#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ijq s ALA 378 N 0.00 3.58 0.16 -1.39 0.00 -1.26 -4.86 121.76 118.00 1ijq s ALA 378 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 51.96 52.02 1ijq s ALA 378 Cb 0.00 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 1ijq s ALA 378 CO 0.00 0.42 -0.17 0.71 0.00 0.00 0.00 175.76 176.72 1ijq s TYR 379 N -1.25 1.75 -0.14 0.00 2.02 -0.83 -3.75 117.35 115.15 1ijq s TYR 379 Ca 0.32 -0.49 -0.03 0.00 -0.37 0.00 0.00 57.07 56.50 1ijq s TYR 379 Cb -0.18 -0.87 -0.03 0.00 -0.40 0.00 0.00 41.96 40.49 1ijq s TYR 379 CO 0.19 0.31 -0.03 -0.51 -1.57 0.00 0.00 175.55 173.94 1ijq s LEU 380 N -2.73 3.33 -0.12 -1.29 1.43 0.43 -0.20 118.68 119.53 1ijq s LEU 380 Ca 0.16 -0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1ijq s LEU 380 Cb -0.05 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 1ijq s LEU 380 CO 0.06 0.22 -0.11 -0.36 0.23 0.00 0.00 176.35 176.39 1ijq s PHE 381 N 0.09 2.86 0.01 0.29 0.08 -0.23 -1.73 117.98 119.36 1ijq s PHE 381 Ca 0.00 -0.44 -0.08 0.00 0.12 0.00 0.00 56.93 56.53 1ijq s PHE 381 Cb -0.13 -1.83 0.00 0.00 -0.57 0.00 0.00 43.02 40.49 1ijq s PHE 381 CO 0.02 -0.07 0.16 -0.59 -0.10 0.00 0.00 175.22 174.65 1ijq s PHE 382 N 0.10 0.04 0.27 0.36 -0.12 -0.15 -0.88 117.98 117.59 1ijq s PHE 382 Ca -0.04 -0.15 -0.29 0.00 -0.05 0.00 0.00 56.93 56.39 1ijq s PHE 382 Cb -0.14 -0.04 -0.09 0.00 -0.63 0.00 0.00 43.02 42.12 1ijq s PHE 382 CO 0.04 -0.33 0.98 0.95 -0.05 0.00 0.00 175.22 176.80 1ijq s THR 383 N -1.71 3.96 -0.30 -4.49 -4.23 -0.01 -0.46 115.64 108.40 1ijq s THR 383 Ca -0.12 1.90 0.18 0.00 -1.18 0.00 0.00 61.69 62.47 1ijq s THR 383 Cb -0.06 -4.17 0.48 0.00 1.34 0.00 0.00 72.50 70.09 1ijq s THR 383 CO 0.00 0.39 1.05 -3.20 -0.54 0.00 0.00 174.62 172.32 1ijq n ASN 384 N 1.21 2.01 0.00 3.99 5.15 0.28 -4.07 115.26 123.83 1ijq n ASN 384 Ca -0.01 -2.58 0.00 0.00 -0.60 0.00 0.00 54.58 51.39 1ijq n ASN 384 Cb 0.47 -0.49 0.00 0.00 -0.53 0.00 0.00 39.78 39.23 1ijq n ASN 384 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1ijq n ARG 385 N -0.36 0.00 -0.39 1.20 0.63 -1.11 -3.81 116.66 112.81 1ijq n ARG 385 Ca 0.13 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 57.14 1ijq n ARG 385 Cb 0.81 0.00 0.25 0.00 0.45 0.00 0.00 32.46 33.97 1ijq n ARG 385 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1ijq n HIS 386 N 0.00 0.93 -3.62 -0.14 8.25 -1.26 -1.35 115.22 118.03 1ijq n HIS 386 Ca 0.00 -0.64 -0.00 0.00 -0.26 0.00 0.00 57.72 56.82 1ijq n HIS 386 Cb 0.00 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 30.93 1ijq n HIS 386 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1ijq s GLU 387 N -1.77 0.40 -0.20 -0.41 -1.05 -1.25 -0.91 118.70 113.52 1ijq s GLU 387 Ca 0.38 -0.21 -0.05 0.00 -0.15 0.00 0.00 54.97 54.94 1ijq s GLU 387 Cb 0.25 0.14 -0.03 0.00 -0.44 0.00 0.00 34.13 34.06 1ijq s GLU 387 CO 0.17 -0.18 0.01 0.08 0.95 0.00 0.00 175.26 176.29 1ijq s VAL 388 N -2.45 4.06 0.24 1.83 1.01 -0.36 -0.55 120.40 124.18 1ijq s VAL 388 Ca 0.13 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.87 1ijq s VAL 388 Cb 0.03 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1ijq s VAL 388 CO -0.04 0.43 0.38 -0.13 0.00 0.00 0.00 175.10 175.74 1ijq s ARG 389 N 0.89 3.45 0.04 2.72 0.52 0.39 -0.58 118.95 126.38 1ijq s ARG 389 Ca 0.01 -0.68 0.04 0.00 -0.52 0.00 0.00 55.73 54.58 1ijq s ARG 389 Cb -0.14 -2.87 -0.02 0.00 0.52 0.00 0.00 34.95 32.44 1ijq s ARG 389 CO 0.02 0.40 -0.12 0.21 0.02 0.00 0.00 175.30 175.83 1ijq s LYS 390 N -3.93 0.80 0.12 3.54 2.20 -0.10 -0.97 119.74 121.40 1ijq s LYS 390 Ca 0.35 -0.77 -0.24 0.00 -0.36 0.00 0.00 55.97 54.95 1ijq s LYS 390 Cb -0.09 -0.76 0.08 0.00 -1.51 0.00 0.00 37.83 35.54 1ijq s LYS 390 CO 0.30 0.18 0.66 0.00 -0.36 0.00 0.00 175.35 176.12 1ijq s MET 391 N -1.30 1.19 0.27 4.03 0.23 -0.70 -1.48 119.30 121.53 1ijq s MET 391 Ca -0.01 -0.42 -0.05 0.00 -1.03 0.00 0.00 55.69 54.18 1ijq s MET 391 Cb -0.08 0.55 0.06 0.00 -1.53 0.00 0.00 34.83 33.83 1ijq s MET 391 CO 0.01 -0.52 0.35 0.25 -2.03 0.00 0.00 175.02 173.09 1ijq n THR 392 N -0.33 0.00 1.09 3.16 -2.24 -0.18 -0.43 114.28 115.35 1ijq n THR 392 Ca -0.15 -0.25 0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1ijq n THR 392 Cb 0.64 -1.83 0.38 0.00 -2.10 0.00 0.00 70.33 67.43 1ijq n THR 392 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ijq n LEU 393 N 0.00 0.48 -1.37 3.22 4.77 -1.25 -4.00 117.00 118.86 1ijq n LEU 393 Ca 0.04 0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 55.99 1ijq n LEU 393 Cb 0.15 -0.27 0.17 0.00 -2.33 0.00 0.00 43.42 41.15 1ijq n LEU 393 CO 0.11 0.11 0.71 -0.90 -1.33 0.00 0.00 177.39 176.09 1ijq n ASP 394 N -1.30 3.05 -3.60 -1.43 5.68 -1.26 -4.97 116.55 112.71 1ijq n ASP 394 Ca 0.08 -3.79 -0.23 0.00 -0.50 0.00 0.00 54.79 50.35 1ijq n ASP 394 Cb 0.33 -0.64 0.04 0.00 -1.14 0.00 0.00 41.12 39.72 1ijq n ASP 394 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ijq n ARG 395 N -1.08 -3.32 -4.06 0.11 1.74 -1.26 -5.01 116.66 103.78 1ijq n ARG 395 Ca 0.37 0.63 -0.10 0.00 -0.77 0.00 0.00 57.85 57.98 1ijq n ARG 395 Cb 1.04 -5.02 -0.08 0.00 -1.02 0.00 0.00 32.46 27.37 1ijq n ARG 395 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ijq s SER 396 N -3.91 0.16 -1.35 0.55 1.04 -1.26 -4.92 113.70 104.02 1ijq s SER 396 Ca 0.23 -1.05 -0.03 0.00 0.48 0.00 0.00 55.95 55.57 1ijq s SER 396 Cb -0.06 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.45 1ijq s SER 396 CO 0.81 -0.83 0.81 -0.62 0.98 0.00 0.00 173.24 174.40 1ijq n GLU 397 N -0.17 -5.38 -2.31 4.02 1.02 -1.26 -1.01 120.64 115.56 1ijq n GLU 397 Ca -0.06 0.65 -0.42 0.00 -0.02 0.00 0.00 57.16 57.31 1ijq n GLU 397 Cb 0.63 -5.35 -0.03 0.00 -0.02 0.00 0.00 31.44 26.68 1ijq n GLU 397 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1ijq s TYR 398 N -3.55 2.93 0.16 -0.32 4.12 -1.26 -4.05 117.35 115.40 1ijq s TYR 398 Ca 0.17 0.94 -0.15 0.00 0.02 0.00 0.00 57.07 58.05 1ijq s TYR 398 Cb -0.08 -3.58 0.02 0.00 -1.52 0.00 0.00 41.96 36.79 1ijq s TYR 398 CO 0.80 -2.07 0.42 -0.08 0.02 0.00 0.00 175.55 174.64 1ijq s THR 399 N 2.46 0.05 -0.52 -0.71 -1.32 -0.55 -5.00 115.64 110.05 1ijq s THR 399 Ca 0.61 -0.88 -0.20 0.00 -1.21 0.00 0.00 61.69 60.01 1ijq s THR 399 Cb -0.29 -1.52 0.06 0.00 -1.51 0.00 0.00 72.50 69.25 1ijq s THR 399 CO 0.24 -0.24 0.68 -0.55 -2.21 0.00 0.00 174.62 172.54 1ijq s SER 400 N -2.88 6.23 -0.06 8.08 0.15 -1.26 -0.92 113.70 123.04 1ijq s SER 400 Ca 0.09 -0.91 -0.27 0.00 0.70 0.00 0.00 55.95 55.57 1ijq s SER 400 Cb 0.01 -2.31 -0.22 0.00 -1.71 0.00 0.00 66.02 61.79 1ijq s SER 400 CO -0.05 -0.97 1.11 0.25 1.20 0.00 0.00 173.24 174.79 1ijq h LEU 401 N 9.91 0.02 -7.46 3.45 5.85 -1.14 -3.41 115.31 122.54 1ijq h LEU 401 Ca -0.28 -0.65 -0.63 0.00 0.84 0.00 0.00 57.88 57.16 1ijq h LEU 401 Cb 1.09 -0.01 -0.40 0.00 0.37 0.00 0.00 40.66 41.71 1ijq h LEU 401 CO 1.00 0.67 -0.73 -0.63 -0.34 0.00 0.00 178.44 178.41 1ijq s ILE 402 N -3.61 1.79 0.76 4.05 -1.09 -0.76 -4.98 121.20 117.37 1ijq s ILE 402 Ca -0.17 -2.11 -0.06 0.00 -2.23 0.00 0.00 60.65 56.08 1ijq s ILE 402 Cb 0.00 -2.32 0.12 0.00 -1.58 0.00 0.00 42.46 38.68 1ijq s ILE 402 CO 0.68 -0.65 1.07 -2.16 -1.23 0.00 0.00 174.94 172.65 1ijq s PRO 403 N 1.03 1.64 -1.31 2.79 0.04 -1.26 -1.23 135.00 136.71 1ijq s PRO 403 Ca 0.11 -0.65 -0.07 0.00 0.04 0.00 0.00 61.00 60.43 1ijq s PRO 403 Cb -0.19 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.18 1ijq s PRO 403 CO -0.13 -1.57 0.95 0.09 0.04 0.00 0.00 177.00 176.38 1ijq n ASN 404 N -3.06 -5.99 -4.98 6.66 3.02 -1.21 -4.93 115.26 104.76 1ijq n ASN 404 Ca 0.12 -0.43 -0.20 0.00 -0.03 0.00 0.00 54.58 54.04 1ijq n ASN 404 Cb 0.60 -4.67 0.02 0.00 -0.61 0.00 0.00 39.78 35.12 1ijq n ASN 404 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ijq s LEU 405 N -6.65 3.58 -0.12 3.41 1.43 -0.08 -5.01 118.68 115.23 1ijq s LEU 405 Ca 0.47 -0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.45 1ijq s LEU 405 Cb -0.21 -2.85 -0.07 0.00 0.03 0.00 0.00 46.19 43.09 1ijq s LEU 405 CO 0.58 -0.83 -0.13 0.54 0.23 0.00 0.00 176.35 176.74 1ijq n ARG 406 N -2.03 0.28 -2.83 1.70 1.74 -1.26 -4.40 116.66 109.86 1ijq n ARG 406 Ca 0.05 0.09 -0.11 0.00 -0.77 0.00 0.00 57.85 57.12 1ijq n ARG 406 Cb 0.59 -1.09 0.04 0.00 -1.02 0.00 0.00 32.46 30.97 1ijq n ARG 406 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ijq n ASN 407 N -3.21 -2.19 -4.71 0.55 2.85 -1.09 -4.41 115.26 103.05 1ijq n ASN 407 Ca -0.23 -3.28 -0.41 0.00 -0.11 0.00 0.00 54.58 50.55 1ijq n ASN 407 Cb 0.70 1.38 -0.04 0.00 1.24 0.00 0.00 39.78 43.07 1ijq n ASN 407 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1ijq s VAL 408 N 0.21 4.92 0.00 3.44 0.11 -0.46 -0.69 120.40 127.93 1ijq s VAL 408 Ca 0.31 1.83 0.00 0.00 -2.93 0.00 0.00 61.98 61.19 1ijq s VAL 408 Cb 0.24 -4.22 0.00 0.00 -1.53 0.00 0.00 36.38 30.87 1ijq s VAL 408 CO -0.19 0.20 0.09 1.33 -3.33 0.00 0.00 175.10 173.21 1ijq n VAL 409 N 3.80 0.00 -3.68 2.04 0.24 -0.58 -4.12 118.33 116.03 1ijq n VAL 409 Ca 0.03 -0.32 -0.12 0.00 -2.04 0.00 0.00 64.34 61.89 1ijq n VAL 409 Cb 0.51 1.11 -0.06 0.00 -1.47 0.00 0.00 33.84 33.92 1ijq n VAL 409 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ijq s ALA 410 N -0.45 -0.93 0.14 2.33 0.00 -1.25 -4.28 121.76 117.33 1ijq s ALA 410 Ca 0.00 0.21 -0.17 0.00 0.00 0.00 0.00 51.96 51.99 1ijq s ALA 410 Cb 0.00 0.38 0.04 0.00 0.00 0.00 0.00 23.12 23.54 1ijq s ALA 410 CO 0.00 -0.47 0.45 -0.48 0.00 0.00 0.00 175.76 175.26 1ijq s LEU 411 N -2.10 0.20 0.27 0.00 0.05 -1.26 -1.43 118.68 114.40 1ijq s LEU 411 Ca -0.04 -0.31 -0.18 0.00 0.05 0.00 0.00 54.13 53.64 1ijq s LEU 411 Cb -0.00 2.00 0.01 0.00 -2.05 0.00 0.00 46.19 46.15 1ijq s LEU 411 CO -0.04 -0.91 0.64 -0.62 -0.55 0.00 0.00 176.35 174.88 1ijq s ASP 412 N -2.81 -0.21 0.12 1.48 2.15 -0.40 -4.71 116.67 112.29 1ijq s ASP 412 Ca 0.04 -0.71 -0.01 0.00 0.43 0.00 0.00 52.55 52.30 1ijq s ASP 412 Cb 0.01 0.68 -0.04 0.00 -0.30 0.00 0.00 42.92 43.27 1ijq s ASP 412 CO -0.10 -1.28 0.05 0.42 -0.17 0.00 0.00 175.17 174.08 1ijq s THR 413 N -3.95 0.12 -0.39 1.71 -4.23 -1.26 -0.67 115.64 106.97 1ijq s THR 413 Ca 0.15 -1.88 -0.06 0.00 -1.18 0.00 0.00 61.69 58.72 1ijq s THR 413 Cb -0.04 -1.95 0.08 0.00 1.34 0.00 0.00 72.50 71.93 1ijq s THR 413 CO 0.08 -0.55 0.19 -1.61 -0.54 0.00 0.00 174.62 172.18 1ijq s GLU 414 N -4.02 2.37 0.06 3.99 2.02 0.08 -4.77 118.70 118.43 1ijq s GLU 414 Ca 0.21 -1.53 -0.28 0.00 0.02 0.00 0.00 54.97 53.39 1ijq s GLU 414 Cb 0.07 -3.59 -0.17 0.00 0.10 0.00 0.00 34.13 