#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r0x s THR 390 N 0.00 0.10 0.83 1.09 -1.32 -1.21 -4.94 115.64 110.19 1r0x s THR 390 Ca 0.00 -0.80 -0.12 0.00 -1.21 0.00 0.00 61.69 59.57 1r0x s THR 390 Cb 0.00 -0.43 0.11 0.00 -1.51 0.00 0.00 72.50 70.67 1r0x s THR 390 CO 0.00 -0.44 1.19 -0.83 -2.21 0.00 0.00 174.62 172.33 1r0x s GLY 391 N -1.48 1.67 -0.05 6.08 0.00 -1.26 -4.33 107.32 107.94 1r0x s GLY 391 Ca -0.14 -0.90 -0.03 0.00 0.00 0.00 0.00 44.72 43.65 1r0x s GLY 391 CO 0.00 -0.34 0.12 -1.50 0.00 0.00 0.00 173.10 171.39 1r0x s ILE 392 N -3.60 -0.03 -0.01 0.90 2.07 -0.02 -4.25 121.20 116.25 1r0x s ILE 392 Ca 0.65 0.13 0.04 0.00 -1.41 0.00 0.00 60.65 60.06 1r0x s ILE 392 Cb -0.09 -0.20 -0.01 0.00 0.13 0.00 0.00 42.46 42.29 1r0x s ILE 392 CO 0.49 0.05 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.80 1r0x s ILE 393 N 0.81 1.12 -0.10 2.00 1.01 -0.47 -0.46 121.20 125.11 1r0x s ILE 393 Ca -0.06 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.00 1r0x s ILE 393 Cb -0.08 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.47 1r0x s ILE 393 CO -0.04 0.32 -0.13 -0.04 0.00 0.00 0.00 174.94 175.05 1r0x s MET 394 N -0.31 1.95 -0.26 2.79 -1.94 0.20 -1.70 119.30 120.03 1r0x s MET 394 Ca 0.05 -0.46 -0.03 0.00 -1.71 0.00 0.00 55.69 53.54 1r0x s MET 394 Cb -0.06 -1.72 0.02 0.00 2.01 0.00 0.00 34.83 35.08 1r0x s MET 394 CO -0.00 -0.10 -0.02 -1.21 -0.01 0.00 0.00 175.02 173.68 1r0x s GLU 395 N 1.11 2.94 -1.45 2.03 2.02 0.21 -1.36 118.70 124.19 1r0x s GLU 395 Ca -0.05 -0.92 -0.01 0.00 0.02 0.00 0.00 54.97 54.01 1r0x s GLU 395 Cb -0.14 -3.10 0.01 0.00 0.10 0.00 0.00 34.13 31.00 1r0x s GLU 395 CO -0.02 -0.40 0.35 -1.71 0.02 0.00 0.00 175.26 173.50 1r0x n ASN 396 N 4.73 -0.22 -4.72 -0.19 4.05 -1.05 -0.95 115.26 116.91 1r0x n ASN 396 Ca -0.16 -1.06 -0.40 0.00 0.45 0.00 0.00 54.58 53.41 1r0x n ASN 396 Cb 0.47 -2.73 -0.04 0.00 1.23 0.00 0.00 39.78 38.71 1r0x n ASN 396 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1r0x s VAL 397 N -4.01 4.98 -0.03 3.44 1.01 -0.47 -3.66 120.40 121.67 1r0x s VAL 397 Ca 0.05 1.57 0.04 0.00 0.00 0.00 0.00 61.98 63.64 1r0x s VAL 397 Cb -0.03 -4.10 -0.00 0.00 0.00 0.00 0.00 36.38 32.25 1r0x s VAL 397 CO 0.91 0.25 -0.16 -0.89 0.00 0.00 0.00 175.10 175.22 1r0x s THR 398 N 0.73 1.29 -0.06 3.92 2.01 -0.93 -0.41 115.64 122.19 1r0x s THR 398 Ca 0.40 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.78 1r0x s THR 398 Cb -0.19 -1.10 0.01 0.00 0.01 0.00 0.00 72.50 71.23 1r0x s THR 398 CO 0.20 0.37 -0.12 0.00 -0.69 0.00 0.00 174.62 174.38 1r0x s ALA 399 N -0.03 1.23 0.23 7.40 0.00 -0.05 -1.55 121.76 128.99 1r0x s ALA 399 Ca -0.01 -0.43 -0.06 0.00 0.00 0.00 0.00 51.96 51.45 1r0x s ALA 399 Cb -0.10 -0.52 -0.06 0.00 0.00 0.00 0.00 23.12 22.44 1r0x s ALA 399 CO 0.01 0.14 0.51 -0.06 0.00 0.00 0.00 175.76 176.36 1r0x s PHE 400 N 0.53 3.46 0.15 0.00 0.08 -1.26 -0.25 117.98 120.69 1r0x s PHE 400 Ca -0.12 0.70 -0.31 0.00 0.12 0.00 0.00 56.93 57.31 1r0x s PHE 400 Cb -0.14 -2.13 -0.11 0.00 -0.57 0.00 0.00 43.02 40.06 1r0x s PHE 400 CO 0.03 0.27 1.80 0.91 -0.10 0.00 0.00 175.22 178.13 1r0x n TRP 401 N -0.42 2.67 -4.21 0.36 7.02 -0.01 -4.69 117.44 118.17 1r0x n TRP 401 Ca -0.01 -0.09 -0.17 0.00 -1.02 0.00 0.00 57.50 56.21 1r0x n TRP 401 Cb 0.53 -2.71 -0.11 0.00 -2.42 0.00 0.00 31.31 26.59 1r0x n TRP 401 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1r0x s GLU 402 N 2.21 0.92 0.07 -0.99 0.41 -1.26 -4.57 118.70 115.50 1r0x s GLU 402 Ca 0.80 -1.14 -0.36 0.00 -0.41 0.00 0.00 54.97 53.85 1r0x s GLU 402 Cb -0.49 -0.80 -0.18 0.00 -1.78 0.00 0.00 34.13 30.88 1r0x s GLU 402 CO 0.36 0.16 1.08 -1.91 -0.49 0.00 0.00 175.26 174.45 1r0x n GLU 403 N 0.76 0.47 0.00 1.61 2.13 -1.26 -2.03 120.64 122.32 1r0x n GLU 403 Ca -0.17 0.17 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1r0x n GLU 403 Cb 0.56 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.63 1r0x n GLU 403 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r0x n GLY 404 N 1.88 3.05 0.30 8.31 0.00 -1.26 -4.88 105.19 112.59 1r0x n GLY 404 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 1r0x n GLY 404 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1r0x h PHE 405 N 0.00 1.14 -0.80 1.61 3.04 -1.78 -1.33 116.94 118.81 1r0x h PHE 405 Ca 0.00 -0.20 -0.03 0.00 3.98 0.00 0.00 57.97 61.72 1r0x h PHE 405 Cb 0.00 -0.30 -0.04 0.00 2.56 0.00 0.00 35.95 38.18 1r0x h PHE 405 CO 0.00 1.01 0.38 0.78 -2.02 0.00 0.00 178.31 178.46 1r0x h GLY 406 N 0.94 1.24 1.01 2.40 0.00 -1.90 -1.35 103.07 105.42 1r0x h GLY 406 Ca 0.17 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.76 1r0x h GLY 406 CO 0.03 0.59 -0.19 1.05 0.00 0.00 0.00 176.54 178.02 1r0x h GLU 407 N 1.15 0.81 -0.29 4.80 9.09 -1.77 -2.75 114.58 125.61 1r0x h GLU 407 Ca 0.28 -0.36 0.02 0.00 0.05 0.00 0.00 59.36 59.35 1r0x h GLU 407 Cb 0.13 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.18 1r0x h GLU 407 CO -0.03 0.98 0.14 1.25 0.05 0.00 0.00 179.01 181.40 1r0x h LEU 408 N 0.61 0.20 -1.77 3.06 7.12 -1.04 -2.30 115.31 121.20 1r0x h LEU 408 Ca 0.09 0.02 0.17 0.00 0.13 0.00 0.00 57.88 58.28 1r0x h LEU 408 Cb 0.74 -0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 40.81 1r0x h LEU 408 CO 0.06 0.15 0.49 -0.07 -0.13 0.00 0.00 178.44 178.95 1r0x h LEU 409 N 0.30 0.21 -1.00 2.25 3.38 -1.08 -2.35 115.31 117.01 1r0x h LEU 409 Ca 0.12 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1r0x h LEU 409 Cb 0.05 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1r0x h LEU 409 CO -0.09 0.10 0.00 -0.62 0.09 0.00 0.00 178.44 177.92 1r0x n GLU 410 N -4.42 0.52 0.00 1.13 1.02 -0.86 -5.11 120.64 112.91 1r0x n GLU 410 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1r0x n GLU 410 Cb 0.64 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 1r0x n GLU 410 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1r0x n LYS 411 N 0.24 0.00 -1.67 3.49 5.02 -0.89 -5.11 118.16 119.24 1r0x n LYS 411 Ca 0.00 -0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.77 1r0x n LYS 411 Cb 0.13 -0.35 -0.03 0.00 -0.02 0.00 0.00 35.03 34.76 1r0x n LYS 411 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1r0x s SER 429 N 0.00 5.40 0.18 4.39 0.15 -1.26 -4.78 113.70 117.77 1r0x s SER 429 Ca 0.00 1.68 -0.11 0.00 0.70 0.00 0.00 55.95 58.22 1r0x s SER 429 Cb 0.00 -2.51 0.07 0.00 -1.71 0.00 0.00 66.02 61.87 1r0x s SER 429 CO 0.00 -2.04 1.69 -0.26 1.20 0.00 0.00 173.24 173.83 1r0x h PHE 430 N 15.26 1.03 -0.86 3.44 0.04 -2.00 -2.43 116.94 131.42 1r0x h PHE 430 Ca -0.38 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.27 1r0x h PHE 430 Cb 1.23 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 39.05 1r0x h PHE 430 CO 0.95 0.87 0.56 0.77 -0.60 0.00 0.00 178.31 180.85 1r0x h SER 431 N 0.90 1.01 -0.64 2.17 0.02 -1.98 -1.08 113.55 113.94 1r0x h SER 431 Ca 0.19 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 1r0x h SER 431 Cb 0.36 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 1r0x h SER 431 CO 0.00 0.74 0.18 0.45 -1.14 0.00 0.00 176.83 177.06 1r0x h HIS 432 N 1.17 1.05 -0.58 3.45 3.86 -1.94 0.19 115.15 122.36 1r0x h HIS 432 Ca 0.31 -0.12 -0.06 0.00 -1.16 0.00 0.00 60.37 59.35 1r0x h HIS 432 Cb -0.11 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.04 1r0x h HIS 432 CO -0.01 0.87 0.12 -0.07 0.86 0.00 0.00 177.93 179.70 1r0x h LEU 433 N 0.93 0.86 -0.33 2.43 3.38 -1.12 -1.79 115.31 119.67 1r0x h LEU 433 Ca 0.20 -0.17 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 1r0x h LEU 433 Cb 0.33 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1r0x h LEU 433 CO -0.00 0.85 -0.71 0.00 0.09 0.00 0.00 178.44 178.67 1r0x h LEU 435 N 0.41 0.46 0.00 0.00 5.85 -0.40 -3.10 115.31 118.53 1r0x h LEU 435 Ca -0.03 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1r0x h LEU 435 Cb 1.30 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1r0x h LEU 435 CO 0.13 0.81 0.00 0.52 -0.34 0.00 0.00 178.44 179.56 1r0x n VAL 436 N -4.52 0.52 -2.24 1.05 0.31 -0.69 -4.93 118.33 107.83 1r0x n VAL 436 Ca -0.05 0.13 -0.02 0.00 -0.01 0.00 0.00 64.34 64.39 1r0x n VAL 436 Cb 0.36 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 1r0x n VAL 436 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1r0x n GLY 437 N 0.68 0.49 3.78 2.92 0.00 -1.13 -5.04 105.19 106.88 1r0x n GLY 437 Ca 0.06 -0.73 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 1r0x n GLY 437 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r0x s ASN 438 N -2.96 7.24 0.19 1.61 0.01 -1.05 -4.89 114.94 115.09 1r0x s ASN 438 Ca 0.02 1.47 -0.30 0.00 -0.71 0.00 0.00 52.86 53.34 1r0x s ASN 438 Cb -0.01 -2.45 -0.08 0.00 0.41 0.00 0.00 41.25 39.13 1r0x s ASN 438 CO 0.02 0.18 1.10 -2.16 -1.51 0.00 0.00 177.10 174.73 1r0x s PRO 439 N -0.83 4.60 0.08 -0.60 0.04 -1.26 -0.83 135.00 136.19 1r0x s PRO 439 Ca 0.34 1.73 0.05 0.00 0.04 0.00 0.00 61.00 63.16 1r0x s PRO 439 Cb -0.21 -3.27 -0.23 0.00 0.04 0.00 0.00 34.50 30.83 1r0x s PRO 439 CO 0.23 0.09 1.12 -0.24 0.04 0.00 0.00 177.00 178.24 1r0x h VAL 440 N 3.65 1.50 -3.74 -0.36 3.04 -0.89 -3.45 116.25 115.99 1r0x h VAL 440 Ca -0.45 -3.19 -0.25 0.00 -1.01 0.00 