#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hl9 n LEU 403 N 0.00 0.05 -4.34 2.46 4.77 -1.26 -3.37 117.00 115.31 2hl9 n LEU 403 Ca 0.00 0.36 -0.45 0.00 -0.03 0.00 0.00 56.01 55.89 2hl9 n LEU 403 Cb 0.00 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 40.85 2hl9 n LEU 403 CO 0.00 -0.39 0.08 -0.69 -1.33 0.00 0.00 177.39 175.06 2hl9 s VAL 404 N -3.95 5.17 0.85 4.08 1.01 -1.26 -5.07 120.40 121.23 2hl9 s VAL 404 Ca -0.02 -1.32 -0.10 0.00 0.00 0.00 0.00 61.98 60.54 2hl9 s VAL 404 Cb 0.08 -4.22 0.10 0.00 0.00 0.00 0.00 36.38 32.35 2hl9 s VAL 404 CO 0.23 -0.74 1.11 -2.16 0.00 0.00 0.00 175.10 173.55 2hl9 s PRO 405 N 1.61 1.61 -0.13 2.72 0.04 -1.22 -4.97 135.00 134.66 2hl9 s PRO 405 Ca 0.04 1.27 -0.16 0.00 0.04 0.00 0.00 61.00 62.19 2hl9 s PRO 405 Cb -0.27 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 2hl9 s PRO 405 CO 0.04 -2.13 0.38 -2.00 0.04 0.00 0.00 177.00 173.33 2hl9 s GLU 406 N -4.80 4.24 0.46 4.56 2.12 -1.26 -4.84 118.70 119.18 2hl9 s GLU 406 Ca 0.64 0.27 -0.21 0.00 0.36 0.00 0.00 54.97 56.03 2hl9 s GLU 406 Cb -0.20 -3.40 -0.10 0.00 0.26 0.00 0.00 34.13 30.69 2hl9 s GLU 406 CO 0.57 0.26 1.00 -0.51 -0.54 0.00 0.00 175.26 176.04 2hl9 s LEU 407 N 0.35 3.90 0.84 2.70 1.43 -1.26 -5.06 118.68 121.57 2hl9 s LEU 407 Ca 0.21 1.83 -0.12 0.00 -1.03 0.00 0.00 54.13 55.02 2hl9 s LEU 407 Cb -0.14 -4.54 0.09 0.00 0.03 0.00 0.00 46.19 41.63 2hl9 s LEU 407 CO 0.07 -0.58 1.14 0.54 0.23 0.00 0.00 176.35 177.75 2hl9 s ASN 408 N -2.05 4.22 0.14 2.29 2.20 -1.26 -4.80 114.94 115.67 2hl9 s ASN 408 Ca 0.65 0.99 -0.24 0.00 -0.94 0.00 0.00 52.86 53.31 2hl9 s ASN 408 Cb -0.13 -1.59 0.01 0.00 -2.00 0.00 0.00 41.25 37.53 2hl9 s ASN 408 CO 0.17 -2.11 1.62 -0.33 -2.94 0.00 0.00 177.10 173.51 2hl9 h GLU 409 N -1.19 -0.30 -0.43 3.55 4.39 -1.99 -0.61 114.58 118.00 2hl9 h GLU 409 Ca -0.48 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.33 2hl9 h GLU 409 Cb 1.31 0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 29.95 2hl9 h GLU 409 CO 0.63 -0.20 -0.07 -0.22 -1.16 0.00 0.00 179.01 177.99 2hl9 h LYS 410 N -0.31 0.03 -0.29 2.33 1.63 -1.98 -0.20 116.57 117.78 2hl9 h LYS 410 Ca 0.12 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 2hl9 h LYS 410 Cb 0.50 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 2hl9 h LYS 410 CO -0.37 0.02 0.10 -0.44 -3.45 0.00 0.00 179.45 175.30 2hl9 h ASP 411 N 0.03 0.42 -0.34 4.20 3.32 -1.84 -0.86 116.42 121.35 2hl9 h ASP 411 Ca 0.21 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 2hl9 h ASP 411 Cb 0.32 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2hl9 h ASP 411 CO -0.42 0.50 0.08 -0.78 -1.72 0.00 0.00 179.24 176.91 2hl9 h ASP 412 N 0.31 0.51 -0.76 6.45 1.82 -1.00 -2.76 116.42 120.99 2hl9 h ASP 412 Ca 0.09 -0.23 0.11 0.00 -0.39 0.00 0.00 57.03 56.61 2hl9 h ASP 412 Cb 0.23 -0.14 -0.05 0.00 0.68 0.00 0.00 39.33 40.05 2hl9 h ASP 412 CO -0.00 0.61 0.50 -0.78 -1.61 0.00 0.00 179.24 177.96 2hl9 h ASP 413 N 0.39 0.56 -0.86 2.28 1.82 -0.87 -0.31 116.42 119.43 2hl9 h ASP 413 Ca 0.11 0.02 0.03 0.00 -0.39 0.00 0.00 57.03 56.79 2hl9 h ASP 413 Cb 0.30 -0.10 -0.05 0.00 0.68 0.00 0.00 39.33 40.16 2hl9 h ASP 413 CO 0.00 0.32 0.56 -0.61 -1.61 0.00 0.00 179.24 177.91 2hl9 h GLN 414 N 0.62 1.07 -0.27 0.28 4.15 -0.93 -1.12 115.11 118.90 2hl9 h GLN 414 Ca 0.36 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.69 2hl9 h GLN 414 Cb 0.56 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 2hl9 h GLN 414 CO -0.13 0.71 0.09 0.28 -1.93 0.00 0.00 178.83 177.85 2hl9 h VAL 415 N 1.10 1.19 0.07 2.39 2.07 -0.86 -2.16 116.25 120.04 2hl9 h VAL 415 Ca 0.34 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.28 2hl9 h VAL 415 Cb -0.02 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2hl9 h VAL 415 CO -0.11 0.20 -0.26 -0.61 0.02 0.00 0.00 177.57 176.82 2hl9 h GLN 416 N 0.28 -0.42 -0.94 1.57 5.75 -0.95 0.50 115.11 120.92 2hl9 h GLN 416 Ca 0.09 0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.63 2hl9 h GLN 416 Cb 0.22 0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.82 2hl9 h GLN 416 CO -0.00 -0.28 0.62 0.87 -2.65 0.00 0.00 178.83 177.39 2hl9 h LYS 417 N -0.43 1.23 -0.04 1.69 1.79 -1.24 -1.29 116.57 118.28 2hl9 h LYS 417 Ca 0.04 -0.08 -0.12 0.00 -2.18 0.00 0.00 60.65 58.32 2hl9 h LYS 417 Cb 0.48 -0.28 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 2hl9 h LYS 417 CO -0.18 0.82 -0.51 0.00 -1.08 0.00 0.00 179.45 178.49 2hl9 h ALA 418 N 1.34 1.07 -0.26 3.86 0.00 -0.93 -1.71 119.26 122.63 2hl9 h ALA 418 Ca 0.34 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2hl9 h ALA 418 Cb -0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2hl9 h ALA 418 CO -0.07 0.65 -0.18 -0.07 0.00 0.00 0.00 179.25 179.58 2hl9 h LEU 419 N 0.09 0.61 -1.65 0.00 3.38 -0.26 -3.00 115.31 114.48 2hl9 h LEU 419 Ca 0.00 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 2hl9 h LEU 419 Cb 0.94 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2hl9 h LEU 419 CO 0.07 0.92 -0.20 0.00 0.09 0.00 0.00 178.44 179.32 2hl9 h ALA 420 N 0.71 1.44 -0.59 1.53 0.00 -1.28 -3.46 119.26 117.62 2hl9 h ALA 420 Ca 0.05 -0.18 -0.65 0.00 0.00 0.00 0.00 54.91 54.13 2hl9 h ALA 420 Cb 0.72 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2hl9 h ALA 420 CO 0.05 0.25 0.62 0.45 0.00 0.00 0.00 179.25 180.62 2hl9 n SER 421 N -3.97 0.84 -4.67 0.00 2.88 -0.65 -4.87 113.62 103.18 2hl9 n SER 421 Ca -0.02 0.81 -0.42 0.00 -1.33 0.00 0.00 58.87 57.91 2hl9 n SER 421 Cb 0.28 -0.67 -0.03 0.00 -0.75 0.00 0.00 64.21 63.05 2hl9 n SER 421 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2hl9 s ARG 422 N 2.76 4.24 0.34 -1.46 3.00 -1.26 -4.93 118.95 121.64 2hl9 s ARG 422 Ca 0.82 1.97 0.08 0.00 0.00 0.00 0.00 55.73 58.59 2hl9 s ARG 422 Cb -1.13 -3.74 -0.03 0.00 0.00 0.00 0.00 34.95 30.05 2hl9 s ARG 422 CO 0.59 -0.69 0.24 -1.21 0.00 0.00 0.00 175.30 174.24 2hl9 s GLU 423 N 3.12 2.61 0.00 3.54 0.41 -1.26 -5.12 118.70 122.00 2hl9 s GLU 423 Ca 0.65 -1.38 0.00 0.00 -0.41 0.00 0.00 54.97 53.83 2hl9 s GLU 423 Cb -0.30 -2.38 0.00 0.00 -1.78 0.00 0.00 34.13 29.67 2hl9 s GLU 423 CO 0.25 0.10 0.00 0.09 -0.49 0.00 0.00 175.26 175.20 2hl9 n ASN 424 N -1.30 0.00 0.00 -0.19 5.03 -1.26 -5.05 115.26 112.49 2hl9 n ASN 424 Ca -0.02 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.43 2hl9 n ASN 424 Cb 0.60 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.36 2hl9 n ASN 424 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2hl9 n THR 425 N 0.00 0.00 -2.45 3.41 -2.24 -1.26 -4.45 114.28 107.29 2hl9 n THR 425 Ca 0.00 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 2hl9 n THR 425 Cb 0.00 -0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.18 2hl9 n THR 425 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hl9 s GLN 426 N 0.28 4.61 -0.01 -0.78 0.00 -1.26 -3.14 119.66 119.35 2hl9 s GLN 426 Ca 0.00 1.83 0.11 0.00 -0.00 0.00 0.00 55.36 57.30 2hl9 s GLN 426 Cb 0.00 -3.19 -0.16 0.00 0.00 0.00 0.00 33.01 29.65 2hl9 s GLN 426 CO 0.00 0.15 0.29 1.28 0.00 0.00 0.00 175.29 177.01 2hl9 n LEU 427 N 1.38 0.10 -3.53 2.60 4.77 0.63 -4.86 117.00 118.09 2hl9 n LEU 427 Ca -0.00 -0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 55.79 2hl9 n LEU 427 Cb 0.45 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 2hl9 n LEU 427 CO 0.54 0.03 0.62 -0.32 -1.33 0.00 0.00 177.39 176.93 2hl9 s MET 428 N -2.62 1.01 0.00 3.23 0.00 -1.18 -4.77 119.30 114.97 2hl9 s MET 428 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 55.69 55.26 2hl9 s MET 428 Cb 0.07 0.44 0.00 0.00 0.00 0.00 0.00 34.83 35.34 2hl9 s MET 428 CO 0.46 -0.44 0.58 -1.71 0.00 0.00 0.00 175.02 173.90 