#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckr n GLU 384 N 0.00 1.12 -3.33 1.43 0.00 -1.26 -4.86 120.64 113.75 1ckr n GLU 384 Ca 0.00 -0.64 -0.46 0.00 0.00 0.00 0.00 57.16 56.06 1ckr n GLU 384 Cb 0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 31.44 29.57 1ckr n GLU 384 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1ckr s ASN 385 N 2.73 7.16 -0.01 -1.84 -0.87 -1.26 -5.04 114.94 115.81 1ckr s ASN 385 Ca 0.33 -3.32 -0.30 0.00 -1.57 0.00 0.00 52.86 48.00 1ckr s ASN 385 Cb 0.14 -2.22 -0.05 0.00 -0.02 0.00 0.00 41.25 39.10 1ckr s ASN 385 CO -0.01 -0.38 1.43 0.68 -2.57 0.00 0.00 177.10 176.26 1ckr s VAL 386 N -0.77 3.68 -0.24 1.60 -7.23 -1.26 -5.01 120.40 111.16 1ckr s VAL 386 Ca 0.27 1.04 -0.03 0.00 -1.81 0.00 0.00 61.98 61.45 1ckr s VAL 386 Cb -0.10 -3.67 0.13 0.00 0.56 0.00 0.00 36.38 33.31 1ckr s VAL 386 CO -0.08 -0.02 0.39 0.00 -0.31 0.00 0.00 175.10 175.09 1ckr s GLN 387 N 2.62 0.36 -1.24 4.82 -2.07 -1.26 -5.10 119.66 117.79 1ckr s GLN 387 Ca 0.65 0.60 -0.17 0.00 -1.82 0.00 0.00 55.36 54.61 1ckr s GLN 387 Cb -0.32 -0.36 0.10 0.00 -1.09 0.00 0.00 33.01 31.34 1ckr s GLN 387 CO 0.26 -0.62 1.61 -0.51 -1.32 0.00 0.00 175.29 174.72 1ckr s ASP 388 N 2.57 6.87 -1.26 12.60 1.01 -1.26 -4.93 116.67 132.27 1ckr s ASP 388 Ca 0.12 -2.52 -0.13 0.00 0.71 0.00 0.00 52.55 50.73 1ckr s ASP 388 Cb -0.15 -2.52 0.15 0.00 1.01 0.00 0.00 42.92 41.40 1ckr s ASP 388 CO -0.16 -1.07 1.63 0.18 0.21 0.00 0.00 175.17 175.96 1ckr n LEU 389 N 7.60 5.60 -4.46 1.23 4.77 -1.26 -4.95 117.00 125.53 1ckr n LEU 389 Ca 0.43 -4.39 -0.44 0.00 -0.03 0.00 0.00 56.01 51.58 1ckr n LEU 389 Cb 0.46 -1.61 -0.02 0.00 -2.33 0.00 0.00 43.42 39.91 1ckr n LEU 389 CO 0.71 0.80 1.09 -0.76 -1.33 0.00 0.00 177.39 177.91 1ckr s LEU 390 N 1.66 4.96 -1.10 2.23 2.01 -1.26 -4.97 118.68 122.21 1ckr s LEU 390 Ca 0.44 -2.19 -0.19 0.00 0.01 0.00 0.00 54.13 52.20 1ckr s LEU 390 Cb 0.02 -2.41 0.10 0.00 0.01 0.00 0.00 46.19 43.91 1ckr s LEU 390 CO 0.01 -1.03 1.44 -0.76 1.01 0.00 0.00 176.35 177.02 1ckr s LEU 391 N 2.61 4.26 -0.00 1.79 2.01 -1.26 -4.96 118.68 123.13 1ckr s LEU 391 Ca 0.35 -2.13 0.00 0.00 0.01 0.00 0.00 54.13 52.37 1ckr s LEU 391 Cb -0.04 -2.50 0.00 0.00 0.01 0.00 0.00 46.19 43.67 1ckr s LEU 391 CO -0.08 -1.17 0.00 -0.76 1.01 0.00 0.00 176.35 175.35 1ckr s LEU 392 N 3.59 1.85 -1.30 1.79 1.43 -1.26 -5.08 118.68 119.70 1ckr s LEU 392 Ca 0.44 -0.00 -0.13 0.00 -1.03 0.00 0.00 54.13 53.41 1ckr s LEU 392 Cb -0.01 -0.03 0.13 0.00 0.03 0.00 0.00 46.19 46.30 1ckr s LEU 392 CO -0.04 -0.02 1.78 0.47 0.23 0.00 0.00 176.35 178.78 1ckr n ASP 393 N 3.25 4.88 -4.88 2.29 8.00 -1.26 -5.00 116.55 