0.00 66.70 61.80 1r0x h VAL 440 Cb 1.21 2.80 -0.29 0.00 -2.01 0.00 0.00 31.29 33.00 1r0x h VAL 440 CO 0.72 0.88 -0.73 -0.76 -1.01 0.00 0.00 177.57 176.67 1r0x s LEU 441 N -6.73 1.92 -0.02 3.16 1.43 -1.10 -4.31 118.68 113.03 1r0x s LEU 441 Ca -0.02 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1r0x s LEU 441 Cb 0.09 -0.05 0.01 0.00 0.03 0.00 0.00 46.19 46.27 1r0x s LEU 441 CO 0.84 -0.00 -0.04 -0.75 0.23 0.00 0.00 176.35 176.62 1r0x s LYS 442 N 0.08 0.52 -1.32 1.70 2.20 0.04 -0.87 119.74 122.08 1r0x s LYS 442 Ca -0.01 -0.11 -0.06 0.00 -0.36 0.00 0.00 55.97 55.43 1r0x s LYS 442 Cb -0.01 -0.55 -0.00 0.00 -1.51 0.00 0.00 37.83 35.75 1r0x s LYS 442 CO -0.00 0.01 0.54 0.09 -0.36 0.00 0.00 175.35 175.62 1r0x n ASN 443 N 3.52 -1.74 -4.73 1.43 3.02 -0.59 -4.32 115.26 111.84 1r0x n ASN 443 Ca -0.20 -1.01 -0.38 0.00 -0.03 0.00 0.00 54.58 52.96 1r0x n ASN 443 Cb 0.54 -3.16 -0.06 0.00 -0.61 0.00 0.00 39.78 36.50 1r0x n ASN 443 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1r0x s ILE 444 N -3.80 5.14 -0.04 2.41 -1.09 0.45 -4.70 121.20 119.57 1r0x s ILE 444 Ca 0.14 1.05 0.02 0.00 -2.23 0.00 0.00 60.65 59.63 1r0x s ILE 444 Cb -0.05 -3.86 0.02 0.00 -1.58 0.00 0.00 42.46 36.98 1r0x s ILE 444 CO 0.88 0.33 -0.07 0.20 -1.23 0.00 0.00 174.94 175.05 1r0x s ASN 445 N 0.55 1.11 0.11 3.58 0.01 -1.26 -1.36 114.94 117.68 1r0x s ASN 445 Ca 0.28 -0.17 -0.23 0.00 -0.71 0.00 0.00 52.86 52.03 1r0x s ASN 445 Cb -0.16 -0.47 0.06 0.00 0.41 0.00 0.00 41.25 41.09 1r0x s ASN 445 CO 0.12 -0.01 0.57 -1.48 -1.51 0.00 0.00 177.10 174.79 1r0x s LEU 446 N 0.67 -0.35 -0.26 0.60 0.05 -0.46 -4.93 118.68 114.00 1r0x s LEU 446 Ca -0.10 0.08 -0.02 0.00 0.05 0.00 0.00 54.13 54.15 1r0x s LEU 446 Cb -0.13 2.39 0.13 0.00 -2.05 0.00 0.00 46.19 46.53 1r0x s LEU 446 CO 0.01 -0.86 0.32 0.21 -0.55 0.00 0.00 176.35 175.49 1r0x s ASN 447 N -2.40 0.94 -0.19 1.48 3.04 -1.26 0.61 114.94 117.16 1r0x s ASN 447 Ca -0.02 -0.26 -0.00 0.00 0.04 0.00 0.00 52.86 52.62 1r0x s ASN 447 Cb -0.00 0.77 0.02 0.00 -1.54 0.00 0.00 41.25 40.50 1r0x s ASN 447 CO -0.08 -0.34 -0.16 -0.63 -3.04 0.00 0.00 177.10 172.86 1r0x s ILE 448 N 2.44 2.38 0.70 -5.21 -1.09 0.40 -5.01 121.20 115.81 1r0x s ILE 448 Ca 0.10 -0.87 -0.11 0.00 -2.23 0.00 0.00 60.65 57.54 1r0x s ILE 448 Cb -0.15 -2.05 0.01 0.00 -1.58 0.00 0.00 42.46 38.70 1r0x s ILE 448 CO -0.23 0.48 1.06 -1.61 -1.23 0.00 0.00 174.94 173.42 1r0x s GLU 449 N 1.33 2.93 0.08 2.79 2.02 -1.26 -0.84 118.70 125.74 1r0x s GLU 449 Ca 0.05 0.85 -0.37 0.00 0.02 0.00 0.00 54.97 55.52 1r0x s GLU 449 Cb -0.14 -2.00 -0.17 0.00 0.10 0.00 0.00 34.13 31.92 1r0x s GLU 449 CO -0.10 -1.08 1.20 1.63 0.02 0.00 0.00 175.26 176.93 1r0x n LYS 450 N -3.10 0.78 -0.20 1.61 5.02 -1.26 -1.72 118.16 119.29 1r0x n LYS 450 Ca 0.07 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1r0x n LYS 450 Cb 0.54 -1.83 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1r0x n LYS 450 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r0x n GLY 451 N 2.12 2.42 3.89 0.72 0.00 -1.26 -4.89 105.19 108.19 1r0x n GLY 451 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1r0x n GLY 451 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r0x s GLU 452 N -0.01 2.96 -0.14 1.61 2.02 -0.70 -4.34 118.70 120.09 1r0x s GLU 452 Ca 0.00 0.42 0.01 0.00 0.02 0.00 0.00 54.97 55.43 1r0x s GLU 452 Cb 0.00 -2.07 0.00 0.00 0.10 0.00 0.00 34.13 32.16 1r0x s GLU 452 CO 0.00 -0.93 -0.18 1.41 0.02 0.00 0.00 175.26 175.59 1r0x s MET 453 N -5.28 3.16 -0.24 1.61 -2.45 -1.26 -1.80 119.30 113.04 1r0x s MET 453 Ca 0.57 -0.79 -0.10 0.00 -1.25 0.00 0.00 55.69 54.12 1r0x s MET 453 Cb -0.11 -2.54 -0.05 0.00 1.25 0.00 0.00 34.83 33.39 1r0x s MET 453 CO 0.51 0.05 0.15 -1.17 1.05 0.00 0.00 175.02 175.61 1r0x s LEU 454 N 0.71 4.05 -0.23 4.11 0.20 -0.54 -0.62 118.68 126.36 1r0x s LEU 454 Ca -0.08 0.07 -0.14 0.00 0.69 0.00 0.00 54.13 54.67 1r0x s LEU 454 Cb -0.16 -2.09 -0.04 0.00 -0.43 0.00 0.00 46.19 43.47 1r0x s LEU 454 CO 0.01 0.05 0.34 0.00 -0.29 0.00 0.00 176.35 176.46 1r0x s ALA 455 N 1.16 3.57 -0.22 5.97 0.00 -0.16 -0.98 121.76 131.10 1r0x s ALA 455 Ca 0.07 -0.69 -0.07 0.00 0.00 0.00 0.00 51.96 51.26 1r0x s ALA 455 Cb -0.14 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1r0x s ALA 455 CO 0.05 -0.38 0.07 0.42 0.00 0.00 0.00 175.76 175.92 1r0x s ILE 456 N 1.48 4.56 0.24 0.00 1.01 0.16 -0.68 121.20 127.96 1r0x s ILE 456 Ca 0.15 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.73 1r0x s ILE 456 Cb -0.15 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.21 1r0x s ILE 456 CO 0.08 0.38 0.09 1.07 0.00 0.00 0.00 174.94 176.57 1r0x n THR 457 N 4.35 0.00 -3.56 2.92 5.66 0.60 -0.40 114.28 123.85 1r0x n THR 457 Ca -0.16 -1.41 0.00 0.00 -3.05 0.00 0.00 64.05 59.43 1r0x n THR 457 Cb 0.52 0.53 0.00 0.00 -1.55 0.00 0.00 70.33 69.82 1r0x n THR 457 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1r0x n GLY 458 N 0.39 -0.85 3.94 1.09 0.00 -1.26 -1.03 105.19 107.48 1r0x n GLY 458 Ca -0.03 -1.27 -0.24 0.00 0.00 0.00 0.00 46.02 44.48 1r0x n GLY 458 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r0x s SER 459 N -4.00 5.28 0.42 1.61 1.04 -1.04 -4.65 113.70 112.35 1r0x s SER 459 Ca 0.00 0.35 -0.25 0.00 0.48 0.00 0.00 55.95 56.53 1r0x s SER 459 Cb 0.00 -1.24 -0.08 0.00 0.10 0.00 0.00 66.02 64.80 1r0x s SER 459 CO 0.00 -1.21 1.24 0.42 0.98 0.00 0.00 173.24 174.67 1r0x s THR 460 N -2.94 2.85 -1.80 2.02 -4.23 -1.26 -2.21 115.64 108.07 1r0x s THR 460 Ca 0.56 0.72 0.00 0.00 -1.18 0.00 0.00 61.69 61.79 1r0x s THR 460 Cb -0.10 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.33 1r0x s THR 460 CO 0.42 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 175.18 1r0x n GLY 461 N 0.64 0.91 0.00 3.99 0.00 -1.26 -4.89 105.19 104.58 1r0x n GLY 461 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 1r0x n GLY 461 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r0x n SER 462 N -1.40 0.00 0.00 1.61 3.41 -0.94 -4.73 113.62 111.57 1r0x n SER 462 Ca -0.20 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1r0x n SER 462 Cb 0.62 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1r0x n SER 462 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r0x n GLY 463 N 0.38 1.18 0.10 5.00 0.00 -1.26 -0.62 105.19 109.96 1r0x n GLY 463 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 1r0x n GLY 463 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r0x h LYS 464 N 1.83 -0.14 -0.55 1.61 1.57 -1.91 -1.06 116.57 117.92 1r0x h LYS 464 Ca 0.00 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1r0x h LYS 464 Cb 0.00 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1r0x h LYS 464 CO 0.00 0.01 -0.04 1.15 -0.57 0.00 0.00 179.45 179.99 1r0x h THR 465 N -0.26 1.27 -0.86 -0.16 2.02 -2.00 -2.48 112.91 110.43 1r0x h THR 465 Ca -0.01 -1.18 0.13 0.00 0.77 0.00 0.00 66.41 66.11 1r0x h THR 465 Cb 0.21 0.91 -0.07 0.00 -1.74 0.00 0.00 68.15 67.47 1r0x h THR 465 CO 0.02 0.42 0.56 0.28 0.37 0.00 0.00 175.52 177.18 1r0x h SER 466 N 0.89 0.67 -0.64 4.18 0.02 -1.94 -0.47 113.55 116.26 1r0x h SER 466 Ca 0.15 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 1r0x h SER 466 Cb 0.60 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 1r0x h SER 466 CO 0.04 0.36 0.17 0.25 -1.14 0.00 0.00 176.83 176.50 1r0x h LEU 467 N 0.72 0.96 -0.76 5.07 5.85 -0.73 -0.63 115.31 125.79 1r0x h LEU 467 Ca 0.42 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1r0x h LEU 467 Cb 0.62 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1r0x h LEU 467 CO -0.18 0.93 0.46 -0.07 -0.34 0.00 0.00 178.44 179.24 1r0x h LEU 468 N 0.94 0.92 -1.41 2.25 4.07 -1.12 -2.37 115.31 118.59 1r0x h LEU 468 Ca 0.20 -0.07 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 1r0x h LEU 468 Cb 0.34 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.82 1r0x h LEU 468 CO -0.00 0.71 0.35 0.24 -1.08 0.00 0.00 178.44 178.66 1r0x h MET 469 N 1.04 0.74 0.14 1.13 2.86 -0.78 -0.26 114.93 119.80 1r0x h MET 469 Ca 0.27 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1r0x h MET 469 Cb -0.03 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.47 1r0x h MET 469 CO -0.05 0.51 -0.07 1.25 1.06 0.00 0.00 176.91 179.61 1r0x h LEU 470 N 0.76 -0.16 -1.09 1.22 5.85 -0.63 -0.30 115.31 120.96 1r0x h LEU 470 Ca 0.20 -0.00 0.14 0.00 0.84 0.00 0.00 57.88 59.06 1r0x h LEU 470 Cb -0.05 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 40.94 1r0x h LEU 470 CO -0.04 -0.11 0.61 0.40 -0.34 0.00 0.00 178.44 178.97 1r0x h ILE 471 N -0.20 0.86 0.00 4.05 2.04 -1.03 -0.68 117.51 122.55 1r0x h ILE 471 Ca -0.02 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1r0x h ILE 471 Cb 0.16 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 1r0x h ILE 471 CO 0.03 0.16 0.00 0.18 0.00 0.00 0.00 178.15 178.52 1r0x n LEU 472 N -4.62 0.00 0.00 1.44 4.77 -0.15 -4.91 117.00 113.53 1r0x n LEU 472 Ca 0.19 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1r0x n LEU 472 Cb 0.43 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1r0x n LEU 472 CO 0.27 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1r0x n GLY 473 N 1.14 0.60 0.01 -0.72 0.00 -0.26 -4.90 105.19 101.07 1r0x n GLY 473 Ca 0.07 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.02 1r0x n GLY 473 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r0x n GLU 474 N -2.76 0.04 -4.12 1.61 -0.58 -0.42 -4.72 120.64 109.70 1r0x n GLU 474 Ca 0.00 -0.03 -0.25 0.00 -0.42 0.00 0.00 57.16 56.46 1r0x n GLU 474 Cb 0.00 -1.50 -0.17 0.00 -0.57 0.00 0.00 31.44 29.20 1r0x n GLU 474 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1r0x s LEU 475 N -2.98 1.28 0.10 -4.62 2.96 -1.16 -4.94 118.68 109.32 1r0x s LEU 475 Ca 0.11 -0.26 -0.30 0.00 -0.22 0.00 0.00 54.13 53.45 1r0x s LEU 475 Cb 0.17 -0.75 -0.06 0.00 0.50 0.00 0.00 46.19 46.05 1r0x s LEU 475 CO 0.74 -0.08 1.13 -1.83 -1.32 0.00 0.00 176.35 174.99 1r0x s GLU 476 N 1.34 4.51 -0.59 1.98 1.03 -1.26 -4.38 118.70 121.33 1r0x s GLU 476 Ca -0.02 1.70 -0.28 0.00 0.03 0.00 0.00 54.97 56.40 1r0x s GLU 476 Cb -0.14 -3.34 0.01 0.00 -0.80 0.00 0.00 34.13 29.87 1r0x s GLU 476 CO -0.04 -0.11 1.43 0.00 -1.33 0.00 0.00 175.26 175.22 1r0x s ALA 477 N 0.57 2.76 0.19 -0.84 0.00 -1.26 -4.39 121.76 118.79 1r0x s ALA 477 Ca 0.54 -0.76 0.17 0.00 0.00 0.00 0.00 51.96 51.90 1r0x s ALA 477 Cb -0.28 -4.14 0.58 0.00 0.00 0.00 0.00 23.12 19.28 1r0x s ALA 477 CO 0.31 -3.04 1.70 0.77 0.00 0.00 0.00 175.76 175.49 1r0x h SER 478 N 11.19 0.00 -4.89 0.00 0.02 -1.68 -3.45 113.55 114.74 1r0x h SER 478 Ca -0.27 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.49 1r0x h SER 478 Cb 1.09 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.46 1r0x h SER 478 CO 1.19 0.44 -0.70 -1.61 -1.14 0.00 0.00 176.83 175.01 1r0x s GLU 479 N -3.59 0.60 1.77 3.45 2.02 -0.60 -4.98 118.70 117.37 1r0x s GLU 479 Ca -0.00 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 53.96 1r0x s GLU 479 Cb 0.11 -0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.30 1r0x s GLU 479 CO 0.71 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 176.36 1r0x n GLY 480 N 0.66 -1.64 2.91 -1.39 0.00 -1.24 -2.19 105.19 102.30 1r0x n GLY 480 Ca -0.17 -1.34 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 1r0x n GLY 480 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1r0x s ILE 481 N 0.00 -0.04 -0.16 -0.61 1.10 -0.13 -4.92 121.20 116.45 1r0x s ILE 481 Ca 0.00 0.13 -0.02 0.00 -0.51 0.00 0.00 60.65 60.26 1r0x s ILE 481 Cb 0.00 -0.18 -0.01 0.00 0.15 0.00 0.00 42.46 42.41 1r0x s ILE 481 CO 0.00 0.05 -0.10 -0.51 -2.11 0.00 0.00 174.94 172.28 1r0x s ILE 482 N 0.83 3.20 -0.12 2.00 -1.16 -1.26 -0.62 121.20 124.07 1r0x s ILE 482 Ca -0.06 -0.59 0.03 0.00 -0.51 0.00 0.00 60.65 59.52 1r0x s ILE 482 Cb -0.09 -2.38 0.00 0.00 0.61 0.00 0.00 42.46 40.61 1r0x s ILE 482 CO -0.04 0.49 -0.23 -0.54 -2.81 0.00 0.00 174.94 171.82 1r0x s LYS 483 N 0.68 3.02 0.16 3.50 1.02 -0.69 -4.99 119.74 122.44 1r0x s LYS 483 Ca -0.05 -0.86 -0.19 0.00 0.02 0.00 0.00 55.97 54.89 1r0x s LYS 483 Cb -0.15 -2.34 0.05 0.00 -0.52 0.00 0.00 37.83 34.86 1r0x s LYS 483 CO 0.02 0.09 0.51 -3.38 -0.92 0.00 0.00 175.35 171.68 1r0x s HIS 484 N 0.55 -0.32 -0.01 3.18 -3.43 -1.26 -1.37 115.29 112.63 1r0x s HIS 484 Ca -0.14 0.03 0.08 0.00 -0.80 0.00 0.00 55.06 54.23 1r0x s HIS 484 Cb -0.17 0.42 -0.02 0.00 -1.43 0.00 0.00 32.58 31.38 1r0x s HIS 484 CO 0.04 -0.82 -0.26 -1.12 -2.00 0.00 0.00 174.74 170.59 1r0x s SER 485 N -2.80 3.00 0.88 7.38 0.01 -1.26 -5.07 113.70 115.83 1r0x s SER 485 Ca 0.04 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.82 1r0x s SER 485 Cb -0.00 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.90 1r0x s SER 485 CO -0.10 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.46 1r0x n GLY 486 N 2.36 1.24 3.72 3.44 0.00 -1.26 -4.63 105.19 110.06 1r0x n GLY 486 Ca -0.16 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.86 1r0x n GLY 486 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1r0x s ARG 487 N 0.00 4.33 -0.10 1.61 1.70 -1.26 -4.94 118.95 120.29 1r0x s ARG 487 Ca 0.00 0.41 -0.01 0.00 -0.47 0.00 0.00 55.73 55.66 1r0x s ARG 487 Cb 0.00 -3.44 -0.03 0.00 -0.57 0.00 0.00 34.95 30.91 1r0x s ARG 487 CO 0.00 0.15 -0.07 0.54 -1.08 0.00 0.00 175.30 174.85 1r0x s VAL 488 N 0.65 3.70 -0.15 4.99 0.11 -1.26 -1.28 120.40 127.16 1r0x s VAL 488 Ca 0.25 -0.46 -0.03 0.00 -2.93 0.00 0.00 61.98 58.81 1r0x s VAL 488 Cb -0.15 -2.55 -0.02 0.00 -1.53 0.00 0.00 36.38 32.13 1r0x s VAL 488 CO 0.10 0.56 -0.06 -0.55 -3.33 0.00 0.00 175.10 171.82 1r0x s SER 489 N -0.36 4.60 -0.13 3.54 0.15 0.28 -4.99 113.70 116.79 1r0x s SER 489 Ca 0.05 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.54 1r0x s SER 489 Cb -0.12 -1.74 0.02 0.00 -1.71 0.00 0.00 66.02 62.46 1r0x s SER 489 CO 0.02 0.17 -0.16 0.12 1.20 0.00 0.00 173.24 174.59 1r0x s PHE 490 N 0.36 2.19 -0.35 3.44 5.36 -1.26 0.90 117.98 128.62 1r0x s PHE 490 Ca -0.06 -1.13 -0.05 0.00 -0.96 0.00 0.00 56.93 54.74 1r0x s PHE 490 Cb -0.15 -1.57 0.06 0.00 -0.34 0.00 0.00 43.02 41.02 1r0x s PHE 490 CO 0.04 -0.58 0.11 0.00 -1.46 0.00 0.00 175.22 173.32 1r0x s SER 492 N 1.52 6.00 0.27 0.00 1.04 -1.26 -1.05 113.70 120.22 1r0x s SER 492 Ca -0.00 1.71 -0.01 0.00 0.48 0.00 0.00 55.95 58.13 1r0x s SER 492 Cb -0.21 -2.52 0.50 0.00 0.10 0.00 0.00 66.02 63.90 1r0x s SER 492 CO 0.00 -1.02 1.82 -0.61 0.98 0.00 0.00 173.24 174.41 1r0x h GLN 493 N 0.43 0.86 -5.73 4.02 4.15 -1.89 -3.37 115.11 113.58 1r0x h GLN 493 Ca -0.46 -0.05 -0.60 0.00 0.77 0.00 0.00 58.65 58.30 1r0x h GLN 493 Cb 1.21 -0.19 -0.10 0.00 0.21 0.00 0.00 27.48 28.61 1r0x h GLN 493 CO 0.59 0.57 0.39 0.12 -1.93 0.00 0.00 178.83 178.56 1r0x s PHE 494 N -5.98 3.27 -0.36 3.99 5.36 -1.26 -4.93 117.98 118.07 1r0x s PHE 494 Ca -0.12 0.98 -0.29 0.00 -0.96 0.00 0.00 56.93 56.54 1r0x s PHE 494 Cb 0.21 -3.05 0.01 0.00 -0.34 0.00 0.00 43.02 39.85 1r0x s PHE 494 CO 0.80 -0.43 1.24 -1.12 -1.46 0.00 0.00 175.22 174.25 1r0x s SER 495 N 1.44 6.66 -0.00 6.13 0.01 -1.26 -5.02 113.70 121.66 1r0x s SER 495 Ca 0.32 0.96 -0.02 0.00 1.31 0.00 0.00 55.95 58.52 1r0x s SER 495 Cb -0.15 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 1r0x s SER 495 CO 0.09 -1.13 0.18 -1.66 0.41 0.00 0.00 173.24 171.12 1r0x s TRP 496 N 4.42 3.52 -0.08 2.43 1.48 -1.26 -4.98 118.94 124.46 1r0x s TRP 496 Ca 0.53 0.33 0.01 0.00 -1.06 0.00 0.00 56.10 55.91 1r0x s TRP 496 Cb -0.13 -1.81 0.02 0.00 -1.16 0.00 0.00 33.47 30.39 1r0x s TRP 496 CO 0.25 0.63 -0.07 0.42 -4.06 0.00 0.00 176.95 174.12 1r0x s ILE 497 N -1.33 0.87 0.20 0.66 -1.09 -1.26 -4.79 121.20 114.46 1r0x s ILE 497 Ca 0.28 -0.25 -0.09 0.00 -2.23 0.00 0.00 60.65 58.35 1r0x s ILE 497 Cb -0.13 -0.88 -0.07 0.00 -1.58 0.00 0.00 42.46 39.81 1r0x s ILE 497 CO 0.19 0.32 0.52 -0.04 -1.23 0.00 0.00 174.94 174.70 1r0x s MET 498 N 1.29 3.79 0.34 2.79 -1.94 -1.26 -0.56 119.30 123.75 1r0x s MET 498 Ca -0.04 0.24 -0.29 0.00 -1.71 0.00 0.00 55.69 53.90 1r0x s MET 498 Cb -0.14 -2.71 -0.11 0.00 2.01 0.00 0.00 34.83 33.88 1r0x s MET 498 CO -0.03 0.36 1.54 -2.14 -0.01 0.00 0.00 175.02 174.75 1r0x s PRO 499 N -2.68 4.11 0.00 2.03 0.02 -1.26 -4.69 135.00 132.53 1r0x s PRO 499 Ca 0.45 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.06 1r0x s PRO 499 Cb -0.12 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.41 1r0x s PRO 499 CO 0.21 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.70 1r0x n GLY 500 N 1.24 0.18 3.91 0.52 0.00 -1.07 -4.97 105.19 105.00 1r0x n GLY 500 Ca 0.04 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 1r0x n GLY 500 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r0x s THR 501 N -1.33 2.00 0.09 2.61 -4.23 -1.26 -0.01 115.64 113.51 1r0x s THR 501 Ca 0.00 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.28 1r0x s THR 501 Cb 0.00 -2.99 -0.15 0.00 1.34 0.00 0.00 72.50 70.70 1r0x s THR 501 CO 0.00 0.00 1.74 0.40 -0.54 0.00 0.00 174.62 176.22 1r0x h ILE 502 N -1.37 1.00 -0.51 2.99 2.04 -1.19 -1.74 117.51 118.74 1r0x h ILE 502 Ca -0.45 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 65.48 1r0x h ILE 502 Cb 1.28 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 38.30 1r0x h ILE 502 CO 0.52 0.00 0.15 0.50 0.00 0.00 0.00 178.15 179.32 1r0x h LYS 503 N -0.01 0.30 -0.38 2.37 3.64 -1.57 -2.10 116.57 118.83 1r0x h LYS 503 Ca -0.00 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1r0x h LYS 503 Cb 0.01 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1r0x h LYS 503 CO 0.00 0.20 0.16 0.93 -2.27 0.00 0.00 179.45 178.46 1r0x h GLU 504 N 0.30 0.53 -0.60 1.90 5.08 -1.79 0.13 114.58 120.12 1r0x h GLU 504 Ca 0.25 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1r0x h GLU 504 Cb 0.30 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1r0x h GLU 504 CO -0.29 0.43 0.02 -0.91 -1.00 0.00 0.00 179.01 177.27 1r0x h ASN 505 N 0.53 1.02 -0.07 1.42 2.35 -0.73 0.39 115.58 120.49 1r0x h ASN 505 Ca 0.13 -0.30 -0.21 0.00 -0.55 0.00 0.00 56.30 55.38 1r0x h ASN 505 Cb 0.10 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.20 1r0x h ASN 505 CO -0.01 1.06 -0.72 0.40 -1.65 0.00 0.00 177.43 176.51 1r0x h ILE 506 N 0.94 1.30 0.00 2.81 2.04 -0.72 -3.27 117.51 120.61 1r0x h ILE 506 Ca 0.17 -1.96 -0.13 0.00 1.00 0.00 0.00 64.86 63.95 1r0x h ILE 506 Cb 0.53 