#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmi s THR 389 N 0.00 0.00 0.11 6.66 -1.32 -1.26 -4.07 115.64 115.75 1xmi s THR 389 Ca 0.00 -1.73 0.05 0.00 -1.21 0.00 0.00 61.69 58.80 1xmi s THR 389 Cb 0.00 -2.47 -0.04 0.00 -1.51 0.00 0.00 72.50 68.49 1xmi s THR 389 CO 0.00 0.00 -0.12 0.28 -2.21 0.00 0.00 174.62 172.57 1xmi s THR 390 N -3.70 1.13 0.56 5.08 -1.32 -1.06 -4.98 115.64 111.35 1xmi s THR 390 Ca 0.32 -1.65 -0.16 0.00 -1.21 0.00 0.00 61.69 59.00 1xmi s THR 390 Cb 0.02 -1.41 -0.06 0.00 -1.51 0.00 0.00 72.50 69.54 1xmi s THR 390 CO 0.16 -0.47 1.02 -1.61 -2.21 0.00 0.00 174.62 171.51 1xmi s GLU 391 N -2.65 3.63 -0.08 7.08 2.02 -1.26 -4.16 118.70 123.28 1xmi s GLU 391 Ca 0.06 1.06 0.02 0.00 0.02 0.00 0.00 54.97 56.13 1xmi s GLU 391 Cb -0.04 -2.08 0.02 0.00 0.10 0.00 0.00 34.13 32.12 1xmi s GLU 391 CO 0.02 -0.54 -0.12 0.08 0.02 0.00 0.00 175.26 174.72 1xmi s VAL 392 N -2.58 1.18 -0.05 2.63 1.01 -0.67 -4.30 120.40 117.62 1xmi s VAL 392 Ca 0.61 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.13 1xmi s VAL 392 Cb -0.13 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1xmi s VAL 392 CO 0.35 0.37 -0.09 -0.69 0.00 0.00 0.00 175.10 175.04 1xmi s VAL 393 N 0.91 0.90 -0.09 2.92 1.01 0.10 -0.53 120.40 125.62 1xmi s VAL 393 Ca -0.10 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1xmi s VAL 393 Cb -0.15 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1xmi s VAL 393 CO 0.01 0.30 -0.21 -0.04 0.00 0.00 0.00 175.10 175.16 1xmi s MET 394 N 0.68 2.66 -0.16 2.72 -1.94 0.66 -0.52 119.30 123.40 1xmi s MET 394 Ca -0.12 -0.74 0.00 0.00 -1.71 0.00 0.00 55.69 53.12 1xmi s MET 394 Cb -0.15 -2.04 0.03 0.00 2.01 0.00 0.00 34.83 34.68 1xmi s MET 394 CO 0.02 0.13 -0.11 -1.21 -0.01 0.00 0.00 175.02 173.84 1xmi s GLU 395 N 0.44 2.03 -1.54 2.03 2.02 0.08 -1.40 118.70 122.36 1xmi s GLU 395 Ca -0.18 -0.58 -0.06 0.00 0.02 0.00 0.00 54.97 54.17 1xmi s GLU 395 Cb -0.17 -2.10 0.05 0.00 0.10 0.00 0.00 34.13 32.01 1xmi s GLU 395 CO 0.07 -0.31 0.44 0.09 0.02 0.00 0.00 175.26 175.57 1xmi n ASN 396 N 4.78 -0.92 -4.71 -0.19 4.13 -1.02 -0.71 115.26 116.62 1xmi n ASN 396 Ca -0.15 -1.07 -0.41 0.00 1.68 0.00 0.00 54.58 54.63 1xmi n ASN 396 Cb 0.49 -2.62 -0.04 0.00 -1.54 0.00 0.00 39.78 36.06 1xmi n ASN 396 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1xmi s VAL 397 N -3.84 4.98 -0.03 2.41 1.01 -0.94 -3.15 120.40 120.84 1xmi s VAL 397 Ca 0.23 1.64 0.03 0.00 0.00 0.00 0.00 61.98 63.89 1xmi s VAL 397 Cb -0.13 -4.13 -0.00 0.00 0.00 0.00 0.00 36.38 32.12 1xmi s VAL 397 CO 0.93 0.20 -0.12 -0.89 0.00 0.00 0.00 175.10 175.22 1xmi s THR 398 N 1.00 1.01 -0.02 3.92 2.01 -0.59 -0.35 115.64 122.62 1xmi s THR 398 Ca 0.42 -0.50 -0.09 0.00 0.31 0.00 0.00 61.69 61.83 1xmi s THR 398 Cb -0.19 -0.87 0.01 0.00 0.01 0.00 0.00 72.50 71.46 1xmi s THR 398 CO 0.20 0.30 0.19 0.00 -0.69 0.00 0.00 174.62 174.62 1xmi s ALA 399 N 0.03 -0.46 -0.02 7.40 0.00 -0.00 -0.29 121.76 128.43 1xmi s ALA 399 Ca -0.01 0.10 0.07 0.00 0.00 0.00 0.00 51.96 52.11 1xmi s ALA 399 Cb -0.08 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 1xmi s ALA 399 CO 0.01 -0.20 -0.22 -0.06 0.00 0.00 0.00 175.76 175.28 1xmi s PHE 400 N -1.10 2.02 0.22 0.00 0.40 -1.26 -1.12 117.98 117.14 1xmi s PHE 400 Ca -0.12 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 55.83 1xmi s PHE 400 Cb -0.06 -1.30 0.19 0.00 0.51 0.00 0.00 43.02 42.35 1xmi s PHE 400 CO 0.02 -0.05 1.53 -1.49 0.70 0.00 0.00 175.22 175.93 1xmi h TRP 401 N 5.62 0.47 -3.18 0.36 4.06 -1.92 -3.43 115.95 117.92 1xmi h TRP 401 Ca -0.40 -0.17 -0.58 0.00 2.06 0.00 0.00 58.89 59.80 1xmi h TRP 401 Cb 1.14 -0.08 -0.06 0.00 -1.00 0.00 0.00 29.16 29.15 1xmi h TRP 401 CO 0.40 0.87 0.64 -1.21 -3.56 0.00 0.00 178.44 175.57 1xmi s GLU 402 N -3.84 4.29 0.42 0.49 8.01 -1.26 -4.93 118.70 121.87 1xmi s GLU 402 Ca -0.05 1.25 0.09 0.00 0.01 0.00 0.00 54.97 56.27 1xmi s GLU 402 Cb 0.12 -3.61 0.91 0.00 -4.31 0.00 0.00 34.13 27.24 1xmi s GLU 402 CO 0.82 -0.50 2.02 0.93 0.01 0.00 0.00 175.26 178.54 1xmi h GLU 403 N 7.40 0.50 -0.24 1.61 5.08 -2.02 -2.96 114.58 123.95 1xmi h GLU 403 Ca -0.24 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1xmi h GLU 403 Cb 1.09 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1xmi h GLU 403 CO 0.92 0.33 0.13 0.78 -1.00 0.00 0.00 179.01 180.17 1xmi h GLY 404 N 0.52 0.37 2.00 -3.84 0.00 -1.97 -3.11 103.07 97.04 1xmi h GLY 404 Ca 0.21 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 1xmi h GLY 404 CO -0.05 0.17 -0.36 0.74 0.00 0.00 0.00 176.54 177.03 1xmi h PHE 405 N 0.28 0.00 0.38 5.60 0.05 -1.93 -3.19 116.94 118.13 1xmi h PHE 405 Ca 0.09 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.86 1xmi h PHE 405 Cb 0.08 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.04 1xmi h PHE 405 CO -0.03 0.36 -0.18 0.78 -0.18 0.00 0.00 178.31 179.05 1xmi h GLY 406 N 2.52 -0.54 0.89 -1.45 0.00 -1.46 -2.00 103.07 101.04 1xmi h GLY 406 Ca -0.00 0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.56 1xmi h GLY 406 CO 0.05 -0.20 0.64 1.05 0.00 0.00 0.00 176.54 178.09 1xmi h GLU 407 N -0.66 1.20 0.00 4.80 4.11 -1.63 -2.25 114.58 120.15 1xmi h GLU 407 Ca -0.05 -0.07 -0.05 0.00 0.07 0.00 0.00 59.36 59.25 1xmi h GLU 407 Cb 0.48 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1xmi h GLU 407 CO 0.09 0.79 -0.25 -0.07 0.07 0.00 0.00 179.01 179.64 1xmi h LEU 408 N 1.24 0.00 -0.96 3.06 3.38 -1.52 -2.23 115.31 118.28 1xmi h LEU 408 Ca 0.39 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.26 1xmi h LEU 408 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1xmi h LEU 408 CO -0.12 0.25 -0.52 0.15 0.09 0.00 0.00 178.44 178.29 1xmi h PHE 409 N 0.00 0.00 -0.18 1.13 3.57 -0.75 -3.15 116.94 117.57 1xmi h PHE 409 Ca -0.00 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1xmi h PHE 409 Cb 0.48 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 1xmi h PHE 409 CO 0.00 0.52 0.12 0.39 -2.23 0.00 0.00 178.31 177.11 1xmi n GLU 410 N -3.90 1.23 -4.05 1.11 4.71 -0.84 -5.05 120.64 113.85 1xmi n GLU 410 Ca -0.01 -0.54 -0.14 0.00 -0.01 0.00 0.00 57.16 56.46 1xmi n GLU 410 Cb 0.53 -1.21 -0.03 0.00 -1.01 0.00 0.00 31.44 29.72 1xmi n GLU 410 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 1xmi s LYS 411 N -0.60 1.95 0.00 3.49 0.00 -1.19 -5.07 119.74 118.32 1xmi s LYS 411 Ca 0.10 -1.72 0.00 0.00 0.00 0.00 0.00 55.97 54.36 1xmi s LYS 411 Cb 0.09 0.47 0.00 0.00 0.00 0.00 0.00 37.83 38.38 1xmi s LYS 411 CO 0.02 -0.82 0.00 0.45 0.00 0.00 0.00 175.35 174.99 1xmi n SER 429 N -1.41 0.00 -3.81 0.03 2.88 -1.26 -4.92 113.62 105.13 1xmi n SER 429 Ca -0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.45 1xmi n SER 429 Cb 0.61 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.04 1xmi n SER 429 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1xmi s PHE 430 N 0.00 -0.11 0.07 0.66 -0.12 -1.26 -5.19 117.98 112.04 1xmi s PHE 430 Ca 0.00 -0.28 0.00 0.00 -0.05 0.00 0.00 56.93 56.60 1xmi s PHE 430 Cb 0.00 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.88 1xmi s PHE 430 CO 0.00 -1.08 -0.05 0.45 -0.05 0.00 0.00 175.22 174.49 1xmi s SER 431 N -2.91 0.75 -0.41 1.98 0.15 -1.26 -5.13 113.70 106.87 1xmi s SER 431 Ca 0.12 -0.95 0.04 0.00 0.70 0.00 0.00 55.95 55.86 1xmi s SER 431 Cb -0.03 0.14 0.17 0.00 -1.71 0.00 0.00 66.02 64.59 1xmi s SER 431 CO 0.03 -0.51 0.46 0.21 1.20 0.00 0.00 173.24 174.63 1xmi s ASN 432 N -2.82 0.51 0.48 5.45 2.47 -1.26 -5.01 114.94 114.75 1xmi s ASN 432 Ca 0.07 -1.85 0.27 0.00 0.42 0.00 0.00 52.86 51.77 1xmi s ASN 432 Cb 0.05 0.73 0.72 0.00 -1.45 0.00 0.00 41.25 41.30 1xmi s ASN 432 CO -0.07 -0.19 1.75 -0.26 -3.72 0.00 0.00 177.10 174.61 1xmi h PHE 433 N 6.38 0.00 -0.13 0.43 0.04 -1.91 -3.28 116.94 118.47 1xmi h PHE 433 Ca 0.10 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.91 1xmi h PHE 433 Cb 1.05 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 1xmi h PHE 433 CO 0.26 0.01 0.13 0.66 -0.60 0.00 0.00 178.31 178.77 1xmi h SER 434 N 0.00 0.00 0.26 2.17 4.64 -1.90 -2.74 113.55 115.98 1xmi h SER 434 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xmi h SER 434 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1xmi h SER 434 CO 0.00 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.89 1xmi h LEU 435 N 0.00 0.00 -0.69 5.97 3.38 -1.97 -0.82 115.31 121.19 1xmi h LEU 435 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xmi h LEU 435 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1xmi h LEU 435 CO -0.00 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.46 1xmi h LEU 436 N 0.00 0.00 -9.92 1.67 3.38 -1.77 -3.44 115.31 105.23 1xmi h LEU 436 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 1xmi h LEU 436 Cb 0.13 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.75 1xmi h LEU 436 CO 0.00 0.00 -0.54 -0.83 0.09 0.00 0.00 178.44 177.16 1xmi s GLY 437 N -3.63 2.87 -0.06 0.83 0.00 -0.31 -5.15 107.32 101.88 1xmi s GLY 437 Ca 0.05 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.82 1xmi s GLY 437 CO 0.44 -2.17 -0.05 -1.08 0.00 0.00 0.00 173.10 170.24 1xmi s THR 438 N -2.83 0.64 0.32 0.90 -1.32 -1.26 -5.00 115.64 107.09 1xmi s THR 438 Ca 0.14 -0.15 -0.29 0.00 -1.21 0.00 0.00 61.69 