2hl9 n ASN 429 N -0.31 0.00 -0.58 1.11 5.15 -1.26 -2.00 115.26 117.37 2hl9 n ASN 429 Ca -0.10 -1.26 0.02 0.00 -0.60 0.00 0.00 54.58 52.63 2hl9 n ASN 429 Cb 0.62 -0.05 0.07 0.00 -0.53 0.00 0.00 39.78 39.89 2hl9 n ASN 429 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2hl9 n ARG 430 N 0.00 1.60 -2.31 1.20 0.63 -1.26 -4.66 116.66 111.86 2hl9 n ARG 430 Ca 0.00 -0.58 0.00 0.00 -0.92 0.00 0.00 57.85 56.35 2hl9 n ARG 430 Cb 0.55 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 32.02 2hl9 n ARG 430 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 2hl9 n ILE 433 N 0.05-13.68 -3.70 5.15 3.06 -1.26 -5.06 119.36 103.92 2hl9 n ILE 433 Ca 0.05 3.30 -0.37 0.00 -2.50 0.00 0.00 62.75 63.23 2hl9 n ILE 433 Cb 0.31 -6.01 -0.11 0.00 0.54 0.00 0.00 39.64 34.37 2hl9 n ILE 433 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 2hl9 s GLU 434 N -0.59 3.93 -0.21 9.51 2.12 -1.26 -4.94 118.70 127.26 2hl9 s GLU 434 Ca 0.00 -0.34 -0.04 0.00 0.36 0.00 0.00 54.97 54.95 2hl9 s GLU 434 Cb 0.00 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.88 2hl9 s GLU 434 CO 0.00 -0.05 -0.04 0.42 -0.54 0.00 0.00 175.26 175.05 2hl9 s ILE 435 N 1.34 3.49 0.64 -3.70 1.01 -0.85 -5.00 121.20 118.13 2hl9 s ILE 435 Ca 0.07 -0.46 -0.05 0.00 0.00 0.00 0.00 60.65 60.21 2hl9 s ILE 435 Cb -0.15 -2.58 0.04 0.00 0.01 0.00 0.00 42.46 39.78 2hl9 s ILE 435 CO 0.06 0.42 0.93 0.42 0.00 0.00 0.00 174.94 176.78 2hl9 s THR 436 N 1.35 2.70 0.02 2.92 -4.23 -1.26 -0.27 115.64 116.88 2hl9 s THR 436 Ca 0.04 -0.30 0.16 0.00 -1.18 0.00 0.00 61.69 60.41 2hl9 s THR 436 Cb -0.14 -3.11 0.08 0.00 1.34 0.00 0.00 72.50 70.67 2hl9 s THR 436 CO -0.02 -0.11 1.58 0.58 -0.54 0.00 0.00 174.62 176.11 2hl9 h VAL 437 N -0.34 0.92 -0.65 2.29 2.07 -1.76 -0.91 116.25 117.88 2hl9 h VAL 437 Ca -0.44 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.13 2hl9 h VAL 437 Cb 1.30 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 33.24 2hl9 h VAL 437 CO 0.59 0.46 0.41 -0.09 0.02 0.00 0.00 177.57 178.95 2hl9 h ARG 438 N 0.00 0.87 -0.15 1.57 2.43 -1.88 0.19 114.38 117.41 2hl9 h ARG 438 Ca -0.00 -0.07 -0.18 0.00 -0.81 0.00 0.00 59.98 58.92 2hl9 h ARG 438 Cb 1.17 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.53 2hl9 h ARG 438 CO 0.06 0.61 -0.64 -0.44 -1.51 0.00 0.00 179.97 178.05 2hl9 h ASP 439 N 0.88 0.63 -0.88 -3.80 3.32 -1.82 -3.14 116.42 111.61 2hl9 h ASP 439 Ca 0.23 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 2hl9 h ASP 439 Cb -0.05 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.27 2hl9 h ASP 439 CO -0.05 1.11 0.53 0.15 -1.72 0.00 0.00 179.24 179.26 2hl9 h PHE 440 N 0.40 1.17 0.00 4.55 3.57 -0.98 -2.50 116.94 123.16 2hl9 h PHE 440 Ca -0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2hl9 h PHE 440 Cb 1.21 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.57 2hl9 h PHE 440 CO 0.05 0.79 0.00 0.87 -2.23 0.00 0.00 178.31 177.79 2hl9 h LYS 441 N 1.23 0.00 0.00 1.11 1.79 -0.57 -0.19 116.57 119.94 2hl9 h LYS 441 Ca 0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 2hl9 h LYS 441 Cb -0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 2hl9 h LYS 441 CO -0.06 0.00 0.00 1.79 -1.08 0.00 0.00 179.45 180.10 2hl9 h THR 442 N 0.00 0.00 -0.00 -0.16 1.35 -1.55 -1.80 112.91 110.75 2hl9 h THR 442 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 2hl9 h THR 442 Cb 0.05 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 2hl9 h THR 442 CO 0.00 0.00 -0.11 0.18 -0.25 0.00 0.00 175.52 175.34 2hl9 n LEU 443 N -2.63 0.16 -4.71 3.87 4.77 -0.08 -4.15 117.00 114.23 2hl9 n LEU 443 Ca 0.01 0.31 -0.33 0.00 -0.03 0.00 0.00 56.01 55.97 2hl9 n LEU 443 Cb 0.21 -0.38 0.12 0.00 -2.33 0.00 0.00 43.42 41.05 2hl9 n LEU 443 CO 0.21 0.04 0.74 0.00 -1.33 0.00 0.00 177.39 177.05 2hl9 s ALA 444 N -2.86 1.88 0.46 -1.18 0.00 -0.68 -4.78 121.76 114.60 2hl9 s ALA 444 Ca 0.18 0.70 -0.25 0.00 0.00 0.00 0.00 51.96 52.59 2hl9 s ALA 444 Cb 0.19 -3.44 -0.08 0.00 0.00 0.00 0.00 23.12 19.79 2hl9 s ALA 444 CO 0.54 -2.22 1.38 -2.14 0.00 0.00 0.00 175.76 173.33 2hl9 s PRO 445 N -4.32 3.65 -1.11 0.00 0.02 -1.26 -2.69 135.00 129.29 2hl9 s PRO 445 Ca 0.70 2.31 0.00 0.00 0.02 0.00 0.00 61.00 64.03 2hl9 s PRO 445 Cb -0.25 -2.59 0.00 0.00 0.02 0.00 0.00 34.50 31.67 2hl9 s PRO 445 CO 0.51 -0.81 0.00 0.54 -0.33 0.00 0.00 177.00 176.91 2hl9 n ARG 446 N -0.29 -1.00 -4.79 5.54 1.74 -1.26 -5.00 116.66 111.60 2hl9 n ARG 446 Ca 0.06 0.83 -0.33 0.00 -0.77 0.00 0.00 57.85 57.64 2hl9 n ARG 446 Cb 0.43 -4.87 -0.14 0.00 -1.02 0.00 0.00 32.46 26.87 2hl9 n ARG 446 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2hl9 s ARG 447 N -2.72 3.04 0.04 5.56 1.81 -1.09 -5.01 118.95 120.57 2hl9 s ARG 447 Ca 0.00 -0.67 -0.30 0.00 -1.72 0.00 0.00 55.73 53.04 2hl9 s ARG 447 Cb 0.00 -2.55 -0.08 0.00 -0.45 0.00 0.00 34.95 31.87 2hl9 s ARG 447 CO 0.00 0.39 1.70 -0.46 -0.68 0.00 0.00 175.30 176.26 2hl9 s TRP 448 N -0.12 2.16 0.16 -0.53 -0.00 -1.26 -4.77 118.94 114.59 2hl9 s TRP 448 Ca -0.01 0.17 -0.30 0.00 -0.00 0.00 0.00 56.10 55.96 2hl9 s TRP 448 Cb -0.14 -4.00 -0.08 0.00 -0.00 0.00 0.00 33.47 29.25 2hl9 s TRP 448 CO 0.03 -4.14 1.25 -0.51 -0.00 0.00 0.00 176.95 173.58 2hl9 s LEU 449 N 3.19 4.42 0.64 5.86 1.43 -1.26 -4.81 118.68 128.15 2hl9 s LEU 449 Ca 0.76 2.26 -0.02 0.00 -1.03 0.00 0.00 54.13 56.09 2hl9 s LEU 449 Cb -0.39 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.29 2hl9 s LEU 449 CO 0.33 -0.45 0.91 0.54 0.23 0.00 0.00 176.35 177.90 2hl9 s ASN 450 N 0.41 4.94 0.32 2.29 2.20 -1.26 -4.83 114.94 119.01 2hl9 s ASN 450 Ca 0.56 0.14 0.04 0.00 -0.94 0.00 0.00 52.86 52.65 2hl9 s ASN 450 Cb -0.34 -0.85 0.65 0.00 -2.00 0.00 0.00 41.25 38.72 2hl9 s ASN 450 CO 0.35 -1.44 1.88 0.44 -2.94 0.00 0.00 177.10 175.39 2hl9 h ASP 451 N -0.30 0.81 -0.29 3.54 3.45 -1.99 -2.54 116.42 119.09 2hl9 h ASP 451 Ca -0.42 0.03 0.04 0.00 0.43 0.00 0.00 57.03 57.11 2hl9 h ASP 451 Cb 1.30 -0.14 -0.04 0.00 -0.56 0.00 0.00 39.33 39.89 2hl9 h ASP 451 CO 0.54 0.46 0.04 0.74 -1.57 0.00 0.00 179.24 179.44 2hl9 h THR 452 N 0.88 0.84 -0.57 0.35 2.02 -1.97 0.07 112.91 114.54 2hl9 h THR 452 Ca 0.43 -0.05 -0.10 0.00 0.77 0.00 0.00 66.41 67.46 2hl9 h THR 452 Cb 0.46 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 2hl9 h THR 452 CO -0.19 0.03 -0.04 0.40 0.37 0.00 0.00 175.52 176.08 2hl9 h ILE 453 N 0.14 1.26 -0.51 3.11 1.08 -1.79 -1.98 117.51 118.83 2hl9 h ILE 453 Ca 0.14 -1.19 -0.08 0.00 -0.39 0.00 0.00 64.86 63.34 2hl9 h ILE 453 Cb 0.16 0.87 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 2hl9 h ILE 453 CO -0.20 0.42 -0.01 0.40 -0.69 0.00 0.00 178.15 178.08 2hl9 h ILE 454 N 0.92 1.26 -0.62 -0.67 5.03 -1.34 -2.31 117.51 119.78 2hl9 h ILE 454 Ca 0.16 -1.10 0.07 0.00 -0.12 0.00 0.00 64.86 63.87 2hl9 h ILE 454 Cb 0.59 0.96 -0.06 0.00 -3.03 0.00 0.00 36.82 35.29 2hl9 h ILE 454 CO 0.04 0.39 0.32 -0.08 -0.68 0.00 0.00 178.15 178.13 2hl9 h GLU 455 N 0.76 0.56 -0.12 2.37 4.81 -0.76 -0.85 114.58 121.36 2hl9 h GLU 455 Ca 0.14 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 2hl9 h GLU 455 Cb 0.53 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 2hl9 h GLU 455 CO 0.03 0.37 -0.13 0.35 -0.73 0.00 0.00 179.01 178.90 2hl9 h PHE 456 N 0.58 -0.33 -0.56 0.92 3.57 -1.23 -1.71 116.94 118.19 2hl9 h PHE 456 Ca 0.29 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 2hl9 h PHE 456 Cb 0.23 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 2hl9 h PHE 456 CO -0.10 -0.19 0.34 0.35 -2.23 0.00 0.00 178.31 176.47 2hl9 h PHE 457 N -0.16 0.74 -0.29 0.41 3.57 -1.10 -1.54 116.94 118.56 2hl9 h PHE 457 Ca 0.09 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.62 