30.54 1ijq s GLU 414 CO -0.00 -0.92 1.57 0.28 0.02 0.00 0.00 175.26 176.20 1ijq h VAL 415 N 6.25 0.65 -0.29 2.63 2.07 -1.95 -0.68 116.25 124.93 1ijq h VAL 415 Ca -0.19 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1ijq h VAL 415 Cb 1.07 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1ijq h VAL 415 CO 0.69 0.03 -0.09 0.00 0.02 0.00 0.00 177.57 178.22 1ijq h ALA 416 N 0.03 1.30 -0.00 1.67 0.00 -1.95 -2.30 119.26 118.00 1ijq h ALA 416 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ijq h ALA 416 Cb 0.43 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ijq h ALA 416 CO 0.08 0.47 -0.17 0.43 0.00 0.00 0.00 179.25 180.06 1ijq n SER 417 N -4.23 0.49 -3.61 0.00 7.64 -1.22 -4.96 113.62 107.73 1ijq n SER 417 Ca 0.01 -0.45 -0.22 0.00 1.01 0.00 0.00 58.87 59.22 1ijq n SER 417 Cb 0.30 -0.05 0.06 0.00 -1.01 0.00 0.00 64.21 63.51 1ijq n SER 417 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ijq n ASN 418 N -1.05 -3.16 -4.31 6.43 5.15 -0.33 -4.80 115.26 113.19 1ijq n ASN 418 Ca 0.12 -0.68 -0.31 0.00 -0.60 0.00 0.00 54.58 53.11 1ijq n ASN 418 Cb 0.30 -4.63 -0.16 0.00 -0.53 0.00 0.00 39.78 34.77 1ijq n ASN 418 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1ijq s ARG 419 N -5.93 2.12 -0.00 1.20 0.52 -0.79 -0.63 118.95 115.44 1ijq s ARG 419 Ca 0.23 -0.93 0.08 0.00 -0.52 0.00 0.00 55.73 54.59 1ijq s ARG 419 Cb -0.11 -2.05 -0.02 0.00 0.52 0.00 0.00 34.95 33.29 1ijq s ARG 419 CO 0.77 0.56 -0.24 -1.50 0.02 0.00 0.00 175.30 174.91 1ijq s ILE 420 N -0.61 2.27 0.03 1.52 2.07 -0.67 -0.74 121.20 125.08 1ijq s ILE 420 Ca 0.10 -1.14 0.08 0.00 -1.41 0.00 0.00 60.65 58.28 1ijq s ILE 420 Cb -0.10 -1.84 -0.02 0.00 0.13 0.00 0.00 42.46 40.62 1ijq s ILE 420 CO -0.01 0.51 -0.22 -0.31 -1.91 0.00 0.00 174.94 172.99 1ijq s TYR 421 N -0.70 1.98 0.11 3.50 2.02 0.15 -1.38 117.35 123.03 1ijq s TYR 421 Ca 0.11 -0.38 -0.12 0.00 -0.37 0.00 0.00 57.07 56.31 1ijq s TYR 421 Cb -0.10 -1.20 0.01 0.00 -0.40 0.00 0.00 41.96 40.27 1ijq s TYR 421 CO 0.01 0.07 0.29 1.67 -1.57 0.00 0.00 175.55 176.02 1ijq s TRP 422 N -0.74 0.02 -0.23 2.71 -2.14 -0.10 -1.27 118.94 117.20 1ijq s TRP 422 Ca 0.09 -0.40 -0.07 0.00 2.66 0.00 0.00 56.10 58.38 1ijq s TRP 422 Cb -0.09 0.08 -0.03 0.00 -3.10 0.00 0.00 33.47 30.33 1ijq s TRP 422 CO 0.01 -0.63 0.05 -1.12 -2.66 0.00 0.00 176.95 172.60 1ijq s SER 423 N -2.85 5.12 -0.21 -2.66 0.01 -0.52 -0.49 113.70 112.10 1ijq s SER 423 Ca 0.05 -0.17 -0.01 0.00 1.31 0.00 0.00 55.95 57.13 1ijq s SER 423 Cb 0.03 -1.90 0.01 0.00 0.21 0.00 0.00 66.02 64.37 1ijq s SER 423 CO -0.10 0.01 -0.11 -0.62 0.41 0.00 0.00 173.24 172.82 1ijq s ASP 424 N 1.33 3.83 0.00 2.44 -1.08 0.01 -1.53 116.67 121.68 1ijq s ASP 424 Ca 0.05 -0.65 0.30 0.00 -0.52 0.00 0.00 52.55 51.73 1ijq s ASP 424 Cb -0.15 -1.61 1.43 0.00 -1.46 0.00 0.00 42.92 41.14 1ijq s ASP 424 CO 0.03 -0.04 2.01 0.18 0.52 0.00 0.00 175.17 177.87 1ijq n LEU 425 N 4.68 0.03 -0.02 -1.34 4.77 0.13 -1.76 117.00 123.49 1ijq n LEU 425 Ca -0.19 0.32 -0.11 0.00 -0.03 0.00 0.00 56.01 56.01 1ijq n LEU 425 Cb 0.49 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1ijq n LEU 425 CO 0.27 0.01 0.93 0.77 -1.33 0.00 0.00 177.39 178.04 1ijq h SER 426 N 0.02 0.17 -0.11 -1.43 4.64 -1.93 -3.21 113.55 111.72 1ijq h SER 426 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1ijq h SER 426 Cb 0.34 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1ijq h SER 426 CO 0.00 0.13 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 1ijq n GLN 427 N -4.98 1.81 -3.08 4.77 6.02 -1.25 -5.03 117.38 115.64 1ijq n GLN 427 Ca -0.04 -1.42 -0.06 0.00 -0.01 0.00 0.00 57.00 55.46 1ijq n GLN 427 Cb 0.03 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.18 1ijq n GLN 427 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1ijq n ARG 428 N 0.08 -1.68 -3.89 -1.09 0.63 -0.94 -5.05 116.66 104.73 1ijq n ARG 428 Ca 0.05 1.61 -0.09 0.00 -0.92 0.00 0.00 57.85 58.50 1ijq n ARG 428 Cb 0.26 -5.27 -0.08 0.00 0.45 0.00 0.00 32.46 27.82 1ijq n ARG 428 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1ijq s MET 429 N -3.04 0.78 -0.18 -0.14 -1.94 -0.72 -4.64 119.30 109.42 1ijq s MET 429 Ca 0.09 -0.93 -0.06 0.00 -1.71 0.00 0.00 55.69 53.08 1ijq s MET 429 Cb -0.02 0.31 -0.03 0.00 2.01 0.00 0.00 34.83 37.10 1ijq s MET 429 CO 0.77 -0.23 0.03 0.42 -0.01 0.00 0.00 175.02 176.00 1ijq s ILE 430 N -3.61 4.39 0.33 2.53 1.01 -0.33 -0.81 121.20 124.71 1ijq s ILE 430 Ca 0.03 -0.17 0.05 0.00 0.00 0.00 0.00 60.65 60.56 1ijq s ILE 430 Cb 0.04 -2.97 -0.06 0.00 0.01 0.00 0.00 42.46 39.47 1ijq s ILE 430 CO -0.10 0.45 0.02 0.00 0.00 0.00 0.00 174.94 175.31 1ijq s SER 432 N -3.51 -0.17 -0.05 0.00 1.04 0.07 -0.92 113.70 110.16 1ijq s SER 432 Ca 0.34 -0.47 -0.15 0.00 0.48 0.00 0.00 55.95 56.15 1ijq s SER 432 Cb 0.07 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.71 1ijq s SER 432 CO 0.15 -0.90 0.34 0.28 0.98 0.00 0.00 173.24 174.09 1ijq s THR 433 N -3.85 0.04 -0.34 2.02 -1.32 -0.48 -1.00 115.64 110.70 1ijq s THR 433 Ca 0.07 -0.32 -0.19 0.00 -1.21 0.00 0.00 61.69 60.04 1ijq s THR 433 Cb 0.02 -0.61 -0.00 0.00 -1.51 0.00 0.00 72.50 70.39 1ijq s THR 433 CO -0.08 -0.18 0.54 -1.58 -2.21 0.00 0.00 174.62 171.12 1ijq s GLN 434 N -0.91 3.66 -1.23 7.08 2.00 -1.26 -1.66 119.66 127.34 1ijq s GLN 434 Ca -0.10 -0.08 -0.14 0.00 -2.00 0.00 0.00 55.36 53.04 1ijq s GLN 434 Cb -0.04 -3.80 -0.05 0.00 0.80 0.00 0.00 33.01 29.92 1ijq s GLN 434 CO 0.04 -0.64 2.29 1.28 -0.50 0.00 0.00 175.29 177.75 1ijq n LEU 435 N 5.79 6.24 -4.14 3.68 4.77 0.20 -5.03 117.00 128.52 1ijq n LEU 435 Ca -0.04 -3.66 -0.33 0.00 -0.03 0.00 0.00 56.01 51.95 1ijq n LEU 435 Cb 0.49 -1.40 -0.15 0.00 -2.33 0.00 0.00 43.42 40.03 1ijq n LEU 435 CO 0.45 0.86 -0.46 -0.31 -1.33 0.00 0.00 177.39 176.61 1ijq s TYR 444 N 3.47 3.04 -0.08 -1.77 2.02 -1.26 -4.88 117.35 117.89 1ijq s TYR 444 Ca 0.53 -1.80 -0.09 0.00 -0.37 0.00 0.00 57.07 55.34 1ijq s TYR 444 Cb 0.14 -1.98 -0.05 0.00 -0.40 0.00 0.00 41.96 39.68 1ijq s TYR 444 CO -0.02 -0.79 0.22 -0.51 -1.57 0.00 0.00 175.55 172.88 1ijq s ASP 445 N 1.25 6.52 -0.18 2.29 -0.00 -0.17 -4.94 116.67 121.44 1ijq s ASP 445 Ca -0.01 0.62 -0.21 0.00 -0.00 0.00 0.00 52.55 52.95 1ijq s ASP 445 Cb -0.16 -2.13 -0.03 0.00 -0.00 0.00 0.00 42.92 40.60 1ijq s ASP 445 CO -0.07 0.38 0.64 -0.89 -0.00 0.00 0.00 175.17 175.23 1ijq s THR 446 N -1.02 5.03 -0.17 -1.27 2.01 -1.26 -0.75 115.64 118.20 1ijq s THR 446 Ca 0.18 1.22 -0.14 0.00 0.31 0.00 0.00 61.69 63.25 1ijq s THR 446 Cb -0.13 -3.96 -0.06 0.00 0.01 0.00 0.00 72.50 68.36 1ijq s THR 446 CO 0.07 0.13 -0.22 0.52 -0.69 0.00 0.00 174.62 174.43 1ijq n VAL 447 N 4.54 1.47 -4.84 3.82 0.31 0.55 -4.88 118.33 119.29 1ijq n VAL 447 Ca -0.01 0.11 -0.27 0.00 -0.01 0.00 0.00 64.34 64.16 1ijq n VAL 447 Cb 0.50 -2.30 -0.16 0.00 -0.91 0.00 0.00 33.84 30.97 1ijq n VAL 447 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1ijq s ILE 448 N -2.54 1.46 0.00 2.52 -1.09 -0.96 -4.12 121.20 116.47 1ijq s ILE 448 Ca -0.24 -0.72 0.00 0.00 -2.23 0.00 0.00 60.65 57.47 1ijq s ILE 448 Cb 0.04 -1.27 0.00 0.00 -1.58 0.00 0.00 42.46 39.66 1ijq s ILE 448 CO 0.36 0.42 0.03 -1.54 -1.23 0.00 0.00 174.94 172.98 1ijq n SER 449 N 3.29 0.06 -4.39 3.58 3.41 -1.26 -1.19 113.62 117.13 1ijq n SER 449 Ca -0.19 -0.78 -0.21 0.00 -0.26 0.00 0.00 58.87 57.42 1ijq n SER 449 Cb 0.53 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.39 1ijq n SER 449 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ijq s ARG 450 N -0.02 1.45 -1.33 4.33 1.70 -1.26 -4.83 118.95 118.99 1ijq s ARG 450 Ca 0.00 -1.62 -0.03 0.00 -0.47 0.00 0.00 55.73 53.61 1ijq s ARG 450 Cb 0.00 -1.41 -0.00 0.00 -0.57 0.00 0.00 34.95 32.97 1ijq s ARG 450 CO 0.00 0.26 0.57 -0.25 -1.08 0.00 0.00 175.30 174.80 1ijq n ASP 451 N -0.32 -1.35 -3.77 -2.89 8.00 -1.26 -4.98 116.55 109.97 1ijq n ASP 451 Ca -0.08 -0.94 -0.15 0.00 0.71 0.00 0.00 54.79 54.34 1ijq n ASP 451 Cb 0.59 -3.48 -0.16 0.00 -0.02 0.00 0.00 41.12 38.06 1ijq n ASP 451 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1ijq s ILE 452 N -3.78 -0.06 0.00 0.53 2.07 -1.26 -5.08 121.20 113.62 1ijq s ILE 452 Ca 0.07 0.20 -0.02 0.00 -1.41 0.00 0.00 60.65 59.49 1ijq s ILE 452 Cb -0.02 -0.10 -0.01 0.00 0.13 0.00 0.00 42.46 42.45 1ijq s ILE 452 CO 0.86 0.08 -0.05 0.00 -1.91 0.00 0.00 174.94 173.92 1ijq n GLN 453 N 4.14 0.07 -3.23 3.50 1.13 -1.26 -5.00 117.38 116.73 1ijq n GLN 453 Ca -0.27 0.03 -0.17 0.00 -1.94 0.00 0.00 57.00 54.65 1ijq n GLN 453 Cb 0.51 -0.43 -0.06 0.00 0.11 0.00 0.00 30.24 30.37 1ijq n GLN 453 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ijq s ALA 454 N -2.34 -0.32 -0.93 -1.58 0.00 -1.26 -4.96 121.76 110.38 1ijq s ALA 454 Ca -0.04 -1.27 -0.24 0.00 0.00 0.00 0.00 51.96 50.41 1ijq s ALA 454 Cb 0.01 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 21.04 1ijq s ALA 454 CO 0.06 -2.12 1.67 -1.25 0.00 0.00 0.00 175.76 174.12 1ijq s PRO 455 N 0.91 3.07 0.00 0.00 0.04 -1.26 -2.59 135.00 135.17 1ijq s PRO 455 Ca 0.24 -0.61 0.27 0.00 0.04 0.00 0.00 61.00 60.95 1ijq s PRO 455 Cb -0.06 -5.09 0.93 0.00 0.04 0.00 0.00 34.50 30.31 1ijq s PRO 455 CO -0.08 -2.72 1.67 -0.25 0.04 0.00 0.00 177.00 175.66 1ijq n ASP 456 N 11.26 1.35 -3.76 6.66 10.43 -1.21 -4.75 116.55 136.53 1ijq n ASP 456 Ca 0.33 -1.28 -0.13 0.00 2.57 0.00 0.00 54.79 56.28 1ijq n ASP 456 Cb 0.49 0.05 -0.11 0.00 1.84 0.00 0.00 41.12 43.39 1ijq n ASP 456 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1ijq s GLY 457 N -2.19 -0.22 0.07 0.44 0.00 -1.19 -4.71 107.32 99.52 1ijq s GLY 457 Ca 0.33 0.88 0.07 0.00 0.00 0.00 0.00 44.72 46.00 1ijq s GLY 457 CO 0.40 0.81 -0.18 1.08 0.00 0.00 0.00 173.10 175.21 1ijq s LEU 458 N 0.30 2.24 -0.17 0.66 1.43 -1.26 -1.74 118.68 120.13 1ijq s LEU 458 Ca -0.01 -0.59 -0.05 0.00 -1.03 0.00 0.00 54.13 52.45 1ijq s LEU 458 Cb -0.03 -0.75 0.08 0.00 0.03 0.00 0.00 46.19 45.52 1ijq s LEU 458 CO -0.01 0.04 0.34 0.00 0.23 0.00 0.00 176.35 176.96 1ijq s ALA 459 N -1.05 -0.87 -0.18 4.21 0.00 -0.25 -4.65 121.76 118.98 1ijq s ALA 459 Ca 0.04 1.16 -0.10 0.00 0.00 0.00 0.00 51.96 53.05 1ijq s ALA 459 Cb -0.09 -1.24 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 1ijq s ALA 459 CO 0.03 -0.78 0.17 0.08 0.00 0.00 0.00 175.76 175.25 1ijq s VAL 460 N 2.52 5.40 -0.57 0.00 1.01 -1.26 -0.54 120.40 126.96 1ijq s VAL 460 Ca 0.01 0.27 -0.24 0.00 0.00 0.00 0.00 61.98 62.03 1ijq s VAL 460 Cb -0.12 -3.49 0.05 0.00 0.00 0.00 0.00 36.38 32.81 1ijq s VAL 460 CO -0.11 0.46 0.94 -0.62 0.00 0.00 0.00 175.10 175.77 1ijq s ASP 