60.18 1xmi s THR 438 Cb 0.04 -0.67 -0.10 0.00 -1.51 0.00 0.00 72.50 70.26 1xmi s THR 438 CO 0.07 0.26 1.38 -2.16 -2.21 0.00 0.00 174.62 171.96 1xmi s PRO 439 N 1.10 4.29 0.13 7.08 0.04 -1.26 -4.84 135.00 141.53 1xmi s PRO 439 Ca -0.08 2.31 -0.02 0.00 0.04 0.00 0.00 61.00 63.25 1xmi s PRO 439 Cb -0.14 -3.06 -0.11 0.00 0.04 0.00 0.00 34.50 31.23 1xmi s PRO 439 CO -0.01 -0.31 1.29 -0.24 0.04 0.00 0.00 177.00 177.77 1xmi h VAL 440 N 3.16 1.46 -3.86 -0.36 3.04 -1.50 -3.45 116.25 114.75 1xmi h VAL 440 Ca -0.48 -2.66 -0.45 0.00 -1.01 0.00 0.00 66.70 62.10 1xmi h VAL 440 Cb 1.23 2.56 -0.31 0.00 -2.01 0.00 0.00 31.29 32.76 1xmi h VAL 440 CO 0.68 0.78 -0.79 -0.76 -1.01 0.00 0.00 177.57 176.47 1xmi s LEU 441 N -7.48 1.83 -0.08 3.16 1.43 -1.14 -4.02 118.68 112.38 1xmi s LEU 441 Ca -0.04 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1xmi s LEU 441 Cb 0.09 -0.61 0.03 0.00 0.03 0.00 0.00 46.19 45.72 1xmi s LEU 441 CO 0.86 0.08 -0.02 -0.75 0.23 0.00 0.00 176.35 176.75 1xmi s LYS 442 N 0.13 0.80 -1.25 1.70 2.20 0.74 -0.82 119.74 123.23 1xmi s LYS 442 Ca -0.02 0.02 -0.13 0.00 -0.36 0.00 0.00 55.97 55.48 1xmi s LYS 442 Cb -0.09 -1.07 -0.00 0.00 -1.51 0.00 0.00 37.83 35.16 1xmi s LYS 442 CO 0.01 -0.27 0.63 -3.47 -0.36 0.00 0.00 175.35 171.88 1xmi n ASP 443 N 5.00 -3.10 -4.69 1.43 2.03 0.53 -4.12 116.55 113.63 1xmi n ASP 443 Ca -0.10 -1.03 -0.41 0.00 0.52 0.00 0.00 54.79 53.77 1xmi n ASP 443 Cb 0.50 -3.15 -0.04 0.00 -0.72 0.00 0.00 41.12 37.71 1xmi n ASP 443 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1xmi s ILE 444 N -3.67 4.88 -0.08 5.18 -1.09 -0.19 -4.60 121.20 121.63 1xmi s ILE 444 Ca 0.27 1.79 0.01 0.00 -2.23 0.00 0.00 60.65 60.50 1xmi s ILE 444 Cb -0.10 -4.20 0.02 0.00 -1.58 0.00 0.00 42.46 36.59 1xmi s ILE 444 CO 0.88 0.09 -0.11 0.20 -1.23 0.00 0.00 174.94 174.77 1xmi s ASN 445 N 1.05 1.85 -0.06 3.58 0.01 -1.26 -2.21 114.94 117.90 1xmi s ASN 445 Ca 0.43 -0.30 -0.30 0.00 -0.71 0.00 0.00 52.86 51.99 1xmi s ASN 445 Cb -0.18 -0.82 0.11 0.00 0.41 0.00 0.00 41.25 40.77 1xmi s ASN 445 CO 0.18 -0.01 0.96 0.72 -1.51 0.00 0.00 177.10 177.43 1xmi s PHE 446 N 0.96 -0.31 -0.05 2.20 -0.12 -0.50 -4.96 117.98 115.20 1xmi s PHE 446 Ca -0.09 0.24 -0.02 0.00 -0.05 0.00 0.00 56.93 57.01 1xmi s PHE 446 Cb -0.15 0.52 0.03 0.00 -0.63 0.00 0.00 43.02 42.80 1xmi s PHE 446 CO 0.00 -0.46 0.08 0.21 -0.05 0.00 0.00 175.22 175.00 1xmi s LYS 447 N -2.76 -0.04 -0.15 1.99 2.20 -1.26 -0.24 119.74 119.48 1xmi s LYS 447 Ca 0.05 0.39 0.02 0.00 -0.36 0.00 0.00 55.97 56.06 1xmi s LYS 447 Cb -0.01 -0.39 0.01 0.00 -1.51 0.00 0.00 37.83 35.93 1xmi s LYS 447 CO -0.07 -0.29 -0.20 -1.50 -0.36 0.00 0.00 175.35 172.93 1xmi s ILE 448 N 1.95 2.19 0.75 5.43 1.10 0.31 -5.01 121.20 127.92 1xmi s ILE 448 Ca 0.01 -0.93 -0.11 0.00 -0.51 0.00 0.00 60.65 59.12 1xmi s ILE 448 Cb -0.12 -1.90 0.04 0.00 0.15 0.00 0.00 42.46 40.63 1xmi s ILE 448 CO -0.04 0.54 1.08 -1.61 -2.11 0.00 0.00 174.94 172.80 1xmi s GLU 449 N 0.93 2.51 0.14 3.50 2.02 -1.26 -1.67 118.70 124.87 1xmi s GLU 449 Ca -0.04 0.70 -0.35 0.00 0.02 0.00 0.00 54.97 55.31 1xmi s GLU 449 Cb -0.15 -1.96 -0.15 0.00 0.10 0.00 0.00 34.13 31.97 1xmi s GLU 449 CO -0.04 -1.34 1.48 0.54 0.02 0.00 0.00 175.26 175.92 1xmi n ARG 450 N -3.25 1.78 -0.79 1.61 1.74 -1.26 -2.09 116.66 114.40 1xmi n ARG 450 Ca 0.07 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 1xmi n ARG 450 Cb 0.56 -2.36 0.00 0.00 -1.02 0.00 0.00 32.46 29.64 1xmi n ARG 450 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xmi n GLY 451 N 3.03 0.87 3.89 -0.13 0.00 -1.26 -4.88 105.19 106.73 1xmi n GLY 451 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1xmi n GLY 451 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xmi s GLN 452 N -0.21 3.65 -0.24 1.61 -0.21 -0.89 -4.32 119.66 119.05 1xmi s GLN 452 Ca 0.00 0.26 -0.09 0.00 0.02 0.00 0.00 55.36 55.56 1xmi s GLN 452 Cb 0.00 -2.43 -0.04 0.00 1.00 0.00 0.00 33.01 31.54 1xmi s GLN 452 CO 0.00 -0.07 0.11 -1.17 -2.12 0.00 0.00 175.29 172.04 1xmi s LEU 453 N -4.22 3.75 -0.25 2.90 2.96 -1.26 -1.65 118.68 120.92 1xmi s LEU 453 Ca 0.48 -0.05 -0.07 0.00 -0.22 0.00 0.00 54.13 54.27 1xmi s LEU 453 Cb -0.10 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 1xmi s LEU 453 CO 0.37 0.03 0.07 -0.22 -1.32 0.00 0.00 176.35 175.27 1xmi s LEU 454 N 1.27 3.44 -0.15 -0.68 0.20 -0.12 -1.26 118.68 121.38 1xmi s LEU 454 Ca 0.06 -0.25 -0.12 0.00 0.69 0.00 0.00 54.13 54.51 1xmi s LEU 454 Cb -0.14 -1.91 -0.05 0.00 -0.43 0.00 0.00 46.19 43.66 1xmi s LEU 454 CO 0.05 -0.05 0.23 0.00 -0.29 0.00 0.00 176.35 176.30 1xmi s ALA 455 N 1.60 3.67 -0.14 5.97 0.00 -0.60 -0.30 121.76 131.95 1xmi s ALA 455 Ca 0.06 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.51 1xmi s ALA 455 Cb -0.15 -2.27 0.01 0.00 0.00 0.00 0.00 23.12 20.70 1xmi s ALA 455 CO 0.03 0.21 -0.20 0.08 0.00 0.00 0.00 175.76 175.88 1xmi s VAL 456 N 0.13 2.26 0.17 0.00 1.01 0.37 -0.77 120.40 123.56 1xmi s VAL 456 Ca 0.14 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1xmi s VAL 456 Cb -0.13 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 1xmi s VAL 456 CO 0.03 0.54 -0.02 0.00 0.00 0.00 0.00 175.10 175.65 1xmi s ALA 457 N 0.80 1.41 0.00 5.51 0.00 -0.53 -1.62 121.76 127.32 1xmi s ALA 457 Ca -0.07 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.31 1xmi s ALA 457 Cb -0.16 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.39 1xmi s ALA 457 CO -0.01 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1xmi n GLY 458 N -0.25 3.39 3.69 0.00 0.00 -1.26 -0.53 105.19 110.23 1xmi n GLY 458 Ca -0.07 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 1xmi n GLY 458 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xmi s SER 459 N 0.00 2.49 0.23 1.61 1.04 -1.26 -4.77 113.70 113.05 1xmi s SER 459 Ca 0.00 1.03 -0.31 0.00 0.48 0.00 0.00 55.95 57.15 1xmi s SER 459 Cb 0.00 -1.60 -0.14 0.00 0.10 0.00 0.00 66.02 64.38 1xmi s SER 459 CO 0.00 -3.20 1.33 1.07 0.98 0.00 0.00 173.24 173.42 1xmi n THR 460 N -4.20 1.06 -0.99 2.02 5.66 -1.25 -1.85 114.28 114.73 1xmi n THR 460 Ca 0.07 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1xmi n THR 460 Cb 0.58 -1.33 0.00 0.00 -1.55 0.00 0.00 70.33 68.03 1xmi n THR 460 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xmi n GLY 461 N 1.99 0.74 0.27 1.09 0.00 -1.26 -4.92 105.19 103.10 1xmi n GLY 461 Ca 0.12 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.29 1xmi n GLY 461 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmi h ALA 462 N 0.00 1.03 0.00 4.61 0.00 -1.70 -3.43 119.26 119.76 1xmi h ALA 462 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xmi h ALA 462 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xmi h ALA 462 CO 0.00 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.74 1xmi n GLY 463 N -0.04 1.52 0.24 0.00 0.00 -1.26 -1.02 105.19 104.62 1xmi n GLY 463 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1xmi n GLY 463 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xmi h LYS 464 N 0.15 -0.51 -0.86 1.61 1.57 -1.91 -0.69 116.57 115.93 1xmi h LYS 464 Ca 0.00 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1xmi h LYS 464 Cb 0.00 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 1xmi h LYS 464 CO 0.00 -0.23 0.57 1.15 -0.57 0.00 0.00 179.45 180.36 1xmi h THR 465 N -0.73 1.22 -0.94 -0.16 2.02 -2.00 -2.78 112.91 109.54 1xmi h THR 465 Ca -0.05 -0.41 0.07 0.00 0.77 0.00 0.00 66.41 66.78 1xmi h THR 465 Cb 0.51 -0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 66.81 1xmi h THR 465 CO 0.09 0.22 0.61 0.28 0.37 0.00 0.00 175.52 177.09 1xmi h SER 466 N 1.17 0.95 -0.40 4.18 0.02 -1.94 0.62 113.55 118.15 1xmi h SER 466 Ca 0.32 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.28 1xmi h SER 466 Cb -0.13 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 1xmi h SER 466 CO -0.07 0.61 0.26 0.25 -1.14 0.00 0.00 176.83 176.74 1xmi h LEU 467 N 1.08 0.45 -0.64 5.07 5.85 -0.85 -0.73 115.31 125.55 1xmi h LEU 467 Ca 0.41 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.12 1xmi h LEU 467 Cb 0.20 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1xmi h LEU 467 CO -0.16 0.33 0.42 -0.07 -0.34 0.00 0.00 178.44 178.62 1xmi h LEU 468 N 0.54 0.74 -1.52 2.25 4.07 -1.16 -2.19 115.31 118.03 1xmi h LEU 468 Ca 0.15 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 1xmi h LEU 468 Cb -0.05 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.48 1xmi h LEU 468 CO -0.04 0.54 0.19 0.24 -1.08 0.00 0.00 178.44 178.30 1xmi h MET 469 N 0.87 0.51 -0.29 1.13 2.86 -0.45 -1.24 114.93 118.32 1xmi h MET 469 Ca 0.23 -0.05 -0.15 0.00 -2.06 0.00 0.00 59.70 57.67 1xmi h MET 469 Cb -0.09 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.46 1xmi h MET 469 CO -0.05 0.39 -0.41 1.98 1.06 0.00 0.00 176.91 179.88 1xmi h MET 470 N 0.52 0.79 -0.72 1.72 1.85 -0.81 0.45 114.93 118.73 1xmi h MET 470 Ca 0.13 -0.46 0.00 0.00 -0.61 0.00 0.00 59.70 58.77 1xmi h MET 470 Cb 0.04 0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.07 1xmi h MET 470 CO -0.02 1.09 0.46 0.82 -0.40 0.00 0.00 176.91 178.86 1xmi h ILE 471 N 0.55 1.19 -0.00 1.77 2.04 -0.94 -2.32 117.51 119.81 1xmi h ILE 471 Ca 0.03 