123.84 1ckr n ASP 393 Ca -0.15 -2.98 -0.37 0.00 0.71 0.00 0.00 54.79 52.00 1ckr n ASP 393 Cb 0.58 -1.59 -0.06 0.00 -0.02 0.00 0.00 41.12 40.03 1ckr n ASP 393 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1ckr s VAL 394 N 1.99 5.46 0.02 2.53 -7.23 -1.26 -1.88 120.40 120.03 1ckr s VAL 394 Ca 0.45 0.27 -0.17 0.00 -1.81 0.00 0.00 61.98 60.71 1ckr s VAL 394 Cb 0.06 -3.43 -0.06 0.00 0.56 0.00 0.00 36.38 33.51 1ckr s VAL 394 CO 0.00 0.62 0.50 0.28 -0.31 0.00 0.00 175.10 176.18 1ckr s THR 395 N -1.04 4.92 0.47 5.32 -1.32 -0.60 -4.84 115.64 118.55 1ckr s THR 395 Ca 0.16 1.04 0.15 0.00 -1.21 0.00 0.00 61.69 61.83 1ckr s THR 395 Cb -0.12 -3.82 0.22 0.00 -1.51 0.00 0.00 72.50 67.27 1ckr s THR 395 CO 0.05 0.53 2.05 1.55 -2.21 0.00 0.00 174.62 176.59 1ckr h PRO 396 N 4.92 0.00 -6.22 7.08 0.13 -1.93 -2.54 132.00 133.44 1ckr h PRO 396 Ca -0.49 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.06 1ckr h PRO 396 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 1ckr h PRO 396 CO 0.64 0.11 -0.68 -1.17 -0.23 0.00 0.00 178.00 176.68 1ckr s LEU 397 N -8.74 3.02 -0.43 1.56 2.96 -1.26 -2.96 118.68 112.83 1ckr s LEU 397 Ca -0.04 -0.74 -0.23 0.00 -0.22 0.00 0.00 54.13 52.89 1ckr s LEU 397 Cb 0.16 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.32 1ckr s LEU 397 CO 0.68 0.02 0.77 -0.94 -1.32 0.00 0.00 176.35 175.56 1ckr s SER 398 N -3.58 6.43 -0.18 3.68 1.04 -1.21 -4.59 113.70 115.29 1ckr s SER 398 Ca 0.31 -0.03 -0.15 0.00 0.48 0.00 0.00 55.95 56.56 1ckr s SER 398 Cb -0.06 -2.38 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 1ckr s SER 398 CO 0.18 -0.87 0.36 -0.76 0.98 0.00 0.00 173.24 173.14 1ckr s LEU 399 N 3.22 4.20 0.00 2.42 1.43 -1.26 -3.37 118.68 125.32 1ckr s LEU 399 Ca 0.30 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 1ckr s LEU 399 Cb -0.12 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.63 1ckr s LEU 399 CO 0.21 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.41 1ckr n GLY 400 N 3.64 5.10 3.05 -3.19 0.00 -1.05 -4.37 105.19 108.38 1ckr n GLY 400 Ca -0.10 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 1ckr n GLY 400 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ckr s ILE 401 N 0.91 0.03 -0.32 -0.61 -4.36 -1.08 -1.77 121.20 113.99 1ckr s ILE 401 Ca 0.00 -0.21 -0.25 0.00 -0.26 0.00 0.00 60.65 59.93 1ckr s ILE 401 Cb 0.00 -0.28 0.01 0.00 1.25 0.00 0.00 42.46 43.44 1ckr s ILE 401 CO 0.00 -0.12 0.86 -0.70 0.24 0.00 0.00 174.94 175.22 1ckr s GLU 402 N -0.36 3.94 0.02 0.37 2.12 0.12 -2.36 118.70 122.56 1ckr s GLU 402 Ca -0.04 0.65 0.01 0.00 0.36 0.00 0.00 54.97 55.95 1ckr s GLU 402 Cb -0.03 -3.75 -0.02 0.00 