461 N 0.15 6.30 0.11 3.32 -1.08 0.12 -4.89 116.67 120.71 1ijq s ASP 461 Ca 0.11 -0.48 0.24 0.00 -0.52 0.00 0.00 52.55 51.89 1ijq s ASP 461 Cb -0.12 -2.43 0.93 0.00 -1.46 0.00 0.00 42.92 39.85 1ijq s ASP 461 CO 0.00 -1.26 1.74 -2.67 0.52 0.00 0.00 175.17 173.50 1ijq n TRP 462 N 7.50 0.43 -0.04 -5.34 2.14 -1.26 -0.62 117.44 120.24 1ijq n TRP 462 Ca 0.00 0.14 -0.21 0.00 2.07 0.00 0.00 57.50 59.51 1ijq n TRP 462 Cb 0.47 -0.73 -0.13 0.00 -0.81 0.00 0.00 31.31 30.11 1ijq n TRP 462 CO 0.00 0.00 0.00 0.82 2.07 0.00 0.00 177.69 180.58 1ijq h ILE 463 N 0.00 1.04 -0.01 -1.67 2.04 -1.93 -3.39 117.51 113.59 1ijq h ILE 463 Ca 0.00 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 63.54 1ijq h ILE 463 Cb 0.48 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 1ijq h ILE 463 CO 0.00 0.59 -0.52 1.41 0.00 0.00 0.00 178.15 179.63 1ijq n HIS 464 N -4.12 0.00 -3.39 1.37 8.25 -1.21 -4.64 115.22 111.48 1ijq n HIS 464 Ca -0.26 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.03 1ijq n HIS 464 Cb 0.80 -0.06 0.07 0.00 1.12 0.00 0.00 29.99 31.92 1ijq n HIS 464 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ijq n SER 465 N -0.66 -3.99 -4.26 0.41 7.64 0.21 -4.96 113.62 108.01 1ijq n SER 465 Ca 0.09 -0.69 -0.24 0.00 1.01 0.00 0.00 58.87 59.04 1ijq n SER 465 Cb 0.39 -5.00 -0.13 0.00 -1.01 0.00 0.00 64.21 58.47 1ijq n SER 465 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1ijq s ASN 466 N -3.93 2.39 -0.09 6.43 0.01 -1.11 -2.03 114.94 116.62 1ijq s ASN 466 Ca 0.21 -0.63 0.02 0.00 -0.71 0.00 0.00 52.86 51.76 1ijq s ASN 466 Cb -0.03 -0.14 -0.02 0.00 0.41 0.00 0.00 41.25 41.47 1ijq s ASN 466 CO 0.75 0.07 -0.16 -0.51 -1.51 0.00 0.00 177.10 175.74 1ijq s ILE 467 N -1.06 2.84 0.00 0.60 2.07 0.93 0.14 121.20 126.72 1ijq s ILE 467 Ca 0.06 -0.77 0.03 0.00 -1.41 0.00 0.00 60.65 58.55 1ijq s ILE 467 Cb -0.10 -2.13 -0.03 0.00 0.13 0.00 0.00 42.46 40.33 1ijq s ILE 467 CO 0.03 0.56 -0.05 -0.31 -1.91 0.00 0.00 174.94 173.26 1ijq s TYR 468 N -0.13 2.94 0.01 3.50 2.02 0.30 -1.23 117.35 124.77 1ijq s TYR 468 Ca -0.02 -0.01 -0.11 0.00 -0.37 0.00 0.00 57.07 56.57 1ijq s TYR 468 Cb -0.14 -1.62 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1ijq s TYR 468 CO 0.04 0.40 0.22 1.67 -1.57 0.00 0.00 175.55 176.31 1ijq s TRP 469 N -1.03 -0.04 0.21 2.71 -2.14 -0.45 -1.09 118.94 117.11 1ijq s TRP 469 Ca 0.18 -0.03 0.02 0.00 2.66 0.00 0.00 56.10 58.93 1ijq s TRP 469 Cb -0.11 0.02 -0.03 0.00 -3.10 0.00 0.00 33.47 30.24 1ijq s TRP 469 CO 0.08 -0.38 0.36 0.95 -2.66 0.00 0.00 176.95 175.30 1ijq s THR 470 N -1.77 5.26 -0.28 0.66 -4.23 -0.71 -0.94 115.64 113.62 1ijq s THR 470 Ca -0.11 -0.69 -0.04 0.00 -1.18 0.00 0.00 61.69 59.68 1ijq s THR 470 Cb -0.05 -3.79 0.10 0.00 1.34 0.00 0.00 72.50 70.10 1ijq s THR 470 CO 0.01 -0.23 0.12 -0.62 -0.54 0.00 0.00 174.62 173.36 1ijq s ASP 471 N -3.53 3.49 0.52 3.99 -1.08 -0.41 -3.31 116.67 116.33 1ijq s ASP 471 Ca 0.36 -1.26 0.29 0.00 -0.52 0.00 0.00 52.55 51.41 1ijq s ASP 471 Cb -0.10 -0.39 1.37 0.00 -1.46 0.00 0.00 42.92 42.34 1ijq s ASP 471 CO 0.29 -0.43 2.01 0.77 0.52 0.00 0.00 175.17 178.34 1ijq h SER 472 N 8.38 0.00 0.13 -0.34 4.64 -1.58 0.11 113.55 124.89 1ijq h SER 472 Ca -0.19 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.94 1ijq h SER 472 Cb 1.02 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.13 1ijq h SER 472 CO 0.43 0.12 -0.89 0.58 -0.87 0.00 0.00 176.83 176.20 1ijq h VAL 473 N 0.00 1.43 0.00 0.95 2.07 -1.86 -3.34 116.25 115.50 1ijq h VAL 473 Ca -0.00 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.02 1ijq h VAL 473 Cb 0.46 3.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 1ijq h VAL 473 CO 0.02 0.70 0.00 -0.07 0.02 0.00 0.00 177.57 178.24 1ijq h LEU 474 N -0.40 0.00 0.10 2.57 3.38 -1.87 -3.46 115.31 115.63 1ijq h LEU 474 Ca -0.17 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.68 1ijq h LEU 474 Cb 1.63 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.39 1ijq h LEU 474 CO 0.12 0.00 -0.17 0.61 0.09 0.00 0.00 178.44 179.09 1ijq n GLY 475 N 0.98 0.29 3.31 0.83 0.00 0.36 -4.60 105.19 106.35 1ijq n GLY 475 Ca 0.04 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.35 1ijq n GLY 475 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ijq s THR 476 N -2.63 1.55 -0.09 2.61 -4.23 -0.98 -0.53 115.64 111.33 1ijq s THR 476 Ca 0.07 -2.15 0.03 0.00 -1.18 0.00 0.00 61.69 58.46 1ijq s THR 476 Cb -0.03 -1.97 0.01 0.00 1.34 0.00 0.00 72.50 71.85 1ijq s THR 476 CO 0.09 -0.63 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.66 1ijq s VAL 477 N -3.05 1.63 0.19 2.29 1.01 -0.51 -1.29 120.40 120.66 1ijq s VAL 477 Ca 0.20 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.47 1ijq s VAL 477 Cb 0.00 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 1ijq s VAL 477 CO 0.05 0.47 -0.05 -0.44 0.00 0.00 0.00 175.10 175.12 1ijq s SER 478 N 0.64 1.79 0.04 3.32 0.01 -0.12 -0.75 113.70 118.63 1ijq s SER 478 Ca -0.14 -1.11 0.02 0.00 1.31 0.00 0.00 55.95 56.03 1ijq s SER 478 Cb -0.16 0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 1ijq s SER 478 CO 0.04 -0.42 -0.08 0.54 0.41 0.00 0.00 173.24 173.72 1ijq s VAL 479 N -3.38 0.57 0.08 3.43 0.11 -0.36 -1.34 120.40 119.52 1ijq s VAL 479 Ca 0.22 -1.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.19 1ijq s VAL 479 Cb 0.04 -0.62 -0.00 0.00 -1.53 0.00 0.00 36.38 34.27 1ijq s VAL 479 CO 0.04 -0.31 0.17 0.00 -3.33 0.00 0.00 175.10 171.67 1ijq s ALA 480 N -1.23 -0.17 0.90 1.54 0.00 -0.36 -0.92 121.76 121.52 1ijq s ALA 480 Ca -0.08 -0.65 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 1ijq s ALA 480 Cb -0.09 0.45 0.13 0.00 0.00 0.00 0.00 23.12 23.61 1ijq s ALA 480 CO 0.00 -0.48 1.10 0.16 0.00 0.00 0.00 175.76 176.54 1ijq s ASP 481 N -2.80 3.30 0.00 0.00 1.47 -0.81 -0.05 116.67 117.79 1ijq s ASP 481 Ca 0.04 1.79 0.11 0.00 1.18 0.00 0.00 52.55 55.67 1ijq s ASP 481 Cb 0.05 -2.40 0.50 0.00 -0.34 0.00 0.00 42.92 40.73 1ijq s ASP 481 CO -0.10 -2.79 1.33 0.35 0.68 0.00 0.00 175.17 174.64 1ijq n THR 482 N -4.01 1.10 1.04 2.11 -2.24 -0.86 -0.84 114.28 110.58 1ijq n THR 482 Ca 0.08 0.28 0.11 0.00 -2.27 0.00 0.00 64.05 62.25 1ijq n THR 482 Cb 0.54 -1.09 0.06 0.00 -2.10 0.00 0.00 70.33 67.74 1ijq n THR 482 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ijq n LYS 483 N -1.45 1.34 -1.19 -0.78 4.76 -1.26 -4.89 118.16 114.70 1ijq n LYS 483 Ca 0.03 -1.07 -0.06 0.00 -2.87 0.00 0.00 58.31 54.33 1ijq n LYS 483 Cb 0.12 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.80 1ijq n LYS 483 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ijq n GLY 484 N 1.40 0.87 0.08 0.72 0.00 -0.02 -4.79 105.19 103.44 1ijq n GLY 484 Ca 0.10 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 1ijq n GLY 484 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ijq h VAL 485 N 0.00 1.52 -3.69 1.61 2.07 -1.86 -3.45 116.25 112.45 1ijq h VAL 485 Ca -0.13 -1.67 -0.68 0.00 0.82 0.00 0.00 66.70 65.04 1ijq h VAL 485 Cb 0.46 2.58 -0.18 0.00 -1.52 0.00 0.00 31.29 32.63 1ijq h VAL 485 CO 0.19 0.45 -0.73 -0.54 0.02 0.00 0.00 177.57 176.97 1ijq s LYS 486 N -3.48 2.44 0.08 1.57 1.02 -1.26 -5.02 119.74 115.09 1ijq s LYS 486 Ca -0.16 -0.78 -0.19 0.00 0.02 0.00 0.00 55.97 54.86 1ijq s LYS 486 Cb 0.01 -2.43 0.04 0.00 -0.52 0.00 0.00 37.83 34.93 1ijq s LYS 486 CO 0.71 0.59 0.44 0.50 -0.92 0.00 0.00 175.35 176.67 1ijq s ARG 487 N -1.44 1.01 -0.14 1.68 3.52 -1.26 -1.92 118.95 120.40 1ijq s ARG 487 Ca 0.17 -0.45 -0.12 0.00 -0.13 0.00 0.00 55.73 55.19 1ijq s ARG 487 Cb -0.11 0.45 0.04 0.00 -1.56 0.00 0.00 34.95 33.77 1ijq s ARG 487 CO 0.07 -0.37 0.36 0.21 -0.81 0.00 0.00 175.30 174.76 1ijq s LYS 488 N -2.96 0.42 -0.41 5.12 2.20 -0.10 -4.54 119.74 119.48 1ijq s LYS 488 Ca -0.02 0.52 -0.27 0.00 -0.36 0.00 0.00 55.97 55.83 1ijq s LYS 488 Cb 0.00 0.19 0.02 0.00 -1.51 0.00 0.00 37.83 36.54 1ijq s LYS 488 CO -0.06 -0.06 1.01 0.99 -0.36 0.00 0.00 175.35 176.88 1ijq s THR 489 N 0.25 4.44 -0.14 3.43 2.01 -1.26 -1.22 115.64 123.15 1ijq s THR 489 Ca -0.00 1.21 -0.20 0.00 0.31 0.00 0.00 61.69 63.01 1ijq s THR 489 Cb -0.03 -4.45 -0.17 0.00 0.01 0.00 0.00 72.50 67.86 1ijq s THR 489 CO -0.00 -0.73 0.45 -0.07 -0.69 0.00 0.00 174.62 173.58 1ijq h LEU 490 N 10.51 0.00 -8.40 4.42 3.38 -1.28 -3.48 115.31 120.47 1ijq h LEU 490 Ca -0.23 -0.63 -0.50 0.00 0.09 0.00 0.00 57.88 56.62 1ijq h LEU 490 Cb 1.07 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.57 1ijq h LEU 490 CO 1.04 0.93 -0.81 -0.36 0.09 0.00 0.00 178.44 179.33 1ijq s PHE 491 N -2.07 1.44 -0.07 1.13 0.08 -0.80 -4.88 117.98 112.81 1ijq s PHE 491 Ca -0.15 -0.35 -0.03 0.00 0.12 0.00 0.00 56.93 56.51 1ijq s PHE 491 Cb -0.01 -0.86 0.04 0.00 -0.57 0.00 0.00 43.02 41.62 1ijq s PHE 491 CO 0.48 0.05 0.16 0.50 -0.10 0.00 0.00 175.22 176.31 1ijq s ARG 492 N -1.09 0.12 -0.22 0.44 3.52 -1.26 -1.43 118.95 119.02 1ijq s ARG 492 Ca 0.04 0.38 -0.03 0.00 -0.13 0.00 0.00 55.73 55.99 1ijq s ARG 492 Cb -0.08 -0.15 0.11 0.00 -1.56 0.00 0.00 34.95 33.27 1ijq s ARG 492 CO 0.01 -0.15 0.26 -2.00 -0.81 0.00 0.00 175.30 172.61 1ijq s GLU 493 N 1.09 0.24 0.22 5.12 2.12 0.31 -5.01 118.70 122.78 1ijq s GLU 493 Ca -0.08 0.23 -0.31 0.00 0.36 0.00 0.00 54.97 55.16 1ijq s GLU 493 Cb -0.10 -1.01 -0.11 0.00 0.26 0.00 0.00 34.13 33.16 1ijq s GLU 493 CO -0.06 -0.69 1.64 -0.80 -0.54 0.00 0.00 175.26 174.81 1ijq s ASN 494 N 2.37 6.45 0.00 -1.70 0.01 -1.26 -1.69 114.94 119.11 1ijq s ASN 494 Ca 0.08 2.81 0.00 0.00 -0.71 0.00 0.00 52.86 55.04 1ijq s ASN 494 Cb -0.15 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.90 1ijq s ASN 494 CO -0.15 -0.91 0.00 0.61 -1.51 0.00 0.00 177.10 175.14 1ijq n GLY 495 N 3.48 1.67 3.80 0.66 0.00 -1.26 -5.04 105.19 108.50 1ijq n GLY 495 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1ijq n GLY 495 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ijq s SER 496 N -2.43 4.64 -0.49 1.61 1.04 -0.68 -4.71 113.70 112.67 1ijq s SER 496 Ca 0.00 1.44 0.08 0.00 0.48 0.00 0.00 55.95 57.95 1ijq s SER 496 Cb 0.00 -2.21 0.28 0.00 0.10 0.00 0.00 66.02 64.19 1ijq s SER 496 CO 0.00 -1.89 0.68 0.29 0.98 0.00 0.00 173.24 173.30 1ijq n LYS 497 N -3.40 1.67 -1.86 4.02 5.02 -1.26 -4.37 118.16 117.99 1ijq n LYS 497 Ca 0.07 -3.93 -0.41 0.00 -2.02 0.00 0.00 58.31 52.02 1ijq n LYS 497 Cb 0.55 -1.76 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 1ijq n LYS 497 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ijq s PRO 498 N -2.10 4.16 0.00 1.97 0.04 -1.26 -2.14 135.00 135.68 1ijq s PRO 498 Ca 0.39 2.49 0.00 