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1xmi h ILE 471 Cb 1.00 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1xmi h ILE 471 CO 0.10 0.19 -0.05 0.23 0.00 0.00 0.00 178.15 178.62 1xmi n MET 472 N -4.41 0.10 -0.61 2.37 2.81 -0.51 -4.93 117.12 111.94 1xmi n MET 472 Ca 0.08 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1xmi n MET 472 Cb 0.05 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 1xmi n MET 472 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xmi n GLY 473 N 1.45 0.71 0.10 3.03 0.00 -0.18 -4.92 105.19 105.38 1xmi n GLY 473 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 1xmi n GLY 473 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xmi h GLU 474 N 2.44 0.06 -5.65 1.61 4.39 -1.24 -3.43 114.58 112.75 1xmi h GLU 474 Ca 0.00 -0.07 -0.67 0.00 0.34 0.00 0.00 59.36 58.95 1xmi h GLU 474 Cb 0.00 0.02 -0.27 0.00 -0.10 0.00 0.00 28.75 28.40 1xmi h GLU 474 CO 0.00 0.91 -0.79 -1.17 -1.16 0.00 0.00 179.01 176.80 1xmi s LEU 475 N -7.11 2.59 -0.04 1.33 2.96 -1.16 -4.98 118.68 112.27 1xmi s LEU 475 Ca -0.01 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 1xmi s LEU 475 Cb 0.10 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.21 1xmi s LEU 475 CO 0.81 0.22 -0.08 -1.61 -1.32 0.00 0.00 176.35 174.37 1xmi s GLU 476 N 0.02 2.65 0.32 1.98 2.02 -1.26 -4.24 118.70 120.18 1xmi s GLU 476 Ca -0.05 -0.62 -0.28 0.00 0.02 0.00 0.00 54.97 54.03 1xmi s GLU 476 Cb -0.15 -2.53 -0.10 0.00 0.10 0.00 0.00 34.13 31.46 1xmi s GLU 476 CO 0.04 0.64 1.16 -1.25 0.02 0.00 0.00 175.26 175.87 1xmi s PRO 477 N -1.01 4.44 0.03 0.39 0.04 -1.26 -4.26 135.00 133.38 1xmi s PRO 477 Ca 0.14 1.89 0.22 0.00 0.04 0.00 0.00 61.00 63.30 1xmi s PRO 477 Cb -0.11 -3.03 -0.06 0.00 0.04 0.00 0.00 34.50 31.34 1xmi s PRO 477 CO 0.03 0.00 0.91 0.43 0.04 0.00 0.00 177.00 178.42 1xmi n SER 478 N 0.82 0.57 -3.64 6.66 7.64 0.60 -4.95 113.62 121.32 1xmi n SER 478 Ca 0.00 -0.28 -0.15 0.00 1.01 0.00 0.00 58.87 59.45 1xmi n SER 478 Cb 0.45 1.02 -0.08 0.00 -1.01 0.00 0.00 64.21 64.59 1xmi n SER 478 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1xmi s GLU 479 N -3.23 0.81 0.04 1.43 2.12 -1.11 -4.84 118.70 113.92 1xmi s GLU 479 Ca 0.02 0.32 0.00 0.00 0.36 0.00 0.00 54.97 55.67 1xmi s GLU 479 Cb 0.14 0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.92 1xmi s GLU 479 CO 0.83 -0.20 0.00 0.41 -0.54 0.00 0.00 175.26 175.76 1xmi n GLY 480 N 1.67 -3.39 3.02 -1.50 0.00 -1.19 -1.55 105.19 102.25 1xmi n GLY 480 Ca -0.18 -2.04 -0.23 0.00 0.00 0.00 0.00 46.02 43.58 1xmi n GLY 480 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xmi s LYS 481 N -0.68 1.41 -0.14 1.61 1.02 0.11 -4.92 119.74 118.16 1xmi s LYS 481 Ca 0.00 -0.37 0.02 0.00 0.02 0.00 0.00 55.97 55.63 1xmi s LYS 481 Cb 0.00 -1.22 0.00 0.00 -0.52 0.00 0.00 37.83 36.09 1xmi s LYS 481 CO 0.00 0.07 -0.19 0.42 -0.92 0.00 0.00 175.35 174.73 1xmi s ILE 482 N 0.49 2.43 -0.13 2.17 1.01 -1.26 -0.74 121.20 125.16 1xmi s ILE 482 Ca -0.10 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.71 1xmi s ILE 482 Cb -0.13 -1.99 0.01 0.00 0.01 0.00 0.00 42.46 40.36 1xmi s ILE 482 CO 0.02 0.53 -0.18 -0.75 0.00 0.00 0.00 174.94 174.57 1xmi s LYS 483 N 0.66 2.56 0.00 2.79 2.20 0.32 -4.98 119.74 123.29 1xmi s LYS 483 Ca -0.09 -0.68 -0.28 0.00 -0.36 0.00 0.00 55.97 54.55 1xmi s LYS 483 Cb -0.16 -2.15 0.10 0.00 -1.51 0.00 0.00 37.83 34.11 1xmi s LYS 483 CO 0.02 -0.07 0.86 -3.38 -0.36 0.00 0.00 175.35 172.42 1xmi s HIS 484 N 0.99 -0.38 0.05 4.03 -3.43 -1.26 -0.72 115.29 114.57 1xmi s HIS 484 Ca -0.05 0.29 -0.01 0.00 -0.80 0.00 0.00 55.06 54.48 1xmi s HIS 484 Cb -0.15 0.53 -0.04 0.00 -1.43 0.00 0.00 32.58 31.49 1xmi s HIS 484 CO -0.03 -0.57 -0.02 -1.54 -2.00 0.00 0.00 174.74 170.58 1xmi s SER 485 N -2.37 0.47 0.00 7.38 1.04 -1.26 -5.09 113.70 113.87 1xmi s SER 485 Ca 0.03 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1xmi s SER 485 Cb -0.01 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1xmi s SER 485 CO -0.08 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.15 1xmi n GLY 486 N 0.12 -1.76 3.78 7.32 0.00 -1.26 -4.69 105.19 108.70 1xmi n GLY 486 Ca -0.14 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 1xmi n GLY 486 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xmi s ARG 487 N 0.00 4.60 -0.11 1.61 0.52 -1.26 -4.88 118.95 119.42 1xmi s ARG 487 Ca 0.00 1.26 -0.03 0.00 -0.52 0.00 0.00 55.73 56.43 1xmi s ARG 487 Cb 0.00 -3.04 -0.03 0.00 0.52 0.00 0.00 34.95 32.40 1xmi s ARG 487 CO 0.00 0.43 0.01 0.42 0.02 0.00 0.00 175.30 176.18 1xmi s ILE 488 N -1.38 4.37 -0.09 1.52 1.01 -1.26 -1.10 121.20 124.26 1xmi s ILE 488 Ca 0.43 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.89 1xmi s ILE 488 Cb -0.21 -2.87 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 1xmi s ILE 488 CO 0.26 0.57 -0.14 -0.55 0.00 0.00 0.00 174.94 175.08 1xmi s SER 489 N -0.49 3.99 -0.10 3.58 0.15 0.46 -4.98 113.70 116.33 1xmi s SER 489 Ca 0.09 -0.28 0.03 0.00 0.70 0.00 0.00 55.95 56.49 1xmi s SER 489 Cb -0.12 -1.28 0.01 0.00 -1.71 0.00 0.00 66.02 62.92 1xmi s SER 489 CO 0.02 0.24 -0.18 0.12 1.20 0.00 0.00 173.24 174.64 1xmi s PHE 490 N -0.11 2.13 -0.23 3.44 5.36 -1.26 0.01 117.98 127.32 1xmi s PHE 490 Ca -0.02 -0.93 -0.03 0.00 -0.96 0.00 0.00 56.93 55.00 1xmi s PHE 490 Cb -0.14 -1.48 0.01 0.00 -0.34 0.00 0.00 43.02 41.07 1xmi s PHE 490 CO 0.04 -0.43 -0.07 0.00 -1.46 0.00 0.00 175.22 173.30 1xmi s SER 492 N 1.40 5.90 0.23 0.00 0.15 -1.26 -0.65 113.70 119.46 1xmi s SER 492 Ca 0.04 0.64 -0.07 0.00 0.70 0.00 0.00 55.95 57.25 1xmi s SER 492 Cb -0.15 -1.84 0.20 0.00 -1.71 0.00 0.00 66.02 62.53 1xmi s SER 492 CO -0.05 -0.77 1.85 1.56 1.20 0.00 0.00 173.24 177.03 1xmi h GLN 493 N 0.16 1.23 -6.13 5.44 4.20 -1.84 -3.40 115.11 114.78 1xmi h GLN 493 Ca -0.46 -0.14 -0.57 0.00 0.06 0.00 0.00 58.65 57.53 1xmi h GLN 493 Cb 1.24 -0.24 -0.05 0.00 0.30 0.00 0.00 27.48 28.72 1xmi h GLN 493 CO 0.60 0.90 0.79 0.12 -0.67 0.00 0.00 178.83 180.57 1xmi s PHE 494 N -5.86 3.24 -0.28 2.96 5.36 -1.26 -5.00 117.98 117.15 1xmi s PHE 494 Ca -0.13 1.36 -0.25 0.00 -0.96 0.00 0.00 56.93 56.96 1xmi s PHE 494 Cb 0.17 -3.32 0.00 0.00 -0.34 0.00 0.00 43.02 39.53 1xmi s PHE 494 CO 0.82 -0.77 0.87 -1.12 -1.46 0.00 0.00 175.22 173.56 1xmi s SER 495 N 1.38 6.81 -0.18 6.13 0.01 -1.26 -5.04 113.70 121.55 1xmi s SER 495 Ca 0.48 0.93 -0.05 0.00 1.31 0.00 0.00 55.95 58.61 1xmi s SER 495 Cb -0.17 -2.45 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 1xmi s SER 495 CO 0.10 -0.62 0.01 0.86 0.41 0.00 0.00 173.24 174.00 1xmi s TRP 496 N 3.03 3.09 -0.18 2.43 -0.00 -1.26 -5.00 118.94 121.05 1xmi s TRP 496 Ca 0.36 -0.25 -0.03 0.00 -0.00 0.00 0.00 56.10 56.18 1xmi s TRP 496 Cb -0.14 -2.05 -0.02 0.00 -0.00 0.00 0.00 33.47 31.26 1xmi s TRP 496 CO 0.10 -0.07 -0.05 0.42 -0.00 0.00 0.00 176.95 177.36 1xmi s ILE 497 N 0.64 3.56 0.33 5.86 -1.09 -1.26 -4.82 121.20 124.42 1xmi s ILE 497 Ca 0.00 -0.45 -0.17 0.00 -2.23 0.00 0.00 60.65 57.79 1xmi s ILE 497 Cb -0.14 -2.58 -0.09 0.00 -1.58 0.00 0.00 42.46 38.07 1xmi s ILE 497 CO 0.02 0.46 0.79 -0.04 -1.23 0.00 0.00 174.94 174.94 1xmi s MET 498 N 0.89 4.11 0.09 2.79 -1.94 -1.26 -2.68 119.30 121.30 1xmi s MET 498 Ca -0.01 0.82 -0.32 0.00 -1.71 0.00 0.00 55.69 54.47 1xmi s MET 498 Cb -0.15 -2.47 -0.11 0.00 2.01 0.00 0.00 34.83 34.11 1xmi s MET 498 CO 0.01 0.16 1.81 -2.30 -0.01 0.00 0.00 175.02 174.70 1xmi n PRO 499 N -0.20 2.58 0.00 2.03 -0.02 -1.26 -4.47 135.00 133.65 1xmi n PRO 499 Ca 0.03 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1xmi n PRO 499 Cb 0.53 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1xmi n PRO 499 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xmi n GLY 500 N 4.15 0.97 3.89 -1.23 0.00 0.29 -4.97 105.19 108.28 1xmi n GLY 500 Ca 0.19 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 1xmi n GLY 500 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xmi s THR 501 N -1.67 2.72 0.21 2.61 -4.23 -1.26 -0.21 115.64 113.82 1xmi s THR 501 Ca 0.00 0.23 -0.08 0.00 -1.18 0.00 0.00 61.69 60.66 1xmi s THR 501 Cb 0.00 -3.23 0.15 0.00 1.34 0.00 0.00 72.50 70.76 1xmi s THR 501 CO 0.00 -0.31 1.78 0.40 -0.54 0.00 0.00 174.62 175.95 1xmi h ILE 502 N -0.87 1.26 -0.47 2.99 2.04 -1.58 0.16 117.51 121.04 1xmi h ILE 502 Ca -0.46 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 64.61 1xmi h ILE 502 Cb 1.29 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1xmi h ILE 502 CO 0.65 0.33 0.30 0.50 0.00 0.00 0.00 178.15 179.92 1xmi h LYS 503 N 1.13 0.62 -0.75 2.37 3.64 -1.86 -1.99 116.57 119.74 1xmi h LYS 503 Ca 0.26 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1xmi h LYS 503 Cb 0.20 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1xmi h LYS 503 CO -0.02 0.43 0.31 0.93 -2.27 0.00 0.00 179.45 178.83 1xmi h GLU 504 N 0.63 1.10 -0.19 1.90 5.08 -1.72 0.33 114.58 121.71 1xmi h GLU 504 Ca 0.17 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1xmi h GLU 504 Cb -0.05 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1xmi h GLU 504 CO -0.03 0.88 -0.19 -0.91 -1.00 0.00 0.00 179.01 177.76 1xmi h ASN 505 N 1.08 0.32 0.06 1.42 2.35 -0.73 0.67 115.58 120.74 1xmi h ASN 505 Ca 0.25 -0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 