0.26 0.00 0.00 34.13 30.59 1ckr s GLU 402 CO 0.01 -0.77 -0.04 0.95 -0.54 0.00 0.00 175.26 174.86 1ckr s THR 403 N 3.17 0.27 0.00 -1.70 -4.23 -0.62 -3.23 115.64 109.29 1ckr s THR 403 Ca 0.35 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1ckr s THR 403 Cb -0.13 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.35 1ckr s THR 403 CO 0.14 -0.35 0.00 0.00 -0.54 0.00 0.00 174.62 173.87 1ckr n ALA 404 N 1.83 0.00 0.32 3.99 0.00 -1.26 -2.10 120.51 123.30 1ckr n ALA 404 Ca -0.21 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.20 1ckr n ALA 404 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.02 1ckr n ALA 404 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ckr n GLY 405 N 0.00 2.43 3.09 0.00 0.00 -1.26 -4.69 105.19 104.75 1ckr n GLY 405 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 1ckr n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ckr n GLY 406 N 0.67 -1.24 3.19 -0.02 0.00 -0.89 -5.01 105.19 101.89 1ckr n GLY 406 Ca 0.06 0.50 -0.09 0.00 0.00 0.00 0.00 46.02 46.49 1ckr n GLY 406 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ckr s VAL 407 N -2.98 0.13 0.02 1.61 -7.23 -1.08 -3.37 120.40 107.50 1ckr s VAL 407 Ca 0.01 -1.63 -0.30 0.00 -1.81 0.00 0.00 61.98 58.25 1ckr s VAL 407 Cb -0.00 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 1ckr s VAL 407 CO 0.76 -0.58 1.01 -0.32 -0.31 0.00 0.00 175.10 175.66 1ckr s MET 408 N -3.97 4.56 -0.12 4.82 1.75 -1.20 -1.59 119.30 123.54 1ckr s MET 408 Ca 0.15 1.47 0.00 0.00 -1.25 0.00 0.00 55.69 56.06 1ckr s MET 408 Cb 0.06 -3.44 -0.02 0.00 2.84 0.00 0.00 34.83 34.28 1ckr s MET 408 CO -0.04 -0.05 -0.13 0.99 -0.65 0.00 0.00 175.02 175.14 1ckr s THR 409 N 0.91 3.06 -0.21 10.11 2.01 -1.00 -4.38 115.64 126.15 1ckr s THR 409 Ca 0.52 -0.66 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 1ckr s THR 409 Cb -0.22 -2.28 0.06 0.00 0.01 0.00 0.00 72.50 70.06 1ckr s THR 409 CO 0.28 0.53 -0.02 0.54 -0.69 0.00 0.00 174.62 175.26 1ckr s VAL 410 N 0.27 1.08 -0.20 3.82 0.11 -1.26 -2.63 120.40 121.59 1ckr s VAL 410 Ca -0.09 -0.89 0.18 0.00 -2.93 0.00 0.00 61.98 58.25 1ckr s VAL 410 Cb -0.16 -1.43 0.03 0.00 -1.53 0.00 0.00 36.38 33.30 1ckr s VAL 410 CO 0.05 -0.12 1.22 0.17 -3.33 0.00 0.00 175.10 173.10 1ckr h LEU 411 N 8.09 0.00 0.00 2.54 8.10 -1.98 -3.48 115.31 128.58 1ckr h LEU 411 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.81 1ckr h LEU 411 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.32 1ckr h LEU 411 CO 0.38 0.38 0.00 -0.38 -4.11 0.00 0.00 178.44 174.71 1ckr n ILE 412 N -3.03 0.00 -3.49 0.15 2.08 -1.26 -5.03 119.36 108.78 1ckr n ILE 412 Ca -0.01 