2hl9 h PHE 457 Cb 0.29 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 2hl9 h PHE 457 CO -0.25 0.51 0.08 0.52 -2.23 0.00 0.00 178.31 176.94 2hl9 h MET 458 N 0.75 0.19 -0.72 1.11 2.86 -1.06 -0.66 114.93 117.40 2hl9 h MET 458 Ca 0.20 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.91 2hl9 h MET 458 Cb -0.01 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.54 2hl9 h MET 458 CO -0.04 0.13 0.39 0.87 1.06 0.00 0.00 176.91 179.31 2hl9 h LYS 459 N 0.20 0.65 -0.31 1.72 1.79 -1.09 -0.76 116.57 118.77 2hl9 h LYS 459 Ca 0.13 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.59 2hl9 h LYS 459 Cb 0.12 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.60 2hl9 h LYS 459 CO -0.16 0.43 0.12 -0.92 -1.08 0.00 0.00 179.45 177.85 2hl9 h TYR 460 N 0.67 0.22 -0.27 -1.35 3.20 -0.82 -2.22 116.97 116.41 2hl9 h TYR 460 Ca 0.34 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.24 2hl9 h TYR 460 Cb 0.30 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 2hl9 h TYR 460 CO -0.09 0.10 0.13 0.82 -1.64 0.00 0.00 178.16 177.49 2hl9 h ILE 461 N 0.26 0.99 -0.75 1.81 1.08 -0.69 -1.57 117.51 118.65 2hl9 h ILE 461 Ca 0.14 -0.10 0.11 0.00 -0.39 0.00 0.00 64.86 64.62 2hl9 h ILE 461 Cb 0.09 0.69 -0.08 0.00 -3.07 0.00 0.00 36.82 34.45 2hl9 h ILE 461 CO -0.13 0.05 0.36 -0.33 -0.69 0.00 0.00 178.15 177.41 2hl9 h GLU 462 N 0.28 0.56 0.00 2.37 5.08 -0.97 -2.35 114.58 119.55 2hl9 h GLU 462 Ca 0.11 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 2hl9 h GLU 462 Cb 0.03 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2hl9 h GLU 462 CO -0.07 0.37 -0.41 -0.22 -1.00 0.00 0.00 179.01 177.67 2hl9 h LYS 463 N 0.57 0.00 -0.43 2.33 1.63 -1.07 -3.22 116.57 116.39 2hl9 h LYS 463 Ca 0.39 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.19 2hl9 h LYS 463 Cb 0.48 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 2hl9 h LYS 463 CO -0.32 0.41 0.00 -1.13 -3.45 0.00 0.00 179.45 174.97 2hl9 n SER 464 N -3.49 4.13 -3.55 4.20 3.41 -0.62 -4.91 113.62 112.79 2hl9 n SER 464 Ca 0.00 -2.60 -0.13 0.00 -0.26 0.00 0.00 58.87 55.89 2hl9 n SER 464 Cb 0.55 -0.50 -0.11 0.00 -0.26 0.00 0.00 64.21 63.89 2hl9 n SER 464 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2hl9 s THR 465 N -2.10 -0.48 0.44 6.66 2.01 -0.95 -5.00 115.64 116.23 2hl9 s THR 465 Ca 0.42 0.09 -0.24 0.00 0.31 0.00 0.00 61.69 62.27 2hl9 s THR 465 Cb 0.29 -0.62 -0.08 0.00 0.01 0.00 0.00 72.50 72.11 2hl9 s THR 465 CO 0.16 -0.02 1.24 -2.16 -0.69 0.00 0.00 174.62 173.15 2hl9 s PRO 466 N 2.46 3.80 -1.32 4.92 0.04 -1.26 -3.88 135.00 139.76 2hl9 s PRO 466 Ca 0.05 1.98 -0.06 0.00 0.04 0.00 0.00 61.00 63.01 2hl9 s PRO 466 Cb -0.14 -2.56 0.02 0.00 0.04 0.00 0.00 34.50 31.86 2hl9 s PRO 466 CO -0.12 -0.58 1.04 0.09 0.04 0.00 0.00 177.00 177.48 2hl9 n ASN 467 N -0.25 -4.10 -3.78 6.66 3.02 -1.26 -4.85 115.26 110.70 2hl9 n ASN 467 Ca 0.06 -0.63 -0.13 0.00 -0.03 0.00 0.00 54.58 53.85 2hl9 n ASN 467 Cb 0.46 -4.81 -0.14 0.00 -0.61 0.00 0.00 39.78 34.68 2hl9 n ASN 467 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2hl9 s THR 468 N -3.37 -0.03 -0.08 3.41 2.01 -1.25 -0.48 115.64 115.85 2hl9 s THR 468 Ca 0.33 0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.48 2hl9 s THR 468 Cb -0.15 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.13 2hl9 s THR 468 CO 0.75 0.04 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.80 2hl9 s VAL 469 N 0.70 2.17 -0.32 3.82 1.01 -0.78 -4.75 120.40 122.24 2hl9 s VAL 469 Ca -0.05 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 2hl9 s VAL 469 Cb -0.07 -1.81 0.10 0.00 0.00 0.00 0.00 36.38 34.61 2hl9 s VAL 469 CO -0.03 0.56 0.12 0.00 0.00 0.00 0.00 175.10 175.75 2hl9 s ALA 470 N 0.02 1.51 0.75 5.51 0.00 -1.26 -1.00 121.76 127.29 2hl9 s ALA 470 Ca -0.09 -1.73 -0.11 0.00 0.00 0.00 0.00 51.96 50.04 2hl9 s ALA 470 Cb -0.15 -1.63 0.05 0.00 0.00 0.00 0.00 23.12 21.38 2hl9 s ALA 470 CO 0.06 -1.72 1.09 -0.06 0.00 0.00 0.00 175.76 175.12 2hl9 s PHE 471 N 1.51 2.64 1.06 0.00 2.99 -0.45 -4.43 117.98 121.30 2hl9 s PHE 471 Ca 0.11 1.54 -0.18 0.00 0.00 0.00 0.00 56.93 58.40 2hl9 s PHE 471 Cb -0.18 -3.04 0.24 0.00 0.00 0.00 0.00 43.02 40.04 2hl9 s PHE 471 CO -0.23 -1.73 1.27 0.54 -0.00 0.00 0.00 175.22 175.07 2hl9 s ASN 472 N -3.34 2.20 0.53 1.36 2.20 -1.26 -4.28 114.94 112.33 2hl9 s ASN 472 Ca 0.61 0.32 0.30 0.00 -0.94 0.00 0.00 52.86 53.16 2hl9 s ASN 472 Cb -0.17 -0.37 1.41 0.00 -2.00 0.00 0.00 41.25 40.11 2hl9 s ASN 472 CO 0.54 -3.31 2.02 0.77 -2.94 0.00 0.00 177.10 174.19 2hl9 h SER 473 N -2.03 0.00 1.36 3.54 4.64 -1.88 -3.04 113.55 116.12 2hl9 h SER 473 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.86 2hl9 h SER 473 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2hl9 h SER 473 CO 0.33 0.10 -0.12 -0.26 -0.87 0.00 0.00 176.83 176.01 2hl9 h PHE 474 N 0.00 0.00 -0.08 4.77 -1.00 -1.92 -3.26 116.94 115.45 2hl9 h PHE 474 Ca -0.00 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.82 2hl9 h PHE 474 Cb 0.45 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.96 2hl9 h PHE 474 CO 0.00 0.12 -0.28 0.35 -1.61 0.00 0.00 178.31 176.90 2hl9 h PHE 475 N 0.00 -0.75 -0.50 -0.55 3.57 -1.88 -1.72 116.94 115.11 2hl9 h PHE 475 Ca -0.00 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 2hl9 h PHE 475 Cb 0.83 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 2hl9 h PHE 475 CO 0.00 -0.36 -0.09 -0.92 -2.23 0.00 0.00 178.31 174.71 2hl9 h TYR 476 N -0.38 1.00 -0.09 0.41 3.20 -1.78 -1.66 116.97 117.69 2hl9 h TYR 476 Ca 0.08 -0.19 0.04 0.00 3.14 0.00 0.00 58.73 61.80 2hl9 h TYR 476 Cb 0.50 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 2hl9 h TYR 476 CO -0.34 0.95 -0.15 1.15 -1.64 0.00 0.00 178.16 178.12 2hl9 h THR 477 N 0.82 0.60 -0.51 1.81 2.02 -1.58 -0.99 112.91 115.09 2hl9 h THR 477 Ca 0.14 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 2hl9 h THR 477 Cb 0.61 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2hl9 h THR 477 CO 0.04 0.00 0.29 0.78 0.37 0.00 0.00 175.52 176.99 2hl9 h ASN 478 N -0.21 0.63 -0.20 4.18 4.21 -1.19 -1.31 115.58 121.69 2hl9 h ASN 478 Ca 0.08 -0.08 0.03 0.00 1.21 0.00 0.00 56.30 57.54 2hl9 h ASN 478 Cb 0.32 -0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 37.33 2hl9 h ASN 478 CO -0.21 0.53 -0.01 0.25 -1.29 0.00 0.00 177.43 176.70 2hl9 h LEU 479 N 0.68 -0.10 -0.69 1.61 5.85 -1.01 0.34 115.31 122.00 2hl9 h LEU 479 Ca 0.18 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.81 2hl9 h LEU 479 Cb 0.04 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 2hl9 h LEU 479 CO -0.03 -0.02 -0.63 0.77 -0.34 0.00 0.00 178.44 178.18 2hl9 h SER 480 N 0.05 0.10 0.38 1.25 4.64 -1.08 0.44 113.55 119.33 2hl9 h SER 480 Ca 0.09 -0.06 -0.28 0.00 -0.47 0.00 0.00 61.79 61.07 2hl9 h SER 480 Cb 0.12 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.13 2hl9 h SER 480 CO -0.17 0.71 -1.84 -0.62 -0.87 0.00 0.00 176.83 174.04 2hl9 n GLU 481 N -3.81 0.65 0.00 4.77 1.02 -0.50 -4.51 120.64 118.25 2hl9 n GLU 481 Ca -0.02 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 2hl9 n GLU 481 Cb 0.63 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 2hl9 n GLU 481 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2hl9 n ARG 482 N -2.92 0.22 -0.41 3.49 1.74 0.12 -5.06 116.66 113.83 2hl9 n ARG 482 Ca -0.19 -0.37 0.06 0.00 -0.77 0.00 0.00 57.85 56.57 2hl9 n ARG 482 Cb 1.03 -0.86 -0.01 0.00 -1.02 0.00 0.00 32.46 31.59 2hl9 n ARG 482 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hl9 n GLY 483 N 0.14 -1.83 0.33 -0.13 0.00 0.14 -3.32 105.19 100.52 2hl9 n GLY 483 Ca 0.00 -1.28 0.18 0.00 0.00 0.00 0.00 46.02 44.92 2hl9 n GLY 483 