 0.00 68.15 68.74 3k8p h THR 617 CO 0.07 0.12 -1.08 0.22 -0.25 0.00 0.00 175.52 174.60 3k8p h TYR 618 N 0.00 0.97 -0.25 4.73 3.20 -1.85 -2.70 116.97 121.07 3k8p h TYR 618 Ca -0.00 -0.57 -0.20 0.00 3.14 0.00 0.00 58.73 61.10 3k8p h TYR 618 Cb 0.47 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.65 3k8p h TYR 618 CO 0.00 1.41 -0.62 -0.09 -1.64 0.00 0.00 178.16 177.23 3k8p h ARG 619 N 0.25 0.86 -0.11 1.82 2.43 -1.23 -2.89 114.38 115.52 3k8p h ARG 619 Ca -0.15 -0.59 -0.12 0.00 -0.81 0.00 0.00 59.98 58.31 3k8p h ARG 619 Cb 1.76 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.38 3k8p h ARG 619 CO 0.21 1.22 -0.46 0.45 -1.51 0.00 0.00 179.97 179.88 3k8p h HIS 620 N 0.64 0.33 -0.62 2.20 3.86 -1.33 -0.35 115.15 119.88 3k8p h HIS 620 Ca -0.01 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.07 3k8p h HIS 620 Cb 1.23 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.61 3k8p h HIS 620 CO 0.08 0.69 0.24 0.77 0.86 0.00 0.00 177.93 180.57 3k8p h SER 621 N 0.22 0.87 0.22 2.45 0.02 -1.38 -0.79 113.55 115.17 3k8p h SER 621 Ca 0.01 -0.18 -0.20 0.00 -0.84 0.00 0.00 61.79 60.59 3k8p h SER 621 Cb 0.90 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 3k8p h SER 621 CO 0.07 0.81 -0.78 0.03 -1.14 0.00 0.00 176.83 175.82 3k8p h ARG 622 N 0.87 0.45 -0.03 3.45 3.08 -1.30 -2.86 114.38 118.05 3k8p h ARG 622 Ca 0.21 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3k8p h ARG 622 Cb 0.22 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 3k8p h ARG 622 CO -0.02 1.03 0.02 0.93 -1.07 0.00 0.00 179.97 180.86 3k8p h GLU 623 N 0.30 0.04 -0.29 0.04 5.08 -0.84 0.08 114.58 119.00 3k8p h GLU 623 Ca -0.04 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3k8p h GLU 623 Cb 1.37 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.58 3k8p h GLU 623 CO 0.14 0.05 0.11 -0.22 -1.00 0.00 0.00 179.01 178.08 3k8p h LYS 624 N 0.02 0.23 -0.41 2.33 3.64 -1.17 0.21 116.57 121.41 3k8p h LYS 624 Ca 0.01 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3k8p h LYS 624 Cb 0.02 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.72 3k8p h LYS 624 CO -0.00 0.15 0.03 -0.07 -2.27 0.00 0.00 179.45 177.29 3k8p h LEU 625 N 0.24 -0.10 -1.29 5.20 3.38 -1.31 0.50 115.31 121.93 3k8p h LEU 625 Ca 0.13 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3k8p h LEU 625 Cb 0.08 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3k8p h LEU 625 CO -0.12 -0.02 0.13 1.23 0.09 0.00 0.00 178.44 179.75 3k8p h GLY 626 N 0.14 0.66 1.66 0.83 0.00 -0.02 0.41 103.07 106.75 3k8p h GLY 626 Ca 0.20 -0.34 -0.23 0.00 0.00 0.00 0.00 47.33 46.97 3k8p h GLY 626 CO -0.31 0.32 -1.00 -2.22 0.00 0.00 0.00 176.54 173.33 3k8p h ILE 627 N 0.61 1.47 -0.47 2.60 2.04 0.25 -2.67 117.51 121.34 3k8p h ILE 627 Ca 0.14 -2.69 -0.03 0.00 1.00 0.00 0.00 64.86 63.28 3k8p h ILE 627 Cb 0.19 2.