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.19 1ckr n ILE 412 Cb 0.71 -1.83 -0.02 0.00 -0.75 0.00 0.00 39.64 37.74 1ckr n ILE 412 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 1ckr s LYS 413 N -0.58 1.20 0.27 0.38 0.00 -1.26 -4.92 119.74 114.83 1ckr s LYS 413 Ca 0.00 -0.48 -0.30 0.00 0.00 0.00 0.00 55.97 55.20 1ckr s LYS 413 Cb 0.00 0.53 -0.09 0.00 0.00 0.00 0.00 37.83 38.27 1ckr s LYS 413 CO 0.00 -0.53 1.09 0.50 0.00 0.00 0.00 175.35 176.41 1ckr s ARG 414 N -3.58 4.65 -1.20 1.78 3.52 -1.26 -3.34 118.95 119.51 1ckr s ARG 414 Ca 0.03 1.78 -0.07 0.00 -0.13 0.00 0.00 55.73 57.35 1ckr s ARG 414 Cb -0.01 -3.20 -0.02 0.00 -1.56 0.00 0.00 34.95 30.16 1ckr s ARG 414 CO -0.10 0.21 0.79 0.09 -0.81 0.00 0.00 175.30 175.49 1ckr n ASN 415 N 1.31 -3.47 -4.68 -2.12 3.02 -1.08 -4.98 115.26 103.26 1ckr n ASN 415 Ca -0.01 -0.83 -0.41 0.00 -0.03 0.00 0.00 54.58 53.31 1ckr n ASN 415 Cb 0.45 -4.22 -0.05 0.00 -0.61 0.00 0.00 39.78 35.35 1ckr n ASN 415 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1ckr s THR 416 N -3.54 4.97 -0.93 3.41 -1.32 -0.98 -4.82 115.64 112.43 1ckr s THR 416 Ca 0.22 1.48 -0.24 0.00 -1.21 0.00 0.00 61.69 61.94 1ckr s THR 416 Cb -0.06 -4.07 -0.05 0.00 -1.51 0.00 0.00 72.50 66.81 1ckr s THR 416 CO 0.80 0.13 1.95 -0.89 -2.21 0.00 0.00 174.62 174.40 1ckr s THR 417 N 1.60 3.46 0.39 5.08 2.01 -1.26 -1.56 115.64 125.35 1ckr s THR 417 Ca 0.36 -0.43 -0.16 0.00 0.31 0.00 0.00 61.69 61.78 1ckr s THR 417 Cb -0.17 -4.06 -0.09 0.00 0.01 0.00 0.00 72.50 68.19 1ckr s THR 417 CO 0.14 -0.95 0.82 0.27 -0.69 0.00 0.00 174.62 174.22 1ckr s ILE 418 N 10.23 4.62 0.48 1.82 -4.36 -0.79 -4.43 121.20 128.76 1ckr s ILE 418 Ca 0.70 1.04 -0.23 0.00 -0.26 0.00 0.00 60.65 61.90 1ckr s ILE 418 Cb -0.06 -3.64 -0.07 0.00 1.25 0.00 0.00 42.46 39.94 1ckr s ILE 418 CO 0.01 -0.34 1.23 -2.16 0.24 0.00 0.00 174.94 173.92 1ckr s PRO 419 N -3.33 3.62 -0.14 0.37 0.04 -1.26 -4.62 135.00 129.67 1ckr s PRO 419 Ca 0.56 1.94 -0.07 0.00 0.04 0.00 0.00 61.00 63.47 1ckr s PRO 419 Cb -0.10 -2.41 0.06 0.00 0.04 0.00 0.00 34.50 32.09 1ckr s PRO 419 CO 0.21 -0.71 0.34 -0.08 0.04 0.00 0.00 177.00 176.79 1ckr s THR 420 N -1.44 -0.12 -0.61 1.26 -1.32 -0.90 -4.96 115.64 107.54 1ckr s THR 420 Ca 0.65 0.14 -0.11 0.00 -1.21 0.00 0.00 61.69 61.16 1ckr s THR 420 Cb -0.33 -0.51 0.16 0.00 -1.51 0.00 0.00 72.50 70.30 1ckr s THR 420 CO 0.40 0.06 0.51 -0.75 -2.21 0.00 0.00 174.62 172.63 1ckr s LYS 421 N 1.55 2.91 -0.24 7.08 2.20 -1.25 -0.88 119.74 131.11 1ckr s LYS 421 Ca -0.08 -2.07 -0.07 0.00 -0.36 0.00 0.00 55.97 53.39 1ckr s LYS 421 Cb -0.10 -4.12 -0.03 0.00 -1.51 0.00 0.00 37.83 32.08 1ckr s LYS 421 CO -0.11 -1.25 0.07 -0.65 -0.36 0.00 0.00 175.35 173.05 1ckr s GLN 422 N 0.85 3.68 -0.50 4.03 -0.21 -0.45 -4.93 119.66 122.14 1ckr s GLN 422 Ca 0.10 -0.47 -0.15 0.00 0.02 0.00 0.00 55.36 54.87 1ckr s GLN 422 Cb -0.22 -3.31 0.10 0.00 1.00 0.00 0.00 33.01 30.58 1ckr s GLN 422 CO -0.03 -0.15 0.43 0.95 -2.12 0.00 0.00 175.29 174.37 1ckr s THR 423 N 1.50 5.11 -0.37 -0.19 -4.23 -1.26 -0.75 115.64 115.45 1ckr s THR 423 Ca 0.06 -1.30 -0.11 0.00 -1.18 0.00 0.00 61.69 59.16 1ckr s THR 423 Cb -0.15 -4.16 0.03 0.00 1.34 0.00 0.00 72.50 69.56 1ckr s THR 423 CO 0.04 -0.70 0.20 -1.58 -0.54 0.00 0.00 174.62 172.04 1ckr s GLN 424 N 1.60 2.85 -0.05 3.99 2.00 -1.04 -4.98 119.66 124.02 1ckr s GLN 424 Ca 0.04 -1.06 -0.24 0.00 -2.00 0.00 0.00 55.36 52.09 1ckr s GLN 424 Cb -0.27 -3.71 -0.04 0.00 0.80 0.00 0.00 33.01 29.79 1ckr s GLN 424 CO 0.05 -0.68 0.73 0.99 -0.50 0.00 0.00 175.29 175.87 1ckr s THR 425 N 1.55 5.00 0.37 -0.34 2.01 -1.26 -0.99 115.64 121.99 1ckr s THR 425 Ca 0.02 1.51 0.08 0.00 0.31 0.00 0.00 61.69 63.61 1ckr s THR 425 Cb -0.19 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 1ckr s THR 425 CO 0.06 0.26 0.15 -0.36 -0.69 0.00 0.00 174.62 174.04 1ckr s PHE 426 N 0.73 2.64 0.00 4.92 0.08 0.62 -4.98 117.98 121.99 1ckr s PHE 426 Ca 0.39 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.96 1ckr s PHE 426 Cb -0.18 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.48 1ckr s PHE 426 CO 0.19 0.27 0.00 -2.37 -0.10 0.00 0.00 175.22 173.21 1ckr n THR 427 N -1.18 0.00 -4.56 0.64 5.66 -1.26 -0.62 114.28 112.96 1ckr n THR 427 Ca -0.02 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.74 1ckr n THR 427 Cb 0.63 -0.41 -0.14 0.00 -1.55 0.00 0.00 70.33 68.85 1ckr n THR 427 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ckr s THR 428 N 1.95 1.47 -0.06 1.09 -4.23 -0.71 -4.00 115.64 111.15 1ckr s THR 428 Ca 0.00 -1.10 -0.18 0.00 -1.18 0.00 0.00 61.69 59.23 1ckr s THR 428 Cb 0.00 -1.29 -0.30 0.00 1.34 0.00 0.00 72.50 72.25 1ckr s THR 428 CO 0.00 0.15 0.75 0.22 -0.54 0.00 0.00 174.62 175.21 1ckr h TYR 429 N 4.94 0.59 -3.38 3.99 3.20 -1.94 -2.82 116.97 121.55 1ckr h TYR 429 Ca -0.41 -0.43 -0.41 0.00 3.14 0.00 0.00 58.73 60.62 1ckr h TYR 429 Cb 1.17 -0.02 0.20 0.00 1.54 0.00 0.00 36.73 39.61 1ckr h TYR 429 CO 0.50 1.48 0.05 -1.12 -1.64 0.00 0.00 178.16 177.43 1ckr s SER 430 N -7.12 0.60 0.00 -2.11 0.01 -1.26 -4.66 113.70 99.16 1ckr s SER 430 Ca -0.16 0.92 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1ckr s SER 430 Cb 0.03 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 64.90 1ckr s SER 430 CO 0.82 -4.35 0.06 -0.67 0.41 0.00 0.00 173.24 169.51 1ckr