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2hl9 h TYR 484 N -0.38 0.84 -0.47 1.61 3.20 -1.89 -1.24 116.97 118.63 2hl9 h TYR 484 Ca 0.01 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.98 2hl9 h TYR 484 Cb 0.38 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 2hl9 h TYR 484 CO 0.00 -0.07 0.32 0.37 -1.64 0.00 0.00 178.16 177.13 2hl9 h GLN 485 N 0.41 0.37 0.00 1.82 5.75 -1.95 -0.56 115.11 120.95 2hl9 h GLN 485 Ca 0.65 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 59.13 2hl9 h GLN 485 Cb 1.34 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.80 2hl9 h GLN 485 CO -0.55 0.24 0.00 0.78 -2.65 0.00 0.00 178.83 176.65 2hl9 h GLY 486 N 0.38 0.00 -0.20 2.39 0.00 -1.21 -3.25 103.07 101.17 2hl9 h GLY 486 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2hl9 h GLY 486 CO -0.05 0.00 -0.10 3.33 0.00 0.00 0.00 176.54 179.72 2hl9 n VAL 487 N -2.85 1.33 0.29 4.60 0.24 -0.33 -4.85 118.33 116.76 2hl9 n VAL 487 Ca 0.01 -1.57 0.15 0.00 -2.04 0.00 0.00 64.34 60.89 2hl9 n VAL 487 Cb 0.28 0.04 0.88 0.00 -1.47 0.00 0.00 33.84 33.57 2hl9 n VAL 487 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 2hl9 h ARG 488 N 0.00 0.00 -0.00 7.34 0.11 -1.29 -2.01 114.38 118.53 2hl9 h ARG 488 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2hl9 h ARG 488 Cb 1.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.10 2hl9 h ARG 488 CO 0.00 0.04 -0.88 0.54 0.10 0.00 0.00 179.97 179.77 2hl9 n ARG 489 N -3.67 0.15 -0.26 0.08 1.74 -1.26 -4.54 116.66 108.90 2hl9 n ARG 489 Ca -0.02 -0.12 -0.02 0.00 -0.77 0.00 0.00 57.85 56.92 2hl9 n ARG 489 Cb 0.14 -1.50 0.10 0.00 -1.02 0.00 0.00 32.46 30.18 2hl9 n ARG 489 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 2hl9 h TRP 490 N 0.29 0.84 -0.51 -1.55 4.06 -1.74 -2.11 115.95 115.23 2hl9 h TRP 490 Ca 0.00 0.02 -0.12 0.00 2.06 0.00 0.00 58.89 60.85 2hl9 h TRP 490 Cb 0.53 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.40 2hl9 h TRP 490 CO 0.00 0.45 -0.17 1.98 -3.56 0.00 0.00 178.44 177.14 2hl9 h MET 491 N 0.85 1.01 -0.81 0.49 4.05 -1.80 -3.00 114.93 115.73 2hl9 h MET 491 Ca 0.31 -0.41 0.10 0.00 -0.28 0.00 0.00 59.70 59.42 2hl9 h MET 491 Cb 0.10 -0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 30.79 2hl9 h MET 491 CO -0.14 1.09 0.53 0.87 0.23 0.00 0.00 176.91 179.49 2hl9 h LYS 492 N 0.87 0.72 0.00 0.39 1.79 -1.62 0.70 116.57 119.42 2hl9 h LYS 492 Ca 0.12 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2hl9 h LYS 492 Cb 0.75 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2hl9 h LYS 492 CO 0.06 0.48 0.00 0.54 -1.08 0.00 0.00 179.45 179.44 2hl9 n ARG 493 N -4.51 0.17 0.00 3.15 1.74 -0.96 -1.66 116.66 114.59 2hl9 n ARG 493 Ca 0.14 0.55 0.13 0.00 -0.77 0.00 0.00 57.85 57.91 2hl9 n ARG 493 Cb 0.34 -1.94 0.46 0.00 -1.02 0.00 0.00 32.46 30.30 2hl9 n ARG 493 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2hl9 n LYS 494 N -2.28 1.07 -2.30 5.56 4.76 0.24 -4.96 118.16 120.25 2hl9 n LYS 494 Ca 0.00 -0.59 -0.13 0.00 -2.87 0.00 0.00 58.31 54.72 2hl9 n LYS 494 Cb 0.12 -1.49 -0.00 0.00 -1.84 0.00 0.00 35.03 31.82 2hl9 n LYS 494 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2hl9 n LYS 495 N -0.45 -1.26 -3.90 1.97 4.76 -0.66 -4.97 118.16 113.65 2hl9 n LYS 495 Ca 0.15 0.60 -0.08 0.00 -2.87 0.00 0.00 58.31 56.11 2hl9 n LYS 495 Cb 0.34 -4.79 -0.02 0.00 -1.84 0.00 0.00 35.03 28.72 2hl9 n LYS 495 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2hl9 s THR 496 N -2.66 0.00 0.11 -0.18 -1.32 -1.26 -5.13 115.64 105.20 2hl9 s THR 496 Ca 0.02 -1.14 0.08 0.00 -1.21 0.00 0.00 61.69 59.45 2hl9 s THR 496 Cb -0.01 -2.24 -0.04 0.00 -1.51 0.00 0.00 72.50 68.70 2hl9 s THR 496 CO 0.03 0.00 -0.15 -1.10 -2.21 0.00 0.00 174.62 171.19 2hl9 s GLN 497 N -3.63 1.92 0.28 7.08 1.11 -1.26 -4.50 119.66 120.66 2hl9 s GLN 497 Ca 0.16 -1.12 0.01 0.00 0.01 0.00 0.00 55.36 54.41 2hl9 s GLN 497 Cb -0.04 -2.19 0.57 0.00 -1.01 0.00 0.00 33.01 30.34 2hl9 s GLN 497 CO 0.09 0.49 1.81 0.97 0.01 0.00 0.00 175.29 178.66 2hl9 h ILE 498 N 3.41 0.84 0.00 1.08 2.10 -1.95 0.04 117.51 123.04 2hl9 h ILE 498 Ca -0.49 -0.30 0.00 0.00 1.08 0.00 0.00 64.86 65.15 2hl9 h ILE 498 Cb 1.17 -0.09 0.00 0.00 -1.09 0.00 0.00 36.82 36.80 2hl9 h ILE 498 CO 0.49 0.16 0.00 -0.90 -1.08 0.00 0.00 178.15 176.81 2hl9 n ASP 499 N -4.71 0.00 -0.34 2.19 5.68 -1.26 -2.23 116.55 115.87 2hl9 n ASP 499 Ca 0.19 0.29 0.11 0.00 -0.50 0.00 0.00 54.79 54.87 2hl9 n ASP 499 Cb 0.40 -0.35 -0.03 0.00 -1.14 0.00 0.00 41.12 40.00 2hl9 n ASP 499 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2hl9 n LYS 500 N -1.35 0.84 -3.43 0.11 4.01 0.00 -4.99 118.16 113.35 2hl9 n LYS 500 Ca 0.02 -0.69 -0.29 0.00 -0.51 0.00 0.00 58.31 56.84 2hl9 n LYS 500 Cb 0.05 -1.49 -0.04 0.00 -0.51 0.00 0.00 35.03 33.05 2hl9 n LYS 500 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2hl9 s LEU 501 N -2.64 4.12 -0.17 -0.35 1.43 -0.95 -4.90 118.68 115.22 2hl9 s LEU 501 Ca 0.15 0.69 -0.17 0.00 -1.03 0.00 0.00 54.13 53.77 2hl9 s LEU 501 Cb 0.17 -3.49 -0.14 0.00 0.03 0.00 0.00 46.19 42.77 2hl9 s LEU 501 CO 0.66 -0.13 0.19 0.44 0.23 0.00 0.00 176.35 177.74 2hl9 h ASP 502 N 1.97 0.00 -5.15 2.29 3.32 -1.10 -3.43 116.42 114.31 2hl9 h ASP 502 Ca -0.47 -0.41 -0.12 0.00 0.02 0.00 0.00 57.03 56.05 2hl9 h ASP 502 Cb 1.18 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.57 2hl9 h ASP 502 CO 0.67 1.11 -0.59 -0.54 -1.72 0.00 0.00 179.24 178.18 2hl9 s LYS 503 N -2.22 0.60 -0.12 3.56 1.02 -1.21 -0.79 119.74 120.58 2hl9 s LYS 503 Ca -0.20 -0.96 -0.00 0.00 0.02 0.00 0.00 55.97 54.82 2hl9 s LYS 503 Cb 0.03 0.22 0.02 0.00 -0.52 0.00 0.00 37.83 37.58 2hl9 s LYS 503 CO 0.45 -0.14 -0.09 0.42 -0.92 0.00 0.00 175.35 175.07 2hl9 s ILE 504 N -3.20 1.12 -0.17 2.17 1.01 -0.09 -1.87 121.20 120.17 2hl9 s ILE 504 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 2hl9 s ILE 504 Cb 0.02 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.34 2hl9 s ILE 504 CO -0.07 0.38 0.13 -0.36 0.00 0.00 0.00 174.94 175.02 2hl9 s PHE 505 N 1.60 3.46 -0.36 3.97 0.40 -0.17 -0.84 117.98 126.03 2hl9 s PHE 505 Ca 0.04 0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.75 2hl9 s PHE 505 Cb -0.13 -2.08 0.11 0.00 0.51 0.00 0.00 43.02 41.44 2hl9 s PHE 505 CO -0.08 0.44 0.15 0.95 0.70 0.00 0.00 175.22 177.38 2hl9 s THR 506 N -0.13 1.17 0.29 0.64 -4.23 -0.32 -1.34 115.64 111.72 2hl9 s THR 506 Ca 0.10 -1.93 -0.29 0.00 -1.18 0.00 0.00 61.69 58.39 2hl9 s THR 506 Cb -0.11 -1.85 -0.10 0.00 1.34 0.00 0.00 72.50 71.77 2hl9 s THR 506 CO 0.00 -0.76 1.32 -2.16 -0.54 0.00 0.00 174.62 172.47 2hl9 s PRO 507 N 1.06 4.37 -0.12 3.99 0.04 -1.26 -1.61 135.00 141.47 2hl9 s PRO 507 Ca 0.13 2.17 0.02 0.00 0.04 0.00 0.00 61.00 63.37 2hl9 s PRO 507 Cb -0.20 -3.11 0.01 0.00 0.04 0.00 0.00 34.50 31.24 2hl9 s PRO 507 CO -0.13 -0.21 -0.18 0.42 0.04 0.00 0.00 177.00 176.94 2hl9 s ILE 508 N -0.73 1.69 -0.73 0.56 1.09 0.16 -4.33 121.20 118.91 2hl9 s ILE 508 Ca 0.52 -0.76 -0.10 0.00 -1.10 0.00 0.00 60.65 59.20 2hl9 s ILE 508 Cb -0.39 -1.52 0.19 0.00 -1.06 0.00 0.00 42.46 39.68 2hl9 s ILE 508 CO 0.48 0.48 0.63 0.21 -0.10 0.00 0.00 174.94 176.64 2hl9 s ASN 509 N 0.88 6.18 -0.11 3.58 2.47 -1.26 -0.29 114.94 126.39 2hl9 s ASN 509 Ca -0.08 -2.69 -0.30 0.00 0.42 0.00 0.00 52.86 50.22 2hl9 s ASN 509 Cb -0.15 -2.08 -0.03 0.00 -1.45 0.00 0.00 41.25 37.54 2hl9 s ASN 509 CO -0.01 -0.52 1.30 -0.76 -3.72 0.00 0.00 177.10 173.40 2hl9 s LEU 510 N 0.18 4.23 -1.33 3.21 1.43 0.22 -3.54 118.68 123.09 2hl9 s LEU 510 Ca 0.17 1.82 -0.06 0.00 -1.03 0.00 0.00 54.13 55.03 2hl9 s LEU 510 Cb -0.15 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.53 2hl9 s LEU 510 