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 3k8p h ILE 627 CO -0.01 0.79 0.15 0.25 0.00 0.00 0.00 178.15 179.33 3k8p h LEU 628 N 0.14 0.63 -0.87 1.44 5.85 0.69 -0.62 115.31 122.57 3k8p h LEU 628 Ca -0.08 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.56 3k8p h LEU 628 Cb 1.66 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.48 3k8p h LEU 628 CO 0.16 0.61 0.57 -1.28 -0.34 0.00 0.00 178.44 178.15 3k8p h SER 629 N 0.68 1.01 -0.03 1.25 0.87 -0.74 -0.48 113.55 116.12 3k8p h SER 629 Ca 0.16 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3k8p h SER 629 Cb 0.20 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 3k8p h SER 629 CO -0.01 0.74 -0.01 0.11 -0.53 0.00 0.00 176.83 177.14 3k8p h LYS 630 N 1.18 0.05 -0.41 2.24 1.57 -0.93 -3.26 116.57 117.01 3k8p h LYS 630 Ca 0.32 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.16 3k8p h LYS 630 Cb -0.12 -0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.10 3k8p h LYS 630 CO -0.07 0.42 -0.22 0.82 -0.57 0.00 0.00 179.45 179.83 3k8p h ILE 631 N -0.32 0.37 -0.56 1.86 2.04 -1.02 -2.62 117.51 117.27 3k8p h ILE 631 Ca 0.01 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.03 3k8p h ILE 631 Cb 0.40 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3k8p h ILE 631 CO 0.00 0.00 0.49 -0.07 0.00 0.00 0.00 178.15 178.57 3k8p h LEU 632 N -0.15 0.00 -2.99 1.44 3.38 -1.13 -2.43 115.31 113.43 3k8p h LEU 632 Ca 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3k8p h LEU 632 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3k8p h LEU 632 CO -0.50 0.00 -0.42 0.35 0.09 0.00 0.00 178.44 177.96 3k8p n THR 633 N -3.98 2.07 -4.34 0.22 -2.24 -1.01 -4.46 114.28 100.54 3k8p n THR 633 Ca 0.11 -2.97 -0.31 0.00 -2.27 0.00 0.00 64.05 58.60 3k8p n THR 633 Cb 0.71 -0.20 -0.10 0.00 -2.10 0.00 0.00 70.33 68.65 3k8p n THR 633 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k8p s ALA 634 N -3.06 3.08 0.65 6.98 0.00 -0.92 -5.07 121.76 123.42 3k8p s ALA 634 Ca 0.36 -1.07 -0.12 0.00 0.00 0.00 0.00 51.96 51.13 3k8p s ALA 634 Cb 0.35 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 3k8p s ALA 634 CO -0.05 0.64 1.04 -3.38 0.00 0.00 0.00 175.76 174.01 3k8p s HIS 635 N -1.10 3.30 0.36 0.00 -3.43 -1.26 -4.85 115.29 108.30 3k8p s HIS 635 Ca 0.20 1.39 0.13 0.00 -0.80 0.00 0.00 55.06 55.98 3k8p s HIS 635 Cb -0.11 -2.83 0.96 0.00 -1.43 0.00 0.00 32.58 29.17 3k8p s HIS 635 CO 0.11 -0.99 1.78 1.25 -2.00 0.00 0.00 174.74 174.90 3k8p h LEU 636 N -0.38 0.57 -0.47 5.38 5.85 -1.99 -0.78 115.31 123.49 3k8p h LEU 636 Ca -0.44 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.28 3k8p h LEU 636 Cb 1.20 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 3k8p h LEU 636 CO 0.59 0.16 -0.05 0.50 -0.34 0.00 0.00 178.44 179.30 3k8p h LYS 637 N 0.53 0.86 0.00 1.25 3.64 -2.00 -2.56 116.57 118.30 3k8p h LYS 637 Ca 0.57 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 3k8p h LYS 637 Cb 1.23 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 3k8p h LYS 637 CO -0.32 0.93 -0.18 -0.44 -2.27 0.00 0.00 179.45 177.17 3k8p h ASP 638 N 0.71 0.00 -0.39 4.20 3.32 -1.52 -1.76 116.42 120.98 3k8p h ASP 638 Ca 0.13 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.05 3k8p h ASP 638 Cb 0.57 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 3k8p h ASP 638 CO 0.03 0.18 -0.25 0.40 -1.72 0.00 0.00 179.24 177.88 3k8p h ILE 639 N 0.00 1.28 -0.44 