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 1r0x h ILE 506 CO 0.03 0.62 -0.77 0.40 0.00 0.00 0.00 178.15 178.42 1r0x h ILE 507 N 0.50 0.85 -0.68 -0.67 1.08 -1.02 -3.38 117.51 114.19 1r0x h ILE 507 Ca -0.03 -2.27 -0.56 0.00 -0.39 0.00 0.00 64.86 61.60 1r0x h ILE 507 Cb 1.33 2.37 0.02 0.00 -3.07 0.00 0.00 36.82 37.47 1r0x h ILE 507 CO 0.14 0.48 0.21 0.33 -0.69 0.00 0.00 178.15 178.63 1r0x n PHE 508 N -3.15 0.74 -1.08 1.37 7.35 0.12 -2.04 117.46 120.76 1r0x n PHE 508 Ca -0.01 0.75 -0.03 0.00 -0.76 0.00 0.00 57.45 57.40 1r0x n PHE 508 Cb 0.78 -1.47 -0.01 0.00 0.35 0.00 0.00 39.48 39.13 1r0x n PHE 508 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1r0x n GLY 509 N 1.69 0.57 3.11 7.13 0.00 -1.26 -4.99 105.19 111.44 1r0x n GLY 509 Ca 0.17 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 1r0x n GLY 509 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r0x s VAL 510 N -1.91 1.05 0.24 1.61 1.01 -0.87 -5.11 120.40 116.43 1r0x s VAL 510 Ca 0.00 -0.68 -0.31 0.00 0.00 0.00 0.00 61.98 60.98 1r0x s VAL 510 Cb 0.00 -0.90 -0.12 0.00 0.00 0.00 0.00 36.38 35.36 1r0x s VAL 510 CO 0.00 0.21 1.68 -1.54 0.00 0.00 0.00 175.10 175.45 1r0x n SER 511 N 2.51 3.97 -4.74 3.32 3.41 -1.26 -4.94 113.62 115.88 1r0x n SER 511 Ca -0.15 1.09 -0.41 0.00 -0.26 0.00 0.00 58.87 59.14 1r0x n SER 511 Cb 0.55 -1.58 -0.03 0.00 -0.26 0.00 0.00 64.21 62.89 1r0x n SER 511 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1r0x s TYR 512 N 0.75 3.17 -0.25 7.33 5.04 -1.26 -5.02 117.35 127.12 1r0x s TYR 512 Ca 0.71 1.21 -0.02 0.00 -2.44 0.00 0.00 57.07 56.53 1r0x s TYR 512 Cb -0.50 -3.66 0.11 0.00 0.35 0.00 0.00 41.96 38.26 1r0x s TYR 512 CO 0.38 -2.04 0.25 0.34 -1.34 0.00 0.00 175.55 173.13 1r0x s ASP 513 N 0.18 1.70 0.31 4.32 3.68 -1.26 -5.05 116.67 120.56 1r0x s ASP 513 Ca 0.56 -0.55 0.00 0.00 2.13 0.00 0.00 52.55 54.69 1r0x s ASP 513 Cb -0.38 0.38 0.53 0.00 -1.45 0.00 0.00 42.92 42.00 1r0x s ASP 513 CO 0.42 -0.36 1.96 -0.08 0.13 0.00 0.00 175.17 177.23 1r0x h GLU 514 N 8.30 0.99 -0.15 4.34 4.81 -1.99 -0.83 114.58 130.05 1r0x h GLU 514 Ca -0.16 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 58.89 1r0x h GLU 514 Cb 1.10 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 1r0x h GLU 514 CO 0.32 0.65 -0.45 -0.92 -0.73 0.00 0.00 179.01 177.89 1r0x h TYR 515 N 1.02 0.43 -0.01 0.92 3.20 -1.99 -2.12 116.97 118.42 1r0x h TYR 515 Ca 0.32 -0.13 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 1r0x h TYR 515 Cb 0.00 -0.09 0.01 0.00 1.54 0.00 0.00 36.73 38.19 1r0x h TYR 515 CO -0.00 0.75 -0.27 -0.09 -1.64 0.00 0.00 178.16 176.91 1r0x h ARG 516 N 0.29 0.20 -0.07 1.82 2.43 -1.79 -2.57 114.38 114.70 1r0x h ARG 516 Ca 0.02 -0.20 0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1r0x h ARG 516 Cb 0.91 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.46 1r0x h ARG 516 CO 0.08 0.91 -0.44 -0.92 -1.51 0.00 0.00 179.97 178.09 1r0x h TYR 517 N -0.43 -1.30 -0.83 2.20 3.20 -1.22 -0.91 116.97 117.68 1r0x h TYR 517 Ca -0.03 0.05 0.12 0.00 3.14 0.00 0.00 58.73 62.01 1r0x h TYR 517 Cb 1.00 0.57 -0.06 0.00 1.54 0.00 0.00 36.73 39.78 1r0x h TYR 517 CO 0.17 -0.45 0.54 0.87 -1.64 0.00 0.00 178.16 177.65 1r0x h LYS 518 N -0.50 0.65 -0.39 1.82 1.57 -1.47 0.18 116.57 118.44 1r0x h LYS 518 Ca 0.02 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1r0x h LYS 518 Cb 0.56 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1r0x h LYS 518 CO -0.33 0.43 -0.30 1.03 -0.57 0.00 0.00 179.45 179.71 1r0x h SER 519 N 0.67 0.87 -0.02 0.86 0.87 -1.17 -1.76 113.55 113.87 1r0x h SER 519 Ca 0.40 -0.36 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1r0x h SER 519 Cb 0.61 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1r0x h SER 519 CO -0.16 1.11 -0.07 0.58 -0.53 0.00 0.00 176.83 177.76 1r0x h VAL 520 N 0.71 1.49 -0.90 2.23 2.07 -0.07 -1.48 116.25 120.30 1r0x h VAL 520 Ca 0.08 -1.53 0.18 0.00 0.82 0.00 0.00 66.70 66.25 1r0x h VAL 520 Cb 0.85 2.46 -0.10 0.00 -1.52 0.00 0.00 31.29 32.98 1r0x h VAL 520 CO 0.07 0.41 0.47 0.58 0.02 0.00 0.00 177.57 179.13 1r0x h VAL 521 N -0.52 0.66 0.02 2.57 2.07 -1.05 -1.16 116.25 118.83 1r0x h VAL 521 Ca -0.00 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1r0x h VAL 521 Cb 0.70 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1r0x h VAL 521 CO 0.01 0.11 -0.01 0.50 0.02 0.00 0.00 177.57 178.21 1r0x h LYS 522 N 0.61 -0.03 -0.04 1.57 3.64 -1.28 -0.79 116.57 120.25 1r0x h LYS 522 Ca 0.52 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.86 1r0x h LYS 522 Cb 0.82 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1r0x h LYS 522 CO -0.41 0.54 -0.17 0.00 -2.27 0.00 0.00 179.45 177.14 1r0x h ALA 523 N 0.34 1.64 -0.15 5.00 0.00 -0.92 -1.36 119.26 123.82 1r0x h ALA 523 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1r0x h ALA 523 Cb 0.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1r0x h ALA 523 CO 0.00 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1r0x n GLN 525 N -0.02 -4.67 0.14 0.00 1.13 -0.51 -4.85 117.38 108.59 1r0x n GLN 525 Ca 0.05 0.69 0.12 0.00 -1.94 0.00 0.00 57.00 55.93 1r0x n GLN 525 Cb 0.18 -5.52 0.11 0.00 0.11 0.00 0.00 30.24 25.12 1r0x n GLN 525 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1r0x h LEU 526 N -1.44 0.00 -0.83 1.08 3.38 -1.33 -3.36 115.31 112.80 1r0x h LEU 526 Ca -0.50 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 1r0x h LEU 526 Cb 1.34 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.05 1r0x h LEU 526 CO 0.57 0.02 0.42 -0.61 0.09 0.00 0.00 178.44 178.93 1r0x h GLN 527 N 0.00 1.18 -0.22 1.13 5.75 -1.85 0.17 115.11 121.27 1r0x h GLN 527 Ca 0.00 -0.16 0.06 0.00 -0.15 0.00 0.00 58.65 58.40 1r0x h GLN 527 Cb 0.95 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 29.27 1r0x h GLN 527 CO 0.00 0.90 0.20 1.96 -2.65 0.00 0.00 178.83 179.24 1r0x h GLN 528 N 1.17 0.00 0.00 1.69 7.50 -1.94 -2.78 115.11 120.76 1r0x h GLN 528 Ca 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.43 1r0x h GLN 528 Cb 0.09 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.62 1r0x h GLN 528 CO -0.04 0.00 -0.03 -0.44 -1.50 0.00 0.00 178.83 176.82 1r0x h ASP 529 N 0.00 0.00 0.99 1.46 3.32 -0.88 -3.38 116.42 117.92 1r0x h ASP 529 Ca 0.10 -0.70 -0.06 0.00 0.02 0.00 0.00 57.03 56.39 1r0x h ASP 529 Cb 0.50 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1r0x h ASP 529 CO -0.00 0.87 -0.30 0.16 -1.72 0.00 0.00 179.24 178.25 1r0x h ILE 530 N -1.00 0.68 0.00 0.35 3.07 -1.36 -1.36 117.51 117.90 1r0x h ILE 530 Ca -0.01 -1.37 0.00 0.00 1.55 0.00 0.00 64.86 65.03 1r0x h ILE 530 Cb 0.72 1.90 0.00 0.00 -0.27 0.00 0.00 36.82 39.17 1r0x h ILE 530 CO -0.00 0.29 0.00 0.00 -1.05 0.00 0.00 178.15 177.39 1r0x h THR 531 N 0.00 0.00 0.00 0.16 1.03 -1.68 -1.57 112.91 110.85 1r0x h THR 531 Ca -0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 66.28 1r0x h THR 531 Cb 0.87 0.73 0.00 0.00 -1.07 0.00 0.00 68.15 68.69 1r0x h THR 531 CO 0.04 0.00 0.00 0.29 -0.01 0.00 0.00 175.52 175.84 1r0x n LYS 532 N -2.31 0.12 -4.41 0.00 5.02 -0.51 -4.87 118.16 111.20 1r0x n LYS 532 Ca 0.00 0.11 -0.35 0.00 -2.02 0.00 0.00 58.31 56.05 1r0x n LYS 532 Cb 0.12 -1.64 -0.10 0.00 -0.02 0.00 0.00 35.03 33.40 1r0x n LYS 532 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1r0x s PHE 533 N -3.05 3.11 0.18 2.13 2.99 -0.59 -5.03 117.98 117.72 1r0x s PHE 533 Ca 0.12 0.11 -0.20 0.00 0.00 0.00 0.00 56.93 56.97 1r0x s PHE 533 Cb 0.16 -1.80 0.12 0.00 0.00 0.00 0.00 43.02 41.49 1r0x s PHE 533 CO 0.55 0.38 1.61 0.00 -0.00 0.00 0.00 175.22 177.76 1r0x h ALA 534 N 5.38 0.02 -0.62 5.36 0.00 -1.89 -2.01 119.26 125.50 1r0x h ALA 534 Ca -0.48 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1r0x h ALA 534 Cb 1.19 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1r0x h ALA 534 CO 0.55 -0.62 0.00 0.39 0.00 0.00 0.00 179.25 179.57 1r0x n GLU 535 N -5.42 2.96 0.00 0.00 -0.58 -1.26 -5.04 120.64 111.30 1r0x n GLU 535 Ca 0.03 -2.46 0.00 0.00 -0.42 0.00 0.00 57.16 54.31 1r0x n GLU 535 Cb 0.33 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 1r0x n GLU 535 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1r0x n GLN 536 N 1.23 0.00 0.00 3.49 6.02 -0.76 -0.98 117.38 126.38 1r0x n GLN 536 Ca 0.23 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.30 1r0x n GLN 536 Cb 0.67 0.00 0.43 0.00 1.02 0.00 0.00 30.24 32.36 1r0x n GLN 536 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1r0x n ASP 537 N 2.52 0.00 -0.97 1.08 3.85 -1.26 -0.95 116.55 120.82 1r0x n ASP 537 Ca 0.00 -0.11 0.07 0.00 -0.71 0.00 0.00 54.79 54.03 1r0x n ASP 537 Cb 0.00 -0.20 0.22 0.00 -1.35 0.00 0.00 41.12 39.78 1r0x n ASP 537 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1r0x n ASN 538 N -1.20 2.81 -4.73 -1.12 5.03 -0.16 -1.47 115.26 114.43 1r0x n ASN 538 Ca 0.09 -2.13 -0.42 0.00 0.87 0.00 0.00 54.58 52.99 1r0x n ASN 538 Cb 0.11 -0.38 -0.03 0.00 -1.02 0.00 0.00 39.78 38.46 1r0x n ASN 538 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1r0x s THR 539 N -1.55 2.62 -0.08 3.41 2.01 -0.12 -4.80 115.64 117.13 1r0x s THR 539 Ca 0.32 0.48 -0.25 0.00 0.31 0.00 0.00 61.69 62.54 1r0x s THR 539 Cb 0.18 