55.79 1xmi h ASN 505 Cb 0.18 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 1xmi h ASN 505 CO -0.02 0.52 -0.63 0.40 -1.65 0.00 0.00 177.43 176.05 1xmi h ILE 506 N 0.30 1.47 -0.11 2.81 2.04 -0.95 -3.38 117.51 119.69 1xmi h ILE 506 Ca 0.05 -2.38 -0.01 0.00 1.00 0.00 0.00 64.86 63.52 1xmi h ILE 506 Cb 0.51 3.06 -0.00 0.00 -0.74 0.00 0.00 36.82 39.65 1xmi h ILE 506 CO 0.03 0.61 0.02 0.40 0.00 0.00 0.00 178.15 179.21 1xmi h ILE 507 N -0.73 1.22 -6.49 -0.67 1.08 -0.98 -3.39 117.51 107.56 1xmi h ILE 507 Ca -0.14 -0.68 -0.50 0.00 -0.39 0.00 0.00 64.86 63.15 1xmi h ILE 507 Cb 1.34 1.46 -0.04 0.00 -3.07 0.00 0.00 36.82 36.51 1xmi h ILE 507 CO 0.02 0.20 -0.90 0.00 -0.69 0.00 0.00 178.15 176.77 1xmi n ALA 508 N -2.26 -2.11 0.00 1.87 0.00 0.23 -2.32 120.51 115.91 1xmi n ALA 508 Ca -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1xmi n ALA 508 Cb 0.17 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1xmi n ALA 508 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xmi n GLY 509 N -1.97 2.83 3.74 0.00 0.00 -1.26 -5.03 105.19 103.50 1xmi n GLY 509 Ca -0.27 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 1xmi n GLY 509 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xmi s VAL 510 N -2.01 2.20 0.33 1.61 1.01 -0.98 -4.95 120.40 117.61 1xmi s VAL 510 Ca 0.00 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 1xmi s VAL 510 Cb 0.00 -3.06 -0.11 0.00 0.00 0.00 0.00 36.38 33.21 1xmi s VAL 510 CO 0.00 -0.02 1.47 -0.94 0.00 0.00 0.00 175.10 175.61 1xmi s SER 511 N -1.25 6.47 0.22 3.32 1.04 -1.26 -4.93 113.70 117.31 1xmi s SER 511 Ca 0.76 2.91 -0.30 0.00 0.48 0.00 0.00 55.95 59.81 1xmi s SER 511 Cb -0.37 -2.65 -0.09 0.00 0.10 0.00 0.00 66.02 63.00 1xmi s SER 511 CO 0.42 -0.79 1.35 -0.47 0.98 0.00 0.00 173.24 174.72 1xmi s TYR 512 N -0.75 3.18 -0.06 5.02 5.04 -1.26 -5.03 117.35 123.49 1xmi s TYR 512 Ca 0.55 1.16 -0.00 0.00 -2.44 0.00 0.00 57.07 56.34 1xmi s TYR 512 Cb -0.45 -3.67 0.03 0.00 0.35 0.00 0.00 41.96 38.22 1xmi s TYR 512 CO 0.55 -2.12 -0.02 0.34 -1.34 0.00 0.00 175.55 172.96 1xmi s ASP 513 N 0.33 1.18 0.08 4.32 2.15 -1.26 -5.08 116.67 118.39 1xmi s ASP 513 Ca 0.57 -0.09 -0.34 0.00 0.43 0.00 0.00 52.55 53.12 1xmi s ASP 513 Cb -0.38 -0.41 -0.17 0.00 -0.30 0.00 0.00 42.92 41.65 1xmi s ASP 513 CO 0.40 -0.13 1.60 -0.08 -0.17 0.00 0.00 175.17 176.79 1xmi h GLU 514 N 7.74 -0.93 -0.53 4.34 4.57 -1.99 -1.15 114.58 126.64 1xmi h GLU 514 Ca -0.30 0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 57.93 1xmi h GLU 514 Cb 1.14 0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 29.91 1xmi h GLU 514 CO 0.37 -0.62 0.29 -0.92 -1.18 0.00 0.00 179.01 176.95 1xmi h TYR 515 N -0.96 0.73 0.14 0.92 3.20 -1.99 -1.84 116.97 117.17 1xmi h TYR 515 Ca -0.08 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 1xmi h TYR 515 Cb 0.78 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1xmi h TYR 515 CO -0.11 0.54 -0.07 -0.09 -1.64 0.00 0.00 178.16 176.79 1xmi h ARG 516 N 0.71 -0.18 -0.76 1.82 2.43 -1.98 -1.32 114.38 115.09 1xmi h ARG 516 Ca 0.19 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.45 1xmi h ARG 516 Cb 0.05 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.58 1xmi h ARG 516 CO -0.03 -0.05 0.43 -0.92 -1.51 0.00 0.00 179.97 177.89 1xmi h TYR 517 N -0.28 0.79 -0.39 2.20 3.20 -1.08 -1.33 116.97 120.07 1xmi h TYR 517 Ca -0.02 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 1xmi h TYR 517 Cb 0.22 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1xmi h TYR 517 CO -0.04 0.35 -0.09 0.00 -1.64 0.00 0.00 178.16 176.74 1xmi h ARG 518 N 0.76 0.75 -0.92 1.82 2.47 -1.23 -1.95 114.38 116.09 1xmi h ARG 518 Ca 0.35 -0.29 0.09 0.00 -1.26 0.00 0.00 59.98 58.87 1xmi h ARG 518 Cb 0.27 -0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 28.47 1xmi h ARG 518 CO -0.22 0.89 0.56 0.77 0.56 0.00 0.00 179.97 182.54 1xmi h SER 519 N 0.56 0.86 -0.09 7.04 0.02 -0.73 -1.41 113.55 119.80 1xmi h SER 519 Ca 0.10 0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.96 1xmi h SER 519 Cb 0.61 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 63.01 1xmi h SER 519 CO 0.04 0.51 -0.40 0.58 -1.14 0.00 0.00 176.83 176.41 1xmi h VAL 520 N 0.97 1.39 0.00 2.27 2.07 -1.07 -0.53 116.25 121.36 1xmi h VAL 520 Ca 0.42 -1.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.11 1xmi h VAL 520 Cb 0.30 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1xmi h VAL 520 CO -0.22 0.52 -0.35 0.16 0.02 0.00 0.00 177.57 177.70 1xmi h ILE 521 N -0.01 0.96 -0.04 4.57 3.07 -1.29 -0.78 117.51 123.99 1xmi h ILE 521 Ca -0.02 -1.34 -0.02 0.00 1.55 0.00 0.00 64.86 65.02 1xmi h ILE 521 Cb 1.05 1.79 0.00 0.00 -0.27 0.00 0.00 36.82 39.39 1xmi h ILE 521 CO 0.08 0.34 -0.07 0.50 -1.05 0.00 0.00 178.15 177.96 1xmi h LYS 522 N 0.00 0.12 -0.60 0.16 3.64 -1.21 0.40 116.57 119.08 1xmi h LYS 522 Ca -0.00 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1xmi h LYS 522 Cb 0.76 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 1xmi h LYS 522 CO 0.05 0.64 0.24 0.00 -2.27 0.00 0.00 179.45 178.10 1xmi h ALA 523 N 0.48 1.28 -0.53 5.00 0.00 -0.94 -2.46 119.26 122.08 1xmi h ALA 523 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xmi h ALA 523 Cb 0.64 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xmi h ALA 523 CO 0.02 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1xmi n GLN 525 N 1.05 -4.63 -0.02 0.00 6.02 -0.88 -4.89 117.38 114.03 1xmi n GLN 525 Ca 0.18 0.72 0.03 0.00 -0.01 0.00 0.00 57.00 57.92 1xmi n GLN 525 Cb 0.45 -5.40 0.04 0.00 1.02 0.00 0.00 30.24 26.34 1xmi n GLN 525 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1xmi n LEU 526 N -4.04 1.74 -0.14 1.08 4.77 0.13 -4.72 117.00 115.83 1xmi n LEU 526 Ca -0.24 -1.17 -0.06 0.00 -0.03 0.00 0.00 56.01 54.51 1xmi n LEU 526 Cb 0.66 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.75 1xmi n LEU 526 CO 0.64 0.38 1.00 -0.33 -1.33 0.00 0.00 177.39 177.75 1xmi h GLU 527 N 1.32 0.42 0.00 3.23 5.08 -1.90 0.32 114.58 123.06 1xmi h GLU 527 Ca 0.00 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1xmi h GLU 527 Cb 0.35 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1xmi h GLU 527 CO 0.00 0.28 -0.29 0.93 -1.00 0.00 0.00 179.01 178.93 1xmi h GLU 528 N 0.43 0.00 0.00 2.33 5.08 -1.93 -1.93 114.58 118.57 1xmi h GLU 528 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1xmi h GLU 528 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1xmi h GLU 528 CO -0.13 0.29 -0.62 -0.44 -1.00 0.00 0.00 179.01 177.11 1xmi h ASP 529 N 0.00 0.00 0.33 1.42 3.32 -1.71 -3.12 116.42 116.66 1xmi h ASP 529 Ca -0.00 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 1xmi h ASP 529 Cb 0.81 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.36 1xmi h ASP 529 CO 0.04 0.04 -1.69 -0.38 -1.72 0.00 0.00 179.24 175.53 1xmi n ILE 530 N -2.52 0.28 -0.09 0.35 2.08 0.11 -4.47 119.36 115.10 1xmi n ILE 530 Ca 0.02 -0.53 -0.11 0.00 0.56 0.00 0.00 62.75 62.68 1xmi n ILE 530 Cb 0.50 -0.14 -0.10 0.00 -0.75 0.00 0.00 39.64 39.14 1xmi n ILE 530 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1xmi n SER 531 N -2.43 1.93 -2.18 4.38 3.41 -0.75 -2.83 113.62 115.15 1xmi n SER 531 Ca -0.04 -0.06 -0.20 0.00 -0.26 0.00 0.00 58.87 58.31 1xmi n SER 531 Cb 0.59 0.16 -0.05 0.00 -0.26 0.00 0.00 64.21 64.66 1xmi n SER 531 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xmi n LYS 532 N -2.88 2.09 -4.49 4.33 4.01 -1.18 -4.61 118.16 115.42 1xmi n LYS 532 Ca -0.31 -1.76 -0.24 0.00 -0.51 0.00 0.00 58.31 55.48 1xmi n LYS 532 Cb 0.93 -1.91 -0.10 0.00 -0.51 0.00 0.00 35.03 33.44 1xmi n LYS 532 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 1xmi s PHE 533 N -1.17 2.24 0.16 2.13 0.08 -1.26 -4.94 117.98 115.22 1xmi s PHE 533 Ca 0.49 -0.52 -0.20 0.00 0.12 0.00 0.00 56.93 56.83 1xmi s PHE 533 Cb 0.31 -1.21 0.07 0.00 -0.57 0.00 0.00 43.02 41.62 1xmi s PHE 533 CO -0.11 0.53 1.64 0.00 -0.10 0.00 0.00 175.22 177.18 1xmi h ALA 534 N 2.16 0.06 -1.31 5.36 0.00 -1.97 -3.15 119.26 120.41 1xmi h ALA 534 Ca -0.41 0.12 -0.52 0.00 0.00 0.00 0.00 54.91 54.11 1xmi h ALA 534 Cb 1.25 0.44 -0.41 0.00 0.00 0.00 0.00 17.79 19.06 1xmi h ALA 534 CO 0.67 -0.57 -0.87 -0.85 0.00 0.00 0.00 179.25 177.63 1xmi n GLU 535 N -5.36 2.77 0.00 0.00 0.28 -1.26 -5.10 120.64 111.97 1xmi n GLU 535 Ca 0.01 -4.12 0.00 0.00 -0.16 0.00 0.00 57.16 52.89 1xmi n GLU 535 Cb 0.27 -1.96 0.00 0.00 1.43 0.00 0.00 31.44 31.18 1xmi n GLU 535 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1xmi n LYS 536 N -0.38 0.00 -0.18 3.44 0.00 -1.19 -1.77 118.16 118.08 1xmi n LYS 536 Ca 0.30 0.00 0.02 0.00 0.00 0.00 0.00 58.31 58.63 1xmi n LYS 536 Cb 0.72 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.85 1xmi n LYS 536 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1xmi n ASP 537 N 1.02 1.77 -1.20 3.14 5.68 -1.13 -3.60 116.55 122.24 1xmi n ASP 537 Ca 0.00 -2.15 0.12 0.00 -0.50 0.00 0.00 54.79 52.26 1xmi n ASP 537 Cb 0.00 -0.41 0.24 0.00 -1.14 0.00 0.00 41.12 39.81 1xmi n ASP 537 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1xmi n ASN 538 N 0.11 3.58 -4.72 -1.12 3.02 -0.73 -2.62 115.26 112.78 1xmi n ASN 538 Ca 0.07 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.20 