0.35 2.04 -1.05 -3.13 117.51 116.56 3k8p h ILE 639 Ca -0.00 -1.40 -0.06 0.00 1.00 0.00 0.00 64.86 64.40 3k8p h ILE 639 Cb 0.39 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 3k8p h ILE 639 CO 0.02 0.47 0.04 0.25 0.00 0.00 0.00 178.15 178.93 3k8p h LEU 640 N 0.66 0.73 -1.48 1.44 5.85 -1.22 -1.17 115.31 120.12 3k8p h LEU 640 Ca 0.08 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3k8p h LEU 640 Cb 0.82 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3k8p h LEU 640 CO 0.07 0.84 0.00 -0.62 -0.34 0.00 0.00 178.44 178.38 3k8p n GLU 641 N -4.43 0.00 0.00 1.25 1.02 -0.70 -0.71 120.64 117.07 3k8p n GLU 641 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3k8p n GLU 641 Cb 0.27 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 3k8p n GLU 641 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3k8p n PHE 643 N 0.70 0.00 -0.33 -0.32 7.35 -0.44 -0.92 117.46 123.49 3k8p n PHE 643 Ca 0.00 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.87 3k8p n PHE 643 Cb 0.00 0.00 0.39 0.00 0.35 0.00 0.00 39.48 40.22 3k8p n PHE 643 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 3k8p h TYR 644 N 0.00 0.81 0.00 -5.13 0.05 -1.19 0.19 116.97 111.70 3k8p h TYR 644 Ca 0.00 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3k8p h TYR 644 Cb 0.00 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.54 3k8p h TYR 644 CO 0.00 -0.09 0.00 0.39 -1.05 0.00 0.00 178.16 177.41 3k8p n GLU 645 N -5.03 0.92 -0.98 4.88 1.02 -0.10 -4.88 120.64 116.47 3k8p n GLU 645 Ca 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 3k8p n GLU 645 Cb 0.81 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.23 3k8p n GLU 645 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k8p n GLY 646 N 0.42 0.68 0.29 0.62 0.00 0.68 -4.93 105.19 102.95 3k8p n GLY 646 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 3k8p n GLY 646 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3k8p h GLU 647 N 1.81 0.00 -0.78 1.61 5.08 -1.90 -0.80 114.58 119.59 3k8p h GLU 647 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3k8p h GLU 647 Cb 0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3k8p h GLU 647 CO 0.00 0.05 0.04 1.19 -1.00 0.00 0.00 179.01 179.29 3k8p n PHE 648 N -3.29 1.30 -0.36 4.33 3.72 -1.26 -4.40 117.46 117.49 3k8p n PHE 648 Ca -0.01 -0.52 0.30 0.00 -0.05 0.00 0.00 57.45 57.16 3k8p n PHE 648 Cb 0.21 -0.38 0.61 0.00 -0.94 0.00 0.00 39.48 38.98 3k8p n PHE 648 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 3k8p h PHE 649 N 2.17 0.46 -0.26 1.38 3.57 -1.51 1.00 116.94 123.74 3k8p h PHE 649 Ca 0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3k8p h PHE 649 Cb 1.46 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.07 3k8p h PHE 649 CO 0.68 -0.02 0.00 -0.11 -2.23 0.00 0.00 178.31 176.64 3k8p n LEU 650 N -4.52 1.95 -4.20 0.59 7.94 -1.26 -4.83 117.00 112.67 3k8p n LEU 650 Ca 0.29 -0.88 -0.33 0.00 -1.11 0.00 0.00 56.01 53.99 3k8p n LEU 650 Cb 1.13 -0.17 -0.16 0.00 0.53 0.00 0.00 43.42 44.74 3k8p n LEU 650 CO 0.28 0.44 -0.54 -0.36 -1.11 0.00 0.00 177.39 176.11 3k8p s PHE 651 N -1.66 2.67 0.60 1.96 0.08 0.34 -5.05 117.98 116.92 3k8p s PHE 651 Ca 0.31 -1.22 -0.19 0.00 0.12 0.00 0.00 56.93 55.94 3k8p s PHE 651 Cb 0.16 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.78 3k8p s PHE 651 CO 0.24 -0.54 1.22 -2.00 -0.10 0.00 0.00 175.22 174.04 3k8p s GLU 652 N 0.70 2.93 0.24 0.44 2.56 -1.26 -4.85 118.70 119.47 3k8p s GLU 652 Ca -0.09 1.87 -0.04 0.00 0.00 0.00 0.00 54.97 56.70 3k8p s GLU 652 Cb -0.16 -1.93 0.42 0.00 2.00 0.00 0.00 34.13 34.46 3k8p s GLU 652 CO 0.01 -1.25 1.78 1.15 -0.56 0.00 0.00 175.26 176.39 3k8p h THR 653 N 0.87 0.82 -0.86 -1.70 2.02 -1.98 -1.66 112.91 110.43 3k8p h THR 653 Ca -0.51 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 66.49 3k8p h THR 653 Cb 1.30 0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 3k8p h THR 653 CO 0.55 0.12 0.55 0.44 0.37 0.00 0.00 175.52 177.55 3k8p h ASP 654 N 0.66 0.90 -0.20 4.18 3.32 -2.00 -2.50 116.42 120.79 3k8p h ASP 654 Ca 0.40 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.40 3k8p h ASP 654 Cb 0.46 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3k8p h ASP 654 CO -0.30 0.61 -0.03 -0.08 -1.72 0.00 0.00 179.24 177.73 3k8p h GLU 655 N 1.05 0.50 -0.38 3.56 4.81 -1.68 -0.74 114.58 121.71 3k8p h GLU 655 Ca 0.35 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 3k8p h GLU 655 Cb 0.04 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3k8p h GLU 655 CO -0.13 0.55 -0.04 0.82 -0.73 0.00 0.00 179.01 179.48 3k8p h ILE 656 N 0.47 1.27 -0.62 2.32 2.04 -1.03 -1.55 117.51 120.42 3k8p h ILE 656 Ca 0.10 -1.08 -0.09 0.00 1.00 0.00 0.00 64.86 64.79 3k8p h ILE 656 Cb 0.36 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3k8p h ILE 656 CO 0.01 0.36 0.04 0.58 0.00 0.00 0.00 178.15 179.14 3k8p h VAL 657 N 0.50 1.26 -0.48 1.67 2.07 -1.25 -2.42 116.25 117.61 3k8p h VAL 657 Ca 0.10 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.53 3k8p h VAL 657 Cb 0.53 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3k8p h VAL 657 CO 0.03 0.41 0.30 1.56 0.02 0.00 0.00 177.57 179.88 3k8p h GLN 658 N 0.97 0.58 -1.01 1.57 4.20 -0.98 -0.87 115.11 119.58 3k8p h GLN 658 Ca 0.18 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.86 3k8p h GLN 658 Cb 0.52 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.11 3k8p h GLN 658 CO 0.02 0.38 0.67 -1.49 -0.67 0.00 0.00 178.83 177.75 3k8p h TRP 659 N 0.60 1.26 -0.53 2.96 4.06 -1.10 -1.53 115.95 121.68 3k8p h TRP 659 Ca 0.18 0.03 -0.12 0.00 2.06 0.00 0.00 58.89 61.04 3k8p h TRP 659 Cb -0.02 -0.43 -0.02 0.00 -1.00 0.00 0.00 29.16 27.70 3k8p h TRP 659 CO -0.06 0.80 -0.14 0.82 -3.56 0.00 0.00 178.44 176.30 3k8p h ILE 660 N 1.36 1.27 -0.24 1.49 2.04 -1.07 -1.76 117.51 120.60 3k8p h ILE 660 Ca 0.37 -1.30 -0.09 0.00 1.00 0.00 0.00 64.86 64.83 3k8p h ILE 660 Cb -0.16 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3k8p h ILE 660 CO -0.08 0.46 -0.25 0.40 0.00 0.00 0.00 178.15 178.68 3k8p h ILE 661 N 0.91 1.26 -0.07 -0.67 2.04 -0.71 -2.28 117.51 117.99 3k8p h ILE 661 Ca 0.13 -1.26 -0.15 0.00 1.00 0.00 0.00 64.86 64.59 3k8p h ILE 661 Cb 0.71 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3k8p h ILE 661 CO 0.05 