CO -0.06 -0.73 0.84 0.59 0.23 0.00 0.00 176.35 177.22 2hl9 n ASN 511 N 6.17 -5.91 -0.91 2.29 3.02 -1.26 -0.81 115.26 117.84 2hl9 n ASN 511 Ca 0.13 -0.38 -0.03 0.00 -0.03 0.00 0.00 54.58 54.27 2hl9 n ASN 511 Cb 0.45 -4.62 -0.01 0.00 -0.61 0.00 0.00 39.78 34.98 2hl9 n ASN 511 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hl9 n GLN 512 N -4.22 -1.23 0.00 3.52 3.00 -1.23 -4.58 117.38 112.64 2hl9 n GLN 512 Ca -0.04 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 2hl9 n GLN 512 Cb 0.58 -4.04 0.00 0.00 0.00 0.00 0.00 30.24 26.78 2hl9 n GLN 512 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2hl9 n SER 513 N 0.90 1.01 -4.40 1.08 3.41 -0.78 -5.04 113.62 109.80 2hl9 n SER 513 Ca -0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.15 2hl9 n SER 513 Cb 0.11 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.97 2hl9 n SER 513 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2hl9 s HIS 514 N -1.75 3.25 -0.16 7.33 5.65 0.01 -4.91 115.29 124.71 2hl9 s HIS 514 Ca 0.00 -0.90 -0.27 0.00 0.25 0.00 0.00 55.06 54.15 2hl9 s HIS 514 Cb 0.00 -2.94 -0.01 0.00 -1.18 0.00 0.00 32.58 28.45 2hl9 s HIS 514 CO 0.00 -0.74 0.91 -1.58 -0.65 0.00 0.00 174.74 172.68 2hl9 s TRP 515 N 1.63 3.44 0.33 3.88 0.52 -1.26 0.71 118.94 128.20 2hl9 s TRP 515 Ca 0.04 1.38 0.06 0.00 0.02 0.00 0.00 56.10 57.60 2hl9 s TRP 515 Cb -0.22 -3.09 -0.03 0.00 -1.15 0.00 0.00 33.47 28.97 2hl9 s TRP 515 CO 0.07 -0.26 0.23 0.00 0.02 0.00 0.00 176.95 177.01 2hl9 s ALA 516 N 2.21 2.03 -0.02 0.98 0.00 0.61 -4.70 121.76 122.86 2hl9 s ALA 516 Ca 0.42 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.55 2hl9 s ALA 516 Cb -0.17 1.30 0.02 0.00 0.00 0.00 0.00 23.12 24.27 2hl9 s ALA 516 CO 0.13 -0.58 -0.01 -1.17 0.00 0.00 0.00 175.76 174.13 2hl9 s LEU 517 N -3.40 1.44 -0.13 0.00 2.96 -0.29 0.37 118.68 119.63 2hl9 s LEU 517 Ca 0.37 -0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 54.19 2hl9 s LEU 517 Cb 0.03 -0.22 -0.04 0.00 0.50 0.00 0.00 46.19 46.47 2hl9 s LEU 517 CO 0.23 -0.05 0.03 -0.83 -1.32 0.00 0.00 176.35 174.40 2hl9 s GLY 518 N 0.67 1.88 -0.19 7.98 0.00 -0.63 -0.20 107.32 116.82 2hl9 s GLY 518 Ca -0.07 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.89 2hl9 s GLY 518 CO -0.01 -0.27 -0.07 -0.42 0.00 0.00 0.00 173.10 172.32 2hl9 s ILE 519 N -0.31 1.42 -0.35 0.90 1.01 0.32 -1.17 121.20 123.02 2hl9 s ILE 519 Ca 0.07 -0.91 -0.13 0.00 0.00 0.00 0.00 60.65 59.68 2hl9 s ILE 519 Cb -0.12 -1.58 -0.00 0.00 0.01 0.00 0.00 42.46 40.77 2hl9 s ILE 519 CO 0.02 0.10 0.24 -0.63 0.00 0.00 0.00 174.94 174.67 2hl9 s ILE 520 N 1.48 5.13 -0.45 2.92 1.01 -0.02 -0.47 121.20 130.79 2hl9 s ILE 520 Ca -0.01 -0.40 -0.09 0.00 0.00 0.00 0.00 60.65 60.15 2hl9 s ILE 520 Cb -0.16 -3.70 0.11 0.00 0.01 0.00 0.00 42.46 38.72 2hl9 s ILE 520 CO -0.08 -0.08 0.31 -0.62 0.00 0.00 0.00 174.94 174.47 2hl9 s ASP 521 N 1.68 5.65 0.46 3.58 -1.08 0.05 -0.92 116.67 126.09 2hl9 s ASP 521 Ca 0.05 -1.83 0.23 0.00 -0.52 0.00 0.00 52.55 50.48 2hl9 s ASP 521 Cb -0.18 -1.99 1.09 0.00 -1.46 0.00 0.00 42.92 40.38 2hl9 s ASP 521 CO 0.09 -0.65 1.92 -0.07 0.52 0.00 0.00 175.17 176.99 2hl9 h LEU 522 N 8.41 0.00 0.17 -1.34 4.07 -1.22 0.64 115.31 126.03 2hl9 h LEU 522 Ca -0.21 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.51 2hl9 h LEU 522 Cb 1.07 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.84 2hl9 h LEU 522 CO 0.82 0.22 -1.09 0.11 -1.08 0.00 0.00 178.44 177.42 2hl9 h LYS 523 N 0.00 0.36 -0.00 1.13 6.56 -1.83 -3.31 116.57 119.48 2hl9 h LYS 523 Ca -0.00 -0.61 0.00 0.00 -1.06 0.00 0.00 60.65 58.97 2hl9 h LYS 523 Cb 0.57 0.23 0.00 0.00 -0.57 0.00 0.00 32.23 32.46 2hl9 h LYS 523 CO 0.03 1.29 -0.20 1.63 -2.06 0.00 0.00 179.45 180.15 2hl9 n LYS 524 N -3.98 0.35 -3.60 3.15 5.02 -1.22 -4.97 118.16 112.91 2hl9 n LYS 524 Ca -0.16 -0.13 -0.20 0.00 -2.02 0.00 0.00 58.31 55.79 2hl9 n LYS 524 Cb 0.91 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.48 2hl9 n LYS 524 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2hl9 n LYS 525 N -1.21 -5.65 -4.15 1.97 5.02 0.15 -4.91 118.16 109.38 2hl9 n LYS 525 Ca 0.10 0.71 -0.16 0.00 -2.02 0.00 0.00 58.31 56.94 2hl9 n LYS 525 Cb 0.31 -5.46 -0.11 0.00 -0.02 0.00 0.00 35.03 29.74 2hl9 n LYS 525 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2hl9 s THR 526 N -3.54 0.92 -0.19 -0.18 -4.23 -0.81 -1.26 115.64 106.36 2hl9 s THR 526 Ca 0.03 -1.37 0.01 0.00 -1.18 0.00 0.00 61.69 59.18 2hl9 s THR 526 Cb -0.02 -1.07 0.03 0.00 1.34 0.00 0.00 72.50 72.79 2hl9 s THR 526 CO 0.78 -0.38 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.72 2hl9 s ILE 527 N -1.71 1.76 -0.06 2.99 1.01 0.33 -0.77 121.20 124.74 2hl9 s ILE 527 Ca -0.01 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.69 2hl9 s ILE 527 Cb -0.08 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 2hl9 s ILE 527 CO 0.01 0.30 -0.09 -0.83 0.00 0.00 0.00 174.94 174.33 2hl9 s GLY 528 N 1.37 1.66 -0.24 6.18 0.00 0.38 -1.22 107.32 115.45 2hl9 s GLY 528 Ca 0.01 -0.91 -0.06 0.00 0.00 0.00 0.00 44.72 43.76 2hl9 s GLY 528 CO -0.09 -0.69 0.03 -0.47 0.00 0.00 0.00 173.10 171.87 2hl9 s TYR 529 N -0.79 3.04 -0.14 1.90 5.04 -0.10 -0.52 117.35 125.77 2hl9 s TYR 529 Ca 0.12 -0.66 0.02 0.00 -2.44 0.00 0.00 57.07 54.11 2hl9 s TYR 529 Cb -0.11 -2.19 0.01 0.00 0.35 0.00 0.00 41.96 40.03 2hl9 s TYR 529 CO 0.01 -0.45 -0.22 0.08 -1.34 0.00 0.00 175.55 173.64 2hl9 s VAL 530 N 1.55 2.06 -0.13 3.14 1.01 0.72 -0.86 120.40 127.89 2hl9 s VAL 530 Ca 0.06 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 2hl9 s VAL 530 Cb -0.15 -1.82 0.06 0.00 0.00 0.00 0.00 36.38 34.47 2hl9 s VAL 530 CO 0.01 0.55 0.17 -0.62 0.00 0.00 0.00 175.10 175.21 2hl9 s ASP 531 N 0.88 1.12 0.00 3.32 -1.08 -1.26 -1.13 116.67 118.50 2hl9 s ASP 531 Ca -0.06 0.06 0.10 0.00 -0.52 0.00 0.00 52.55 52.14 2hl9 s ASP 531 Cb -0.15 0.26 0.63 0.00 -1.46 0.00 0.00 42.92 42.19 2hl9 s ASP 531 CO -0.03 -0.28 1.38 -1.54 0.52 0.00 0.00 175.17 175.21 2hl9 n SER 532 N 5.32 0.00 -2.64 -0.34 3.41 -1.26 -3.14 113.62 114.96 2hl9 n SER 532 Ca -0.05 -1.61 -0.11 0.00 -0.26 0.00 0.00 58.87 56.84 2hl9 n SER 532 Cb 0.50 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.47 2hl9 n SER 532 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2hl9 n LEU 533 N -0.67 1.93 -4.68 1.04 7.94 -1.26 -1.46 117.00 119.85 2hl9 n LEU 533 Ca 0.08 -3.87 -0.42 0.00 -1.11 0.00 0.00 56.01 50.68 2hl9 n LEU 533 Cb 0.04 0.30 -0.03 0.00 0.53 0.00 0.00 43.42 44.27 2hl9 n LEU 533 CO 0.06 1.62 0.99 -0.55 -1.11 0.00 0.00 177.39 178.40 2hl9 s SER 534 N -3.24 7.02 0.41 1.96 0.15 -1.19 -4.90 113.70 113.92 2hl9 s SER 534 Ca 0.30 1.79 0.23 0.00 0.70 0.00 0.00 55.95 58.98 2hl9 s SER 534 Cb 0.44 -2.55 0.36 0.00 -1.71 0.00 0.00 66.02 62.56 2hl9 s SER 534 CO 0.00 -0.63 1.60 0.78 1.20 0.00 0.00 173.24 176.19 2hl9 h ASN 535 N 7.65 0.00 -4.99 5.45 4.21 -2.00 -3.51 115.58 122.40 2hl9 h ASN 535 Ca -0.32 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.19 2hl9 h ASN 535 Cb 1.15 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.35 2hl9 h ASN 535 CO 0.90 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 177.65 2hl9 n GLY 536 N 1.12 0.81 3.64 2.83 0.00 -1.26 -5.04 105.19 107.29 2hl9 n GLY 536 Ca 0.04 -2.32 -0.49 0.00 0.00 0.00 0.00 46.02 43.24 2hl9 n GLY 536 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hl9 n PRO 537 N -0.90 1.72 -3.72 1.61 -0.02 -1.26 -4.98 135.00 127.44 2hl9 n PRO 537 Ca 0.00 0.62 -0.15 0.00 -2.02 0.00 0.00 63.50 61.95 2hl9 n PRO 537 Cb 0.00 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.08 2hl9 n PRO 537 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2hl9 n ASN 