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 1r0x s THR 539 CO 0.18 0.06 0.79 -0.69 -0.69 0.00 0.00 174.62 174.27 1r0x s VAL 540 N 0.59 4.97 -0.02 3.82 1.01 -1.26 -1.79 120.40 127.73 1r0x s VAL 540 Ca 0.65 1.61 0.01 0.00 0.00 0.00 0.00 61.98 64.25 1r0x s VAL 540 Cb -0.43 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 1r0x s VAL 540 CO 0.37 0.18 0.00 -0.76 0.00 0.00 0.00 175.10 174.89 1r0x s LEU 541 N 1.18 3.53 0.67 3.92 1.43 0.99 -4.95 118.68 125.46 1r0x s LEU 541 Ca 0.40 0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.42 1r0x s LEU 541 Cb -0.18 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 44.06 1r0x s LEU 541 CO 0.19 0.30 1.06 -0.83 0.23 0.00 0.00 176.35 177.30 1r0x s GLY 542 N -1.39 1.74 0.04 -3.19 0.00 -1.26 -2.60 107.32 100.66 1r0x s GLY 542 Ca 0.18 0.13 -0.38 0.00 0.00 0.00 0.00 44.72 44.64 1r0x s GLY 542 CO 0.08 0.43 1.19 -2.21 0.00 0.00 0.00 173.10 172.59 1r0x n GLU 543 N -2.92 0.53 -0.35 2.90 4.07 -1.26 0.13 120.64 123.73 1r0x n GLU 543 Ca 0.08 0.19 0.00 0.00 -0.06 0.00 0.00 57.16 57.37 1r0x n GLU 543 Cb 0.53 -1.75 0.00 0.00 -0.06 0.00 0.00 31.44 30.16 1r0x n GLU 543 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1r0x n GLY 544 N 1.96 2.30 4.23 8.31 0.00 0.28 -4.37 105.19 117.90 1r0x n GLY 544 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1r0x n GLY 544 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r0x n GLY 545 N -2.00 -0.13 0.22 -0.02 0.00 0.12 -4.74 105.19 98.64 1r0x n GLY 545 Ca 0.00 0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.26 1r0x n GLY 545 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1r0x h VAL 546 N -1.57 0.90 -0.01 1.61 2.07 -1.80 -2.42 116.25 115.03 1r0x h VAL 546 Ca -0.62 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 65.99 1r0x h VAL 546 Cb 1.32 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1r0x h VAL 546 CO 0.68 0.24 -0.05 0.35 0.02 0.00 0.00 177.57 178.81 1r0x n THR 547 N -3.86 0.00 -2.02 2.57 -2.24 -1.26 -4.87 114.28 102.61 1r0x n THR 547 Ca -0.02 -0.10 -0.30 0.00 -2.27 0.00 0.00 64.05 61.37 1r0x n THR 547 Cb 0.33 -0.03 0.03 0.00 -2.10 0.00 0.00 70.33 68.57 1r0x n THR 547 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1r0x s LEU 548 N -2.19 3.09 0.82 3.22 1.02 -0.91 -5.08 118.68 118.65 1r0x s LEU 548 Ca 0.37 1.12 -0.12 0.00 0.02 0.00 0.00 54.13 55.53 1r0x s LEU 548 Cb 0.21 -4.00 0.08 0.00 0.02 0.00 0.00 46.19 42.50 1r0x s LEU 548 CO 0.40 -1.12 1.10 -0.94 0.02 0.00 0.00 176.35 175.81 1r0x s SER 549 N -4.29 4.25 0.39 2.29 1.04 -1.26 -4.93 113.70 111.19 1r0x s SER 549 Ca 0.56 1.33 0.06 0.00 0.48 0.00 0.00 55.95 58.37 1r0x s SER 549 Cb -0.11 -2.04 0.78 0.00 0.10 0.00 0.00 66.02 64.75 1r0x s SER 549 CO 0.51 -2.13 2.03 1.23 0.98 0.00 0.00 173.24 175.86 1r0x h GLY 550 N -1.20 0.64 0.93 7.32 0.00 -1.97 -2.42 103.07 106.38 1r0x h GLY 550 Ca -0.48 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 46.47 1r0x h GLY 550 CO 0.58 0.25 -0.41 -1.33 0.00 0.00 0.00 176.54 175.63 1r0x h GLY 551 N 0.65 0.67 0.53 4.60 0.00 -1.96 -0.08 103.07 107.48 1r0x h GLY 551 Ca 0.16 -0.81 0.03 0.00 0.00 0.00 0.00 47.33 46.72 1r0x h GLY 551 CO -0.03 0.72 -0.16 1.46 0.00 0.00 0.00 176.54 178.53 1r0x h GLN 552 N 0.29 -0.22 -0.58 4.80 4.20 -1.91 0.22 115.11 121.90 1r0x h GLN 552 Ca 0.00 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.74 1r0x h GLN 552 Cb 1.01 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.81 1r0x h GLN 552 CO 0.09 -0.15 0.37 0.00 -0.67 0.00 0.00 178.83 178.47 1r0x h ARG 553 N -0.23 0.73 -0.82 1.46 3.08 -1.43 -0.97 114.38 116.19 1r0x h ARG 553 Ca 0.07 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1r0x h ARG 553 Cb 0.34 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 1r0x h ARG 553 CO -0.20 0.48 0.39 0.00 -1.07 0.00 0.00 179.97 179.58 1r0x h ALA 554 N 1.23 1.14 -0.48 0.04 0.00 -0.67 -1.46 119.26 119.06 1r0x h ALA 554 Ca 0.22 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1r0x h ALA 554 Cb -0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1r0x h ALA 554 CO -0.06 0.65 -0.17 0.00 0.00 0.00 0.00 179.25 179.67 1r0x h ARG 555 N 1.17 0.93 -0.36 0.00 3.08 -0.28 -0.78 114.38 118.13 1r0x h ARG 555 Ca 0.28 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1r0x h ARG 555 Cb 0.12 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1r0x h ARG 555 CO -0.04 1.02 0.19 0.82 -1.07 0.00 0.00 179.97 180.89 1r0x h ILE 556 N 0.81 1.15 0.00 2.04 2.04 -1.01 0.63 117.51 123.18 1r0x h ILE 556 Ca 0.12 -0.39 -0.13 0.00 1.00 0.00 0.00 64.86 65.46 1r0x h ILE 556 Cb 0.71 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1r0x h ILE 556 CO 0.05 0.15 -0.60 0.77 0.00 0.00 0.00 178.15 178.52 1r0x h SER 557 N 0.46 0.00 -0.14 1.72 4.64 -1.21 -1.03 113.55 117.99 1r0x h SER 557 Ca 0.13 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1r0x h SER 557 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1r0x h SER 557 CO -0.02 0.60 0.08 0.25 -0.87 0.00 0.00 176.83 176.88 1r0x h LEU 558 N 0.00 0.17 -0.45 5.97 6.46 -1.14 -2.28 115.31 124.04 1r0x h LEU 558 Ca -0.01 -0.05 0.05 0.00 -0.12 0.00 0.00 57.88 57.76 1r0x h LEU 558 Cb 1.38 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 41.22 1r0x h LEU 558 CO 0.08 0.17 0.18 0.00 -0.62 0.00 0.00 178.44 178.25 1r0x h ALA 559 N 1.01 0.55 -0.51 1.25 0.00 -0.68 -0.32 119.26 120.56 1r0x h ALA 559 Ca 0.05 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1r0x h ALA 559 Cb 0.03 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 1r0x h ALA 559 CO -0.01 -0.20 -0.07 -0.09 0.00 0.00 0.00 179.25 178.88 1r0x h ARG 560 N 0.37 0.05 -0.37 0.00 2.43 -1.16 0.17 114.38 115.88 1r0x h ARG 560 Ca 0.21 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.28 1r0x h ARG 560 Cb 0.18 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1r0x h ARG 560 CO -0.19 0.03 -0.16 0.00 -1.51 0.00 0.00 179.97 178.14 1r0x h ALA 561 N 1.49 0.51 -0.29 2.80 0.00 -0.95 -3.02 119.26 119.80 1r0x h ALA 561 Ca 0.25 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1r0x h ALA 561 Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1r0x h ALA 561 CO -0.49 0.43 -0.36 0.28 0.00 0.00 0.00 179.25 179.11 1r0x h VAL 562 N 0.55 1.29 0.00 0.00 2.07 -0.92 -3.00 116.25 116.24 1r0x h VAL 562 Ca 0.08 -1.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 1r0x h VAL 562 Cb 0.70 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1r0x h VAL 562 CO 0.05 0.49 -0.14 0.22 0.02 0.00 0.00 177.57 178.21 1r0x h TYR 563 N 0.55 0.00 -3.76 1.57 3.20 -0.98 -3.42 116.97 114.12 1r0x h TYR 563 Ca 0.05 0.00 -0.51 0.00 3.14 0.00 0.00 58.73 61.41 1r0x h TYR 563 Cb 0.88 0.00 0.02 0.00 1.54 0.00 0.00 36.73 39.17 1r0x h TYR 563 CO 0.04 0.14 0.51 0.21 -1.64 0.00 0.00 178.16 177.43 1r0x s LYS 564 N -4.61 4.57 -0.28 1.82 2.20 -1.14 -4.98 119.74 117.33 1r0x s LYS 564 Ca -0.04 1.88 -0.17 0.00 -0.36 0.00 0.00 55.97 57.28 1r0x s LYS 564 Cb 0.15 -3.18 -0.03 0.00 -1.51 0.00 0.00 37.83 33.27 1r0x s LYS 564 CO 0.67 0.10 0.46 0.34 -0.36 0.00 0.00 175.35 176.56 1r0x s ASP 565 N -0.64 6.35 0.27 1.43 -1.08 -1.26 -5.00 116.67 116.73 1r0x s ASP 565 Ca 0.47 0.36 -0.11 0.00 -0.52 0.00 0.00 52.55 52.75 1r0x s ASP 565 Cb -0.33 -2.25 -0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1r0x s ASP 565 CO 0.42 -0.27 0.48 0.00 0.52 0.00 0.00 175.17 176.32 1r0x s ALA 566 N 2.23 -0.02 -0.13 3.66 0.00 -1.26 -4.99 121.76 121.24 1r0x s ALA 566 Ca 0.18 -1.02 0.17 0.00 0.00 0.00 0.00 51.96 51.29 1r0x s ALA 566 Cb -0.16 1.08 -0.12 0.00 0.00 0.00 0.00 23.12 23.93 1r0x s ALA 566 CO 0.10 -0.84 0.86 -0.44 0.00 0.00 0.00 175.76 175.44 1r0x h ASP 567 N 2.23 0.00 -3.37 0.00 3.32 -1.48 -3.42 116.42 113.70 1r0x h ASP 567 Ca -0.27 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.53 1r0x h ASP 567 Cb 1.25 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.48 1r0x h ASP 567 CO 0.37 0.53 -0.59 -0.22 -1.72 0.00 0.00 179.24 177.61 1r0x s LEU 568 N -5.77 0.58 -0.22 1.55 2.96 -0.96 -3.33 118.68 113.49 1r0x s LEU 568 Ca -0.02 0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 54.17 1r0x s LEU 568 Cb 0.09 0.40 -0.02 0.00 0.50 0.00 0.00 46.19 47.16 1r0x s LEU 568 CO 0.81 -0.16 -0.02 -0.31 -1.32 0.00 0.00 176.35 175.35 1r0x s TYR 569 N 1.33 2.99 -0.26 5.38 1.51 -0.60 -0.56 117.35 127.14 1r0x s TYR 569 Ca -0.08 -0.70 -0.03 0.00 -1.01 0.00 0.00 57.07 55.25 1r0x s TYR 569 Cb -0.12 -2.11 0.02 0.00 -0.11 0.00 0.00 41.96 39.65 1r0x s TYR 569 CO -0.06 -0.41 -0.03 -0.51 -1.11 0.00 0.00 175.55 173.43 1r0x s LEU 570 N 1.31 3.35 -0.42 -1.29 1.43 0.26 -0.63 118.68 122.69 1r0x s LEU 570 Ca 0.04 -0.84 0.02 0.00 -1.03 0.00 0.00 54.13 52.32 1r0x s LEU 570 Cb -0.14 -1.71 0.11 0.00 0.03 0.00 0.00 46.19 44.48 1r0x s LEU 570 CO -0.00 -0.14 0.17 -0.76 0.23 0.00 0.00 176.35 175.84 1r0x s LEU 571 N 1.36 4.83 -0.71 1.79 1.02 0.40 -0.60 118.68 126.78 1r0x s LEU 571 Ca 0.01 -2.38 -0.22 0.00 0.02 0.00 0.00 54.13 51.56 1r0x s LEU 571 Cb -0.17 -1.70 0.08 0.00 0.02 0.00 0.00 46.19 44.43 1r0x s LEU 571 CO -0.03 -0.39 0.98 -0.62 0.02 0.00 0.00 176.35 176.31 1r0x s ASP 572 N 0.84 6.26 -1.38 2.29 -1.08 -0.22 -0.95 116.67 122.44 1r0x s ASP 572 Ca 0.12 -1.23 -0.09 0.00 -0.52 0.00 0.00 52.55 50.84 1r0x s ASP 572 Cb -0.21 -2.41 0.03 0.00 -1.46 0.00 0.00 42.92 38.87 1r0x s ASP 572 CO -0.05 -1.35 1.09 -1.20 0.52 0.00 0.00 175.17 174.19 1r0x n SER 573 N 7.40 -5.26 0.10 -0.34 7.64 -0.91 -2.97 113.62 119.29 1r0x n SER 573 Ca 0.01 -0.62 0.12 0.00 1.01 0.00 0.00 58.87 59.39 1r0x n SER 573 Cb 0.46 -4.72 0.46 0.00 -1.01 0.00 0.00 64.21 59.40 1r0x n SER 573 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1r0x n PRO 574 N -4.80 0.18 -3.10 1.43 -0.04 -1.26 -4.07 135.00 123.33 1r0x n PRO 574 Ca -0.03 0.34 -0.39 0.00 -0.04 0.00 0.00 63.50 63.37 1r0x n PRO 574 Cb 0.57 -1.80 -0.01 0.00 -0.04 0.00 0.00 33.50 32.22 1r0x n PRO 574 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1r0x n PHE 575 N -2.12 2.59 -1.66 0.54 3.72 -1.26 -4.68 117.46 114.58 1r0x n PHE 575 Ca 0.03 -2.94 0.05 0.00 -0.05 0.00 0.00 57.45 54.54 1r0x n PHE 575 Cb 0.27 -1.10 0.08 0.00 -0.94 0.00 0.00 39.48 37.79 1r0x n PHE 575 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1r0x n GLY 576 N 1.22 2.84 3.89 1.37 0.00 -1.26 -4.81 105.19 108.44 1r0x n GLY 576 Ca 0.27 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 1r0x n GLY 576 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1r0x n TYR 577 N -0.62 -0.62 0.11 1.61 4.01 -1.26 -4.46 117.16 115.92 1r0x n TYR 577 Ca 0.09 -2.37 -0.02 0.00 -0.16 0.00 0.00 57.90 55.44 1r0x n TYR 577 Cb 0.74 -0.46 0.02 0.00 -0.31 0.00 0.00 39.34 39.32 1r0x n TYR 577 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1r0x h LEU 578 N 0.00 0.00 -5.94 7.72 3.38 -1.99 -3.38 115.31 115.10 1r0x h LEU 578 Ca -0.35 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 56.90 1r0x h LEU 578 Cb 1.30 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.99 1r0x h LEU 578 CO 0.55 0.72 2.97 -0.90 0.09 0.00 0.00 178.44 181.88 1r0x n ASP 579 N -3.39 4.97 -0.04 -0.43 3.85 -1.26 -4.71 116.55 115.54 1r0x n ASP 579 Ca 0.00 -2.87 -0.02 0.00 -0.71 0.00 0.00 54.79 51.19 1r0x n ASP 579 Cb 0.78 -1.59 0.24 0.00 -1.35 0.00 0.00 41.12 39.19 1r0x n ASP 579 CO 0.00 0.00 0.00 1.62 -1.01 0.00 0.00 177.20 177.81 1r0x h VAL 580 N 3.75 1.22 -0.27 2.12 3.04 -1.98 -2.49 116.25 121.64 1r0x h VAL 580 Ca 0.58 -0.91 -0.18 0.00 -1.01 0.00 0.00 66.70 65.18 1r0x h VAL 580 Cb 0.57 0.95 -0.00 0.00 -2.01 0.00 0.00 31.29 30.80 1r0x h VAL 580 CO 1.80 0.31 -0.54 -0.26 -1.01 0.00 0.00 177.57 177.87 1r0x h PHE 581 N 0.59 1.02 -0.70 3.17 -1.00 -1.96 -1.94 116.94 116.11 1r0x h PHE 581 Ca 0.12 -0.36 0.04 0.00 2.81 0.00 0.00 57.97 60.58 1r0x h PHE 581 Cb 0.40 -0.19 -0.05 0.00 3.61 0.00 0.00 35.95 39.72 1r0x h PHE 581 CO 0.02 1.17 0.42 1.15 -1.61 0.00 0.00 178.31 179.46 1r0x h THR 582 N 0.63 1.05 -0.13 -1.55 2.02 -1.91 -2.73 112.91 110.29 1r0x h THR 582 Ca 0.01 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 1r0x h THR 582 Cb 1.14 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1r0x h THR 582 CO 0.12 0.15 -0.26 -0.33 0.37 0.00 0.00 175.52 175.56 1r0x h GLU 583 N 0.81 0.23 -0.54 6.66 5.08 -0.98 -0.58 114.58 125.26 1r0x h GLU 583 Ca 0.30 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1r0x h GLU 583 Cb 0.09 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1r0x h GLU 583 CO -0.14 0.49 0.18 0.93 -1.00 0.00 0.00 179.01 179.47 1r0x h GLU 584 N 0.21 0.82 -0.74 2.33 5.08 -1.18 -1.03 114.58 120.08 1r0x h GLU 584 Ca 0.03 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 1r0x h GLU 584 Cb 0.58 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1r0x h GLU 584 CO 0.04 0.75 0.21 1.96 -1.00 0.00 0.00 179.01 180.97 1r0x h GLN 585 N 0.74 1.16 -0.22 2.33 4.20 -1.15 -2.55 115.11 119.61 1r0x h GLN 585 Ca 0.17 -0.26 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1r0x h GLN 585 Cb 0.26 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1r0x h GLN 585 CO -0.01 1.00 0.04 0.28 -0.67 0.00 0.00 178.83 179.47 1r0x h VAL 586 N 1.11 1.23 -0.80 -0.54 2.07 -0.96 0.33 116.25 118.68 1r0x h VAL 586 Ca 0.24 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 67.04 1r0x h VAL 586 Cb 0.34 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1r0x h VAL 586 CO -0.00 0.24 0.51 0.15 0.02 0.00 0.00 177.57 178.48 1r0x h PHE 587 N 0.17 0.95 0.29 1.57 3.04 -1.13 0.13 116.94 121.95 1r0x h PHE 587 Ca 0.07 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.03 1r0x h PHE 587 Cb 0.32 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.52 1r0x h PHE 587 CO 0.02 0.54 -0.14 1.49 -2.02 0.00 0.00 178.31 178.20 1r0x h GLU 588 N 0.98 -0.37 0.02 1.11 4.81 -1.26 -0.23 114.58 119.64 1r0x h GLU 588 Ca 0.32 0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 59.33 1r0x h GLU 588 Cb 0.02 0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.50 1r0x h GLU 588 CO -0.12 -0.03 -1.02 0.77 -0.73 0.00 0.00 179.01 177.88 1r0x h SER 589 N -0.82 0.66 0.00 1.04 0.02 -0.88 -2.23 113.55 111.34 1r0x h SER 589 Ca -0.04 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1r0x h SER 589 Cb 0.51 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1r0x h SER 589 CO 0.06 1.36 -0.35 0.00 -1.14 0.00 0.00 176.83 176.76 1r0x h VAL 591 N -0.81 1.39 0.12 0.00 2.07 -1.33 -0.92 116.25 116.78 1r0x h VAL 591 Ca 0.00 -2.30 -0.35 0.00 0.82 0.00 0.00 66.70 64.87 1r0x h VAL 591 Cb 0.35 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1r0x h VAL 591 CO 0.00 0.69 -1.88 0.00 0.02 0.00 0.00 177.57 176.39 1r0x n LYS 593 N -3.45 0.05 -0.27 0.00 5.02 -0.85 -3.44 118.16 115.22 1r0x n LYS 593 Ca -0.28 0.02 0.08 0.00 -2.02 0.00 0.00 58.31 56.12 1r0x n LYS 593 Cb 1.05 -0.57 0.22 0.00 -0.02 0.00 0.00 35.03 35.71 1r0x n LYS 593 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1r0x h LEU 594 N -0.09 -0.13 -3.29 -0.35 5.85 -1.16 -1.97 115.31 114.16 1r0x h LEU 594 Ca 0.00 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1r0x h LEU 594 Cb 0.09 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1r0x h LEU 594 CO 0.00 -0.14 0.00 0.23 -0.34 0.00 0.00 178.44 178.19 1r0x n MET 595 N -5.26 4.47 -0.29 1.25 2.81 -0.35 -4.61 117.12 115.14 1r0x n MET 595 Ca 0.17 -2.86 0.29 0.00 -1.81 0.00 0.00 57.70 53.50 1r0x n MET 595 Cb 0.56 -2.17 0.66 0.00 -0.71 0.00 0.00 33.22 31.55 1r0x n MET 595 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1r0x h ALA 596 N 3.86 2.74 -0.45 3.04 0.00 -1.38 -0.80 119.26 126.27 1r0x h ALA 596 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r0x h ALA 596 Cb 1.81 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1r0x h ALA 596 CO 0.43 -1.09 0.00 0.09 0.00 0.00 0.00 179.25 178.68 1r0x n ASN 597 N -4.36 4.13 -4.61 0.00 3.02 -1.26 -4.79 115.26 107.39 1r0x n ASN 597 Ca 0.24 -2.55 -0.34 0.00 -0.03 0.00 0.00 54.58 51.90 1r0x n ASN 597 Cb 1.05 -0.49 -0.10 0.00 -0.61 0.00 0.00 39.78 39.63 1r0x n ASN 597 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1r0x s LYS 598 N -2.00 3.55 0.05 3.52 -0.14 -0.31 -4.18 119.74 120.23 1r0x s LYS 598 Ca 0.42 -0.42 -0.31 0.00 -1.36 0.00 0.00 55.97 54.31 1r0x s LYS 598 Cb 0.29 -2.98 -0.07 0.00 -1.68 0.00 0.00 37.83 33.39 1r0x s LYS 598 CO 0.17 0.41 1.54 0.99 -0.76 0.00 0.00 175.35 177.71 1r0x s THR 599 N -0.07 3.30 -0.03 2.17 2.01 -1.25 -4.41 115.64 117.36 1r0x s THR 599 Ca 0.04 0.74 -0.07 0.00 0.31 0.00 0.00 61.69 62.71 1r0x s THR 599 Cb -0.13 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 68.92 1r0x s THR 599 CO 0.02 0.00 0.16 0.00 -0.69 0.00 0.00 174.62 174.11 1r0x s ARG 600 N 2.43 0.36 -0.16 4.92 1.70 -0.74 -1.56 118.95 125.91 1r0x s ARG 600 Ca 0.69 -0.09 0.02 0.00 -0.47 0.00 0.00 55.73 55.88 1r0x s ARG 600 Cb -0.36 0.16 0.01 0.00 -0.57 0.00 0.00 34.95 34.19 1r0x s ARG 600 CO 0.30 -0.08 -0.21 0.42 -1.08 0.00 0.00 175.30 174.65 1r0x s ILE 601 N -0.70 2.04 -0.22 4.99 1.01 0.20 -1.47 121.20 127.06 1r0x s ILE 601 Ca -0.08 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.64 1r0x s ILE 601 Cb -0.05 -1.82 0.04 0.00 0.01 0.00 0.00 42.46 40.64 1r0x s ILE 601 CO 0.01 0.54 -0.16 -0.22 0.00 0.00 0.00 174.94 175.12 1r0x s LEU 602 N 1.03 2.71 0.03 2.97 2.96 -0.15 -0.45 118.68 127.77 1r0x s LEU 602 Ca -0.02 -0.99 -0.25 0.00 -0.22 0.00 0.00 54.13 52.65 1r0x s LEU 602 Cb -0.14 -1.50 -0.05 0.00 0.50 0.00 0.00 46.19 45.00 1r0x s LEU 602 CO -0.07 -0.09 0.78 -0.69 -1.32 0.00 0.00 176.35 174.96 1r0x s VAL 603 N 1.21 4.78 0.19 1.68 1.01 -0.12 0.35 120.40 129.50 1r0x s VAL 603 Ca -0.01 1.64 -0.18 0.00 0.00 0.00 0.00 61.98 63.43 1r0x s VAL 603 Cb -0.16 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.13 1r0x s VAL 603 CO -0.09 0.33 0.54 0.28 0.00 0.00 0.00 175.10 176.16 1r0x s THR 604 N 0.14 0.02 -0.12 3.92 -1.32 0.47 -2.13 115.64 116.62 1r0x s THR 604 Ca 0.40 -0.67 0.15 0.00 -1.21 0.00 0.00 61.69 60.35 1r0x s THR 604 Cb -0.20 -1.50 0.34 0.00 -1.51 0.00 0.00 72.50 69.63 1r0x s THR 604 CO 0.23 -0.10 1.16 -1.54 -2.21 0.00 0.00 174.62 172.16 1r0x n SER 605 N -0.35 1.47 -4.40 8.08 3.41 -1.26 -4.26 113.62 116.31 1r0x n SER 605 Ca -0.11 -3.03 -0.33 0.00 -0.26 0.00 0.00 58.87 55.14 1r0x n SER 605 Cb 0.63 -0.41 -0.14 0.00 -0.26 0.00 0.00 64.21 64.03 1r0x n SER 605 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1r0x s LYS 606 N -1.98 3.33 0.31 4.33 1.02 -1.26 -4.84 