0.00 0.04 0.00 0.00 61.00 63.93 1ijq s PRO 498 Cb 0.21 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.72 1ijq s PRO 498 CO -0.08 -0.52 0.00 -2.13 0.04 0.00 0.00 177.00 174.31 1ijq n ARG 499 N 1.52 0.00 -3.06 4.56 0.00 0.20 -3.71 116.66 116.17 1ijq n ARG 499 Ca 0.05 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.56 1ijq n ARG 499 Cb 0.39 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.79 1ijq n ARG 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ijq s ALA 500 N -2.00 3.28 -0.05 5.13 0.00 -1.25 -3.15 121.76 123.72 1ijq s ALA 500 Ca 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 51.96 52.04 1ijq s ALA 500 Cb 0.00 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 20.27 1ijq s ALA 500 CO 0.00 0.29 0.17 -1.50 0.00 0.00 0.00 175.76 174.72 1ijq s ILE 501 N -1.92 0.02 0.06 0.00 2.07 -1.26 -0.91 121.20 119.25 1ijq s ILE 501 Ca 0.53 -0.14 0.02 0.00 -1.41 0.00 0.00 60.65 59.66 1ijq s ILE 501 Cb -0.12 -0.30 -0.03 0.00 0.13 0.00 0.00 42.46 42.15 1ijq s ILE 501 CO 0.18 -0.08 -0.08 0.68 -1.91 0.00 0.00 174.94 173.73 1ijq s VAL 502 N -0.20 0.63 0.17 4.00 -7.23 0.08 -4.41 120.40 113.43 1ijq s VAL 502 Ca -0.03 -1.33 0.10 0.00 -1.81 0.00 0.00 61.98 58.91 1ijq s VAL 502 Cb -0.03 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.94 1ijq s VAL 502 CO 0.01 -0.50 -0.23 0.68 -0.31 0.00 0.00 175.10 174.74 1ijq s VAL 503 N -1.98 2.14 -0.46 1.32 -7.23 -1.26 -1.11 120.40 111.83 1ijq s VAL 503 Ca -0.03 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.24 1ijq s VAL 503 Cb -0.06 -1.98 0.13 0.00 0.56 0.00 0.00 36.38 35.04 1ijq s VAL 503 CO -0.01 -0.13 0.25 -0.62 -0.31 0.00 0.00 175.10 174.28 1ijq s ASP 504 N -2.51 3.77 0.00 4.85 -1.08 0.50 -4.98 116.67 117.23 1ijq s ASP 504 Ca 0.17 -2.71 0.25 0.00 -0.52 0.00 0.00 52.55 49.74 1ijq s ASP 504 Cb -0.08 -1.15 1.26 0.00 -1.46 0.00 0.00 42.92 41.49 1ijq s ASP 504 CO 0.08 -0.26 1.85 -0.81 0.52 0.00 0.00 175.17 176.55 1ijq n PRO 505 N 3.44 0.32 0.05 4.34 -0.04 -1.26 -0.64 135.00 141.21 1ijq n PRO 505 Ca 0.08 0.05 -0.15 0.00 -0.04 0.00 0.00 63.50 63.44 1ijq n PRO 505 Cb 0.34 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 1ijq n PRO 505 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ijq h VAL 506 N 0.00 1.12 -0.00 0.52 2.07 -1.94 -3.39 116.25 114.62 1ijq h VAL 506 Ca 0.00 -2.80 0.00 0.00 0.82 0.00 0.00 66.70 64.72 1ijq h VAL 506 Cb 0.26 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1ijq h VAL 506 CO 0.00 0.79 -0.51 1.41 0.02 0.00 0.00 177.57 179.28 1ijq n HIS 507 N -3.38 0.00 -1.37 1.57 8.25 -0.98 -4.96 115.22 114.34 1ijq n HIS 507 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1ijq n HIS 507 Cb 1.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.15 1ijq n HIS 507 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ijq n GLY 508 N 1.23 0.42 3.33 -1.41 0.00 0.19 -0.55 105.19 108.40 1ijq n GLY 508 Ca 0.04 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 1ijq n GLY 508 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ijq s PHE 509 N -2.00 1.78 0.11 1.61 0.08 -1.07 -1.09 117.98 117.41 1ijq s PHE 509 Ca 0.00 -0.49 0.05 0.00 0.12 0.00 0.00 56.93 56.61 1ijq s PHE 509 Cb 0.00 -0.88 -0.04 0.00 -0.57 0.00 0.00 43.02 41.54 1ijq s PHE 509 CO 0.00 0.33 -0.13 0.00 -0.10 0.00 0.00 175.22 175.32 1ijq s MET 510 N -2.97 0.98 -0.03 0.44 0.23 0.53 -0.37 119.30 118.11 1ijq s MET 510 Ca 0.17 -1.20 0.02 0.00 -1.03 0.00 0.00 55.69 53.64 1ijq s MET 510 Cb -0.05 -0.83 0.01 0.00 -1.53 0.00 0.00 34.83 32.43 1ijq s MET 510 CO 0.07 0.16 -0.07 0.71 -2.03 0.00 0.00 175.02 173.86 1ijq s TYR 511 N -2.13 0.78 0.05 3.16 2.02 -0.26 -1.26 117.35 119.71 1ijq s TYR 511 Ca 0.08 -0.20 -0.08 0.00 -0.37 0.00 0.00 57.07 56.50 1ijq s TYR 511 Cb -0.05 -0.60 -0.00 0.00 -0.40 0.00 0.00 41.96 40.91 1ijq s TYR 511 CO 0.02 -0.12 0.17 1.67 -1.57 0.00 0.00 175.55 175.72 1ijq s TRP 512 N 0.42 0.12 0.28 2.71 -2.14 -0.63 -0.74 118.94 118.96 1ijq s TRP 512 Ca -0.06 -0.41 -0.05 0.00 2.66 0.00 0.00 56.10 58.24 1ijq s TRP 512 Cb -0.10 -0.07 -0.05 0.00 -3.10 0.00 0.00 33.47 30.15 1ijq s TRP 512 CO 0.00 -0.44 0.54 0.95 -2.66 0.00 0.00 176.95 175.34 1ijq s THR 513 N -2.92 5.03 -0.14 0.66 -4.23 -0.09 -0.62 115.64 113.33 1ijq s THR 513 Ca -0.02 0.04 -0.04 0.00 -1.18 0.00 0.00 61.69 60.49 1ijq s THR 513 Cb 0.01 -3.73 0.07 0.00 1.34 0.00 0.00 72.50 70.18 1ijq s THR 513 CO -0.06 -0.30 0.17 -0.62 -0.54 0.00 0.00 174.62 173.26 1ijq s ASP 514 N -3.14 1.28 -0.28 3.99 -1.08 -0.18 -0.63 116.67 116.63 1ijq s ASP 514 Ca 0.44 -0.04 0.12 0.00 -0.52 0.00 0.00 52.55 52.54 1ijq s ASP 514 Cb -0.11 0.21 0.72 0.00 -1.46 0.00 0.00 42.92 42.28 1ijq s ASP 514 CO 0.30 -0.29 1.72 -2.67 0.52 0.00 0.00 175.17 174.74 1ijq n TRP 515 N 5.31 2.05 -0.46 -5.34 4.27 -0.91 -1.60 117.44 120.77 1ijq n TRP 515 Ca -0.05 -1.08 0.00 0.00 -3.89 0.00 0.00 57.50 52.48 1ijq n TRP 515 Cb 0.50 -0.58 0.00 0.00 -1.36 0.00 0.00 31.31 29.87 1ijq n TRP 515 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1ijq n GLY 516 N -0.11 -1.37 3.09 -1.67 0.00 -1.26 -4.85 105.19 99.02 1ijq n GLY 516 Ca 0.35 -1.58 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 1ijq n GLY 516 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ijq s THR 517 N -0.54 3.68 0.09 2.61 -4.23 -1.26 -2.51 115.64 113.47 1ijq s THR 517 Ca 0.00 -3.01 0.02 0.00 -1.18 0.00 0.00 61.69 57.52 1ijq s THR 517 Cb 0.00 -3.40 -0.04 0.00 1.34 0.00 0.00 72.50 70.40 1ijq s THR 517 CO 0.00 -0.88 0.17 -2.16 -0.54 0.00 0.00 174.62 171.21 1ijq s PRO 518 N -0.12 3.20 0.56 3.99 0.05 -1.26 -5.06 135.00 136.36 1ijq s PRO 518 Ca 0.17 -0.58 -0.06 0.00 0.05 0.00 0.00 61.00 60.58 1ijq s PRO 518 Cb -0.20 -2.89 -0.01 0.00 0.05 0.00 0.00 34.50 31.45 1ijq s PRO 518 CO -0.03 0.57 0.88 0.00 0.05 0.00 0.00 177.00 178.47 1ijq s ALA 519 N -1.52 3.31 0.10 8.56 0.00 -1.04 -4.91 121.76 126.25 1ijq s ALA 519 Ca 0.33 -0.57 -0.26 0.00 0.00 0.00 0.00 51.96 51.46 1ijq s ALA 519 Cb -0.12 -2.65 0.09 0.00 0.00 0.00 0.00 23.12 20.43 1ijq s ALA 519 CO 0.26 -0.65 1.12 -1.59 0.00 0.00 0.00 175.76 174.89 1ijq s LYS 520 N -4.93 0.92 -0.16 0.00 0.00 -0.63 -4.72 119.74 110.21 1ijq s LYS 520 Ca 0.52 -0.56 -0.01 0.00 0.00 0.00 0.00 55.97 55.92 1ijq s LYS 520 Cb -0.10 0.28 -0.01 0.00 0.00 0.00 0.00 37.83 37.99 1ijq s LYS 520 CO 0.46 -0.43 -0.10 0.42 0.00 0.00 0.00 175.35 175.70 1ijq s ILE 521 N -2.48 3.13 0.14 3.79 1.01 -0.74 -1.01 121.20 125.03 1ijq s ILE 521 Ca 0.19 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.27 1ijq s ILE 521 Cb -0.00 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 1ijq s ILE 521 CO 0.01 0.49 0.12 -0.54 0.00 0.00 0.00 174.94 175.03 1ijq s LYS 522 N 0.77 2.91 -0.11 2.79 1.02 0.20 -0.44 119.74 126.88 1ijq s LYS 522 Ca -0.04 -0.81 0.02 0.00 0.02 0.00 0.00 55.97 55.16 1ijq s LYS 522 Cb -0.15 -2.68 0.01 0.00 -0.52 0.00 0.00 37.83 34.49 1ijq s LYS 522 CO 0.01 0.51 -0.17 0.21 -0.92 0.00 0.00 175.35 174.99 1ijq s LYS 523 N -2.88 2.41 0.08 1.68 2.20 -0.24 -1.60 119.74 121.39 1ijq s LYS 523 Ca 0.30 -0.63 -0.00 0.00 -0.36 0.00 0.00 55.97 55.28 1ijq s LYS 523 Cb -0.11 -2.00 -0.04 0.00 -1.51 0.00 0.00 37.83 34.17 1ijq s LYS 523 CO 0.23 -0.03 -0.01 0.20 -0.36 0.00 0.00 175.35 175.37 1ijq s GLY 524 N 0.90 0.68 0.56 5.54 0.00 -0.39 -1.28 107.32 113.34 1ijq s GLY 524 Ca -0.08 -1.32 -0.18 0.00 0.00 0.00 0.00 44.72 43.15 1ijq s GLY 524 CO -0.01 -1.36 1.09 -0.32 0.00 0.00 0.00 173.10 172.49 1ijq s GLY 525 N -2.98 2.40 0.04 0.20 0.00 -0.17 -0.34 107.32 106.45 1ijq s GLY 525 Ca 0.13 0.62 0.16 0.00 0.00 0.00 0.00 44.72 45.63 1ijq s GLY 525 CO -0.06 0.96 1.50 1.04 0.00 0.00 0.00 173.10 176.54 1ijq n LEU 526 N -1.59 0.09 -1.13 0.66 4.77 -0.25 -1.36 117.00 118.19 1ijq n LEU 526 Ca 0.10 0.52 0.12 0.00 -0.03 0.00 0.00 56.01 56.72 1ijq n LEU 526 Cb 0.52 -0.51 0.25 0.00 -2.33 0.00 0.00 43.42 41.35 1ijq n LEU 526 CO 0.44 -0.29 0.72 -0.46 -1.33 0.00 0.00 177.39 176.47 1ijq n ASN 527 N -1.60 3.35 -0.65 -1.43 6.94 -0.85 -4.58 115.26 116.43 1ijq n ASN 527 Ca 0.03 -1.97 -0.08 0.00 -0.02 0.00 0.00 54.58 52.54 1ijq n ASN 527 Cb 0.18 -0.29 -0.03 0.00 -2.36 0.00 0.00 39.78 37.28 1ijq n ASN 527 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ijq n GLY 528 N 1.50 0.87 0.03 4.83 0.00 -0.46 -4.95 105.19 107.01 1ijq n GLY 528 Ca 0.20 -0.66 -0.03 0.00 0.00 0.00 0.00 46.02 45.52 1ijq n GLY 528 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ijq n VAL 529 N -2.93 0.59 -2.94 1.61 0.31 -1.26 -4.83 118.33 108.88 1ijq n VAL 529 Ca -0.08 0.36 -0.37 0.00 -0.01 0.00 0.00 64.34 64.24 1ijq n VAL 529 Cb 0.30 -1.84 -0.06 0.00 -0.91 0.00 0.00 33.84 31.33 1ijq n VAL 529 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1ijq s ASP 530 N -4.72 7.26 -0.22 4.52 1.01 -1.26 -4.92 116.67 118.34 1ijq s ASP 530 Ca -0.11 1.65 -0.20 0.00 0.71 0.00 0.00 52.55 54.60 1ijq s ASP 530 Cb 0.01 -2.50 0.06 0.00 1.01 0.00 0.00 42.92 41.50 1ijq s ASP 530 CO 0.16 0.04 0.58 -0.51 0.21 0.00 0.00 175.17 175.65 1ijq s ILE 531 N -1.46 -0.00 0.23 0.77 2.07 -1.26 -1.00 121.20 120.54 1ijq s ILE 531 Ca 0.44 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 59.47 1ijq s ILE 531 Cb -0.19 -0.80 0.04 0.00 0.13 0.00 0.00 42.46 41.63 1ijq s ILE 531 CO 0.24 0.00 0.66 -0.72 -1.91 0.00 0.00 174.94 173.21 1ijq s TYR 532 N 0.36 -0.32 -0.34 3.50 -0.85 -0.40 -5.01 117.35 114.28 1ijq s TYR 532 Ca -0.00 -0.03 -0.24 0.00 -0.52 0.00 0.00 57.07 56.28 1ijq s TYR 532 Cb -0.04 0.63 0.01 0.00 0.38 0.00 0.00 41.96 42.93 1ijq s TYR 532 CO 0.00 -1.06 0.80 -1.12 -1.52 0.00 0.00 175.55 172.64 1ijq s SER 533 N -2.85 6.60 0.00 -0.18 0.01 -1.26 -1.08 113.70 114.95 1ijq s SER 533 Ca 0.07 0.49 -0.19 0.00 1.31 0.00 0.00 55.95 57.63 1ijq s SER 533 Cb -0.04 -2.41 -0.27 0.00 0.21 0.00 0.00 66.02 63.51 1ijq s SER 533 CO -0.02 -0.70 1.04 0.25 0.41 0.00 0.00 173.24 174.22 1ijq h LEU 534 N 9.67 0.62 -7.96 2.44 5.85 -1.06 -3.44 115.31 121.42 1ijq h LEU 534 Ca -0.24 -0.83 -0.60 0.00 0.84 0.00 0.00 57.88 57.04 1ijq h LEU 534 Cb 1.09 -0.19 -0.35 0.00 0.37 0.00 0.00 40.66 41.58 1ijq h LEU 534 CO 0.91 1.39 -0.84 -0.69 -0.34 0.00 0.00 178.44 178.87 1ijq s VAL 535 N -2.92 1.57 0.00 1.05 1.01 -0.97 -4.83 120.40 115.32 1ijq s VAL 535 Ca -0.12 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1ijq s VAL 535 Cb 0.03 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.96 1ijq s VAL 535 CO 0.86 0.46 0.00 0.35 0.00 0.00 0.00 175.10 176.76 1ijq n THR 536 N 4.49 0.00 -4.11 3.92 -2.24 -1.26 -1.80 114.28 113.29 1ijq n THR 536 Ca -0.18 -0.23 -0.31 0.00 -2.27 0.00 0.00 