538 N 3.54 -0.48 -0.31 2.55 0.23 -1.26 -5.06 115.26 114.47 2hl9 n ASN 538 Ca 0.19 -2.69 -0.03 0.00 -0.53 0.00 0.00 54.58 51.52 2hl9 n ASN 538 Cb 0.24 1.27 0.09 0.00 -2.08 0.00 0.00 39.78 39.30 2hl9 n ASN 538 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2hl9 h ALA 539 N 1.81 1.09 -0.16 -2.53 0.00 -1.99 -2.26 119.26 115.22 2hl9 h ALA 539 Ca -0.18 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2hl9 h ALA 539 Cb 0.92 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2hl9 h ALA 539 CO 0.27 0.43 -0.09 0.52 0.00 0.00 0.00 179.25 180.38 2hl9 h MET 540 N 1.10 0.34 -0.75 0.00 2.86 -1.99 -2.02 114.93 114.48 2hl9 h MET 540 Ca 0.32 -0.15 0.05 0.00 -2.06 0.00 0.00 59.70 57.86 2hl9 h MET 540 Cb -0.07 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.53 2hl9 h MET 540 CO -0.09 0.67 0.45 0.66 1.06 0.00 0.00 176.91 179.66 2hl9 h SER 541 N 0.00 0.70 -0.55 1.22 4.64 -1.93 -1.40 113.55 116.24 2hl9 h SER 541 Ca 0.03 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.39 2hl9 h SER 541 Cb 0.57 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 2hl9 h SER 541 CO 0.03 0.46 0.35 -0.26 -0.87 0.00 0.00 176.83 176.53 2hl9 h PHE 542 N 0.84 0.66 -0.39 4.77 0.05 -1.36 -1.72 116.94 119.79 2hl9 h PHE 542 Ca 0.33 0.02 -0.03 0.00 3.82 0.00 0.00 57.97 62.10 2hl9 h PHE 542 Cb 0.15 -0.22 -0.02 0.00 2.00 0.00 0.00 35.95 37.86 2hl9 h PHE 542 CO -0.05 0.40 0.13 0.00 -0.18 0.00 0.00 178.31 178.60 2hl9 h ALA 543 N 1.22 0.51 0.01 2.45 0.00 -1.00 -1.63 119.26 120.82 2hl9 h ALA 543 Ca 0.21 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2hl9 h ALA 543 Cb -0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 2hl9 h ALA 543 CO -0.07 0.15 -0.33 0.82 0.00 0.00 0.00 179.25 179.82 2hl9 h ILE 544 N 0.48 0.28 -0.70 0.00 2.04 -1.11 -0.70 117.51 117.81 2hl9 h ILE 544 Ca 0.13 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.08 2hl9 h ILE 544 Cb 0.25 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 36.54 2hl9 h ILE 544 CO -0.00 0.00 0.34 -0.07 0.00 0.00 0.00 178.15 178.42 2hl9 h LEU 545 N -0.49 0.45 0.09 1.44 3.38 -1.23 -0.65 115.31 118.29 2hl9 h LEU 545 Ca 0.06 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2hl9 h LEU 545 Cb 0.57 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2hl9 h LEU 545 CO -0.27 0.25 -0.09 0.74 0.09 0.00 0.00 178.44 179.17 2hl9 h THR 546 N 0.59 0.80 -0.64 0.22 2.02 -1.08 -1.27 112.91 113.55 2hl9 h THR 546 Ca 0.35 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.50 2hl9 h THR 546 Cb 0.37 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 2hl9 h THR 546 CO -0.27 0.00 0.32 0.44 0.37 0.00 0.00 175.52 176.38 2hl9 h ASP 547 N -0.20 0.83 -0.45 4.18 3.32 -0.91 -0.74 116.42 122.45 2hl9 h ASP 547 Ca 0.00 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 56.82 2hl9 h ASP 547 Cb 0.19 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2hl9 h ASP 547 CO -0.02 0.72 -0.12 -0.07 -1.72 0.00 0.00 179.24 178.04 2hl9 h LEU 548 N 0.88 0.92 -0.66 1.55 3.38 -0.96 -0.81 115.31 119.62 2hl9 h LEU 548 Ca 0.22 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2hl9 h LEU 548 Cb 0.10 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2hl9 h LEU 548 CO -0.03 1.05 0.33 -0.61 0.09 0.00 0.00 178.44 179.26 2hl9 h GLN 549 N 0.83 0.95 -0.83 1.13 4.15 -1.06 -1.50 115.11 118.77 2hl9 h GLN 549 Ca 0.13 -0.13 0.01 0.00 0.77 0.00 0.00 58.65 59.43 2hl9 h GLN 549 Cb 0.65 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 28.12 2hl9 h GLN 549 CO 0.05 0.74 0.55 0.87 -1.93 0.00 0.00 178.83 179.11 2hl9 h LYS 550 N 0.91 1.08 0.14 1.69 1.57 -0.71 -1.36 116.57 119.90 2hl9 h LYS 550 Ca 0.23 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2hl9 h LYS 550 Cb 0.10 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2hl9 h LYS 550 CO -0.03 0.72 -0.16 -0.92 -0.57 0.00 0.00 179.45 178.49 2hl9 h TYR 551 N 1.11 -0.41 -0.89 -1.35 3.20 -0.72 -1.26 116.97 116.66 2hl9 h TYR 551 Ca 0.31 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.20 2hl9 h TYR 551 Cb -0.11 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 2hl9 h TYR 551 CO -0.02 -0.24 0.58 0.28 -1.64 0.00 0.00 178.16 177.13 2hl9 h VAL 552 N -0.34 1.20 -0.46 1.81 2.07 -0.95 0.14 116.25 119.73 2hl9 h VAL 552 Ca 0.01 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2hl9 h VAL 552 Cb 0.33 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 2hl9 h VAL 552 CO -0.05 0.21 0.29 0.24 0.02 0.00 0.00 177.57 178.28 2hl9 h MET 553 N 1.17 0.61 0.27 1.57 2.86 -0.97 -2.23 114.93 118.22 2hl9 h MET 553 Ca 0.33 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.91 2hl9 h MET 553 Cb -0.09 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.44 2hl9 h MET 553 CO -0.09 0.43 -0.13 0.93 1.06 0.00 0.00 176.91 179.11 2hl9 h GLU 554 N 0.62 -0.35 -0.79 1.72 4.39 -0.94 0.79 114.58 120.02 2hl9 h GLU 554 Ca 0.17 0.02 0.17 0.00 0.34 0.00 0.00 59.36 60.06 2hl9 h GLU 554 Cb -0.04 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.64 2hl9 h GLU 554 CO -0.03 -0.02 0.53 1.49 -1.16 0.00 0.00 179.01 179.82 2hl9 h GLU 555 N -0.93 0.34 -0.09 2.33 4.57 -0.77 0.50 114.58 120.52 2hl9 h GLU 555 Ca -0.04 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2hl9 h GLU 555 Cb 0.50 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 2hl9 h GLU 555 CO 0.06 0.22 0.00 -1.13 -1.18 0.00 0.00 179.01 176.99 2hl9 n SER 556 N -4.46 0.81 -3.67 1.04 3.41 -0.84 -4.87 113.62 105.04 2hl9 n SER 556 Ca 0.16 -1.60 -0.27 0.00 -0.26 0.00 0.00 58.87 56.89 2hl9 n SER 556 Cb 0.62 -0.06 0.03 0.00 -0.26 0.00 0.00 64.21 64.54 2hl9 n SER 556 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2hl9 n LYS 557 N -0.23 -5.45 -3.21 4.33 5.02 0.17 -2.84 118.16 115.94 2hl9 n LYS 557 Ca 0.14 0.65 -0.16 0.00 -2.02 0.00 0.00 58.31 56.93 2hl9 n LYS 557 Cb 0.19 -5.54 0.06 0.00 -0.02 0.00 0.00 35.03 29.71 2hl9 n LYS 557 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2hl9 n HIS 558 N -4.60 -1.92 -0.03 2.13 8.25 0.27 -4.93 115.22 114.40 2hl9 n HIS 558 Ca 0.01 0.69 0.01 0.00 -0.26 0.00 0.00 57.72 58.17 2hl9 n HIS 558 Cb 0.54 -3.85 -0.09 0.00 1.12 0.00 0.00 29.99 27.71 2hl9 n HIS 558 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2hl9 n THR 559 N -4.05 0.35 -4.01 1.59 -2.24 -1.13 -5.04 114.28 99.74 2hl9 n THR 559 Ca -0.03 -0.35 -0.09 0.00 -2.27 0.00 0.00 64.05 61.31 2hl9 n THR 559 Cb 0.55 -0.21 -0.08 0.00 -2.10 0.00 0.00 70.33 68.49 2hl9 n THR 559 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2hl9 s ILE 560 N -2.54 0.13 0.00 2.28 -4.36 -1.26 -4.97 121.20 110.47 2hl9 s ILE 560 Ca -0.05 -1.56 0.00 0.00 -0.26 0.00 0.00 60.65 58.79 2hl9 s ILE 560 Cb 0.05 -1.70 0.00 0.00 1.25 0.00 0.00 42.46 42.07 2hl9 s ILE 560 CO 0.46 -0.58 0.00 0.61 0.24 0.00 0.00 174.94 175.67 2hl9 n GLY 561 N -0.08 2.29 0.26 6.27 0.00 -1.26 -3.65 105.19 109.03 2hl9 n GLY 561 Ca -0.10 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.55 2hl9 n GLY 561 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2hl9 h GLU 562 N 0.00 0.00 -0.56 1.61 9.09 -1.93 -2.39 114.58 120.40 2hl9 h GLU 562 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2hl9 h GLU 562 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2hl9 h GLU 562 CO 0.00 0.00 0.00 -0.40 0.05 0.00 0.00 179.01 178.66 2hl9 n ASP 563 N -4.53 4.53 -4.77 3.06 5.75 -1.26 -5.02 116.55 114.31 2hl9 n ASP 563 Ca -0.03 -2.52 -0.37 0.00 -0.01 0.00 0.00 54.79 51.87 2hl9 n ASP 563 Cb 0.10 -0.54 -0.02 0.00 -1.03 0.00 0.00 41.12 39.63 2hl9 n ASP 563 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2hl9 s PHE 564 N -1.97 2.95 0.04 2.11 0.40 -0.90 -5.00 117.98 115.61 2hl9 s PHE 564 Ca 0.47 1.56 -0.30 0.00 -0.60 0.00 