119.74 120.64 1r0x s LYS 606 Ca 0.31 -0.67 0.12 0.00 0.02 0.00 0.00 55.97 55.75 1r0x s LYS 606 Cb 0.31 -2.64 0.48 0.00 -0.52 0.00 0.00 37.83 35.46 1r0x s LYS 606 CO -0.06 0.26 1.68 0.52 -0.92 0.00 0.00 175.35 176.83 1r0x h MET 607 N 6.56 0.00 -0.72 1.68 2.86 -1.96 -2.11 114.93 121.24 1r0x h MET 607 Ca -0.28 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.47 1r0x h MET 607 Cb 1.21 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.82 1r0x h MET 607 CO 0.56 0.53 0.48 1.49 1.06 0.00 0.00 176.91 181.03 1r0x h GLU 608 N 0.00 0.51 -0.20 1.72 4.57 -1.99 -0.52 114.58 118.67 1r0x h GLU 608 Ca -0.01 -0.03 -0.16 0.00 -1.18 0.00 0.00 59.36 57.99 1r0x h GLU 608 Cb 0.96 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 1r0x h GLU 608 CO 0.07 0.34 -0.52 0.45 -1.18 0.00 0.00 179.01 178.17 1r0x h HIS 609 N 0.52 0.71 -0.49 0.92 3.86 -1.81 -1.74 115.15 117.13 1r0x h HIS 609 Ca 0.34 -0.24 -0.10 0.00 -1.16 0.00 0.00 60.37 59.21 1r0x h HIS 609 Cb 0.62 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 1r0x h HIS 609 CO -0.00 0.97 -0.08 -0.07 0.86 0.00 0.00 177.93 179.61 1r0x h LEU 610 N 0.45 0.88 -0.52 2.43 4.07 -1.40 -1.21 115.31 120.01 1r0x h LEU 610 Ca 0.02 -0.27 -0.01 0.00 0.08 0.00 0.00 57.88 57.70 1r0x h LEU 610 Cb 1.05 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.53 1r0x h LEU 610 CO 0.10 0.99 0.29 -0.09 -1.08 0.00 0.00 178.44 178.65 1r0x h ARG 611 N 0.81 0.72 0.00 1.13 2.43 -0.85 -2.89 114.38 115.73 1r0x h ARG 611 Ca 0.14 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1r0x h ARG 611 Cb 0.60 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1r0x h ARG 611 CO 0.04 0.55 -0.51 1.63 -1.51 0.00 0.00 179.97 180.17 1r0x n LYS 612 N -4.65 0.22 -1.37 0.20 4.76 -0.68 -4.91 118.16 111.75 1r0x n LYS 612 Ca 0.03 0.08 -0.32 0.00 -2.87 0.00 0.00 58.31 55.22 1r0x n LYS 612 Cb 0.08 -1.65 0.09 0.00 -1.84 0.00 0.00 35.03 31.70 1r0x n LYS 612 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1r0x s ALA 613 N -3.12 2.17 0.06 7.82 0.00 -0.46 -4.96 121.76 123.26 1r0x s ALA 613 Ca 0.08 0.54 -0.15 0.00 0.00 0.00 0.00 51.96 52.43 1r0x s ALA 613 Cb 0.14 -3.36 -0.25 0.00 0.00 0.00 0.00 23.12 19.66 1r0x s ALA 613 CO 0.70 -1.79 1.16 -0.44 0.00 0.00 0.00 175.76 175.38 1r0x h ASP 614 N -0.69 0.87 -4.50 0.00 3.32 -1.19 -3.45 116.42 110.78 1r0x h ASP 614 Ca -0.45 -0.76 -0.25 0.00 0.02 0.00 0.00 57.03 55.58 1r0x h ASP 614 Cb 1.26 -0.27 -0.15 0.00 0.22 0.00 0.00 39.33 40.38 1r0x h ASP 614 CO 0.50 1.53 -0.70 -0.54 -1.72 0.00 0.00 179.24 178.30 1r0x s LYS 615 N -3.22 0.85 -0.02 3.56 -0.14 -0.80 -4.66 119.74 115.30 1r0x s LYS 615 Ca -0.10 -1.30 0.04 0.00 -1.36 0.00 0.00 55.97 53.24 1r0x s LYS 615 Cb 0.06 -0.30 -0.00 0.00 -1.68 0.00 0.00 37.83 35.90 1r0x s LYS 615 CO 0.92 0.01 -0.13 0.42 -0.76 0.00 0.00 175.35 175.81 1r0x s ILE 616 N -3.33 1.05 -0.09 2.17 1.01 0.13 -0.99 121.20 121.15 1r0x s ILE 616 Ca 0.11 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.24 1r0x s ILE 616 Cb 0.03 -0.90 0.02 0.00 0.01 0.00 0.00 42.46 41.62 1r0x s ILE 616 CO -0.03 0.31 -0.12 -0.22 0.00 0.00 0.00 174.94 174.87 1r0x s LEU 617 N -0.05 1.57 -0.19 2.97 0.20 0.14 -1.89 118.68 121.42 1r0x s LEU 617 Ca 0.00 -0.35 -0.02 0.00 0.69 0.00 0.00 54.13 54.45 1r0x s LEU 617 Cb -0.08 -0.94 -0.00 0.00 -0.43 0.00 0.00 46.19 44.74 1r0x s LEU 617 CO 0.00 -0.01 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.33 1r0x s ILE 618 N 1.03 3.05 0.02 6.68 1.01 0.73 -0.29 121.20 133.42 1r0x s ILE 618 Ca -0.07 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1r0x s ILE 618 Cb -0.15 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1r0x s ILE 618 CO -0.01 0.47 0.08 -0.76 0.00 0.00 0.00 174.94 174.72 1r0x s LEU 619 N 1.21 3.87 -0.11 2.97 1.02 -0.20 0.39 118.68 127.83 1r0x s LEU 619 Ca 0.02 0.11 -0.05 0.00 0.02 0.00 0.00 54.13 54.23 1r0x s LEU 619 Cb -0.14 -2.33 0.05 0.00 0.02 0.00 0.00 46.19 43.79 1r0x s LEU 619 CO -0.03 0.25 0.25 -2.28 0.02 0.00 0.00 176.35 174.55 1r0x s HIS 620 N -1.24 -0.35 -1.49 0.29 2.46 -0.30 -2.51 115.29 112.16 1r0x s HIS 620 Ca 0.24 0.83 -0.11 0.00 0.47 0.00 0.00 55.06 56.49 1r0x s HIS 620 Cb -0.12 0.01 0.07 0.00 -0.13 0.00 0.00 32.58 32.41 1r0x s HIS 620 CO 0.16 -0.27 0.97 1.04 -2.47 0.00 0.00 174.74 174.17 1r0x n GLN 621 N 4.58 -5.69 -1.08 2.88 3.00 -1.26 -1.27 117.38 118.54 1r0x n GLN 621 Ca -0.19 0.62 -0.03 0.00 -0.01 0.00 0.00 57.00 57.39 1r0x n GLN 621 Cb 0.52 -5.49 -0.01 0.00 0.00 0.00 0.00 30.24 25.26 1r0x n GLN 621 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1r0x n GLY 622 N -1.71 0.43 3.59 1.08 0.00 0.21 -4.94 105.19 103.86 1r0x n GLY 622 Ca -0.01 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 1r0x n GLY 622 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r0x s SER 623 N -2.17 4.18 -0.53 1.61 0.01 -0.40 -0.78 113.70 115.61 1r0x s SER 623 Ca 0.00 -0.84 -0.28 0.00 1.31 0.00 0.00 55.95 56.14 1r0x s SER 623 Cb 0.00 -0.61 0.03 0.00 0.21 0.00 0.00 66.02 65.65 1r0x s SER 623 CO 0.00 -0.05 1.15 -0.55 0.41 0.00 0.00 173.24 174.20 1r0x s SER 624 N -3.64 6.51 0.10 2.44 0.15 -1.26 -1.15 113.70 116.85 1r0x s SER 624 Ca 0.32 0.21 -0.06 0.00 0.70 0.00 0.00 55.95 57.13 1r0x s SER 624 Cb -0.04 -2.54 -0.20 0.00 -1.71 0.00 0.00 66.02 61.52 1r0x s SER 624 CO 0.18 -1.36 1.21 0.22 1.20 0.00 0.00 173.24 174.69 1r0x h TYR 625 N 9.39 0.60 -2.06 3.44 5.03 -0.38 -3.46 116.97 129.52 1r0x h TYR 625 Ca -0.24 -0.38 -0.03 0.00 2.58 0.00 0.00 58.73 60.65 1r0x h TYR 625 Cb 1.06 -0.05 -0.21 0.00 1.55 0.00 0.00 36.73 39.08 1r0x h TYR 625 CO 1.00 1.25 0.07 0.12 -1.32 0.00 0.00 178.16 179.28 1r0x s PHE 626 N -2.94 -0.82 -0.06 -3.82 2.19 -1.00 -4.98 117.98 106.54 1r0x s PHE 626 Ca -0.05 1.90 0.01 0.00 0.33 0.00 0.00 56.93 59.12 1r0x s PHE 626 Cb 0.08 0.34 0.02 0.00 -1.31 0.00 0.00 43.02 42.15 1r0x s PHE 626 CO 0.88 -0.40 -0.06 -0.47 1.83 0.00 0.00 175.22 177.00 1r0x s TYR 627 N 0.65 0.96 -1.29 10.12 5.04 -1.26 -0.20 117.35 131.37 1r0x s TYR 627 Ca -0.02 -0.32 0.00 0.00 -2.44 0.00 0.00 57.07 54.29 1r0x s TYR 627 Cb -0.05 -0.82 0.00 0.00 0.35 0.00 0.00 41.96 41.44 1r0x s TYR 627 CO -0.04 -0.25 0.00 0.41 -1.34 0.00 0.00 175.55 174.33 1r0x n GLY 628 N 4.20 -0.62 3.92 8.97 0.00 -0.79 -4.99 105.19 115.88 1r0x n GLY 628 Ca -0.21 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 1r0x n GLY 628 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r0x s THR 629 N -4.00 3.64 0.37 2.61 -4.23 -1.26 0.20 115.64 112.97 1r0x s THR 629 Ca 0.00 -1.19 0.28 0.00 -1.18 0.00 0.00 61.69 59.59 1r0x s THR 629 Cb 0.00 -3.25 0.30 0.00 1.34 0.00 0.00 72.50 70.89 1r0x s THR 629 CO 0.00 -0.14 2.05 0.15 -0.54 0.00 0.00 174.62 176.14 1r0x h PHE 630 N 1.05 0.00 0.18 3.99 3.57 -1.85 -0.73 116.94 123.14 1r0x h PHE 630 Ca -0.45 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.05 1r0x h PHE 630 Cb 1.26 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.00 1r0x h PHE 630 CO 0.48 0.12 -0.09 1.03 -2.23 0.00 0.00 178.31 177.62 1r0x h SER 631 N 0.00 -0.20 -0.84 0.41 0.87 -1.95 -2.13 113.55 109.71 1r0x h SER 631 Ca -0.00 -0.30 0.12 0.00 -1.23 0.00 0.00 61.79 60.38 1r0x h SER 631 Cb 0.38 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.34 1r0x h SER 631 CO 0.02 0.23 0.54 -0.33 -0.53 0.00 0.00 176.83 176.76 1r0x h GLU 632 N -0.69 0.67 0.14 2.24 5.08 -1.81 -1.91 114.58 118.30 1r0x h GLU 632 Ca -0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1r0x h GLU 632 Cb 0.49 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1r0x h GLU 632 CO 0.04 0.44 -0.07 1.25 -1.00 0.00 0.00 179.01 179.67 1r0x h LEU 633 N 0.69 -0.16 -1.68 1.33 5.85 -1.12 0.98 115.31 121.20 1r0x h LEU 633 Ca 0.40 -0.15 0.19 0.00 0.84 0.00 0.00 57.88 59.16 1r0x h LEU 633 Cb 0.60 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 1r0x h LEU 633 CO -0.17 0.06 0.55 1.56 -0.34 0.00 0.00 178.44 180.10 1r0x h GLN 634 N -0.39 0.28 0.00 1.25 4.20 -0.81 0.15 115.11 119.78 1r0x h GLN 634 Ca -0.02 -0.02 -0.33 0.00 0.06 0.00 0.00 58.65 58.35 1r0x h GLN 634 Cb 0.31 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.96 1r0x h GLN 634 CO 0.03 0.18 -2.23 -1.13 -0.67 0.00 0.00 178.83 175.02 1r0x n SER 635 N -4.44 1.69 0.10 1.46 3.41 -0.77 -4.21 113.62 110.85 1r0x n SER 635 Ca 0.16 -0.07 0.12 0.00 -0.26 0.00 0.00 58.87 58.82 1r0x n SER 635 Cb 0.68 0.14 0.07 0.00 -0.26 0.00 0.00 64.21 64.85 1r0x n SER 635 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1r0x h LEU 636 N 0.00 0.00 -6.02 1.04 3.38 0.10 -3.39 115.31 110.43 1r0x h LEU 636 Ca -0.48 -0.08 -0.58 0.00 0.09 0.00 0.00 57.88 56.83 1r0x h LEU 636 Cb 1.88 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 42.22 1r0x h LEU 636 CO -0.04 0.04 -0.81 0.54 0.09 0.00 0.00 178.44 178.26 1r0x n ARG 637 N -2.50 1.88 0.20 1.13 5.12 0.50 -4.96 116.66 118.05 1r0x n ARG 637 Ca 0.01 -4.11 0.08 0.00 -1.93 0.00 0.00 57.85 51.90 1r0x n ARG 637 Cb 0.51 -1.86 0.37 0.00 -1.16 0.00 0.00 32.46 30.31 1r0x n ARG 637 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1r0x h PRO 638 N 3.91 0.00 0.00 5.56 0.13 -1.73 -1.98 132.00 137.89 1r0x h PRO 638 Ca 0.14 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.09 1r0x h PRO 638 