64.05 61.06 1ijq n THR 536 Cb 0.51 0.84 -0.07 0.00 -2.10 0.00 0.00 70.33 69.50 1ijq n THR 536 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ijq s GLU 537 N -0.75 2.82 -1.21 -0.78 0.41 -1.26 -4.67 118.70 113.27 1ijq s GLU 537 Ca 0.00 -0.68 -0.12 0.00 -0.41 0.00 0.00 54.97 53.76 1ijq s GLU 537 Cb 0.00 -2.70 -0.01 0.00 -1.78 0.00 0.00 34.13 29.64 1ijq s GLU 537 CO 0.00 0.58 0.73 0.09 -0.49 0.00 0.00 175.26 176.16 1ijq n ASN 538 N 0.71 -3.79 -3.69 -0.19 3.02 -1.26 -4.99 115.26 105.07 1ijq n ASN 538 Ca -0.10 -0.95 -0.10 0.00 -0.03 0.00 0.00 54.58 53.40 1ijq n ASN 538 Cb 0.52 -3.63 -0.11 0.00 -0.61 0.00 0.00 39.78 35.95 1ijq n ASN 538 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1ijq s ILE 539 N -3.58 -0.10 0.15 2.41 2.07 -1.26 -5.07 121.20 115.81 1ijq s ILE 539 Ca 0.30 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.65 1ijq s ILE 539 Cb -0.10 -0.62 0.00 0.00 0.13 0.00 0.00 42.46 41.87 1ijq s ILE 539 CO 0.84 0.04 0.00 0.00 -1.91 0.00 0.00 174.94 173.92 1ijq n GLN 540 N 4.41 0.00 -3.17 3.50 1.13 -1.26 -4.48 117.38 117.52 1ijq n GLN 540 Ca -0.21 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.59 1ijq n GLN 540 Cb 0.54 -0.24 -0.06 0.00 0.11 0.00 0.00 30.24 30.59 1ijq n GLN 540 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 1ijq n TRP 541 N -3.30 2.86 -1.94 1.08 8.01 -1.26 -4.69 117.44 118.20 1ijq n TRP 541 Ca 0.00 -3.98 -0.42 0.00 -1.31 0.00 0.00 57.50 51.79 1ijq n TRP 541 Cb 0.06 -0.49 -0.03 0.00 -2.01 0.00 0.00 31.31 28.85 1ijq n TRP 541 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1ijq s PRO 542 N -2.73 4.19 0.00 -0.99 0.04 -1.26 -1.05 135.00 133.20 1ijq s PRO 542 Ca 0.43 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.76 1ijq s PRO 542 Cb 0.23 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.93 1ijq s PRO 542 CO -0.08 -0.81 0.00 0.09 0.04 0.00 0.00 177.00 176.24 1ijq n ASN 543 N 6.54 0.00 -4.81 6.66 5.03 -0.46 -4.42 115.26 123.79 1ijq n ASN 543 Ca 0.17 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.29 1ijq n ASN 543 Cb 0.42 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.17 1ijq n ASN 543 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1ijq s GLY 544 N -0.29 2.15 0.02 7.41 0.00 0.76 -3.77 107.32 113.59 1ijq s GLY 544 Ca 0.00 0.35 -0.05 0.00 0.00 0.00 0.00 44.72 45.03 1ijq s GLY 544 CO 0.00 0.66 0.08 -1.50 0.00 0.00 0.00 173.10 172.33 1ijq s ILE 545 N -2.46 0.11 0.01 0.90 2.07 -1.26 -1.84 121.20 118.73 1ijq s ILE 545 Ca 0.63 -0.91 -0.16 0.00 -1.41 0.00 0.00 60.65 58.79 1ijq s ILE 545 Cb -0.14 -0.57 0.03 0.00 0.13 0.00 0.00 42.46 41.91 1ijq s ILE 545 CO 0.34 -0.50 0.36 0.28 -1.91 0.00 0.00 174.94 173.50 1ijq s THR 546 N -1.87 0.06 -0.05 4.00 -1.32 -0.10 -4.79 115.64 111.58 1ijq s THR 546 Ca -0.11 -0.49 0.05 0.00 -1.21 0.00 0.00 61.69 59.92 1ijq s THR 546 Cb -0.06 -0.80 -0.01 0.00 -1.51 0.00 0.00 72.50 70.13 1ijq s THR 546 CO -0.01 -0.27 -0.20 -0.22 -2.21 0.00 0.00 174.62 171.71 1ijq s LEU 547 N -1.65 1.97 -0.65 9.08 2.96 -1.26 -1.02 118.68 128.11 1ijq s LEU 547 Ca -0.09 -0.41 -0.16 0.00 -0.22 0.00 0.00 54.13 53.24 1ijq s LEU 547 Cb -0.03 -1.12 0.15 0.00 0.50 0.00 0.00 46.19 45.69 1ijq s LEU 547 CO 0.01 0.19 0.65 -0.62 -1.32 0.00 0.00 176.35 175.26 1ijq s ASP 548 N -0.04 6.37 0.08 3.68 -1.08 -0.13 -4.95 116.67 120.60 1ijq s ASP 548 Ca -0.04 -1.97 -0.21 0.00 -0.52 0.00 0.00 52.55 49.81 1ijq s ASP 548 Cb -0.12 -2.24 -0.11 0.00 -1.46 0.00 0.00 42.92 38.98 1ijq s ASP 548 CO 0.03 -0.85 1.64 0.25 0.52 0.00 0.00 175.17 176.76 1ijq h LEU 549 N 8.91 0.17 -0.60 -1.34 6.46 -1.88 -1.46 115.31 125.57 1ijq h LEU 549 Ca -0.16 -0.13 0.12 0.00 -0.12 0.00 0.00 57.88 57.59 1ijq h LEU 549 Cb 1.08 -0.04 -0.10 0.00 -0.73 0.00 0.00 40.66 40.87 1ijq h LEU 549 CO 0.98 0.26 0.05 -0.07 -0.62 0.00 0.00 178.44 179.03 1ijq h LEU 550 N 0.07 -0.18 -0.23 2.25 3.38 -1.93 -2.28 115.31 116.40 1ijq h LEU 550 Ca 0.04 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1ijq h LEU 550 Cb 0.13 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1ijq h LEU 550 CO -0.00 -0.07 -0.33 -1.54 0.09 0.00 0.00 178.44 176.59 1ijq n SER 551 N -5.23 0.69 -2.86 -0.43 3.41 -1.15 -4.97 113.62 103.07 1ijq n SER 551 Ca 0.09 -0.51 -0.16 0.00 -0.26 0.00 0.00 58.87 58.02 1ijq n SER 551 Cb 0.34 0.12 0.06 0.00 -0.26 0.00 0.00 64.21 64.48 1ijq n SER 551 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ijq n GLY 552 N 1.41 -0.19 3.10 5.00 0.00 -0.58 -4.95 105.19 108.98 1ijq n GLY 552 Ca 0.09 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1ijq n GLY 552 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ijq s ARG 553 N -5.66 2.36 -0.03 1.61 6.06 -1.02 -1.55 118.95 120.72 1ijq s ARG 553 Ca 0.29 -0.63 -0.02 0.00 -2.50 0.00 0.00 55.73 52.87 1ijq s ARG 553 Cb -0.13 -1.90 -0.04 0.00 0.06 0.00 0.00 34.95 32.94 1ijq s ARG 553 CO 0.56 0.04 0.11 -0.51 -2.50 0.00 0.00 175.30 172.99 1ijq s LEU 554 N 0.69 4.06 -0.01 -0.88 1.43 0.55 -0.96 118.68 123.57 1ijq s LEU 554 Ca -0.13 0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 1ijq s LEU 554 Cb -0.16 -2.29 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 1ijq s LEU 554 CO 0.03 0.30 -0.16 -0.31 0.23 0.00 0.00 176.35 176.44 1ijq s TYR 555 N -1.18 1.41 0.07 0.29 2.02 -0.19 -1.03 117.35 118.75 1ijq s TYR 555 Ca 0.22 -0.27 -0.07 0.00 -0.37 0.00 0.00 57.07 56.58 1ijq s TYR 555 Cb -0.12 -0.90 -0.01 0.00 -0.40 0.00 0.00 41.96 40.53 1ijq s TYR 555 CO 0.13 -0.02 0.14 1.67 -1.57 0.00 0.00 175.55 175.91 1ijq s TRP 556 N -0.41 0.20 0.02 2.71 -2.14 -0.34 -0.92 118.94 118.07 1ijq s TRP 556 Ca 0.06 -0.60 0.03 0.00 2.66 0.00 0.00 56.10 58.25 1ijq s TRP 556 Cb -0.06 -0.12 -0.04 0.00 -3.10 0.00 0.00 33.47 30.16 1ijq s TRP 556 CO -0.00 -0.48 -0.03 0.14 -2.66 0.00 0.00 176.95 173.92 1ijq s VAL 557 N -3.51 3.93 -0.23 -0.66 -7.23 -0.77 -0.88 120.40 111.05 1ijq s VAL 557 Ca 0.02 -0.76 0.02 0.00 -1.81 0.00 0.00 61.98 59.45 1ijq s VAL 557 Cb 0.04 -2.77 0.04 0.00 0.56 0.00 0.00 36.38 34.25 1ijq s VAL 557 CO -0.09 0.32 -0.13 -0.62 -0.31 0.00 0.00 175.10 174.27 1ijq s ASP 558 N -1.69 3.98 0.42 4.85 -1.08 -0.47 -1.35 116.67 121.33 1ijq s ASP 558 Ca 0.20 -1.07 0.28 0.00 -0.52 0.00 0.00 52.55 51.44 1ijq s ASP 558 Cb -0.11 -1.54 1.01 0.00 -1.46 0.00 0.00 42.92 40.82 1ijq s ASP 558 CO 0.11 -0.12 1.82 0.28 0.52 0.00 0.00 175.17 177.79 1ijq h SER 559 N 7.86 0.00 0.14 -0.34 0.02 -1.31 -1.36 113.55 118.56 1ijq h SER 559 Ca -0.30 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.29 1ijq h SER 559 Cb 1.08 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.59 1ijq h SER 559 CO 0.54 0.00 -2.08 1.17 -1.14 0.00 0.00 176.83 175.32 1ijq n LYS 560 N -2.80 0.72 0.00 3.45 3.00 -1.26 -4.21 118.16 117.06 1ijq n LYS 560 Ca 0.02 0.23 0.14 0.00 -0.00 0.00 0.00 58.31 58.70 1ijq n LYS 560 Cb 0.35 -1.67 0.57 0.00 0.00 0.00 0.00 35.03 34.28 1ijq n LYS 560 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ijq n LEU 561 N -3.34 0.75 -3.67 3.14 4.77 -1.21 -4.95 117.00 112.49 1ijq n LEU 561 Ca -0.33 -0.15 -0.24 0.00 -0.03 0.00 0.00 56.01 55.26 1ijq n LEU 561 Cb 1.04 -0.12 0.03 0.00 -2.33 0.00 0.00 43.42 42.05 1ijq n LEU 561 CO 0.40 0.13 -0.07 1.41 -1.33 0.00 0.00 177.39 177.93 1ijq n HIS 562 N -0.67 -1.95 -4.01 -1.77 8.25 -0.54 -4.85 115.22 109.68 1ijq n HIS 562 Ca 0.16 0.73 -0.09 0.00 -0.26 0.00 0.00 57.72 58.26 1ijq n HIS 562 Cb 0.29 -4.06 -0.08 0.00 1.12 0.00 0.00 29.99 27.26 1ijq n HIS 562 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1ijq s SER 563 N -4.03 0.21 -0.09 0.41 1.04 -1.04 -1.98 113.70 108.23 1ijq s SER 563 Ca 0.17 -0.94 0.03 0.00 0.48 0.00 0.00 55.95 55.69 1ijq s SER 563 Cb -0.05 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.41 1ijq s SER 563 CO 0.82 -0.76 -0.19 -0.63 0.98 0.00 0.00 173.24 173.46 1ijq s ILE 564 N -3.96 1.68 0.26 -1.02 1.01 -0.37 -1.37 121.20 117.43 1ijq s ILE 564 Ca 0.15 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 60.02 1ijq s ILE 564 Cb 0.06 -1.48 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 1ijq s ILE 564 CO -0.04 0.48 0.08 -0.44 0.00 0.00 0.00 174.94 175.02 1ijq s SER 565 N 0.50 1.44 0.04 3.58 0.01 -0.06 -0.82 113.70 118.40 1ijq s SER 565 Ca -0.17 -1.36 -0.08 0.00 1.31 0.00 0.00 55.95 55.66 1ijq s SER 565 Cb -0.17 0.11 -0.00 0.00 0.21 0.00 0.00 66.02 66.16 1ijq s SER 565 CO 0.06 -0.68 0.15 -0.94 0.41 0.00 0.00 173.24 172.24 1ijq s SER 566 N -3.33 0.11 0.02 2.44 1.04 -0.15 -1.20 113.70 112.62 1ijq s SER 566 Ca 0.36 -0.48 -0.27 0.00 0.48 0.00 0.00 55.95 56.05 1ijq s SER 566 Cb 0.08 0.27 0.06 0.00 0.10 0.00 0.00 66.02 66.53 1ijq s SER 566 CO 0.13 -0.56 0.61 -0.51 0.98 0.00 0.00 173.24 173.89 1ijq s ILE 567 N -2.76 0.01 0.86 -1.02 2.07 -0.19 -0.69 121.20 119.47 1ijq s ILE 567 Ca -0.04 -0.07 -0.11 0.00 -1.41 0.00 0.00 60.65 59.02 1ijq s ILE 567 Cb -0.00 -0.98 0.11 0.00 0.13 0.00 0.00 42.46 41.72 1ijq s ILE 567 CO -0.05 -0.04 1.09 -1.81 -1.91 0.00 0.00 174.94 172.22 1ijq s ASP 568 N -1.68 3.81 0.19 4.50 1.01 0.06 -0.33 116.67 124.23 1ijq s ASP 568 Ca -0.07 1.54 0.20 0.00 0.71 0.00 0.00 52.55 54.92 1ijq s ASP 568 Cb -0.01 -2.23 0.86 0.00 1.01 0.00 0.00 42.92 42.56 1ijq s ASP 568 CO 0.03 -2.44 1.60 1.33 0.21 0.00 0.00 175.17 175.90 1ijq n VAL 569 N -3.76 0.98 0.59 -1.27 0.24 -0.59 -1.23 118.33 113.28 1ijq n VAL 569 Ca 0.07 0.33 0.12 0.00 -2.04 0.00 0.00 64.34 62.83 1ijq n VAL 569 Cb 0.55 -1.24 0.22 0.00 -1.47 0.00 0.00 33.84 31.90 1ijq n VAL 569 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1ijq n ASN 570 N -2.03 3.10 0.00 -1.34 6.94 -1.26 -4.95 115.26 115.72 1ijq n ASN 570 Ca 0.02 -1.95 0.00 0.00 -0.02 0.00 0.00 54.58 52.63 1ijq n ASN 570 Cb 0.17 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.41 1ijq n ASN 570 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ijq n GLY 571 N 1.43 0.63 3.95 4.83 0.00 -0.37 -5.07 105.19 110.59 1ijq n GLY 571 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1ijq n GLY 571 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ijq s GLY 572 N -1.26 1.57 -1.33 -0.02 0.00 -1.26 -4.59 107.32 100.43 1ijq s GLY 572 Ca 0.00 -1.02 -0.02 0.00 0.00 0.00 0.00 44.72 43.68 1ijq s GLY 572 CO 0.00 -0.84 0.79 0.70 0.00 0.00 0.00 173.10 173.75 1ijq n ASN 573 N -2.12 -1.97 -4.77 1.64 5.03 -1.26 -0.76 115.26 111.04 1ijq n ASN 573 Ca 0.02 -0.78 -0.41 0.00 0.87 0.00 0.00 54.58 54.28 1ijq n ASN 573 Cb 0.58 -4.19 -0.02 0.00 -1.02 0.00 0.00 39.78 35.13 1ijq n ASN 573 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1ijq s ARG 574 N -6.01 4.31 0.01 3.52 3.52 -1.26 -4.48 