1xmi n ASN 538 Cb 0.37 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 1xmi n ASN 538 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1xmi s ILE 539 N -1.39 3.36 -0.09 2.41 1.10 -1.24 -4.83 121.20 120.53 1xmi s ILE 539 Ca 0.41 1.00 -0.27 0.00 -0.51 0.00 0.00 60.65 61.27 1xmi s ILE 539 Cb 0.23 -3.64 -0.02 0.00 0.15 0.00 0.00 42.46 39.18 1xmi s ILE 539 CO 0.32 0.09 0.87 -0.69 -2.11 0.00 0.00 174.94 173.42 1xmi s VAL 540 N 0.95 4.90 0.23 4.00 1.01 -1.26 -3.55 120.40 126.68 1xmi s VAL 540 Ca 0.63 1.78 0.09 0.00 0.00 0.00 0.00 61.98 64.47 1xmi s VAL 540 Cb -0.36 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 1xmi s VAL 540 CO 0.31 0.11 0.00 -0.76 0.00 0.00 0.00 175.10 174.77 1xmi s LEU 541 N 1.49 3.25 0.52 3.92 1.43 0.71 -4.96 118.68 125.05 1xmi s LEU 541 Ca 0.44 -0.53 0.09 0.00 -1.03 0.00 0.00 54.13 53.09 1xmi s LEU 541 Cb -0.18 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.26 1xmi s LEU 541 CO 0.19 0.04 0.65 -0.83 0.23 0.00 0.00 176.35 176.63 1xmi s GLY 542 N -3.37 1.90 0.03 -3.19 0.00 -1.26 -0.55 107.32 100.89 1xmi s GLY 542 Ca 0.30 -1.90 -0.30 0.00 0.00 0.00 0.00 44.72 42.81 1xmi s GLY 542 CO 0.19 -1.69 1.54 1.85 0.00 0.00 0.00 173.10 175.00 1xmi s GLU 543 N -4.50 4.23 0.00 2.90 2.56 -1.26 -2.69 118.70 119.95 1xmi s GLU 543 Ca 0.55 2.15 0.00 0.00 0.00 0.00 0.00 54.97 57.67 1xmi s GLU 543 Cb -0.06 -3.61 0.00 0.00 2.00 0.00 0.00 34.13 32.46 1xmi s GLU 543 CO 0.34 -0.67 0.00 0.41 -0.56 0.00 0.00 175.26 174.78 1xmi n GLY 544 N 3.84 3.23 1.93 -1.50 0.00 -1.09 -4.80 105.19 106.80 1xmi n GLY 544 Ca 0.15 -1.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.14 1xmi n GLY 544 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xmi n GLY 545 N 0.00 -0.02 0.22 -0.02 0.00 -1.09 -4.61 105.19 99.67 1xmi n GLY 545 Ca 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 1xmi n GLY 545 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xmi h ILE 546 N -0.11 1.29 -0.03 -0.61 1.08 -1.87 -3.20 117.51 114.07 1xmi h ILE 546 Ca -0.09 -1.85 0.00 0.00 -0.39 0.00 0.00 64.86 62.53 1xmi h ILE 546 Cb 1.05 1.89 0.00 0.00 -3.07 0.00 0.00 36.82 36.68 1xmi h ILE 546 CO 0.10 0.59 0.00 0.35 -0.69 0.00 0.00 178.15 178.50 1xmi n THR 547 N -4.02 0.04 -4.54 -0.27 -2.24 -1.26 -4.79 114.28 97.20 1xmi n THR 547 Ca -0.06 -0.05 -0.31 0.00 -2.27 0.00 0.00 64.05 61.35 1xmi n THR 547 Cb 0.67 -0.12 -0.11 0.00 -2.10 0.00 0.00 70.33 68.67 1xmi n THR 547 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xmi s LEU 548 N -1.39 2.86 0.83 3.22 1.43 -1.21 -5.13 118.68 119.30 1xmi s LEU 548 Ca 0.20 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 1xmi s LEU 548 Cb 0.10 -1.67 0.09 0.00 0.03 0.00 0.00 46.19 44.74 1xmi s LEU 548 CO 0.16 0.26 1.09 -0.94 0.23 0.00 0.00 176.35 177.15 1xmi s SER 549 N -1.52 3.98 0.33 2.29 1.04 -1.26 -4.88 113.70 113.69 1xmi s SER 549 Ca 0.16 1.70 0.01 0.00 0.48 0.00 0.00 55.95 58.30 1xmi s SER 549 Cb -0.11 -2.38 0.56 0.00 0.10 0.00 0.00 66.02 64.19 1xmi s SER 549 CO 0.07 -2.35 1.96 1.23 0.98 0.00 0.00 173.24 175.14 1xmi h GLY 550 N -1.35 0.92 1.35 7.32 0.00 -1.92 -1.99 103.07 107.41 1xmi h GLY 550 Ca -0.46 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 46.37 1xmi h GLY 550 CO 0.52 0.37 -0.22 -1.33 0.00 0.00 0.00 176.54 175.89 1xmi h GLY 551 N 0.92 0.81 0.93 4.60 0.00 -1.81 -2.02 103.07 106.50 1xmi h GLY 551 Ca 0.23 -0.68 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 1xmi h GLY 551 CO -0.04 0.62 0.03 1.46 0.00 0.00 0.00 176.54 178.61 1xmi h GLN 552 N 0.66 0.66 -0.70 4.80 4.20 -1.83 -2.23 115.11 120.66 1xmi h GLN 552 Ca 0.09 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 1xmi h GLN 552 Cb 0.72 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 1xmi h GLN 552 CO 0.05 0.74 0.25 0.00 -0.67 0.00 0.00 178.83 179.20 1xmi h ARG 553 N 0.49 1.06 -0.51 1.46 3.08 -1.30 -0.73 114.38 117.92 1xmi h ARG 553 Ca 0.11 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 1xmi h ARG 553 Cb 0.42 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1xmi h ARG 553 CO 0.01 0.89 0.07 0.00 -1.07 0.00 0.00 179.97 179.87 1xmi h ALA 554 N 1.24 0.68 -0.10 0.04 0.00 -1.30 -0.76 119.26 119.06 1xmi h ALA 554 Ca 0.23 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1xmi h ALA 554 Cb 0.25 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xmi h ALA 554 CO -0.01 0.43 -0.71 0.00 0.00 0.00 0.00 179.25 178.96 1xmi h ARG 555 N 0.73 0.46 -0.41 0.00 3.08 -1.17 -0.85 114.38 116.23 1xmi h ARG 555 Ca 0.15 -0.36 -0.13 0.00 0.07 0.00 0.00 59.98 59.71 1xmi h ARG 555 Cb 0.42 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1xmi h ARG 555 CO 0.01 0.99 -0.26 0.82 -1.07 0.00 0.00 179.97 180.46 1xmi h ILE 556 N 0.32 1.28 -0.49 2.04 2.04 -1.11 -0.92 117.51 120.67 1xmi h ILE 556 Ca -0.03 -1.42 -0.01 0.00 1.00 0.00 0.00 64.86 64.41 1xmi h ILE 556 Cb 1.28 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 1xmi h ILE 556 CO 0.12 0.48 0.28 -1.28 0.00 0.00 0.00 178.15 177.75 1xmi h SER 557 N 0.71 0.59 -0.50 1.72 0.87 -1.00 -0.71 113.55 115.24 1xmi h SER 557 Ca 0.08 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 1xmi h SER 557 Cb 0.83 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.62 1xmi h SER 557 CO 0.07 0.49 0.11 0.25 -0.53 0.00 0.00 176.83 177.23 1xmi h LEU 558 N 0.65 0.77 -0.61 2.23 5.85 -1.14 -2.87 115.31 120.20 1xmi h LEU 558 Ca 0.17 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.70 1xmi h LEU 558 Cb 0.02 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 1xmi h LEU 558 CO -0.03 0.81 0.33 0.00 -0.34 0.00 0.00 178.44 179.21 1xmi h ALA 559 N 0.99 0.80 -1.00 1.25 0.00 -0.80 -0.90 119.26 119.59 1xmi h ALA 559 Ca 0.16 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1xmi h ALA 559 Cb 0.35 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1xmi h ALA 559 CO 0.00 0.01 0.65 -0.09 0.00 0.00 0.00 179.25 179.82 1xmi h ARG 560 N 0.63 1.21 -0.13 0.00 2.43 -1.08 0.12 114.38 117.56 1xmi h ARG 560 Ca 0.27 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 59.20 1xmi h ARG 560 Cb 0.15 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1xmi h ARG 560 CO -0.16 0.80 -0.62 0.00 -1.51 0.00 0.00 179.97 178.48 1xmi h ALA 561 N 1.42 0.69 0.00 2.80 0.00 -1.13 -3.19 119.26 119.85 1xmi h ALA 561 Ca 0.41 -0.55 -0.21 0.00 0.00 0.00 0.00 54.91 54.56 1xmi h ALA 561 Cb 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1xmi h ALA 561 CO -0.14 0.72 -1.20 0.28 0.00 0.00 0.00 179.25 178.91 1xmi h VAL 562 N 0.33 1.07 -0.54 0.00 2.07 -0.91 -3.29 116.25 114.98 1xmi h VAL 562 Ca -0.01 -2.72 -0.07 0.00 0.82 0.00 0.00 66.70 64.72 1xmi h VAL 562 Cb 1.16 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 33.40 1xmi h VAL 562 CO 0.11 0.61 0.07 0.22 0.02 0.00 0.00 177.57 178.60 1xmi h TYR 563 N 0.00 0.92 -3.00 1.57 3.20 -0.79 -3.43 116.97 115.45 1xmi h TYR 563 Ca -0.12 -0.11 -0.52 0.00 3.14 0.00 0.00 58.73 61.11 1xmi h TYR 563 Cb 1.74 -0.26 0.06 0.00 1.54 0.00 0.00 36.73 39.80 1xmi h TYR 563 CO 0.00 0.80 0.88 0.21 -1.64 0.00 0.00 178.16 178.41 1xmi s LYS 564 N -5.10 4.19 -0.32 1.82 2.20 -1.21 -4.97 119.74 116.35 1xmi s LYS 564 Ca -0.10 2.44 -0.26 0.00 -0.36 0.00 0.00 55.97 57.68 1xmi s LYS 564 Cb 0.15 -3.11 0.01 0.00 -1.51 0.00 0.00 37.83 33.37 1xmi s LYS 564 CO 0.82 -0.60 0.94 0.34 -0.36 0.00 0.00 175.35 176.48 1xmi s ASP 565 N 0.87 6.79 0.15 1.43 3.68 -1.26 -5.01 116.67 123.32 1xmi s ASP 565 Ca 0.68 0.83 -0.01 0.00 2.13 0.00 0.00 52.55 56.17 1xmi s ASP 565 Cb -0.45 -2.48 -0.04 0.00 -1.45 0.00 0.00 42.92 38.50 1xmi s ASP 565 CO 0.37 -0.77 0.07 0.00 0.13 0.00 0.00 175.17 174.96 1xmi s ALA 566 N 3.35 0.97 -0.24 3.66 0.00 -1.26 -4.97 121.76 123.27 1xmi s ALA 566 Ca 0.39 -1.53 0.21 0.00 0.00 0.00 0.00 51.96 51.03 1xmi s ALA 566 Cb -0.13 0.94 0.04 0.00 0.00 0.00 0.00 23.12 23.98 1xmi s ALA 566 CO 0.15 -0.49 1.15 -0.44 0.00 0.00 0.00 175.76 176.12 1xmi h ASP 567 N 2.80 0.00 -3.22 0.00 3.32 -1.26 -3.44 116.42 114.62 1xmi h ASP 567 Ca -0.35 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.49 1xmi h ASP 567 Cb 1.21 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.45 1xmi h ASP 567 CO 0.58 0.16 -0.51 -0.22 -1.72 0.00 0.00 179.24 177.53 1xmi s LEU 568 N -5.71 0.23 -0.17 1.55 2.96 -0.71 -2.55 118.68 114.28 1xmi s LEU 568 Ca 0.01 0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 54.40 1xmi s LEU 568 Cb 0.08 0.67 -0.02 0.00 0.50 0.00 0.00 46.19 47.42 1xmi s LEU 568 CO 0.77 -0.19 -0.05 -0.31 -1.32 0.00 0.00 176.35 175.25 1xmi s TYR 569 N 1.61 2.96 -0.27 5.38 1.51 -0.76 -0.40 117.35 127.39 1xmi s TYR 569 Ca -0.06 -0.53 -0.02 0.00 -1.01 0.00 0.00 57.07 55.46 1xmi s TYR 569 Cb -0.11 -1.98 0.03 0.00 -0.11 0.00 0.00 41.96 39.79 1xmi s TYR 569 CO -0.08 -0.21 -0.04 -0.51 -1.11 0.00 0.00 175.55 173.60 1xmi s LEU 570 N 0.68 3.44 -0.37 -1.29 1.43 0.10 -0.78 118.68 121.89 1xmi s LEU 570 Ca -0.03 -1.01 0.01 0.00 -1.03 0.00 0.00 54.13 52.07 1xmi s LEU 570 Cb -0.15 -1.68 0.11 0.00 0.03 0.00 0.00 46.19 44.50 1xmi s LEU 570 CO 0.02 -0.17 0.13 -0.76 0.23 0.00 0.00 176.35 175.79 1xmi s LEU 571 N 1.30 5.00 -0.97 1.79 2.01 0.50 -0.41 118.68 127.90 1xmi s LEU 571 Ca -0.02 -2.10 -0.19 0.00 0.01 0.00 0.00 54.13 51.83 1xmi s LEU 571 