0.40 -0.61 -0.07 0.00 0.00 0.00 178.15 177.92 3k8p h LEU 662 N 0.41 0.27 0.00 1.44 3.38 -1.14 -3.37 115.31 116.30 3k8p h LEU 662 Ca 0.06 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3k8p h LEU 662 Cb 0.66 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3k8p h LEU 662 CO 0.05 0.82 -1.53 0.18 0.09 0.00 0.00 178.44 178.05 3k8p n LEU 663 N -3.86 0.38 -4.03 1.67 4.77 -0.68 -1.06 117.00 114.18 3k8p n LEU 663 Ca -0.02 -0.20 -0.16 0.00 -0.03 0.00 0.00 56.01 55.59 3k8p n LEU 663 Cb 0.62 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.58 3k8p n LEU 663 CO 0.45 0.09 -0.42 -0.36 -1.33 0.00 0.00 177.39 175.82 3k8p s PHE 664 N -3.19 0.72 0.50 -1.77 0.40 -0.87 -4.85 117.98 108.92 3k8p s PHE 664 Ca -0.01 -0.27 -0.19 0.00 -0.60 0.00 0.00 56.93 55.86 3k8p s PHE 664 Cb 0.14 -0.44 -0.08 0.00 0.51 0.00 0.00 43.02 43.15 3k8p s PHE 664 CO 0.83 -0.02 1.02 0.00 0.70 0.00 0.00 175.22 177.75 3k8p s ALA 665 N -0.64 2.89 0.09 5.36 0.00 -1.26 -4.71 121.76 123.50 3k8p s ALA 665 Ca -0.01 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 52.12 3k8p s ALA 665 Cb -0.06 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 3k8p s ALA 665 CO 0.00 -0.34 1.69 0.34 0.00 0.00 0.00 175.76 177.45 3k8p s ASP 666 N -2.30 6.56 0.11 0.00 2.15 -1.26 -4.70 116.67 117.22 3k8p s ASP 666 Ca 0.65 2.57 -0.11 0.00 0.43 0.00 0.00 52.55 56.09 3k8p s ASP 666 Cb -0.14 -2.57 0.01 0.00 -0.30 0.00 0.00 42.92 39.92 3k8p s ASP 666 CO 0.24 -0.91 0.27 0.42 -0.17 0.00 0.00 175.17 175.01 3k8p s THR 667 N 2.48 0.11 0.27 1.71 -4.23 -1.26 -4.98 115.64 109.75 3k8p s THR 667 Ca 0.75 -1.02 -0.04 0.00 -1.18 0.00 0.00 61.69 60.21 3k8p s THR 667 Cb -0.42 -1.34 0.42 0.00 1.34 0.00 0.00 72.50 72.50 3k8p s THR 667 CO 0.33 -0.51 1.46 -2.65 -0.54 0.00 0.00 174.62 172.71 3k8p n PRO 668 N -0.13 -0.08 -0.24 3.99 -0.02 -1.26 -1.44 135.00 135.82 3k8p n PRO 668 Ca -0.15 1.44 -0.05 0.00 -2.02 0.00 0.00 63.50 62.73 3k8p n PRO 668 Cb 0.63 -2.20 0.06 0.00 -0.02 0.00 0.00 33.50 31.97 3k8p n PRO 668 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3k8p h THR 669 N 0.00 1.14 -0.65 3.45 2.02 -1.95 -1.15 112.91 115.76 3k8p h THR 669 Ca 0.50 -0.30 -0.07 0.00 0.77 0.00 0.00 66.41 67.30 3k8p h THR 669 Cb 0.89 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 3k8p h THR 669 CO -0.93 0.16 0.13 -0.09 0.37 0.00 0.00 175.52 175.16 3k8p h ARG 670 N 0.89 1.06 0.48 6.66 2.43 -1.52 -1.95 114.38 122.42 3k8p h ARG 670 Ca 0.26 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3k8p h ARG 670 Cb -0.05 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.36 3k8p h ARG 670 CO -0.08 0.96 -0.26 0.00 -1.51 0.00 0.00 179.97 179.08 3k8p h ARG 671 N 1.00 -0.66 -0.48 0.20 3.08 -0.79 0.41 114.38 117.13 3k8p h ARG 671 Ca 0.20 0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 3k8p h ARG 671 Cb 0.40 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3k8p h ARG 671 CO 0.01 -0.44 0.30 -0.44 -1.07 0.00 0.00 179.97 178.32 3k8p h ASP 672 N -0.69 0.57 -0.36 7.04 3.32 -1.22 0.16 116.42 125.24 3k8p h ASP 672 Ca -0.06 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 56.96 3k8p h ASP 672 