118.95 118.56 1ijq s ARG 574 Ca 0.12 2.26 0.00 0.00 -0.13 0.00 0.00 55.73 57.98 1ijq s ARG 574 Cb -0.06 -3.04 -0.01 0.00 -1.56 0.00 0.00 34.95 30.28 1ijq s ARG 574 CO 0.80 -0.24 -0.02 0.15 -0.81 0.00 0.00 175.30 175.18 1ijq s LYS 575 N -1.85 0.19 -0.37 5.12 1.02 0.13 -5.00 119.74 118.98 1ijq s LYS 575 Ca 0.50 -0.29 -0.14 0.00 0.02 0.00 0.00 55.97 56.06 1ijq s LYS 575 Cb -0.40 -0.03 -0.00 0.00 -0.52 0.00 0.00 37.83 36.88 1ijq s LYS 575 CO 0.54 -0.00 0.29 0.99 -0.92 0.00 0.00 175.35 176.25 1ijq s THR 576 N -0.62 5.25 -0.13 2.17 2.01 -1.26 -0.98 115.64 122.08 1ijq s THR 576 Ca -0.06 -0.35 -0.27 0.00 0.31 0.00 0.00 61.69 61.33 1ijq s THR 576 Cb -0.04 -3.82 -0.24 0.00 0.01 0.00 0.00 72.50 68.40 1ijq s THR 576 CO -0.00 -0.15 0.75 0.40 -0.69 0.00 0.00 174.62 174.93 1ijq h ILE 577 N 5.56 1.65 -2.88 1.82 1.08 -1.26 -3.48 117.51 120.01 1ijq h ILE 577 Ca -0.29 -2.18 -0.13 0.00 -0.39 0.00 0.00 64.86 61.86 1ijq h ILE 577 Cb 1.14 3.09 -0.23 0.00 -3.07 0.00 0.00 36.82 37.75 1ijq h ILE 577 CO 0.68 0.55 -0.28 -0.22 -0.69 0.00 0.00 178.15 178.19 1ijq s LEU 578 N -8.31 0.64 -0.24 1.44 2.96 -1.10 -3.38 118.68 110.70 1ijq s LEU 578 Ca -0.18 0.60 -0.01 0.00 -0.22 0.00 0.00 54.13 54.32 1ijq s LEU 578 Cb -0.03 1.27 0.07 0.00 0.50 0.00 0.00 46.19 48.01 1ijq s LEU 578 CO 0.64 -0.20 0.00 -1.61 -1.32 0.00 0.00 176.35 173.87 1ijq s GLU 579 N -0.15 1.13 -0.10 1.98 2.02 -1.26 -1.24 118.70 121.08 1ijq s GLU 579 Ca -0.03 -0.83 -0.02 0.00 0.02 0.00 0.00 54.97 54.11 1ijq s GLU 579 Cb -0.03 -2.35 0.03 0.00 0.10 0.00 0.00 34.13 31.88 1ijq s GLU 579 CO 0.01 -0.68 0.01 0.34 0.02 0.00 0.00 175.26 174.96 1ijq s ASP 580 N 1.58 1.84 0.38 -0.19 -1.08 -0.84 -5.03 116.67 113.33 1ijq s ASP 580 Ca -0.01 -0.23 0.09 0.00 -0.52 0.00 0.00 52.55 51.89 1ijq s ASP 580 Cb -0.18 -0.47 0.75 0.00 -1.46 0.00 0.00 42.92 41.57 1ijq s ASP 580 CO -0.10 -0.22 1.89 -0.08 0.52 0.00 0.00 175.17 177.19 1ijq h GLU 581 N 8.31 0.23 0.00 4.34 4.57 -1.85 -2.08 114.58 128.11 1ijq h GLU 581 Ca -0.19 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 57.87 1ijq h GLU 581 Cb 1.12 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 1ijq h GLU 581 CO 0.28 0.40 -0.77 1.63 -1.18 0.00 0.00 179.01 179.37 1ijq n LYS 582 N -4.25 0.49 0.20 1.92 5.02 -1.26 -3.35 118.16 116.93 1ijq n LYS 582 Ca -0.01 0.51 0.07 0.00 -2.02 0.00 0.00 58.31 56.86 1ijq n LYS 582 Cb 0.29 -1.68 0.40 0.00 -0.02 0.00 0.00 35.03 34.01 1ijq n LYS 582 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ijq h ARG 583 N -1.00 0.00 -1.05 1.97 3.08 -2.00 -2.65 114.38 112.73 1ijq h ARG 583 Ca -0.09 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.34 1ijq h ARG 583 Cb 0.75 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 30.43 1ijq h ARG 583 CO -0.06 0.31 -0.08 1.28 -1.07 0.00 0.00 179.97 180.36 1ijq n LEU 584 N -3.51 6.05 -0.31 3.04 4.77 -0.78 -4.75 117.00 121.51 1ijq n LEU 584 Ca -0.00 -4.67 -0.03 0.00 -0.03 0.00 0.00 56.01 51.28 1ijq n LEU 584 Cb 0.47 -0.63 0.12 0.00 -2.33 0.00 0.00 43.42 41.04 1ijq n LEU 584 CO 0.35 1.89 1.17 0.00 -1.33 0.00 0.00 177.39 179.47 1ijq h ALA 585 N 2.25 1.21 -0.44 -1.18 0.00 -1.47 -3.38 119.26 116.24 1ijq h ALA 585 Ca 0.46 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 55.03 1ijq h ALA 585 Cb 1.08 -0.35 -0.16 0.00 0.00 0.00 0.00 17.79 18.37 1ijq h ALA 585 CO 1.11 0.64 -0.51 1.58 0.00 0.00 0.00 179.25 182.07 1ijq n HIS 586 N -4.34 -3.43 -2.09 0.00 -0.00 -1.26 -4.92 115.22 99.19 1ijq n HIS 586 Ca 0.09 -1.68 -0.36 0.00 0.46 0.00 0.00 57.72 56.23 1ijq n HIS 586 Cb 0.10 1.48 0.02 0.00 -0.12 0.00 0.00 29.99 31.46 1ijq n HIS 586 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1ijq s PRO 587 N 0.70 3.27 0.09 1.57 0.04 -1.26 -1.47 135.00 137.95 1ijq s PRO 587 Ca 0.31 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1ijq s PRO 587 Cb 0.14 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1ijq s PRO 587 CO -0.17 -0.97 0.00 1.19 0.04 0.00 0.00 177.00 177.09 1ijq n PHE 588 N -1.18 -0.28 -4.33 0.56 3.01 -0.31 -4.48 117.46 110.46 1ijq n PHE 588 Ca 0.11 0.05 -0.18 0.00 1.01 0.00 0.00 57.45 58.44 1ijq n PHE 588 Cb 0.49 0.09 -0.10 0.00 -0.01 0.00 0.00 39.48 39.94 1ijq n PHE 588 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ijq s SER 589 N -5.59 2.47 0.12 4.37 0.15 -1.26 -0.17 113.70 113.80 1ijq s SER 589 Ca 0.00 -0.98 -0.10 0.00 0.70 0.00 0.00 55.95 55.56 1ijq s SER 589 Cb 0.00 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1ijq s SER 589 CO 0.00 -0.17 0.27 -1.48 1.20 0.00 0.00 173.24 173.06 1ijq s LEU 590 N -3.15 1.06 0.06 3.45 2.34 -1.26 -0.97 118.68 120.21 1ijq s LEU 590 Ca 0.20 -0.65 -0.09 0.00 0.06 0.00 0.00 54.13 53.64 1ijq s LEU 590 Cb -0.01 1.27 0.00 0.00 -0.56 0.00 0.00 46.19 46.89 1ijq s LEU 590 CO 0.06 -0.81 0.20 0.00 -1.06 0.00 0.00 176.35 174.74 1ijq s ALA 591 N -3.88 -0.31 0.06 1.48 0.00 -0.09 -4.67 121.76 114.34 1ijq s ALA 591 Ca 0.08 -0.43 0.06 0.00 0.00 0.00 0.00 51.96 51.67 1ijq s ALA 591 Cb 0.04 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 1ijq s ALA 591 CO -0.08 -0.44 -0.16 0.14 0.00 0.00 0.00 175.76 175.23 1ijq s VAL 592 N -3.22 1.23 -0.28 0.00 -7.23 -1.26 -0.23 120.40 109.42 1ijq s VAL 592 Ca -0.00 -1.18 -0.18 0.00 -1.81 0.00 0.00 61.98 58.81 1ijq s VAL 592 Cb 0.02 -1.13 0.09 0.00 0.56 0.00 0.00 36.38 35.91 1ijq s VAL 592 CO -0.07 -0.06 0.73 0.12 -0.31 0.00 0.00 175.10 175.51 1ijq s PHE 593 N -1.01 -0.96 0.00 2.82 5.36 -0.45 -4.96 117.98 118.78 1ijq s PHE 593 Ca 0.02 1.98 0.00 0.00 -0.96 0.00 0.00 56.93 57.97 1ijq s PHE 593 Cb -0.09 0.54 0.00 0.00 -0.34 0.00 0.00 43.02 43.13 1ijq s PHE 593 CO 0.02 -0.47 0.00 0.39 -1.46 0.00 0.00 175.22 173.70 1ijq n GLU 594 N 3.90 0.00 -0.28 10.12 1.02 -1.26 -0.84 120.64 133.30 1ijq n GLU 594 Ca -0.19 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.04 1ijq n GLU 594 Cb 0.58 0.00 0.24 0.00 -0.02 0.00 0.00 31.44 32.24 1ijq n GLU 594 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ijq n ASP 595 N 5.28 2.92 -4.38 1.62 5.75 -1.26 -4.95 116.55 121.52 1ijq n ASP 595 Ca 0.00 -2.01 -0.23 0.00 -0.01 0.00 0.00 54.79 52.54 1ijq n ASP 595 Cb 0.00 -0.37 -0.11 0.00 -1.03 0.00 0.00 41.12 39.62 1ijq n ASP 595 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1ijq s LYS 596 N -1.29 1.41 -0.04 0.11 1.02 -0.02 -2.03 119.74 118.91 1ijq s LYS 596 Ca 0.36 -1.53 0.05 0.00 0.02 0.00 0.00 55.97 54.88 1ijq s LYS 596 Cb 0.19 -1.50 -0.02 0.00 -0.52 0.00 0.00 37.83 35.97 1ijq s LYS 596 CO 0.24 0.30 -0.18 0.54 -0.92 0.00 0.00 175.35 175.34 1ijq s VAL 597 N -2.17 2.76 0.03 3.17 0.11 0.39 -1.34 120.40 123.34 1ijq s VAL 597 Ca 0.20 -0.86 0.08 0.00 -2.93 0.00 0.00 61.98 58.48 1ijq s VAL 597 Cb -0.05 -2.06 -0.02 0.00 -1.53 0.00 0.00 36.38 32.72 1ijq s VAL 597 CO 0.09 0.57 -0.23 -0.36 -3.33 0.00 0.00 175.10 171.84 1ijq s PHE 598 N -0.71 2.02 0.08 1.54 0.40 0.69 -0.79 117.98 121.22 1ijq s PHE 598 Ca 0.11 -0.39 -0.13 0.00 -0.60 0.00 0.00 56.93 55.92 1ijq s PHE 598 Cb -0.10 -1.23 0.02 0.00 0.51 0.00 0.00 43.02 42.21 1ijq s PHE 598 CO 0.00 0.07 0.31 1.67 0.70 0.00 0.00 175.22 177.98 1ijq s TRP 599 N -0.73 -0.08 0.15 0.36 -2.14 -0.47 -0.91 118.94 115.12 1ijq s TRP 599 Ca 0.09 -0.20 0.03 0.00 2.66 0.00 0.00 56.10 58.68 1ijq s TRP 599 Cb -0.09 0.12 -0.04 0.00 -3.10 0.00 0.00 33.47 30.36 1ijq s TRP 599 CO 0.01 -0.59 0.23 0.95 -2.66 0.00 0.00 176.95 174.89 1ijq s THR 600 N -3.36 5.06 -0.05 0.66 -4.23 -0.14 -1.28 115.64 112.30 1ijq s THR 600 Ca 0.01 -0.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.72 1ijq s THR 600 Cb 0.02 -3.59 0.03 0.00 1.34 0.00 0.00 72.50 70.30 1ijq s THR 600 CO -0.09 -0.08 0.01 -0.62 -0.54 0.00 0.00 174.62 173.30 1ijq s ASP 601 N -3.13 1.21 0.44 3.99 -1.08 -0.22 -1.16 116.67 116.73 1ijq s ASP 601 Ca 0.33 -0.05 0.26 0.00 -0.52 0.00 0.00 52.55 52.57 1ijq s ASP 601 Cb -0.11 -0.35 0.62 0.00 -1.46 0.00 0.00 42.92 41.62 1ijq s ASP 601 CO 0.27 -0.17 1.71 0.40 0.52 0.00 0.00 175.17 177.90 1ijq h ILE 602 N 6.31 0.00 0.15 4.11 1.08 -1.56 -0.67 117.51 126.93 1ijq h ILE 602 Ca -0.25 -0.83 -0.27 0.00 -0.39 0.00 0.00 64.86 63.12 1ijq h ILE 602 Cb 1.13 1.83 0.01 0.00 -3.07 0.00 0.00 36.82 36.72 1ijq h ILE 602 CO 0.31 0.00 -1.30 0.40 -0.69 0.00 0.00 178.15 176.87 1ijq h ILE 603 N 0.00 1.19 0.00 -0.67 2.04 -1.94 -3.30 117.51 114.83 1ijq h ILE 603 Ca 0.00 -2.50 -0.07 0.00 1.00 0.00 0.00 64.86 63.30 1ijq h ILE 603 Cb 0.86 2.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.84 1ijq h ILE 603 CO 0.00 0.75 -0.31 0.78 0.00 0.00 0.00 178.15 179.37 1ijq h ASN 604 N -0.20 0.00 -5.87 1.72 2.35 -1.91 -3.47 115.58 108.20 1ijq h ASN 604 Ca -0.26 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.13 1ijq h ASN 604 Cb 1.84 0.00 0.11 0.00 0.05 0.00 0.00 38.32 40.32 1ijq h ASN 604 CO 0.13 0.31 -0.83 -0.62 -1.65 0.00 0.00 177.43 174.78 1ijq n GLU 605 N -3.37 -4.71 -3.96 0.81 1.02 -0.28 -4.65 120.64 105.49 1ijq n GLU 605 Ca 0.01 0.71 -0.09 0.00 -0.02 0.00 0.00 57.16 57.77 1ijq n GLU 605 Cb 0.52 -5.39 -0.04 0.00 -0.02 0.00 0.00 31.44 26.51 1ijq n GLU 605 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ijq s ALA 606 N -3.52 -0.38 -0.08 0.62 0.00 -1.07 -1.72 121.76 115.62 1ijq s ALA 606 Ca 0.11 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.29 1ijq s ALA 606 Cb -0.02 1.00 -0.00 0.00 0.00 0.00 0.00 23.12 24.10 1ijq s ALA 606 CO 0.78 -0.90 -0.22 0.42 0.00 0.00 0.00 175.76 175.84 1ijq s ILE 607 N -3.76 1.88 0.33 0.00 1.01 -0.20 -1.05 121.20 119.40 1ijq s ILE 607 Ca 0.20 -0.93 0.09 0.00 0.00 0.00 0.00 60.65 60.01 1ijq s ILE 607 Cb -0.02 -1.62 -0.06 0.00 0.01 0.00 0.00 42.46 40.77 1ijq s ILE 607 CO 0.10 0.52 -0.09 -0.36 0.00 0.00 0.00 174.94 175.11 1ijq s PHE 608 N 0.23 2.30 0.08 3.97 0.40 -0.41 -0.65 117.98 123.90 1ijq s PHE 608 Ca -0.13 -0.54 0.02 0.00 -0.60 0.00 0.00 56.93 55.68 1ijq s PHE 608 Cb -0.16 -1.31 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 1ijq s PHE 608 CO 0.06 0.52 -0.07 -1.54 0.70 0.00 0.00 175.22 174.89 1ijq s SER 609 N -3.57 1.07 0.26 1.36 1.04 -0.11 -1.36 113.70 112.38 1ijq s SER 609 Ca 0.32 -0.85 -0.21 0.00 0.48 0.00 0.00 55.95 55.69 1ijq s SER 609 Cb 0.03 0.07 0.04 0.00 0.10 0.00 0.00 66.02 66.26 1ijq s SER 609 CO 0.15 -0.37 0.82 0.00 0.98 0.00 0.00 173.24 174.83 1ijq s ALA 610 N -2.83 -1.28 0.19 5.32 0.00 0.03 -1.24 121.76 121.95 1ijq s ALA 610 Ca 0.04 -0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.43 1ijq s ALA 610 Cb -0.00 0.75 -0.09 0.00 0.00 0.00 0.00 23.12 23.78 1ijq s ALA 610 CO -0.03 -1.03 1.39 1.21 0.00 0.00 0.00 175.76 177.29 1ijq s ASN 