Cb -0.18 -1.73 0.12 0.00 0.01 0.00 0.00 46.19 44.42 1xmi s LEU 571 CO -0.03 -0.46 1.21 -0.62 1.01 0.00 0.00 176.35 177.46 1xmi s ASP 572 N 1.34 6.65 -1.04 2.29 -1.08 0.17 -0.58 116.67 124.42 1xmi s ASP 572 Ca 0.10 -2.04 -0.18 0.00 -0.52 0.00 0.00 52.55 49.91 1xmi s ASP 572 Cb -0.21 -2.43 0.01 0.00 -1.46 0.00 0.00 42.92 38.84 1xmi s ASP 572 CO -0.06 -1.11 0.69 -0.24 0.52 0.00 0.00 175.17 174.97 1xmi n SER 573 N 6.87 -4.95 -0.03 -0.34 2.88 -0.74 -3.11 113.62 114.19 1xmi n SER 573 Ca 0.27 -1.04 0.15 0.00 -1.33 0.00 0.00 58.87 56.92 1xmi n SER 573 Cb 0.49 -2.38 0.73 0.00 -0.75 0.00 0.00 64.21 62.29 1xmi n SER 573 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1xmi n PRO 574 N -3.85 0.51 -0.02 -1.46 -0.04 -1.26 -3.83 135.00 125.05 1xmi n PRO 574 Ca -0.16 -0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.34 1xmi n PRO 574 Cb 0.60 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.66 1xmi n PRO 574 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xmi n PHE 575 N -1.19 0.06 0.30 0.54 3.72 -1.26 -4.67 117.46 114.96 1xmi n PHE 575 Ca 0.15 -0.04 0.19 0.00 -0.05 0.00 0.00 57.45 57.70 1xmi n PHE 575 Cb 0.25 -0.00 0.97 0.00 -0.94 0.00 0.00 39.48 39.75 1xmi n PHE 575 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1xmi h GLY 576 N 3.85 0.00 -2.00 1.37 0.00 -1.97 -0.43 103.07 103.89 1xmi h GLY 576 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xmi h GLY 576 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 1xmi n TYR 577 N -2.87 0.66 -4.06 5.60 0.53 -1.26 -4.93 117.16 110.83 1xmi n TYR 577 Ca -0.02 -0.44 -0.27 0.00 -1.02 0.00 0.00 57.90 56.15 1xmi n TYR 577 Cb 0.11 -0.01 -0.05 0.00 -1.03 0.00 0.00 39.34 38.36 1xmi n TYR 577 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1xmi s LEU 578 N -1.06 3.85 0.79 7.72 1.02 -0.17 -3.63 118.68 127.19 1xmi s LEU 578 Ca 0.36 -0.07 -0.11 0.00 0.02 0.00 0.00 54.13 54.32 1xmi s LEU 578 Cb 0.19 -2.47 0.06 0.00 0.02 0.00 0.00 46.19 43.99 1xmi s LEU 578 CO 0.25 0.09 1.09 1.51 0.02 0.00 0.00 176.35 179.31 1xmi s ASP 579 N -2.93 4.54 0.17 2.29 1.47 -1.26 -4.82 116.67 116.12 1xmi s ASP 579 Ca 0.31 1.50 -0.19 0.00 1.18 0.00 0.00 52.55 55.34 1xmi s ASP 579 Cb -0.11 -2.25 0.10 0.00 -0.34 0.00 0.00 42.92 40.32 1xmi s ASP 579 CO 0.23 -1.96 1.63 0.58 0.68 0.00 0.00 175.17 176.33 1xmi h VAL 580 N -1.08 0.39 -0.69 2.11 2.07 -1.94 -1.78 116.25 115.33 1xmi h VAL 580 Ca -0.46 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 1xmi h VAL 580 Cb 1.25 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1xmi h VAL 580 CO 0.57 0.00 0.17 -0.07 0.02 0.00 0.00 177.57 178.25 1xmi h LEU 581 N -0.13 1.04 -0.41 2.57 3.38 -2.00 -1.30 115.31 118.46 1xmi h LEU 581 Ca 0.20 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1xmi h LEU 581 Cb 0.44 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1xmi h LEU 581 CO -0.50 1.00 -0.10 0.74 0.09 0.00 0.00 178.44 179.67 1xmi h THR 582 N 1.05 1.27 -0.47 0.22 2.02 -1.88 -2.10 112.91 113.03 1xmi h THR 582 Ca 0.22 -1.20 0.05 0.00 0.77 0.00 0.00 66.41 66.25 1xmi h THR 582 Cb 0.37 1.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.92 1xmi h THR 582 CO 0.00 0.40 0.19 -0.08 0.37 0.00 0.00 175.52 176.41 1xmi h GLU 583 N 0.62 0.37 -0.53 6.66 4.81 -1.02 -0.38 114.58 125.11 1xmi h GLU 583 Ca 0.10 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1xmi h GLU 583 Cb 0.63 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 1xmi h GLU 583 CO 0.04 0.25 0.33 0.87 -0.73 0.00 0.00 179.01 179.76 1xmi h LYS 584 N 0.38 0.71 -0.38 1.92 1.57 -1.11 -0.08 116.57 119.58 1xmi h LYS 584 Ca 0.22 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.81 1xmi h LYS 584 Cb 0.19 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1xmi h LYS 584 CO -0.20 0.50 -0.27 0.93 -0.57 0.00 0.00 179.45 179.84 1xmi h GLU 585 N 0.71 0.85 0.01 3.15 5.08 -1.11 -2.56 114.58 120.70 1xmi h GLU 585 Ca 0.19 -0.41 -0.23 0.00 -1.00 0.00 0.00 59.36 57.91 1xmi h GLU 585 Cb -0.03 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1xmi h GLU 585 CO -0.04 1.05 -0.96 0.82 -1.00 0.00 0.00 179.01 178.88 1xmi h ILE 586 N 0.65 1.39 -0.62 3.13 2.04 -0.98 0.27 117.51 123.39 1xmi h ILE 586 Ca 0.07 -2.45 0.08 0.00 1.00 0.00 0.00 64.86 63.56 1xmi h ILE 586 Cb 0.84 2.44 -0.07 0.00 -0.74 0.00 0.00 36.82 39.29 1xmi h ILE 586 CO 0.07 0.73 0.27 0.15 0.00 0.00 0.00 178.15 179.37 1xmi h PHE 587 N 0.24 0.48 0.24 1.37 3.04 -1.04 0.28 116.94 121.54 1xmi h PHE 587 Ca -0.09 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.88 1xmi h PHE 587 Cb 1.61 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 40.00 1xmi h PHE 587 CO 0.06 0.16 -0.11 1.49 -2.02 0.00 0.00 178.31 177.89 1xmi h GLU 588 N 0.48 -0.31 -0.25 1.11 4.57 -1.32 -0.52 114.58 118.35 1xmi h GLU 588 Ca 0.30 0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 58.35 1xmi h GLU 588 Cb 0.33 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1xmi h GLU 588 CO -0.27 0.05 -0.46 0.66 -1.18 0.00 0.00 179.01 177.81 1xmi h SER 589 N -0.74 0.70 0.00 1.04 4.64 -0.87 -1.66 113.55 116.66 1xmi h SER 589 Ca -0.03 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1xmi h SER 589 Cb 0.50 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1xmi h SER 589 CO 0.05 1.05 -0.34 0.00 -0.87 0.00 0.00 176.83 176.72 1xmi h VAL 591 N -0.49 1.29 0.01 0.00 2.07 -1.41 -1.35 116.25 116.37 1xmi h VAL 591 Ca 0.00 -1.55 -0.32 0.00 0.82 0.00 0.00 66.70 65.66 1xmi h VAL 591 Cb 0.34 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1xmi h VAL 591 CO 0.00 0.50 -1.89 0.00 0.02 0.00 0.00 177.57 176.19 1xmi n LYS 593 N -3.01 0.33 -0.08 0.00 5.02 -0.63 -3.92 118.16 115.87 1xmi n LYS 593 Ca -0.22 0.13 0.02 0.00 -2.02 0.00 0.00 58.31 56.22 1xmi n LYS 593 Cb 1.08 -1.05 0.34 0.00 -0.02 0.00 0.00 35.03 35.37 1xmi n LYS 593 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1xmi h LEU 594 N -0.62 0.62 -3.06 -0.35 5.85 -1.18 -2.66 115.31 113.92 1xmi h LEU 594 Ca 0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1xmi h LEU 594 Cb 0.62 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1xmi h LEU 594 CO 0.00 0.48 0.00 0.23 -0.34 0.00 0.00 178.44 178.81 1xmi n MET 595 N -4.43 3.25 -0.38 1.25 2.81 -0.52 -4.78 117.12 114.32 1xmi n MET 595 Ca 0.05 -2.62 0.31 0.00 -1.81 0.00 0.00 57.70 53.63 1xmi n MET 595 Cb 0.07 -1.68 0.58 0.00 -0.71 0.00 0.00 33.22 31.48 1xmi n MET 595 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xmi h ALA 596 N 3.03 2.38 -0.11 3.04 0.00 -1.59 -0.84 119.26 125.18 1xmi h ALA 596 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1xmi h ALA 596 Cb 1.20 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1xmi h ALA 596 CO 0.14 -1.00 -0.11 0.09 0.00 0.00 0.00 179.25 178.37 1xmi n ASN 597 N -4.86 2.58 -4.54 0.00 4.13 -1.26 -4.80 115.26 106.51 1xmi n ASN 597 Ca 0.34 -3.34 -0.34 0.00 1.68 0.00 0.00 54.58 52.92 1xmi n ASN 597 Cb 1.22 -0.51 -0.11 0.00 -1.54 0.00 0.00 39.78 38.84 1xmi n ASN 597 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1xmi s LYS 598 N -3.00 3.51 0.20 3.52 -0.14 -0.32 -4.28 119.74 119.22 1xmi s LYS 598 Ca 0.37 -0.50 -0.32 0.00 -1.36 0.00 0.00 55.97 54.17 1xmi s LYS 598 Cb 0.33 -2.88 -0.12 0.00 -1.68 0.00 0.00 37.83 33.47 1xmi s LYS 598 CO 0.02 0.35 1.71 2.41 -0.76 0.00 0.00 175.35 179.08 1xmi n THR 599 N 3.20 0.01 -3.80 2.17 -1.04 -1.26 -4.36 114.28 109.22 1xmi n THR 599 Ca -0.18 -0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.71 1xmi n THR 599 Cb 0.53 -1.94 -0.11 0.00 -1.82 0.00 0.00 70.33 66.98 1xmi n THR 599 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xmi s ARG 600 N 1.21 0.33 -0.18 -2.82 1.70 -0.66 -1.83 118.95 116.71 1xmi s ARG 600 Ca 0.76 0.22 0.00 0.00 -0.47 0.00 0.00 55.73 56.24 1xmi s ARG 600 Cb -0.52 0.16 0.01 0.00 -0.57 0.00 0.00 34.95 34.02 1xmi s ARG 600 CO 0.33 -0.05 -0.16 0.42 -1.08 0.00 0.00 175.30 174.76 1xmi s ILE 601 N -0.13 2.46 -0.19 4.99 1.01 0.04 -0.94 121.20 128.43 1xmi s ILE 601 Ca -0.02 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 1xmi s ILE 601 Cb -0.03 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.40 1xmi s ILE 601 CO 0.01 0.51 -0.13 -0.22 0.00 0.00 0.00 174.94 175.11 1xmi s LEU 602 N 1.15 2.47 -0.18 2.97 2.96 0.59 -0.37 118.68 128.26 1xmi s LEU 602 Ca 0.01 -0.53 -0.26 0.00 -0.22 0.00 0.00 54.13 53.13 1xmi s LEU 602 Cb -0.14 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 1xmi s LEU 602 CO -0.07 0.00 0.88 -0.69 -1.32 0.00 0.00 176.35 175.16 1xmi s VAL 603 N 1.32 4.83 0.10 1.68 1.01 0.25 -0.48 120.40 129.12 1xmi s VAL 603 Ca 0.04 1.73 -0.19 0.00 0.00 0.00 0.00 61.98 63.56 1xmi s VAL 603 Cb -0.14 -4.18 0.05 0.00 0.00 0.00 0.00 36.38 32.11 1xmi s VAL 603 CO -0.08 -0.02 0.47 0.28 0.00 0.00 0.00 175.10 175.75 1xmi s THR 604 N 2.39 0.05 -0.03 3.92 -1.32 -0.64 -1.80 115.64 118.20 1xmi s THR 604 Ca 0.40 -0.37 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 1xmi s THR 604 Cb -0.16 -1.06 0.01 0.00 -1.51 0.00 0.00 72.50 69.78 1xmi s THR 604 CO 0.11 -0.21 0.85 -1.54 -2.21 0.00 0.00 174.62 171.62 1xmi n SER 605 N 0.02 1.71 -4.63 8.08 3.41 -1.26 -4.11 113.62 116.83 1xmi n SER 605 Ca -0.17 -1.68 -0.42 0.00 -0.26 0.00 0.00 58.87 56.34 1xmi n SER 605 Cb 0.62 -0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.53 1xmi n SER 605 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xmi s LYS 606 N -0.69 4.06 0.34 4.33 -0.14 -1.26 -4.94 119.74 121.45 1xmi s LYS 606 Ca 0.01 0.84 0.10 0.00 -1.36 0.00 0.00 55.97 55.55 1xmi s LYS 606 Cb 0.00 -3.70 0.85 0.00 -1.68 0.00 0.00 37.83 33.30 1xmi s LYS 606 CO 0.00 -0.68 1.79 1.98 -0.76 0.00 0.00 175.35 177.68 1xmi h MET 607 N 7.95 0.64 -0.89 1.68 4.05 -1.97 -0.31 114.93 126.07 1xmi h MET 607 Ca -0.23 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.15 1xmi h MET 607 Cb 1.08 -0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 31.70 1xmi h MET 607 CO 0.92 0.42 0.55 0.93 0.23 0.00 0.00 176.91 179.96 1xmi h GLU 608 N 0.66 1.19 -0.38 0.39 3.07 -1.99 -0.27 114.58 117.26 1xmi h GLU 608 Ca 0.56 -0.10 -0.10 0.00 -0.50 0.00 0.00 59.36 59.23 1xmi h GLU 608 Cb 1.02 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 28.66 1xmi h GLU 608 CO -0.34 0.83 -0.17 0.45 -1.40 0.00 0.00 179.01 178.38 1xmi h HIS 609 N 1.21 0.77 -0.53 4.33 3.86 -1.48 -2.12 115.15 121.20 1xmi h HIS 609 Ca 0.32 -0.15 -0.11 0.00 -1.16 0.00 0.00 60.37 59.27 1xmi h HIS 609 Cb -0.07 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.18 1xmi h HIS 609 CO -0.00 0.82 -0.09 -0.07 0.86 0.00 0.00 177.93 179.45 1xmi h LEU 610 N 0.62 0.97 -0.91 2.43 4.07 -1.06 -1.91 115.31 119.53 1xmi h LEU 610 Ca 0.10 -0.31 -0.02 0.00 0.08 0.00 0.00 57.88 57.74 1xmi h LEU 610 Cb 0.63 -0.26 -0.04 0.00 1.08 0.00 0.00 40.66 42.07 1xmi h LEU 610 CO 0.04 1.07 0.50 0.50 -1.08 0.00 0.00 178.44 179.48 1xmi h LYS 611 N 0.87 1.26 0.00 1.13 3.64 -0.74 -2.87 116.57 119.87 1xmi h LYS 611 Ca 0.14 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1xmi h LYS 611 Cb 0.64 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1xmi h LYS 611 CO 0.04 0.91 -0.30 -0.22 -2.27 0.00 0.00 179.45 177.61 1xmi h LYS 612 N 1.26 0.00 -7.05 1.90 1.63 -1.29 -3.47 116.57 109.55 1xmi h LYS 612 Ca 0.32 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.59 1xmi h LYS 612 Cb 0.01 0.00 0.10 0.00 -0.60 0.00 0.00 32.23 31.75 1xmi h LYS 612 CO -0.05 0.05 0.53 0.00 -3.45 0.00 0.00 179.45 176.52 1xmi s ALA 613 N -3.22 2.79 0.17 5.00 0.00 -0.73 -4.94 121.76 120.83 1xmi s ALA 613 Ca 0.05 1.10 -0.02 0.00 0.00 0.00 0.00 51.96 53.09 1xmi s ALA 613 Cb 0.06 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.75 1xmi s ALA 613 CO 0.71 -1.07 1.42 -0.44 0.00 0.00 0.00 175.76 176.38 1xmi h ASP 614 N 1.49 0.48 -4.78 0.00 3.32 -1.50 -3.46 116.42 111.98 1xmi h ASP 614 Ca -0.50 -0.32 -0.15 0.00 0.02 0.00 0.00 57.03 56.07 1xmi h ASP 614 Cb 1.28 -0.14 -0.22 0.00 0.22 0.00 0.00 39.33 40.47 1xmi h ASP 614 CO 0.58 1.07 -0.51 -0.54 -1.72 0.00 0.00 179.24 178.12 1xmi s LYS 615 N -3.57 0.42 0.11 3.56 -0.14 -1.03 -4.72 119.74 114.37 1xmi s LYS 615 Ca -0.06 -0.31 0.10 0.00 -1.36 0.00 0.00 55.97 54.34 1xmi s LYS 615 Cb 0.10 0.18 -0.04 0.00 -1.68 0.00 0.00 37.83 36.39 1xmi s LYS 615 CO 0.84 -0.10 -0.24 0.96 -0.76 0.00 0.00 175.35 176.05 1xmi s ILE 616 N -1.15 2.02 -0.19 2.17 -4.36 0.16 -1.56 121.20 118.30 1xmi s ILE 616 Ca -0.12 -1.65 -0.02 0.00 -0.26 0.00 0.00 60.65 58.60 1xmi s ILE 616 Cb -0.07 -1.80 0.05 0.00 1.25 0.00 0.00 42.46 41.89 1xmi s ILE 616 CO 0.01 0.04 -0.00 -0.22 0.24 0.00 0.00 174.94 175.01 1xmi s LEU 617 N -1.95 1.51 -0.26 0.37 0.20 0.05 -2.41 118.68 116.18 1xmi s LEU 617 Ca 0.11 -0.81 -0.15 0.00 0.69 0.00 0.00 54.13 53.97 1xmi s LEU 617 Cb -0.10 -0.77 -0.04 0.00 -0.43 0.00 0.00 46.19 44.86 1xmi s LEU 617 CO 0.05 -0.26 0.37 -0.63 -0.29 0.00 0.00 176.35 175.59 1xmi s ILE 618 N 1.73 5.18 -0.13 6.68 -1.09 0.27 -1.46 121.20 132.38 1xmi s ILE 618 Ca -0.01 0.58 -0.07 0.00 -2.23 0.00 0.00 60.65 58.92 1xmi s ILE 618 Cb -0.17 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 1xmi s ILE 618 CO -0.07 0.17 0.12 -0.76 -1.23 0.00 0.00 174.94 173.17 1xmi s LEU 619 N 1.95 4.27 -0.11 2.97 1.02 0.31 -0.23 118.68 128.86 1xmi s LEU 619 Ca 0.15 0.39 -0.02 0.00 0.02 0.00 0.00 54.13 54.67 1xmi s LEU 619 Cb -0.16 -2.05 0.04 0.00 0.02 0.00 0.00 46.19 44.05 1xmi s LEU 619 CO 0.09 0.37 0.02 -2.28 0.02 0.00 0.00 176.35 174.57 1xmi s HIS 620 N -0.77 0.67 -1.64 0.29 5.65 0.26 -4.28 115.29 115.47 1xmi s HIS 620 Ca 0.13 -0.33 -0.15 0.00 0.25 0.00 0.00 55.06 54.96 1xmi s HIS 620 Cb -0.12 -0.83 0.12 0.00 -1.18 0.00 0.00 32.58 30.58 1xmi s HIS 620 CO 0.03 -0.41 0.77 0.39 -0.65 0.00 0.00 174.74 174.87 1xmi n GLU 621 N 5.15 -3.57 -0.23 2.88 1.02 -1.26 -0.84 120.64 123.79 1xmi n GLU 621 Ca -0.07 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 1xmi n GLU 621 Cb 0.49 -5.08 0.00 0.00 -0.02 0.00 0.00 31.44 26.83 1xmi n GLU 621 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xmi n GLY 622 N -1.53 1.70 3.84 0.62 0.00 -0.19 -4.91 105.19 104.72 1xmi n GLY 622 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1xmi n GLY 622 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xmi s SER 623 N -3.28 5.62 -0.52 1.61 0.01 -0.02 -0.19 113.70 116.94 1xmi s SER 623 Ca 0.00 -0.19 -0.27 0.00 1.31 0.00 0.00 55.95 56.80 1xmi s SER 623 Cb 0.00 -1.47 0.03 0.00 0.21 0.00 0.00 66.02 64.79 1xmi s SER 623 CO 0.00 -0.02 1.05 -0.55 0.41 0.00 0.00 173.24 174.13 1xmi s SER 624 N -3.74 6.47 0.04 2.44 0.15 -1.26 -0.58 113.70 117.22 1xmi s SER 624 Ca 0.33 0.07 -0.15 0.00 0.70 0.00 0.00 55.95 56.90 1xmi s SER 624 Cb -0.08 -2.50 -0.35 0.00 -1.71 0.00 0.00 66.02 61.38 1xmi s SER 624 CO 0.25 -1.26 1.02 0.22 1.20 0.00 0.00 173.24 174.67 1xmi h TYR 625 N 9.31 0.97 -2.36 3.44 5.03 -0.93 -3.47 116.97 128.95 1xmi h TYR 625 Ca -0.25 -0.69 -0.08 0.00 2.58 0.00 0.00 58.73 60.29 1xmi h TYR 625 Cb 1.07 -0.04 -0.23 0.00 1.55 0.00 0.00 36.73 39.08 1xmi h TYR 625 CO 0.95 1.54 -0.06 0.12 -1.32 0.00 0.00 178.16 179.39 1xmi s PHE 626 N -2.65 -0.65 -0.02 -3.82 5.36 -1.11 -4.98 117.98 110.11 1xmi s PHE 626 Ca -0.09 1.55 0.02 0.00 -0.96 0.00 0.00 56.93 57.45 1xmi s PHE 626 Cb 0.04 0.24 0.01 0.00 -0.34 0.00 0.00 43.02 42.97 1xmi s PHE 626 CO 0.94 -0.32 -0.06 -0.47 -1.46 0.00 0.00 175.22 173.86 1xmi s TYR 627 N 0.45 0.64 -4.61 10.12 5.04 -1.26 -0.56 117.35 127.17 1xmi s TYR 627 Ca -0.01 -0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.48 1xmi s TYR 627 Cb -0.04 -0.49 0.00 0.00 0.35 0.00 0.00 41.96 41.78 1xmi s TYR 627 CO -0.01 -0.08 0.00 0.41 -1.34 0.00 0.00 175.55 174.52 1xmi n GLY 628 N 3.40 0.23 3.97 8.97 0.00 -1.01 -5.00 105.19 115.75 1xmi n GLY 628 Ca -0.19 -1.24 -0.21 0.00 0.00 0.00 0.00 46.02 44.38 1xmi n GLY 628 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xmi s THR 629 N -4.00 4.82 0.25 2.61 -4.23 -1.26 0.38 115.64 114.21 1xmi s THR 629 Ca 0.00 -0.91 -0.05 0.00 -1.18 0.00 0.00 61.69 59.55 1xmi s THR 629 Cb 0.00 -3.71 0.18 0.00 1.34 0.00 0.00 72.50 70.32 1xmi s THR 629 CO 0.00 -0.30 1.84 0.15 -0.54 0.00 0.00 174.62 175.76 1xmi h PHE 630 N 1.00 1.11 -0.53 3.99 3.57 -1.88 -2.27 116.94 121.93 1xmi h PHE 630 Ca -0.50 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 60.95 1xmi h PHE 630 Cb 1.24 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 1xmi h PHE 630 CO 0.45 0.82 0.35 0.77 -2.23 0.00 0.00 178.31 178.47 1xmi h SER 631 N 1.09 0.61 -0.46 0.41 0.02 -1.94 0.67 113.55 113.94 1xmi h SER 631 Ca 0.26 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1xmi h SER 631 Cb 0.14 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1xmi h SER 631 CO -0.03 0.44 0.24 -0.33 -1.14 0.00 0.00 176.83 176.00 1xmi h GLU 632 N 0.72 0.66 -0.83 3.45 5.08 -1.92 -0.43 114.58 121.31 1xmi h GLU 632 Ca 0.20 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1xmi h GLU 632 Cb -0.07 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 1xmi h GLU 632 CO -0.05 0.55 0.38 1.25 -1.00 0.00 0.00 179.01 180.14 1xmi h LEU 633 N 0.61 1.10 -0.68 1.33 5.85 -1.13 -1.22 115.31 121.18 1xmi h LEU 633 Ca 0.16 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 1xmi h LEU 633 Cb 0.09 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1xmi h LEU 633 CO -0.02 0.94 -0.20 1.56 -0.34 0.00 0.00 178.44 180.38 1xmi h GLN 634 N 1.19 0.82 -0.31 1.25 4.20 -0.63 0.13 115.11 121.76 1xmi h GLN 634 Ca 0.28 -0.32 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 1xmi h GLN 634 Cb 0.15 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1xmi h GLN 634 CO -0.03 0.95 -0.41 -0.91 -0.67 0.00 0.00 178.83 177.76 1xmi h ASN 635 N 0.72 0.81 -0.02 1.46 2.35 -0.76 -2.41 115.58 117.73 1xmi h ASN 635 Ca 0.10 -0.37 -0.15 0.00 -0.55 0.00 0.00 56.30 55.33 1xmi h ASN 635 Cb 0.71 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.87 1xmi h ASN 635 CO 0.05 1.11 -0.59 -0.07 -1.65 0.00 0.00 177.43 176.29 1xmi h LEU 636 N 0.62 0.54 -6.80 1.61 3.38 -1.22 -3.42 115.31 110.03 1xmi h LEU 636 Ca 0.05 -0.74 -0.61 0.00 0.09 0.00 0.00 57.88 56.67 1xmi h LEU 636 Cb 0.96 -0.16 -0.40 0.00 0.09 0.00 0.00 40.66 41.14 1xmi h LEU 636 CO 0.09 1.21 -0.77 -1.58 0.09 0.00 0.00 178.44 177.48 1xmi s GLN 637 N -3.28 1.51 0.00 1.13 0.74 0.44 -4.94 119.66 115.27 1xmi s GLN 637 Ca -0.13 -2.45 0.12 0.00 0.05 0.00 0.00 55.36 52.95 1xmi s GLN 637 Cb 0.04 -2.35 0.63 0.00 1.10 0.00 0.00 33.01 32.43 1xmi s GLN 637 CO 0.82 -1.28 1.27 -0.35 -0.55 0.00 0.00 175.29 175.20 1xmi n PRO 638 N 2.82 0.21 0.08 1.67 -0.04 -0.91 -1.49 135.00 137.35 1xmi n PRO 638 Ca 0.19 0.14 0.07 0.00 -0.04 0.00 0.00 63.50 63.86 1xmi n PRO 638 Cb 0.39 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.33 1xmi n PRO 638 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1xmi h ASP 639 N 0.00 0.00 -1.03 3.54 3.58 -1.92 -3.41 116.42 117.19 1xmi h ASP 639 Ca 0.00 0.00 0.26 0.00 0.42 0.00 0.00 57.03 57.71 1xmi h ASP 639 Cb 0.09 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.05 1xmi h ASP 639 CO 0.00 0.23 0.67 0.15 -2.88 0.00 0.00 179.24 177.41 1xmi h PHE 640 N 0.00 0.62 -1.16 0.28 3.57 -1.60 0.31 116.94 118.95 1xmi h PHE 640 Ca -0.06 0.02 0.34 0.00 3.53 0.00 0.00 57.97 61.80 1xmi h PHE 640 Cb 1.23 -0.18 -0.10 0.00 2.79 0.00 0.00 35.95 39.69 1xmi h PHE 640 CO 0.00 0.07 0.75 0.77 -2.23 0.00 0.00 178.31 177.68 1xmi h SER 641 N 0.38 0.33 -0.10 0.41 0.02 -1.81 0.11 113.55 112.91 1xmi h SER 641 Ca 0.58 0.10 -0.23 0.00 -0.84 0.00 0.00 61.79 61.40 1xmi h SER 641 Cb 1.49 0.05 0.01 0.00 0.14 0.00 0.00 62.40 64.10 1xmi h SER 641 CO -0.27 -0.02 -0.81 0.77 -1.14 0.00 0.00 176.83 175.36 1xmi h SER 642 N 0.25 0.91 0.54 3.07 4.64 -0.72 -3.14 113.55 119.10 1xmi h SER 642 Ca 0.68 -0.62 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1xmi h SER 642 Cb 1.97 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 1xmi h SER 642 CO -0.32 1.41 0.00 0.50 -0.87 0.00 0.00 176.83 177.56 1xmi h LYS 643 N 0.51 0.00 0.00 4.77 3.64 -0.87 -1.82 116.57 122.79 1xmi h LYS 643 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1xmi h LYS 643 Cb 1.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 1xmi h LYS 643 CO 0.16 0.00 0.00 -0.07 -2.27 0.00 0.00 179.45 177.27 1xmi h LEU 644 N 0.00 0.00 -0.64 5.20 3.38 -1.26 -1.32 115.31 120.67 1xmi h LEU 644 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1xmi h LEU 644 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1xmi h LEU 644 CO 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 178.44 178.00 1xmi h MET 645 N 0.00 0.40 -3.06 1.13 -0.00 -1.47 -3.31 114.93 108.63 1xmi h MET 645 Ca 0.00 -0.24 -0.69 0.00 -0.00 0.00 0.00 59.70 58.77 1xmi h MET 645 Cb 0.40 0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.01 1xmi h MET 645 CO 0.00 0.83 3.48 0.41 -0.00 0.00 0.00 176.91 181.63 1xmi n GLY 646 N 0.17 4.46 0.65 -3.00 0.00 -0.50 -4.26 105.19 102.71 1xmi n GLY 646 Ca -0.02 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1xmi n GLY 646 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmi s ASP 648 N -0.21 1.11 0.14 0.00 2.15 -1.26 -3.84 116.67 114.75 1xmi s ASP 648 Ca 0.00 -0.36 0.04 0.00 0.43 0.00 0.00 52.55 52.66 1xmi s ASP 648 Cb 0.00 0.70 -0.04 0.00 -0.30 0.00 0.00 42.92 43.27 1xmi s ASP 648 CO 0.00 -0.35 -0.08 -0.55 -0.17 0.00 0.00 175.17 174.02 1xmi s SER 649 N 2.42 1.63 1.22 -0.34 0.15 -1.26 -5.00 113.70 112.52 1xmi s SER 649 Ca 0.10 -1.03 -0.16 0.00 0.70 0.00 0.00 55.95 55.56 1xmi s SER 649 Cb -0.14 0.02 0.26 0.00 -1.71 0.00 0.00 66.02 64.45 1xmi s SER 649 CO -0.24 -0.38 0.70 0.33 1.20 0.00 0.00 173.24 174.86 1xmi n PHE 650 N -0.18 -1.85 0.00 3.44 -0.00 -1.26 -3.41 117.46 114.20 1xmi n PHE 650 Ca -0.10 -0.21 0.00 0.00 -0.00 0.00 0.00 57.45 57.14 1xmi n PHE 650 Cb 0.61 -1.58 0.00 0.00 -0.00 0.00 0.00 39.48 38.51 1xmi n PHE 650 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1xmi n ASP 651 N -4.16 0.00 0.18 -2.13 2.03 -1.26 -4.35 116.55 106.86 1xmi n ASP 651 Ca 0.04 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.47 1xmi n ASP 651 Cb 0.56 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 41.15 1xmi n ASP 651 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1xmi h GLN 652 N 0.00 0.00 -6.97 -0.67 5.75 -2.02 -3.46 115.11 107.74 1xmi h GLN 652 Ca 0.00 0.00 -0.55 0.00 -0.15 0.00 0.00 58.65 57.95 1xmi h GLN 652 Cb 0.00 0.00 0.12 0.00 1.07 0.00 0.00 27.48 28.67 1xmi h GLN 652 CO 0.00 0.00 0.69 1.19 -2.65 0.00 0.00 178.83 178.06 1xmi n PHE 653 N -2.88 2.67 -1.28 3.99 3.01 -1.25 -5.02 117.46 116.70 1xmi n PHE 653 Ca 0.04 0.44 -0.30 0.00 1.01 0.00 0.00 57.45 58.65 1xmi n PHE 653 Cb 0.51 -2.46 0.21 0.00 -0.01 0.00 0.00 39.48 37.74 1xmi n PHE 653 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1xmi s SER 654 N -0.47 1.81 -0.00 4.37 1.04 -1.26 -4.89 113.70 114.30 1xmi s SER 654 Ca 0.61 0.70 -0.25 0.00 0.48 0.00 0.00 55.95 57.48 1xmi s SER 654 Cb -0.45 -1.01 -0.19 0.00 0.10 0.00 0.00 66.02 64.46 1xmi s SER 654 CO 0.58 -3.58 1.33 0.00 0.98 0.00 0.00 173.24 172.55 1xmi h ALA 655 N -2.21 -0.05 -0.01 5.32 0.00 -1.99 -2.94 119.26 117.38 1xmi h ALA 655 Ca -0.47 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.20 1xmi h ALA 655 Cb 1.30 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1xmi h ALA 655 CO 0.42 -0.33 -0.22 1.05 0.00 0.00 0.00 179.25 180.17 1xmi h GLU 656 N -0.44 0.02 -0.07 0.00 4.11 -1.99 -2.11 114.58 114.10 1xmi h GLU 656 Ca -0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 1xmi h GLU 656 Cb 0.41 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1xmi h GLU 656 CO 0.01 0.24 0.01 -0.09 0.07 0.00 0.00 179.01 179.24 1xmi h ARG 657 N 0.02 0.12 -0.53 1.06 2.43 -1.94 -0.58 114.38 114.95 1xmi h ARG 657 Ca 0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1xmi h ARG 657 Cb 0.39 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1xmi h ARG 657 CO 0.03 0.35 0.33 0.00 -1.51 0.00 0.00 179.97 179.17 1xmi h ARG 658 N -0.13 0.72 -0.60 0.20 3.08 -1.31 -1.28 114.38 115.06 1xmi h ARG 658 Ca 0.02 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1xmi h ARG 658 Cb 0.29 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1xmi h ARG 658 CO 0.00 0.52 0.33 -0.91 -1.07 0.00 0.00 179.97 178.84 1xmi h ASN 659 N 0.72 0.74 -0.39 7.04 2.35 -1.35 -0.94 115.58 123.75 1xmi h ASN 659 Ca 0.19 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 1xmi h ASN 659 Cb -0.02 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 1xmi h ASN 659 CO -0.04 0.60 -0.01 -1.28 -1.65 0.00 0.00 177.43 175.04 1xmi h SER 660 N 0.84 0.68 -0.65 5.81 0.87 -0.64 -1.16 113.55 119.29 1xmi h SER 660 Ca 0.21 -0.32 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1xmi h SER 660 Cb 0.02 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 1xmi h SER 660 CO -0.03 0.83 0.39 0.40 -0.53 0.00 0.00 176.83 177.89 1xmi h ILE 661 N 0.51 1.19 -0.49 2.23 2.04 -0.84 -0.93 117.51 121.22 1xmi h ILE 661 Ca 0.11 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 1xmi h ILE 661 Cb 0.49 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1xmi h ILE 661 CO 0.02 0.19 0.19 -0.07 0.00 0.00 0.00 178.15 178.49 1xmi h LEU 662 N 0.88 0.69 -1.09 1.44 3.38 -1.13 -1.99 115.31 117.48 1xmi h LEU 662 Ca 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1xmi h LEU 662 Cb -0.03 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1xmi h LEU 662 CO -0.04 0.67 0.32 0.74 0.09 0.00 0.00 178.44 180.22 1xmi h THR 663 N 0.66 1.22 -0.33 0.22 2.02 -0.94 -0.48 112.91 115.28 1xmi h THR 663 Ca 0.16 -0.62 -0.10 0.00 0.77 0.00 0.00 66.41 66.63 1xmi h THR 663 Cb 0.21 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1xmi h THR 663 CO -0.01 0.26 -0.20 -0.33 0.37 0.00 0.00 175.52 175.61 1xmi h GLU 664 N 0.95 0.62 -0.39 6.66 4.39 -0.97 -0.65 114.58 125.19 1xmi h GLU 664 Ca 0.23 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 1xmi h GLU 664 Cb 0.10 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1xmi h GLU 664 CO -0.03 0.78 0.01 1.15 -1.16 0.00 0.00 179.01 179.75 1xmi h THR 665 N 0.55 1.26 -0.58 1.13 2.02 -0.80 -2.69 112.91 113.80 1xmi h THR 665 Ca 0.08 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 1xmi h THR 665 Cb 0.65 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1xmi h THR 665 CO 0.05 0.33 0.36 -0.07 0.37 0.00 0.00 175.52 176.56 1xmi h LEU 666 N 0.51 0.69 -1.02 2.58 3.38 -0.89 -2.77 115.31 117.79 1xmi h LEU 666 Ca 0.11 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1xmi h LEU 666 Cb 0.46 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1xmi h LEU 666 CO 0.02 0.53 0.65 -0.09 0.09 0.00 0.00 178.44 179.64 1xmi h ARG 667 N 0.78 1.16 -0.87 1.13 2.43 -1.06 -0.94 114.38 117.02 1xmi h ARG 667 Ca 0.21 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1xmi h ARG 667 Cb -0.04 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 29.20 1xmi h ARG 667 CO -0.04 0.77 0.56 0.00 -1.51 0.00 0.00 179.97 179.75 1xmi h ARG 668 N 1.20 1.16 0.00 0.20 3.08 -1.19 -2.54 114.38 116.29 1xmi h ARG 668 Ca 0.42 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1xmi h ARG 668 Cb 0.13 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1xmi h ARG 668 CO -0.16 0.78 -1.04 1.19 -1.07 0.00 0.00 179.97 179.66 1xmi n PHE 669 N -4.46 0.01 0.11 3.04 3.72 -1.04 -3.74 117.46 115.09 1xmi n PHE 669 Ca 0.09 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.52 1xmi n PHE 669 Cb 0.03 -0.07 -0.01 0.00 -0.94 0.00 0.00 39.48 38.49 1xmi n PHE 669 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1xmi h SER 670 N 0.00 0.00 0.00 4.37 4.64 -1.16 -3.51 113.55 117.89 1xmi h SER 670 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xmi h SER 670 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1xmi h SER 670 CO 0.00 0.49 0.00 -0.11 -0.87 0.00 0.00 176.83 176.34