0.00 56.93 58.06 2hl9 s PHE 564 Cb 0.32 -3.31 -0.04 0.00 0.51 0.00 0.00 43.02 40.50 2hl9 s PHE 564 CO 0.21 -1.29 0.99 -0.51 0.70 0.00 0.00 175.22 175.32 2hl9 s ASP 565 N -1.45 7.39 -0.47 1.36 1.01 -0.39 -4.87 116.67 119.25 2hl9 s ASP 565 Ca 0.63 1.72 -0.11 0.00 0.71 0.00 0.00 52.55 55.50 2hl9 s ASP 565 Cb -0.26 -2.58 0.11 0.00 1.01 0.00 0.00 42.92 41.20 2hl9 s ASP 565 CO 0.32 -0.22 0.35 -0.76 0.21 0.00 0.00 175.17 175.07 2hl9 s LEU 566 N 0.71 5.63 0.26 1.23 1.43 -1.26 -0.52 118.68 126.16 2hl9 s LEU 566 Ca 0.51 -1.75 0.08 0.00 -1.03 0.00 0.00 54.13 51.94 2hl9 s LEU 566 Cb -0.22 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.90 2hl9 s LEU 566 CO 0.29 -0.67 -0.11 0.27 0.23 0.00 0.00 176.35 176.35 2hl9 s ILE 567 N 1.43 1.89 -0.32 -0.59 -0.00 -0.35 -5.01 121.20 118.25 2hl9 s ILE 567 Ca 0.04 -2.21 -0.09 0.00 -0.00 0.00 0.00 60.65 58.39 2hl9 s ILE 567 Cb -0.26 -2.32 0.00 0.00 -0.00 0.00 0.00 42.46 39.88 2hl9 s ILE 567 CO 0.01 -0.40 0.15 -1.00 -0.00 0.00 0.00 174.94 173.70 2hl9 s HIS 568 N -2.87 3.19 -0.24 1.37 3.76 -1.26 -0.92 115.29 118.31 2hl9 s HIS 568 Ca 0.28 -0.73 -0.17 0.00 -0.15 0.00 0.00 55.06 54.29 2hl9 s HIS 568 Cb 0.01 -2.35 -0.03 0.00 1.11 0.00 0.00 32.58 31.31 2hl9 s HIS 568 CO 0.11 -0.52 0.45 -0.51 -0.85 0.00 0.00 174.74 173.43 2hl9 s LEU 569 N 1.58 4.08 0.35 0.89 2.01 -0.04 -4.92 118.68 122.63 2hl9 s LEU 569 Ca 0.04 0.48 -0.27 0.00 0.01 0.00 0.00 54.13 54.38 2hl9 s LEU 569 Cb -0.17 -2.57 -0.09 0.00 0.01 0.00 0.00 46.19 43.36 2hl9 s LEU 569 CO 0.06 -0.20 1.19 -1.81 1.01 0.00 0.00 176.35 176.60 2hl9 s ASP 570 N 1.42 6.79 0.17 2.29 1.01 -1.26 -4.46 116.67 122.63 2hl9 s ASP 570 Ca 0.19 2.43 -0.05 0.00 0.71 0.00 0.00 52.55 55.84 2hl9 s ASP 570 Cb -0.15 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.12 2hl9 s ASP 570 CO 0.09 -0.49 0.20 0.00 0.21 0.00 0.00 175.17 175.18 2hl9 n PRO 572 N -0.21 2.38 -3.38 0.00 -0.02 -1.25 -4.93 135.00 127.59 2hl9 n PRO 572 Ca -0.04 0.85 -0.37 0.00 -2.02 0.00 0.00 63.50 61.92 2hl9 n PRO 572 Cb 0.64 -2.56 -0.06 0.00 -0.02 0.00 0.00 33.50 31.49 2hl9 n PRO 572 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2hl9 s GLN 573 N -0.56 4.03 0.38 -0.52 -1.52 -1.26 -4.57 119.66 115.63 2hl9 s GLN 573 Ca 0.65 0.54 -0.23 0.00 -1.95 0.00 0.00 55.36 54.36 2hl9 s GLN 573 Cb -0.56 -3.12 -0.10 0.00 -0.22 0.00 0.00 33.01 29.00 2hl9 s GLN 573 CO 0.50 0.60 0.95 1.14 -0.25 0.00 0.00 175.29 178.23 2hl9 s GLN 574 N -1.42 4.39 0.00 2.91 -2.07 -0.53 -4.95 119.66 117.99 2hl9 s GLN 574 Ca 0.30 1.22 0.27 0.00 -1.82 0.00 0.00 55.36 55.33 2hl9 s GLN 574 Cb -0.17 -2.46 1.17 0.00 -1.09 0.00 0.00 33.01 30.46 2hl9 s GLN 574 CO 0.17 0.11 1.81 -0.35 -1.32 0.00 0.00 175.29 175.71 2hl9 n PRO 575 N -0.10 1.52 -2.44 9.60 -0.04 -1.26 -4.94 135.00 137.34 2hl9 n PRO 575 Ca 0.05 -0.76 -0.04 0.00 -0.04 0.00 0.00 63.50 62.71 2hl9 n PRO 575 Cb 0.52 -1.46 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 2hl9 n PRO 575 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2hl9 n ASN 576 N -0.07 -0.15 -0.65 3.54 0.23 -1.26 -5.09 115.26 111.81 2hl9 n ASN 576 Ca 0.19 -1.45 0.06 0.00 -0.53 0.00 0.00 54.58 52.85 2hl9 n ASN 576 Cb 0.29 0.35 0.14 0.00 -2.08 0.00 0.00 39.78 38.49 2hl9 n ASN 576 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hl9 n GLY 577 N -0.13 2.13 0.00 4.83 0.00 -1.26 -4.66 105.19 106.10 2hl9 n GLY 577 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2hl9 n GLY 577 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2hl9 n TYR 578 N 0.61 0.00 -2.99 1.61 0.18 -1.26 -5.08 117.16 110.24 2hl9 n TYR 578 Ca 0.11 0.00 -0.44 0.00 1.88 0.00 0.00 57.90 59.45 2hl9 n TYR 578 Cb 0.41 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.37 2hl9 n TYR 578 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 2hl9 n ASP 579 N -0.35 5.30 0.00 9.48 8.00 -1.26 -4.32 116.55 133.40 2hl9 n ASP 579 Ca 0.00 -3.01 0.00 0.00 0.71 0.00 0.00 54.79 52.49 2hl9 n ASP 579 Cb 0.04 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 39.62 2hl9 n ASP 579 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hl9 n GLY 581 N 3.68 0.00 0.23 0.44 0.00 -1.26 -0.90 105.19 107.37 2hl9 n GLY 581 Ca 0.34 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.25 2hl9 n GLY 581 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2hl9 h ILE 582 N 0.00 1.28 -0.75 -0.61 1.08 -1.95 -2.59 117.51 113.97 2hl9 h ILE 582 Ca 0.00 -1.25 -0.01 0.00 -0.39 0.00 0.00 64.86 63.21 2hl9 h ILE 582 Cb 0.00 1.31 -0.04 0.00 -3.07 0.00 0.00 36.82 35.03 2hl9 h ILE 582 CO 0.00 0.41 0.42 1.88 -0.69 0.00 0.00 178.15 180.18 2hl9 h TYR 583 N 0.55 1.00 -0.36 1.37 -1.99 -1.41 -0.66 116.97 115.47 2hl9 h TYR 583 Ca 0.09 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.81 2hl9 h TYR 583 Cb 0.68 -0.33 -0.02 0.00 2.00 0.00 0.00 36.73 39.06 2hl9 h TYR 583 CO 0.06 0.69 0.23 0.28 -0.00 0.00 0.00 178.16 179.42 2hl9 h VAL 584 N 1.04 1.09 -0.48 -2.88 2.07 -1.80 0.87 116.25 116.15 2hl9 h VAL 584 Ca 0.27 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.66 2hl9 h VAL 584 Cb 0.00 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 2hl9 h VAL 584 CO -0.05 0.09 0.25 0.00 0.02 0.00 0.00 177.57 177.88 2hl9 h MET 586 N 0.49 0.94 -0.47 0.00 2.07 -0.89 0.46 114.93 117.53 2hl9 h MET 586 Ca 0.21 -0.24 -0.04 0.00 -2.07 0.00 0.00 59.70 57.56 2hl9 h MET 586 Cb 0.10 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 29.69 2hl9 h MET 586 CO -0.14 0.89 0.14 -0.91 1.07 0.00 0.00 176.91 177.97 2hl9 h ASN 587 N 0.84 0.64 -0.09 1.22 2.35 -0.61 0.74 115.58 120.67 2hl9 h ASN 587 Ca 0.18 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2hl9 h ASN 587 Cb 0.39 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 2hl9 h ASN 587 CO 0.01 0.62 -0.04 0.74 -1.65 0.00 0.00 177.43 177.10 2hl9 h THR 588 N 0.68 1.32 0.32 2.81 2.02 -0.76 0.06 112.91 119.36 2hl9 h THR 588 Ca 0.16 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 2hl9 h THR 588 Cb 0.21 1.84 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 2hl9 h THR 588 CO -0.01 0.29 -0.18 0.25 0.37 0.00 0.00 175.52 176.25 2hl9 h LEU 589 N -0.18 -0.43 -0.57 2.58 5.85 -0.59 0.25 115.31 122.22 2hl9 h LEU 589 Ca 0.02 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2hl9 h LEU 589 Cb 0.49 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2hl9 h LEU 589 CO 0.01 -0.29 0.35 1.88 -0.34 0.00 0.00 178.44 180.05 2hl9 h TYR 590 N -0.46 0.74 -0.70 1.25 -1.99 -0.92 -2.50 116.97 112.38 2hl9 h TYR 590 Ca -0.04 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.67 2hl9 h TYR 590 Cb 0.37 -0.25 -0.03 0.00 2.00 0.00 0.00 36.73 38.83 2hl9 h TYR 590 CO -0.07 0.51 0.34 0.78 -0.00 0.00 0.00 178.16 179.71 2hl9 h GLY 591 N 0.77 1.08 2.00 3.88 0.00 -0.83 -1.45 103.07 108.52 2hl9 h GLY 591 Ca 0.20 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 2hl9 h GLY 591 CO -0.04 0.51 -0.02 1.48 0.00 0.00 0.00 176.54 178.47 2hl9 h SER 592 N 0.98 0.00 -0.26 0.19 4.64 -0.11 -1.56 113.55 117.42 2hl9 h SER 592 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2hl9 h SER 592 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2hl9 h SER 592 CO -0.03 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.95 2hl9 n ALA 593 N -2.33 2.45 -2.68 5.18 0.00 -0.64 -4.94 120.51 117.55 2hl9 n ALA 593 Ca -0.03 -0.85 -0.20 0.00 0.00 0.00 0.00 53.44 52.36 2hl9 n ALA 593 Cb 0.11 -0.89 0.01 0.00 0.00 0.00 0.00 19.45 18.67 2hl9 n ALA 593 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2hl9 n ASP 594 N 1.32 -5.48 -4.86 0.00 8.00 -0.59 -4.98 116.55 109.95 2hl9 n ASP 594 Ca 0.18 -0.10 -0.36 0.00 0.71 0.00 0.00 54.79 55.22 2hl9 n ASP 594 Cb 0.57 -4.53 -0.06 0.00 -0.02 