Cb 0.74 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.84 1r0x h PRO 638 CO 0.69 0.28 -1.05 -0.44 -0.23 0.00 0.00 178.00 177.25 1r0x h ASP 639 N 0.00 0.00 -0.02 1.44 5.19 -1.92 -2.33 116.42 118.78 1r0x h ASP 639 Ca -0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1r0x h ASP 639 Cb 0.87 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.38 1r0x h ASP 639 CO 0.04 0.78 -0.01 0.15 -3.12 0.00 0.00 179.24 177.08 1r0x h PHE 640 N 0.00 0.05 -0.08 4.55 3.04 -1.91 -3.19 116.94 119.40 1r0x h PHE 640 Ca -0.08 -0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.71 1r0x h PHE 640 Cb 1.67 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 40.16 1r0x h PHE 640 CO 0.00 0.48 -0.58 0.77 -2.02 0.00 0.00 178.31 176.96 1r0x h SER 641 N -0.39 0.30 0.04 0.41 0.02 -1.42 -0.87 113.55 111.65 1r0x h SER 641 Ca 0.00 -0.17 -0.20 0.00 -0.84 0.00 0.00 61.79 60.58 1r0x h SER 641 Cb 0.46 -0.09 0.02 0.00 0.14 0.00 0.00 62.40 62.94 1r0x h SER 641 CO 0.00 0.82 -0.82 -1.28 -1.14 0.00 0.00 176.83 174.41 1r0x h SER 642 N 0.20 0.65 -0.20 3.07 0.87 -1.56 0.12 113.55 116.71 1r0x h SER 642 Ca -0.00 -0.79 0.04 0.00 -1.23 0.00 0.00 61.79 59.80 1r0x h SER 642 Cb 1.08 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 1r0x h SER 642 CO 0.09 1.37 -0.02 0.50 -0.53 0.00 0.00 176.83 178.25 1r0x h LYS 643 N 0.02 0.04 -0.08 2.24 1.63 -1.52 -0.99 116.57 117.91 1r0x h LYS 643 Ca -0.11 -0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.61 1r0x h LYS 643 Cb 1.53 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.16 1r0x h LYS 643 CO 0.16 0.03 -0.22 -0.07 -3.45 0.00 0.00 179.45 175.90 1r0x h LEU 644 N 0.04 0.34 0.00 5.20 -0.00 -1.12 -2.47 115.31 117.30 1r0x h LEU 644 Ca 0.09 -0.59 0.00 0.00 -0.00 0.00 0.00 57.88 57.38 1r0x h LEU 644 Cb 0.13 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.69 1r0x h LEU 644 CO -0.18 0.87 0.00 0.23 -0.00 0.00 0.00 178.44 179.36 1r0x n MET 645 N -4.52 0.04 0.08 1.13 2.81 0.41 -3.11 117.12 113.96 1r0x n MET 645 Ca -0.08 0.29 0.12 0.00 -1.81 0.00 0.00 57.70 56.22 1r0x n MET 645 Cb 0.43 -1.50 0.46 0.00 -0.71 0.00 0.00 33.22 31.90 1r0x n MET 645 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1r0x n GLY 646 N -0.47 -1.42 3.76 3.03 0.00 -0.38 -4.64 105.19 105.07 1r0x n GLY 646 Ca 0.03 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1r0x n GLY 646 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r0x s TYR 647 N -3.14 3.47 0.14 1.61 1.51 -1.18 -5.02 117.35 114.74 1r0x s TYR 647 Ca 0.09 0.45 -0.12 0.00 -1.01 0.00 0.00 57.07 56.48 1r0x s TYR 647 Cb 0.12 -2.17 -0.02 0.00 -0.11 0.00 0.00 41.96 39.79 1r0x s TYR 647 CO 0.46 0.37 1.52 -0.44 -1.11 0.00 0.00 175.55 176.36 1r0x h ASP 648 N 6.31 0.93 -1.04 2.29 3.45 -1.91 -3.31 116.42 123.13 1r0x h ASP 648 Ca -0.44 -0.40 -0.46 0.00 0.43 0.00 0.00 57.03 56.16 1r0x h ASP 648 Cb 1.17 -0.26 -0.41 0.00 -0.56 0.00 0.00 39.33 39.27 1r0x h ASP 648 CO 0.72 1.12 -0.95 0.35 -1.57 0.00 0.00 179.24 178.92 1r0x n THR 649 N -4.19 1.82 -0.38 0.35 -2.24 -1.26 -4.90 114.28 103.48 1r0x n THR 649 Ca -0.01 -3.92 0.29 0.00 -2.27 0.00 0.00 64.05 58.14 1r0x n THR 649 Cb 0.44 -0.26 0.56 0.00 -2.10 0.00 0.00 70.33 68.98 1r0x n THR 649 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1r0x h PHE 650 N 2.63 0.66 0.00 4.78 3.57 -1.92 -1.73 116.94 124.93 1r0x h PHE 650 Ca 0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1r0x h PHE 650 Cb 1.17 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1r0x h PHE 650 CO 0.68 -0.11 0.00 -0.25 -2.23 0.00 0.00 178.31 176.40 1r0x n ASP 651 N -4.75 0.00 -0.53 0.41 9.92 -1.26 -1.84 116.55 118.51 1r0x n ASP 651 Ca 0.32 0.05 0.06 0.00 -0.53 0.00 0.00 54.79 54.69 1r0x n ASP 651 Cb 1.14 -0.34 0.08 0.00 -0.64 0.00 0.00 41.12 41.37 1r0x n ASP 651 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r0x n GLN 652 N -1.34 1.34 -1.09 -1.24 6.02 -0.65 -4.93 117.38 115.49 1r0x n GLN 652 Ca 0.11 -1.47 -0.31 0.00 -0.01 0.00 0.00 57.00 55.32 1r0x n GLN 652 Cb 0.24 -1.24 0.12 0.00 1.02 0.00 0.00 30.24 30.38 1r0x n GLN 652 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1r0x s PHE 653 N -0.97 2.26 0.82 1.08 2.99 -0.76 -5.02 117.98 118.38 1r0x s PHE 653 Ca 0.17 1.57 -0.11 0.00 0.00 0.00 0.00 56.93 58.56 1r0x s PHE 653 Cb 0.11 -3.14 0.09 0.00 0.00 0.00 0.00 43.02 40.07 1r0x s PHE 653 CO 0.15 -2.20 1.13 0.95 -0.00 0.00 0.00 175.22 175.25 1r0x s THR 654 N -2.83 2.70 0.23 0.64 -4.23 -1.26 -4.76 115.64 106.13 1r0x s THR 654 Ca 0.63 0.24 -0.06 0.00 -1.18 0.00 0.00 61.69 61.32 1r0x s THR 654 Cb -0.19 -2.55 0.19 0.00 1.34 0.00 0.00 72.50 71.29 1r0x s THR 654 CO 0.57 -0.28 1.82 -0.08 -0.54 0.00 0.00 174.62 176.11 1r0x h GLU 655 N -1.29 0.79 0.04 3.99 4.22 -1.90 -1.11 114.58 119.32 1r0x h GLU 655 Ca -0.44 -0.05 0.01 0.00 0.08 0.00 0.00 59.36 58.96 1r0x h GLU 655 Cb 1.25 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1r0x h GLU 655 CO 0.47 0.52 -0.08 1.49 -2.18 0.00 0.00 179.01 179.24 1r0x h GLU 656 N 0.81 -0.15 -0.48 1.92 4.81 -1.91 -1.28 114.58 118.30 1r0x h GLU 656 Ca 0.36 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.66 1r0x h GLU 656 Cb 0.24 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 1r0x h GLU 656 CO -0.20 -0.10 0.18 -0.09 -0.73 0.00 0.00 179.01 178.08 1r0x h ARG 657 N -0.15 0.36 -0.23 1.92 9.65 -1.89 -0.97 114.38 123.07 1r0x h ARG 657 Ca 0.02 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1r0x h ARG 657 Cb 0.17 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 1r0x h ARG 657 CO -0.05 0.24 0.14 0.00 2.80 0.00 0.00 179.97 183.10 1r0x h ARG 658 N 0.37 0.29 -0.27 0.20 3.08 -0.95 -0.45 114.38 116.65 1r0x h ARG 658 Ca 0.22 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.18 1r0x h ARG 658 Cb 0.21 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1r0x h ARG 658 CO -0.22 0.19 -0.16 0.77 -1.07 0.00 0.00 179.97 179.48 1r0x h SER 659 N 0.29 0.46 -0.21 7.04 0.02 -1.13 -0.32 113.55 119.70 1r0x h SER 659 Ca 0.09 -0.13 -0.13 0.00 -0.84 0.00 0.00 61.79 60.78 1r0x h SER 659 Cb -0.02 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1r0x h SER 659 CO -0.03 0.65 -0.38 -1.28 -1.14 0.00 0.00 176.83 174.65 1r0x h SER 660 N 0.43 0.69 -0.32 3.07 0.87 -0.88 0.65 113.55 118.06 1r0x h SER 660 Ca 0.08 -0.54 -0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1r0x h SER 660 Cb 0.54 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 1r0x h SER 660 CO 0.03 1.10 0.19 0.40 -0.53 0.00 0.00 176.83 178.03 1r0x h ILE 661 N 0.31 1.12 -0.74 2.23 2.04 -0.94 0.46 117.51 121.99 1r0x h ILE 661 Ca 0.01 -0.28 0.08 0.00 1.00 0.00 0.00 64.86 65.67 1r0x h ILE 661 Cb 0.97 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 37.71 1r0x h ILE 661 CO 0.08 0.12 0.40 -0.07 0.00 0.00 0.00 178.15 178.69 1r0x h LEU 662 N 0.41 0.57 0.05 1.44 3.38 -0.98 -0.18 115.31 120.00 1r0x h LEU 662 Ca 0.12 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1r0x h LEU 662 Cb 0.02 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1r0x h LEU 662 CO -0.02 0.34 -0.03 0.74 0.09 0.00 0.00 178.44 179.56 1r0x h THR 663 N 0.70 1.04 -0.81 0.22 2.02 -0.34 -0.99 112.91 114.75 1r0x h THR 663 Ca 0.35 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1r0x h THR 663 Cb 0.31 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 1r0x h THR 663 CO -0.23 0.08 0.51 -0.08 0.37 0.00 0.00 175.52 176.16 1r0x h GLU 664 N -0.20 1.08 -0.26 6.66 4.81 -0.68 0.53 114.58 126.53 1r0x h GLU 664 Ca -0.01 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1r0x h GLU 664 Cb 0.18 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1r0x h GLU 664 CO 0.01 0.74 0.08 1.15 -0.73 0.00 0.00 179.01 180.26 1r0x h THR 665 N 1.10 1.20 -0.74 0.32 2.02 -0.88 -1.79 112.91 114.15 1r0x h THR 665 Ca 0.29 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1r0x h THR 665 Cb -0.08 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1r0x h THR 665 CO -0.06 0.21 0.41 -0.07 0.37 0.00 0.00 175.52 176.38 1r0x h LEU 666 N 0.25 0.92 -1.19 2.58 4.07 -0.94 -2.05 115.31 118.94 1r0x h LEU 666 Ca 0.08 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1r0x h LEU 666 Cb 0.25 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.71 1r0x h LEU 666 CO -0.00 0.75 0.52 0.03 -1.08 0.00 0.00 178.44 178.66 1r0x h ARG 667 N 1.02 1.06 -0.07 1.13 3.08 -0.69 -2.99 114.38 116.92 1r0x h ARG 667 Ca 0.26 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.13 1r0x h ARG 667 Cb 0.03 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 1r0x h ARG 667 CO -0.04 0.71 -0.44 0.00 -1.07 0.00 0.00 179.97 179.13 1r0x h ARG 668 N 1.09 0.17 0.00 0.04 3.08 -0.65 -3.47 114.38 114.64 1r0x h ARG 668 Ca 0.29 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.21 1r0x h ARG 668 Cb -0.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1r0x h ARG 668 CO -0.06 0.58 -0.03 1.19 -1.07 0.00 0.00 179.97 180.59 1r0x n PHE 669 N -4.01 -0.92 -1.23 3.04 3.72 -0.90 -5.11 117.46 112.06 1r0x n PHE 669 Ca -0.02 -0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1r0x n PHE 669 Cb 0.49 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 1r0x n PHE 669 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14