Cb 0.55 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 3k8p h ASP 672 CO 0.08 0.44 0.22 0.00 -1.72 0.00 0.00 179.24 178.27 3k8p h ILE 674 N 0.46 1.17 -0.39 0.00 2.04 -0.33 -2.09 117.51 118.36 3k8p h ILE 674 Ca 0.14 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 3k8p h ILE 674 Cb -0.03 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3k8p h ILE 674 CO -0.04 0.18 0.05 0.44 0.00 0.00 0.00 178.15 178.78 3k8p h ASP 675 N 0.36 0.56 -0.26 1.72 3.32 -0.50 -2.26 116.42 119.36 3k8p h ASP 675 Ca 0.11 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3k8p h ASP 675 Cb 0.16 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3k8p h ASP 675 CO -0.01 0.59 0.06 -0.08 -1.72 0.00 0.00 179.24 178.08 3k8p h GLU 676 N 0.58 0.41 -0.63 3.56 4.81 -0.70 -1.75 114.58 120.85 3k8p h GLU 676 Ca 0.13 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3k8p h GLU 676 Cb 0.29 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 3k8p h GLU 676 CO 0.00 0.51 0.26 0.82 -0.73 0.00 0.00 179.01 179.87 3k8p h ILE 677 N 0.24 1.23 0.00 2.32 2.04 -1.17 -0.94 117.51 121.23 3k8p h ILE 677 Ca 0.08 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 65.15 3k8p h ILE 677 Cb 0.29 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 3k8p h ILE 677 CO 0.00 0.29 -0.26 0.03 0.00 0.00 0.00 178.15 178.21 3k8p h ARG 678 N 0.89 0.00 0.09 2.37 3.08 -1.30 -2.83 114.38 116.69 3k8p h ARG 678 Ca 0.21 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.06 3k8p h ARG 678 Cb 0.20 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.27 3k8p h ARG 678 CO -0.02 0.26 -0.85 -0.09 -1.07 0.00 0.00 179.97 178.21 3k8p h ARG 679 N 0.00 0.41 -0.37 0.04 2.43 -0.38 -2.35 114.38 114.16 3k8p h ARG 679 Ca -0.00 -0.57 -0.15 0.00 -0.81 0.00 0.00 59.98 58.46 3k8p h ARG 679 Cb 0.54 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 3k8p h ARG 679 CO 0.03 1.23 -0.34 0.28 -1.51 0.00 0.00 179.97 179.66 3k8p h VAL 680 N -0.14 1.28 -0.39 0.20 2.07 -1.20 -1.14 116.25 116.93 3k8p h VAL 680 Ca -0.13 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 65.85 3k8p h VAL 680 Cb 1.60 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 3k8p h VAL 680 CO 0.16 0.50 0.15 0.03 0.02 0.00 0.00 177.57 178.44 3k8p h ARG 681 N 0.69 0.55 0.05 1.57 2.47 -1.61 -1.37 114.38 116.72 3k8p h ARG 681 Ca 0.06 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3k8p h ARG 681 Cb 0.93 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.15 3k8p h ARG 681 CO 0.09 0.46 -0.02 1.49 0.56 0.00 0.00 179.97 182.54 3k8p h GLU 682 N 0.54 -0.06 -0.57 0.04 4.57 -0.88 -3.24 114.58 114.99 3k8p h GLU 682 Ca 0.13 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 3k8p h GLU 682 Cb 0.12 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 3k8p h GLU 682 CO -0.01 0.25 0.28 0.93 -1.18 0.00 0.00 179.01 179.28 3k8p h GLU 683 N -0.37 0.81 0.00 1.92 5.08 -1.00 -3.51 114.58 117.50 3k8p h GLU 683 Ca -0.01 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3k8p h GLU 683 Cb 0.34 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3k8p h GLU 683 CO 0.01 0.65 0.00 0.00 -1.00 0.00 0.00 179.01 178.67