611 N -2.99 6.78 0.00 0.00 3.84 0.15 -0.46 114.94 122.26 1ijq s ASN 611 Ca 0.13 2.48 0.26 0.00 0.21 0.00 0.00 52.86 55.94 1ijq s ASN 611 Cb -0.04 -2.61 1.39 0.00 -0.55 0.00 0.00 41.25 39.44 1ijq s ASN 611 CO 0.06 -0.63 1.92 -2.11 -2.79 0.00 0.00 177.10 173.55 1ijq n ARG 612 N 2.96 1.21 -0.09 0.43 1.85 -0.86 -1.39 116.66 120.77 1ijq n ARG 612 Ca 0.08 -0.31 -0.17 0.00 -1.00 0.00 0.00 57.85 56.45 1ijq n ARG 612 Cb 0.42 -1.43 -0.06 0.00 -1.05 0.00 0.00 32.46 30.34 1ijq n ARG 612 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1ijq n LEU 613 N -0.57 1.50 -0.40 2.89 4.77 -1.26 -4.79 117.00 119.13 1ijq n LEU 613 Ca 0.19 0.25 0.07 0.00 -0.03 0.00 0.00 56.01 56.49 1ijq n LEU 613 Cb 0.17 -0.60 0.02 0.00 -2.33 0.00 0.00 43.42 40.68 1ijq n LEU 613 CO 0.15 0.17 0.34 0.41 -1.33 0.00 0.00 177.39 177.12 1ijq n THR 614 N -3.98 0.00 -1.22 -5.08 -1.04 -1.25 -4.71 114.28 97.00 1ijq n THR 614 Ca -0.31 -0.43 -0.07 0.00 -2.04 0.00 0.00 64.05 61.20 1ijq n THR 614 Cb 0.66 1.21 -0.03 0.00 -1.82 0.00 0.00 70.33 70.34 1ijq n THR 614 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ijq n GLY 615 N 0.90 0.96 3.99 3.41 0.00 -0.48 -4.75 105.19 109.21 1ijq n GLY 615 Ca 0.06 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 1ijq n GLY 615 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ijq s SER 616 N -2.92 4.97 -1.02 1.61 0.15 -1.26 -4.63 113.70 110.60 1ijq s SER 616 Ca 0.00 -0.22 -0.08 0.00 0.70 0.00 0.00 55.95 56.35 1ijq s SER 616 Cb 0.00 -0.48 -0.05 0.00 -1.71 0.00 0.00 66.02 63.78 1ijq s SER 616 CO 0.00 -1.38 0.86 0.47 1.20 0.00 0.00 173.24 174.39 1ijq n ASP 617 N -2.48 -6.52 -4.71 5.45 9.92 -1.26 -0.67 116.55 116.29 1ijq n ASP 617 Ca 0.11 -0.69 -0.42 0.00 -0.53 0.00 0.00 54.79 53.26 1ijq n ASP 617 Cb 0.60 -4.79 -0.03 0.00 -0.64 0.00 0.00 41.12 36.26 1ijq n ASP 617 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ijq s VAL 618 N -3.34 4.08 0.01 2.53 1.01 -1.26 -4.36 120.40 119.07 1ijq s VAL 618 Ca 0.39 1.48 0.07 0.00 0.00 0.00 0.00 61.98 63.93 1ijq s VAL 618 Cb -0.07 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1ijq s VAL 618 CO 0.77 0.08 -0.22 0.20 0.00 0.00 0.00 175.10 175.93 1ijq s ASN 619 N 1.20 2.63 -0.35 3.32 0.01 -0.37 -4.95 114.94 116.43 1ijq s ASN 619 Ca 0.58 -0.46 -0.18 0.00 -0.71 0.00 0.00 52.86 52.09 1ijq s ASN 619 Cb -0.28 -0.26 -0.00 0.00 0.41 0.00 0.00 41.25 41.11 1ijq s ASN 619 CO 0.27 0.23 0.52 -0.22 -1.51 0.00 0.00 177.10 176.40 1ijq s LEU 620 N -0.83 4.33 0.02 0.60 2.96 -1.26 -0.93 118.68 123.57 1ijq s LEU 620 Ca 0.09 -0.00 0.22 0.00 -0.22 0.00 0.00 54.13 54.21 1ijq s LEU 620 Cb -0.09 -2.59 -0.23 0.00 0.50 0.00 0.00 46.19 43.78 1ijq s LEU 620 CO 0.00 -0.48 0.68 0.18 -1.32 0.00 0.00 176.35 175.42 1ijq n LEU 621 N 5.75 0.32 -3.60 -0.68 4.77 0.18 -5.00 117.00 118.74 1ijq n LEU 621 Ca -0.05 -0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.83 1ijq n LEU 621 Cb 0.49 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 1ijq n LEU 621 CO 0.45 0.01 0.84 0.00 -1.33 0.00 0.00 177.39 177.36 1ijq s ALA 622 N -3.39 -1.98 0.33 -1.18 0.00 -1.16 -4.80 121.76 109.57 1ijq s ALA 622 Ca -0.04 1.68 -0.06 0.00 0.00 0.00 0.00 51.96 53.55 1ijq s ALA 622 Cb 0.14 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 22.28 1ijq s ALA 622 CO 0.87 -0.28 0.51 -1.83 0.00 0.00 0.00 175.76 175.04 1ijq s GLU 623 N -0.84 1.88 -1.36 0.00 1.03 -1.26 -1.03 118.70 117.11 1ijq s GLU 623 Ca 0.01 -1.63 -0.08 0.00 0.03 0.00 0.00 54.97 53.30 1ijq s GLU 623 Cb -0.01 0.47 0.01 0.00 -0.80 0.00 0.00 34.13 33.79 1ijq s GLU 623 CO -0.02 -0.79 1.07 0.09 -1.33 0.00 0.00 175.26 174.28 1ijq n ASN 624 N -1.22 -6.27 -4.93 0.83 4.13 -0.85 -4.94 115.26 102.01 1ijq n ASN 624 Ca -0.01 -0.49 -0.26 0.00 1.68 0.00 0.00 54.58 55.51 1ijq n ASN 624 Cb 0.61 -4.93 0.02 0.00 -1.54 0.00 0.00 39.78 33.95 1ijq n ASN 624 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ijq s LEU 625 N -7.07 3.40 -0.45 3.41 1.43 -0.70 -5.06 118.68 113.65 1ijq s LEU 625 Ca 0.53 0.60 -0.06 0.00 -1.03 0.00 0.00 54.13 54.17 1ijq s LEU 625 Cb -0.23 -3.46 0.12 0.00 0.03 0.00 0.00 46.19 42.64 1ijq s LEU 625 CO 0.65 -0.90 0.28 -0.76 0.23 0.00 0.00 176.35 175.85 1ijq s LEU 626 N -4.83 5.48 -0.97 1.79 1.43 -1.26 -4.80 118.68 115.52 1ijq s LEU 626 Ca 0.51 -2.00 -0.12 0.00 -1.03 0.00 0.00 54.13 51.49 1ijq s LEU 626 Cb -0.10 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.21 1ijq s LEU 626 CO 0.43 -0.61 0.68 -1.20 0.23 0.00 0.00 176.35 175.88 1ijq n SER 627 N 4.71 -5.27 -4.14 2.29 7.64 -1.26 -2.75 113.62 114.83 1ijq n SER 627 Ca -0.05 -0.91 -0.38 0.00 1.01 0.00 0.00 58.87 58.54 1ijq n SER 627 Cb 0.41 -2.62 -0.04 0.00 -1.01 0.00 0.00 64.21 60.94 1ijq n SER 627 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ijq n PRO 628 N -3.36 1.99 0.18 1.43 -0.04 -1.26 -4.35 135.00 129.59 1ijq n PRO 628 Ca -0.18 -2.41 0.12 0.00 -0.04 0.00 0.00 63.50 61.00 1ijq n PRO 628 Cb 0.61 -3.36 0.15 0.00 -0.04 0.00 0.00 33.50 30.87 1ijq n PRO 628 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ijq h GLU 629 N 8.25 0.00 -3.00 0.54 5.08 -1.87 -3.42 114.58 120.16 1ijq h GLU 629 Ca 0.37 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.61 1ijq h GLU 629 Cb 0.80 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.83 1ijq h GLU 629 CO 1.60 0.00 -0.29 0.34 -1.00 0.00 0.00 179.01 179.67 1ijq s ASP 630 N -5.78 -0.23 -0.12 1.42 2.15 -1.26 -4.26 116.67 108.59 1ijq s ASP 630 Ca 0.05 0.24 -0.19 0.00 0.43 0.00 0.00 52.55 53.09 1ijq s ASP 630 Cb 0.07 0.41 0.05 0.00 -0.30 0.00 0.00 42.92 43.15 1ijq s ASP 630 CO 0.70 -0.36 0.47 -0.32 -0.17 0.00 0.00 175.17 175.49 1ijq s MET 631 N -0.94 0.67 0.10 4.34 -2.45 -1.26 -0.83 119.30 118.93 1ijq s MET 631 Ca -0.10 0.41 0.03 0.00 -1.25 0.00 0.00 55.69 54.78 1ijq s MET 631 Cb -0.04 0.32 -0.04 0.00 1.25 0.00 0.00 34.83 36.31 1ijq s MET 631 CO 0.03 -0.13 -0.09 0.14 1.05 0.00 0.00 175.02 176.01 1ijq s VAL 632 N -0.34 0.91 -0.22 10.11 -7.23 -0.06 -4.62 120.40 118.96 1ijq s VAL 632 Ca -0.05 -1.71 -0.17 0.00 -1.81 0.00 0.00 61.98 58.24 1ijq s VAL 632 Cb -0.03 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.44 1ijq s VAL 632 CO 0.03 -0.62 0.48 -0.22 -0.31 0.00 0.00 175.10 174.46 1ijq s LEU 633 N -2.58 4.12 -0.39 1.32 1.98 -1.26 -1.06 118.68 120.80 1ijq s LEU 633 Ca 0.07 0.58 -0.10 0.00 -2.89 0.00 0.00 54.13 51.78 1ijq s LEU 633 Cb -0.01 -2.64 0.05 0.00 0.66 0.00 0.00 46.19 44.25 1ijq s LEU 633 CO -0.01 -0.18 0.23 0.12 -1.89 0.00 0.00 176.35 174.62 1ijq s PHE 634 N 1.75 3.27 -0.24 5.38 5.36 0.71 -4.92 117.98 129.30 1ijq s PHE 634 Ca 0.22 -1.17 -0.27 0.00 -0.96 0.00 0.00 56.93 54.75 1ijq s PHE 634 Cb -0.15 -2.64 0.12 0.00 -0.34 0.00 0.00 43.02 40.01 1ijq s PHE 634 CO 0.09 -0.73 1.02 -1.58 -1.46 0.00 0.00 175.22 172.56 1ijq s HIS 635 N 1.51 -0.44 0.53 10.12 2.46 -1.26 -1.96 115.29 126.24 1ijq s HIS 635 Ca 0.02 0.99 0.22 0.00 0.47 0.00 0.00 55.06 56.76 1ijq s HIS 635 Cb -0.21 0.39 1.36 0.00 -0.13 0.00 0.00 32.58 33.99 1ijq s HIS 635 CO 0.05 -0.27 2.07 -0.91 -2.47 0.00 0.00 174.74 173.21 1ijq h ASN 636 N 3.67 0.00 0.14 9.88 4.21 -1.94 -1.84 115.58 129.71 1ijq h ASN 636 Ca -0.25 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.25 1ijq h ASN 636 Cb 1.17 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.37 1ijq h ASN 636 CO 0.17 0.00 -0.05 -0.07 -1.29 0.00 0.00 177.43 176.20 1ijq h LEU 637 N 0.00 0.00 -1.14 1.61 3.38 -1.99 -2.09 115.31 115.07 1ijq h LEU 637 Ca 0.14 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1ijq h LEU 637 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1ijq h LEU 637 CO -0.00 0.05 -0.29 0.71 0.09 0.00 0.00 178.44 179.00 1ijq h THR 638 N 0.00 0.74 -2.99 0.22 1.35 -1.68 -3.37 112.91 107.18 1ijq h THR 638 Ca -0.00 -1.23 -0.62 0.00 -0.55 0.00 0.00 66.41 64.01 1ijq h THR 638 Cb 0.13 1.78 -0.41 0.00 -1.73 0.00 0.00 68.15 67.92 1ijq h THR 638 CO 0.01 0.28 -0.62 -1.10 -0.25 0.00 0.00 175.52 173.83 1ijq s GLN 639 N -3.73 2.27 0.71 4.72 -0.21 -0.79 -4.84 119.66 117.79 1ijq s GLN 639 Ca -0.00 -3.20 -0.16 0.00 0.02 0.00 0.00 55.36 52.02 1ijq s GLN 639 Cb 0.11 -3.17 0.02 0.00 1.00 0.00 0.00 33.01 30.97 1ijq s GLN 639 CO 0.66 -1.30 1.21 -0.35 -2.12 0.00 0.00 175.29 173.39 1ijq n PRO 640 N 2.08 0.73 -1.88 2.91 -0.04 -1.26 -4.97 135.00 132.56 1ijq n PRO 640 Ca 0.21 0.31 -0.35 0.00 -0.04 0.00 0.00 63.50 63.63 1ijq n PRO 640 Cb 0.37 -2.45 0.05 0.00 -0.04 0.00 0.00 33.50 31.42 1ijq n PRO 640 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1ijq s ARG 641 N -3.59 2.81 0.23 0.54 1.81 -1.26 -4.97 118.95 114.52 1ijq s ARG 641 Ca 0.78 1.75 -0.22 0.00 -1.72 0.00 0.00 55.73 56.33 1ijq s ARG 641 Cb -0.35 -1.92 0.06 0.00 -0.45 0.00 0.00 34.95 32.29 1ijq s ARG 641 CO 0.45 -1.32 0.91 0.20 -0.68 0.00 0.00 175.30 174.86 1ijq s GLY 642 N -1.80 0.00 0.02 -3.53 0.00 -1.26 -5.04 107.32 95.71 1ijq s GLY 642 Ca 0.75 -0.24 -0.29 0.00 0.00 0.00 0.00 44.72 44.94 1ijq s GLY 642 CO 0.36 0.54 0.94 0.14 0.00 0.00 0.00 173.10 175.08 1ijq s VAL 643 N -2.91 4.80 -0.55 1.40 1.01 -1.26 -5.00 120.40 117.88 1ijq s VAL 643 Ca 0.15 1.99 -0.24 0.00 0.00 0.00 0.00 61.98 63.88 1ijq s VAL 643 Cb -0.03 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 32.10 1ijq s VAL 643 CO 0.06 0.21 0.94 0.21 0.00 0.00 0.00 175.10 176.52 1ijq s ASN 644 N 0.72 6.33 0.44 3.32 3.84 -1.26 -4.90 114.94 123.43 1ijq s ASN 644 Ca 0.49 -0.39 0.23 0.00 0.21 0.00 0.00 52.86 53.40 1ijq s ASN 644 Cb -0.21 -2.43 0.94 0.00 -0.55 0.00 0.00 41.25 39.00 1ijq s ASN 644 CO 0.27 -1.23 1.84 -0.50 -2.79 0.00 0.00 177.10 174.69 1ijq h TRP 645 N 9.32 0.00 0.00 0.43 4.06 -1.92 -1.27 115.95 126.56 1ijq h TRP 645 Ca -0.26 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.60 1ijq h TRP 645 Cb 1.07 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 1ijq h TRP 645 CO 0.91 0.24 -0.43 0.00 -3.56 0.00 0.00 178.44 175.61 1ijq n GLU 647 N -3.25 0.91 -0.25 0.00 -0.58 -1.04 -0.93 120.64 115.52 1ijq n GLU 647 Ca 0.02 -2.40 -0.02 0.00 -0.42 0.00 0.00 57.16 54.34 1ijq n GLU 647 Cb 0.68 -1.09 0.16 0.00 -0.57 0.00 0.00 31.44 30.62 1ijq n GLU 647 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1ijq h ARG 648 N 0.47 1.07 0.00 3.49 2.43 -1.36 -3.44 114.38 117.03 1ijq h ARG 648 Ca -0.04 -0.13 -0.41 0.00 -0.81 0.00 0.00 59.98 58.59 1ijq h ARG 648 Cb 1.23 -0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 30.51 1ijq h ARG 648 CO 0.02 0.79 -0.26 0.25 -1.51 0.00 0.00 179.97 179.26 1ijq n THR 649 N -4.35 0.00 0.37 0.20 -2.24 -1.26 -5.02 114.28 101.98 1ijq n THR 649 Ca 0.08 -1.52 0.11 0.00 -2.27 0.00 0.00 64.05 60.45 1ijq n THR 649 Cb 0.11 0.09 0.47 0.00 -2.10 0.00 0.00 70.33 68.89 1ijq n THR 649 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ijq n THR 650 N -1.07 0.91 -2.13 4.28 -2.24 -1.26 -4.58 114.28 108.19 1ijq n THR 650 Ca -0.08 0.30 -0.43 0.00 -2.27 0.00 0.00 64.05 61.57 1ijq n THR 650 Cb 0.42 -1.22 -0.03 0.00 -2.10 0.00 0.00 70.33 67.41 1ijq n THR 650 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ijq s LEU 651 N -4.24 4.02 0.14 3.22 2.96 -1.26 -4.96 118.68 118.56 1ijq s LEU 651 Ca 0.04 1.75 -0.31 0.00 -0.22 0.00 0.00 54.13 55.39 1ijq s LEU 651 Cb 0.09 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 43.17 1ijq s LEU 651 CO 0.34 -1.13 1.32 -0.55 -1.32 0.00 0.00 176.35 175.02 1ijq s SER 652 N 3.76 6.90 -1.46 3.68 0.15 -1.26 -3.97 113.70 121.50 1ijq s SER 652 Ca 0.70 2.30 -0.11 0.00 0.70 0.00 0.00 55.95 59.54 1ijq s SER 652 Cb -0.26 -2.59 0.05 0.00 -1.71 0.00 0.00 66.02 61.50 1ijq s SER 652 CO 0.27 -0.57 0.98 -3.20 1.20 0.00 0.00 173.24 171.92 1ijq n ASN 653 N 3.43 -5.49 0.00 5.45 5.15 -0.95 -1.26 115.26 121.58 1ijq n ASN 653 Ca 0.09 -0.60 0.00 0.00 -0.60 0.00 0.00 54.58 53.47 1ijq n ASN 653 Cb 0.43 -4.37 0.00 0.00 -0.53 0.00 0.00 39.78 35.31 1ijq n ASN 653 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ijq n GLY 654 N -1.75 0.14 2.31 8.20 0.00 -0.10 -1.15 105.19 112.84 1ijq n GLY 654 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ijq n GLY 654 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ijq n GLY 655 N -0.34 0.67 3.78 -0.02 0.00 -0.39 -5.02 105.19 103.86 1ijq n GLY 655 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1ijq n GLY 655 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ijq h GLN 657 N 3.12 0.81 0.00 0.00 4.15 -1.62 -3.45 115.11 118.12 1ijq h GLN 657 Ca -0.47 -0.54 0.00 0.00 0.77 0.00 0.00 58.65 58.41 1ijq h GLN 657 Cb 1.20 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.97 1ijq h GLN 657 CO 0.65 1.17 0.00 0.98 -1.93 0.00 0.00 178.83 179.69 1ijq n TYR 658 N -3.98 0.00 -4.01 3.99 9.36 -1.26 -5.06 117.16 116.19 1ijq n TYR 658 Ca -0.05 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 60.86 1ijq n TYR 658 Cb 0.65 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.30 1ijq n TYR 658 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1ijq s LEU 659 N 0.00 4.00 -0.20 2.98 1.43 -0.71 -4.97 118.68 121.22 1ijq s LEU 659 Ca 0.00 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 1ijq s LEU 659 Cb 0.00 -2.59 0.03 0.00 0.03 0.00 0.00 46.19 43.66 1ijq s LEU 659 CO 0.00 0.19 -0.17 0.00 0.23 0.00 0.00 176.35 176.60 1ijq s LEU 661 N 1.26 2.12 0.46 0.00 1.43 -0.35 -4.98 118.68 118.63 1ijq s LEU 661 Ca 0.01 -0.45 -0.24 0.00 -1.03 0.00 0.00 54.13 52.42 1ijq s LEU 661 Cb -0.15 -0.96 -0.07 0.00 0.03 0.00 0.00 46.19 45.04 1ijq s LEU 661 CO -0.11 0.18 1.32 -2.16 0.23 0.00 0.00 176.35 175.82 1ijq s PRO 662 N -0.90 3.65 0.14 1.29 0.04 -1.26 -1.17 135.00 136.80 1ijq s PRO 662 Ca 0.07 2.18 0.05 0.00 0.04 0.00 0.00 61.00 63.34 1ijq s PRO 662 Cb -0.08 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 1ijq s PRO 662 CO 0.01 -0.76 0.05 0.00 0.04 0.00 0.00 177.00 176.34 1ijq s ALA 663 N -1.30 3.39 0.30 8.56 0.00 -0.54 -2.01 121.76 130.16 1ijq s ALA 663 Ca 0.63 -1.22 -0.29 0.00 0.00 0.00 0.00 51.96 51.08 1ijq s ALA 663 Cb -0.38 -1.22 -0.10 0.00 0.00 0.00 0.00 23.12 21.42 1ijq s ALA 663 CO 0.48 0.57 1.29 -1.25 0.00 0.00 0.00 175.76 176.85 1ijq s PRO 664 N -2.78 4.40 -0.49 0.00 0.04 -1.18 -4.22 135.00 130.77 1ijq s PRO 664 Ca 0.28 2.13 -0.18 0.00 0.04 0.00 0.00 61.00 63.28 1ijq s PRO 664 Cb -0.10 -3.11 0.06 0.00 0.04 0.00 0.00 34.50 31.38 1ijq s PRO 664 CO 0.20 -0.16 0.55 -0.65 0.04 0.00 0.00 177.00 176.99 1ijq s GLN 665 N -1.35 3.09 -0.14 4.56 -1.52 0.29 -4.76 119.66 119.83 1ijq s GLN 665 Ca 0.50 -0.98 0.03 0.00 -1.95 0.00 0.00 55.36 52.96 1ijq s GLN 665 Cb -0.38 -4.09 -0.10 0.00 -0.22 0.00 0.00 33.01 28.22 1ijq s GLN 665 CO 0.48 -1.13 -0.10 -0.89 -0.25 0.00 0.00 175.29 173.41 1ijq n ILE 666 N 5.50 0.81 -4.11 1.08 5.41 -1.26 -5.01 119.36 121.78 1ijq n ILE 666 Ca -0.08 -0.34 -0.15 0.00 1.00 0.00 0.00 62.75 63.17 1ijq n ILE 666 Cb 0.45 -0.95 -0.04 0.00 -0.71 0.00 0.00 39.64 38.39 1ijq n ILE 666 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1ijq s ASN 667 N -5.20 1.03 0.62 4.38 2.20 -1.26 -5.04 114.94 111.68 1ijq s ASN 667 Ca -0.17 -1.53 0.36 0.00 -0.94 0.00 0.00 52.86 50.58 1ijq s ASN 667 Cb 0.05 0.66 2.06 0.00 -2.00 0.00 0.00 41.25 42.02 1ijq s ASN 667 CO 0.35 -1.28 2.30 -0.65 -2.94 0.00 0.00 177.10 174.88 1ijq h PRO 668 N 2.10 0.00 -0.02 3.55 0.11 -2.02 -1.89 132.00 133.84 1ijq h PRO 668 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1ijq h PRO 668 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1ijq h PRO 668 CO 0.38 0.00 -0.06 0.72 -0.21 0.00 0.00 178.00 178.84 1ijq n HIS 669 N -3.53 0.00 -1.72 0.65 8.25 -1.26 -4.94 115.22 112.66 1ijq n HIS 669 Ca -0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 1ijq n HIS 669 Cb 0.08 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 1ijq n HIS 669 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ijq n SER 670 N 0.26 3.74 -4.73 0.41 7.64 -0.71 -4.95 113.62 115.28 1ijq n SER 670 Ca 0.17 1.12 -0.35 0.00 1.01 0.00 0.00 58.87 60.81 1ijq n SER 670 Cb 0.40 -1.56 0.08 0.00 -1.01 0.00 0.00 64.21 62.12 1ijq n SER 670 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1ijq s PRO 671 N 0.10 2.40 0.17 1.43 0.02 -1.26 -4.94 135.00 132.91 1ijq s PRO 671 Ca 0.69 1.84 0.21 0.00 0.02 0.00 0.00 61.00 63.76 1ijq s PRO 671 Cb -0.53 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.10 1ijq s PRO 671 CO 0.43 -1.65 0.98 1.63 -0.33 0.00 0.00 177.00 178.06 1ijq n LYS 672 N -2.31 0.61 -3.74 5.54 4.76 -1.26 -4.54 118.16 117.22 1ijq n LYS 672 Ca 0.14 0.14 -0.09 0.00 -2.87 0.00 0.00 58.31 55.63 1ijq n LYS 672 Cb 0.50 -1.82 -0.04 0.00 -1.84 0.00 0.00 35.03 31.83 1ijq n LYS 672 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 1ijq s PHE 673 N -3.26 -0.14 0.05 2.13 -0.12 -1.26 -1.46 117.98 113.92 1ijq s PHE 673 Ca -0.01 -0.21 -0.01 0.00 -0.05 0.00 0.00 56.93 56.65 1ijq s PHE 673 Cb 0.09 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 1ijq s PHE 673 CO 0.80 -0.95 -0.03 0.95 -0.05 0.00 0.00 175.22 175.94 1ijq s THR 674 N -3.87 0.25 0.16 -4.49 -4.23 -0.32 -4.79 115.64 98.36 1ijq s THR 674 Ca 0.09 -1.81 -0.15 0.00 -1.18 0.00 0.00 61.69 58.65 1ijq s THR 674 Cb -0.01 -1.52 -0.07 0.00 1.34 0.00 0.00 72.50 72.24 1ijq s THR 674 CO -0.02 -0.99 0.58 0.00 -0.54 0.00 0.00 174.62 173.65 1ijq s ALA 676 N -1.49 0.99 0.32 0.00 0.00 0.88 -4.94 121.76 117.51 1ijq s ALA 676 Ca 0.39 -1.36 0.09 0.00 0.00 0.00 0.00 51.96 51.08 1ijq s ALA 676 Cb -0.15 0.17 -0.06 0.00 0.00 0.00 0.00 23.12 23.08 1ijq s ALA 676 CO 0.19 -0.24 -0.10 0.00 0.00 0.00 0.00 175.76 175.62 1ijq n PRO 678 N -0.71 0.29 -1.63 0.00 -0.02 -1.26 -4.87 135.00 126.80 1ijq n PRO 678 Ca -0.05 0.17 -0.46 0.00 -2.02 0.00 0.00 63.50 61.14 1ijq n PRO 678 Cb 0.63 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1ijq n PRO 678 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ijq n ASP 679 N -3.15 2.06 0.00 2.55 8.00 -1.26 -1.44 116.55 123.32 1ijq n ASP 679 Ca 0.14 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.78 1ijq n ASP 679 Cb 0.50 -1.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 1ijq n ASP 679 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ijq n GLY 680 N 2.02 2.38 3.84 0.44 0.00 -1.26 -5.03 105.19 107.58 1ijq n GLY 680 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1ijq n GLY 680 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ijq s MET 681 N -0.54 3.02 0.12 1.61 -1.94 -0.52 -4.90 119.30 116.15 1ijq s MET 681 Ca 0.00 -0.95 0.09 0.00 -1.71 0.00 0.00 55.69 53.12 1ijq s MET 681 Cb 0.00 -2.65 -0.04 0.00 2.01 0.00 0.00 34.83 34.15 1ijq s MET 681 CO 0.00 0.43 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.78 1ijq s LEU 682 N -3.66 2.80 -0.03 -0.03 1.43 -0.36 -4.78 118.68 114.05 1ijq s LEU 682 Ca 0.33 -0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 52.60 1ijq s LEU 682 Cb -0.09 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 1ijq s LEU 682 CO 0.25 0.17 1.09 -0.22 0.23 0.00 0.00 176.35 177.87 1ijq s LEU 683 N -2.25 4.31 0.95 1.79 2.96 -1.26 -1.17 118.68 124.01 1ijq s LEU 683 Ca 0.20 1.74 -0.12 0.00 -0.22 0.00 0.00 54.13 55.72 1ijq s LEU 683 Cb -0.10 -3.56 0.16 0.00 0.50 0.00 0.00 46.19 43.18 1ijq s LEU 683 CO 0.11 -0.44 1.09 0.00 -1.32 0.00 0.00 176.35 175.79 1ijq s ALA 684 N 1.63 1.21 0.34 5.97 0.00 0.32 -4.91 121.76 126.32 1ijq s ALA 684 Ca 0.53 -0.13 0.38 0.00 0.00 0.00 0.00 51.96 52.74 1ijq s ALA 684 Cb -0.23 -3.18 1.88 0.00 0.00 0.00 0.00 23.12 21.58 1ijq s ALA 684 CO 0.24 -2.63 2.15 0.00 0.00 0.00 0.00 175.76 175.52 1ijq h ARG 685 N -1.75 0.00 0.00 0.00 3.08 -1.95 -0.84 114.38 112.92 1ijq h ARG 685 Ca -0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1ijq h ARG 685 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1ijq h ARG 685 CO 0.55 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 179.05 1ijq n ASP 686 N -3.00 0.00 -0.18 7.04 5.75 -1.26 -4.88 116.55 120.02 1ijq n ASP 686 Ca -0.01 0.15 -0.02 0.00 -0.01 0.00 0.00 54.79 54.90 1ijq n ASP 686 Cb 0.17 -0.35 -0.01 0.00 -1.03 0.00 0.00 41.12 39.90 1ijq n ASP 686 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1ijq n MET 687 N -1.35 -0.83 0.00 0.11 2.81 -0.32 -4.74 117.12 112.80 1ijq n MET 687 Ca 0.08 0.37 0.00 0.00 -1.81 0.00 0.00 57.70 56.34 1ijq n MET 687 Cb 0.17 -4.10 0.00 0.00 -0.71 0.00 0.00 33.22 28.59 1ijq n MET 687 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1ijq n ARG 688 N -1.59 0.23 -2.63 0.03 1.74 -1.26 -4.34 116.66 108.84 1ijq n ARG 688 Ca -0.02 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.80 1ijq n ARG 688 Cb 0.24 -0.66 0.02 0.00 -1.02 0.00 0.00 32.46 31.04 1ijq n ARG 688 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1ijq s SER 689 N -3.02 5.85 -0.07 0.55 0.01 -1.26 -1.63 113.70 114.13 1ijq s SER 689 Ca 0.00 0.66 0.04 0.00 1.31 0.00 0.00 55.95 57.96 1ijq s SER 689 Cb 0.00 -1.82 -0.01 0.00 0.21 0.00 0.00 66.02 64.39 1ijq s SER 689 CO 0.00 -0.82 -0.20 0.00 0.41 0.00 0.00 173.24 172.63 1ijq s LEU 691 N -0.15 2.34 0.00 0.00 1.43 -0.32 -4.92 118.68 117.05 1ijq s LEU 691 Ca -0.02 -0.72 0.30 0.00 -1.03 0.00 0.00 54.13 52.66 1ijq s LEU 691 Cb -0.14 -0.70 1.57 0.00 0.03 0.00 0.00 46.19 46.95 1ijq s LEU 691 CO 0.04 -0.04 2.04 0.35 0.23 0.00 0.00 176.35 178.97