0.00 0.00 41.12 37.09 2hl9 n ASP 594 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hl9 s ALA 595 N -3.01 3.78 0.25 2.24 0.00 -0.64 -5.03 121.76 119.35 2hl9 s ALA 595 Ca 0.13 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 2hl9 s ALA 595 Cb -0.06 -2.20 -0.14 0.00 0.00 0.00 0.00 23.12 20.72 2hl9 s ALA 595 CO 0.16 0.57 1.10 -2.30 0.00 0.00 0.00 175.76 175.29 2hl9 n PRO 596 N 1.47 1.36 -1.78 0.00 -0.02 -1.26 -4.38 135.00 130.39 2hl9 n PRO 596 Ca -0.13 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.41 2hl9 n PRO 596 Cb 0.53 -1.92 -0.00 0.00 -0.02 0.00 0.00 33.50 32.08 2hl9 n PRO 596 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2hl9 n LEU 597 N 1.58 6.40 -0.66 2.45 4.77 -1.26 -4.52 117.00 125.77 2hl9 n LEU 597 Ca 0.12 -4.01 0.06 0.00 -0.03 0.00 0.00 56.01 52.14 2hl9 n LEU 597 Cb 0.29 -1.63 0.14 0.00 -2.33 0.00 0.00 43.42 39.89 2hl9 n LEU 597 CO 0.61 0.86 0.33 -0.90 -1.33 0.00 0.00 177.39 176.96 2hl9 n ASP 598 N 6.55 1.55 -4.72 -1.43 5.68 -1.26 -3.94 116.55 118.97 2hl9 n ASP 598 Ca 0.51 -3.17 -0.30 0.00 -0.50 0.00 0.00 54.79 51.33 2hl9 n ASP 598 Cb 0.40 -0.43 0.13 0.00 -1.14 0.00 0.00 41.12 40.08 2hl9 n ASP 598 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 2hl9 s PHE 599 N -2.21 2.28 0.44 2.11 -0.12 -1.26 -5.06 117.98 114.15 2hl9 s PHE 599 Ca 0.33 1.43 0.06 0.00 -0.05 0.00 0.00 56.93 58.69 2hl9 s PHE 599 Cb 0.32 -3.14 -0.06 0.00 -0.63 0.00 0.00 43.02 39.52 2hl9 s PHE 599 CO -0.06 -2.30 0.07 0.16 -0.05 0.00 0.00 175.22 173.04 2hl9 s ASP 600 N -3.27 4.09 0.42 1.98 1.47 -1.26 -4.71 116.67 115.38 2hl9 s ASP 600 Ca 0.63 -1.35 0.09 0.00 1.18 0.00 0.00 52.55 53.10 2hl9 s ASP 600 Cb -0.19 -0.21 0.93 0.00 -0.34 0.00 0.00 42.92 43.11 2hl9 s ASP 600 CO 0.57 -0.58 2.05 0.22 0.68 0.00 0.00 175.17 178.12 2hl9 h TYR 601 N 1.57 0.45 -0.87 2.11 3.20 -1.98 -1.51 116.97 119.95 2hl9 h TYR 601 Ca -0.43 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.45 2hl9 h TYR 601 Cb 1.26 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.33 2hl9 h TYR 601 CO 0.87 0.27 0.55 0.87 -1.64 0.00 0.00 178.16 179.08 2hl9 h LYS 602 N 0.48 1.16 -0.82 1.82 1.79 -2.00 -2.32 116.57 116.67 2hl9 h LYS 602 Ca 0.16 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 2hl9 h LYS 602 Cb 0.07 -0.25 -0.04 0.00 -1.58 0.00 0.00 32.23 30.43 2hl9 h LYS 602 CO -0.04 0.79 0.43 -0.44 -1.08 0.00 0.00 179.45 179.11 2hl9 h ASP 603 N 1.19 1.04 -0.61 0.86 3.32 -1.70 -2.89 116.42 117.62 2hl9 h ASP 603 Ca 0.31 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 2hl9 h ASP 603 Cb -0.09 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.16 2hl9 h ASP 603 CO -0.06 0.85 0.25 0.00 -1.72 0.00 0.00 179.24 178.55 2hl9 h ALA 604 N 1.32 1.23 -0.57 3.45 0.00 -0.93 -1.74 119.26 122.02 2hl9 h ALA 604 Ca 0.29 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2hl9 h ALA 604 Cb 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2hl9 h ALA 604 CO -0.04 0.56 -0.09 0.82 0.00 0.00 0.00 179.25 180.50 2hl9 h ILE 605 N 0.93 1.27 -0.54 0.00 2.04 -1.27 -2.90 117.51 117.04 2hl9 h ILE 605 Ca 0.22 -1.25 -0.03 0.00 1.00 0.00 0.00 64.86 64.80 2hl9 h ILE 605 Cb 0.19 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2hl9 h ILE 605 CO -0.02 0.45 0.20 0.03 0.00 0.00 0.00 178.15 178.81 2hl9 h ARG 606 N 0.94 0.78 -0.69 2.37 3.08 -1.29 -3.11 114.38 116.46 2hl9 h ARG 606 Ca 0.15 -0.12 0.06 0.00 0.07 0.00 0.00 59.98 60.14 2hl9 h ARG 606 Cb 0.66 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 2hl9 h ARG 606 CO 0.05 0.65 0.40 1.98 -1.07 0.00 0.00 179.97 181.97 2hl9 h MET 607 N 0.77 0.72 -0.64 0.04 4.05 -1.12 0.30 114.93 119.04 2hl9 h MET 607 Ca 0.18 -0.04 0.13 0.00 -0.28 0.00 0.00 59.70 59.69 2hl9 h MET 607 Cb 0.17 -0.16 -0.10 0.00 -0.80 0.00 0.00 31.60 30.72 2hl9 h MET 607 CO -0.02 0.47 0.12 0.00 0.23 0.00 0.00 176.91 177.72 2hl9 h ARG 608 N 0.74 0.23 -0.20 0.39 3.08 -1.52 -0.11 114.38 116.99 2hl9 h ARG 608 Ca 0.31 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 60.18 2hl9 h ARG 608 Cb 0.17 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 2hl9 h ARG 608 CO -0.17 0.15 -0.55 0.00 -1.07 0.00 0.00 179.97 178.33 2hl9 h ARG 609 N 0.24 0.61 0.05 0.04 2.47 -1.44 -2.06 114.38 114.29 2hl9 h ARG 609 Ca 0.35 -0.39 -0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2hl9 h ARG 609 Cb 0.55 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2hl9 h ARG 609 CO -0.45 1.00 -0.03 0.35 0.56 0.00 0.00 179.97 181.40 2hl9 h PHE 610 N 0.47 -0.07 -0.32 3.04 3.57 -0.19 -0.50 116.94 122.95 2hl9 h PHE 610 Ca 0.01 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 2hl9 h PHE 610 Cb 1.10 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 2hl9 h PHE 610 CO 0.05 0.15 0.05 0.82 -2.23 0.00 0.00 178.31 177.15 2hl9 h ILE 611 N -0.28 1.23 -0.70 1.41 2.04 -1.02 0.12 117.51 120.31 2hl9 h ILE 611 Ca -0.01 -0.81 0.15 0.00 1.00 0.00 0.00 64.86 65.20 2hl9 h ILE 611 Cb 0.25 1.15 -0.11 0.00 -0.74 0.00 0.00 36.82 37.37 2hl9 h ILE 611 CO 0.01 0.27 0.12 0.00 0.00 0.00 0.00 178.15 178.55 2hl9 h ALA 612 N 0.89 0.85 -0.64 1.87 0.00 -1.33 -1.06 119.26 119.83 2hl9 h ALA 612 Ca 0.10 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.20 2hl9 h ALA 612 Cb 0.34 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2hl9 h ALA 612 CO 0.01 -0.36 0.41 1.25 0.00 0.00 0.00 179.25 180.56 2hl9 h HIS 613 N 0.21 0.78 -0.82 0.00 -0.00 -0.43 -2.27 115.15 112.62 2hl9 h HIS 613 Ca 0.39 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.76 2hl9 h HIS 613 Cb 0.66 -0.26 -0.04 0.00 -0.00 0.00 0.00 27.41 27.77 2hl9 h HIS 613 CO -0.30 0.48 0.43 -0.07 -0.00 0.00 0.00 177.93 178.47 2hl9 h LEU 614 N 0.84 1.04 -0.03 0.26 3.38 -0.38 -0.13 115.31 120.28 2hl9 h LEU 614 Ca 0.24 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2hl9 h LEU 614 Cb -0.07 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.42 2hl9 h LEU 614 CO -0.07 0.85 0.01 0.40 0.09 0.00 0.00 178.44 179.73 2hl9 h ILE 615 N 1.14 1.15 0.00 1.22 2.04 -0.92 -1.38 117.51 120.76 2hl9 h ILE 615 Ca 0.29 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 2hl9 h ILE 615 Cb 0.06 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2hl9 h ILE 615 CO -0.04 0.12 -0.18 -0.07 0.00 0.00 0.00 178.15 177.98 2hl9 h LEU 616 N -0.13 0.00 -0.87 1.44 3.38 -1.09 -1.92 115.31 116.11 2hl9 h LEU 616 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2hl9 h LEU 616 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2hl9 h LEU 616 CO -0.00 0.18 0.00 0.35 0.09 0.00 0.00 178.44 179.06 2hl9 n THR 617 N -4.19 0.11 -3.60 0.22 -2.24 -0.09 -4.95 114.28 99.53 2hl9 n THR 617 Ca -0.02 -0.26 -0.25 0.00 -2.27 0.00 0.00 64.05 61.25 2hl9 n THR 617 Cb 0.25 0.29 0.04 0.00 -2.10 0.00 0.00 70.33 68.81 2hl9 n THR 617 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2hl9 n ASP 618 N 0.07 -4.33 0.20 3.42 2.03 -0.72 -4.84 116.55 112.38 2hl9 n ASP 618 Ca 0.17 -0.90 0.15 0.00 0.52 0.00 0.00 54.79 54.73 2hl9 n ASP 618 Cb 0.30 -3.94 0.68 0.00 -0.72 0.00 0.00 41.12 37.43 2hl9 n ASP 618 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hl9 h ALA 619 N 0.63 1.00 -0.19 -1.67 0.00 -1.50 -2.50 119.26 115.04 2hl9 h ALA 619 Ca -0.64 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2hl9 h ALA 619 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2hl9 h ALA 619 CO 0.50 0.00 0.00 1.28 0.00 0.00 0.00 179.25 181.03 2hl9 n LEU 620 N -2.57 1.89 0.00 0.00 4.77 -1.26 -5.06 117.00 114.76 2hl9 n LEU 620 Ca 0.00 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 2hl9 n LEU 620 Cb 0.17 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2hl9 n LEU 620 CO 0.19 0.33 0.00 2.29 -1.33 0.00 0.00 177.39 178.87