n ASP 431 N -4.96 0.00 -4.44 2.44 2.03 -1.26 -4.09 116.55 106.27 1ckr n ASP 431 Ca 0.10 0.06 -0.43 0.00 0.52 0.00 0.00 54.79 55.04 1ckr n ASP 431 Cb 0.58 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.88 1ckr n ASP 431 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ckr s ASN 432 N -1.50 6.04 -0.26 1.67 2.20 -1.20 -3.60 114.94 118.29 1ckr s ASN 432 Ca 0.00 -0.92 -0.09 0.00 -0.94 0.00 0.00 52.86 50.91 1ckr s ASN 432 Cb 0.00 -2.14 0.01 0.00 -2.00 0.00 0.00 41.25 37.13 1ckr s ASN 432 CO 0.00 -0.44 0.33 1.67 -2.94 0.00 0.00 177.10 175.72 1ckr n GLN 433 N 5.13 -1.60 0.00 3.55 7.27 -1.26 -4.85 117.38 125.62 1ckr n GLN 433 Ca -0.11 1.59 0.00 0.00 0.07 0.00 0.00 57.00 58.54 1ckr n GLN 433 Cb 0.47 -4.10 0.00 0.00 2.41 0.00 0.00 30.24 29.02 1ckr n GLN 433 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1ckr n PRO 434 N -0.27 1.30 -3.22 3.69 -0.02 -1.26 -4.88 135.00 130.34 1ckr n PRO 434 Ca 0.07 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.58 1ckr n PRO 434 Cb 0.25 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.72 1ckr n PRO 434 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ckr s GLY 435 N -0.81 -0.72 -0.09 -1.23 0.00 -1.26 -4.21 107.32 98.99 1ckr s GLY 435 Ca 0.00 2.26 -0.05 0.00 0.00 0.00 0.00 44.72 46.92 1ckr s GLY 435 CO 0.00 3.46 0.13 -1.34 0.00 0.00 0.00 173.10 175.35 1ckr s VAL 436 N 2.86 5.35 -0.29 1.40 -7.23 -0.34 -4.92 120.40 117.22 1ckr s VAL 436 Ca 0.10 0.07 -0.15 0.00 -1.81 0.00 0.00 61.98 60.19 1ckr s VAL 436 Cb -0.13 -3.36 -0.03 0.00 0.56 0.00 0.00 36.38 33.42 1ckr s VAL 436 CO -0.18 0.55 0.39 -0.22 -0.31 0.00 0.00 175.10 175.33 1ckr s LEU 437 N -1.22 4.16 -0.16 1.32 2.96 -0.87 -1.05 118.68 123.82 1ckr s LEU 437 Ca 0.18 0.15 -0.03 0.00 -0.22 0.00 0.00 54.13 54.21 1ckr s LEU 437 Cb -0.12 -2.43 -0.02 0.00 0.50 0.00 0.00 46.19 44.12 1ckr s LEU 437 CO 0.07 -0.25 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.15 1ckr s ILE 438 N 2.10 3.54 -0.08 6.68 -1.09 -0.00 -4.58 121.20 127.77 1ckr s ILE 438 Ca 0.15 -0.48 -0.01 0.00 -2.23 0.00 0.00 60.65 58.08 1ckr s ILE 438 Cb -0.16 -2.54 0.03 0.00 -1.58 0.00 0.00 42.46 38.21 1ckr s ILE 438 CO 0.11 0.49 -0.01 -1.10 -1.23 0.00 0.00 174.94 173.20 1ckr s GLN 439 N 0.56 0.72 -0.07 2.79 -0.21 -1.20 -0.99 119.66 121.26 1ckr s GLN 439 Ca -0.05 0.04 -0.20 0.00 0.02 0.00 0.00 55.36 55.18 1ckr s GLN 439 Cb -0.15 -1.09 -0.04 0.00 1.00 0.00 0.00 33.01 32.73 1ckr s GLN 439 CO 0.03 -0.31 0.55 0.08 -2.12 0.00 0.00 175.29 173.52 1ckr s VAL 440 N 1.94 5.08 -0.24 1.09 1.01 0.52 0.15 120.40 129.94 1ckr s VAL 440 Ca 0.05 1.13 0.02 0.00 0.00 0.00 0.00 61.98 63.18 1ckr s VAL 440 Cb -0.12 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.42 1ckr s VAL 440 CO -0.06 0.35 -0.10 -0.31 0.00 0.00 0.00 175.10 174.97 1ckr s TYR 441 N 0.37 2.93 -0.78 5.22 1.51 -0.73 -2.20 117.35 123.67 1ckr s TYR 441 Ca 0.30 -2.05 -0.21 0.00 -1.01 0.00 0.00 57.07 54.10 1ckr s TYR 441 Cb -0.17 -1.82 0.10 0.00 -0.11 0.00 0.00 41.96 39.97 1ckr s TYR 441 CO 0.14 -0.83 1.03 -2.00 -1.11 0.00 0.00 175.55 172.78 1ckr s GLU 442 N 1.22 3.32 0.00 -0.62 2.12 -0.33 -2.53 118.70 121.88 1ckr s GLU 442 Ca -0.06 -1.25 0.00 0.00 0.36 0.00 0.00 54.97 54.02 1ckr s GLU 442 Cb -0.19 -4.55 0.00 0.00 0.26 0.00 0.00 34.13 29.65 1ckr s GLU 442 CO -0.06 -1.80 0.00 0.41 -0.54 0.00 0.00 175.26 173.27 1ckr n GLY 443 N 5.45 3.24 0.00 -1.50 0.00 -1.22 -0.77 105.19 110.39 1ckr n GLY 443 Ca 0.08 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1ckr n GLY 443 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ckr n GLU 444 N -0.79 0.00 0.00 1.61 0.00 -1.26 -4.62 120.64 115.58 1ckr n GLU 444 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1ckr n GLU 444 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1ckr n GLU 444 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1ckr n ARG 445 N 0.00 0.00 -0.93 3.44 5.12 -1.26 -4.55 116.66 118.48 1ckr n ARG 445 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1ckr n ARG 445 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1ckr n ARG 445 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ckr n ALA 446 N 0.00 -0.46 -3.82 7.54 0.00 -1.26 -4.82 120.51 117.68 1ckr n ALA 446 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1ckr n ALA 446 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ckr n ALA 446 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ckr n MET 447 N -0.15 0.86 -3.04 0.00 3.85 -1.26 -4.65 117.12 112.72 1ckr n MET 447 Ca 0.00 -2.26 -0.23 0.00 -1.00 0.00 0.00 57.70 54.21 1ckr n MET 447 Cb 0.00 2.50 -0.03 0.00 -1.05 0.00 0.00 33.22 34.63 1ckr n MET 447 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1ckr n THR 448 N -0.50 1.61 0.00 3.17 -2.24 -1.22 -3.25 114.28 111.85 1ckr n THR 448 Ca -0.04 -5.11 0.00 0.00 -2.27 0.00 0.00 64.05 56.63 1ckr n THR 448 Cb 0.54 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 1ckr n THR 448 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ckr n LYS 449 N -0.02 0.00 -2.68 -0.78 4.81 -1.26 -5.03 118.16 113.19 1ckr n LYS 449 Ca 0.28 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.64 1ckr n LYS 449 Cb 0.52 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.61 1ckr n LYS 449 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1ckr n ASP 450 N 0.00 0.98 -1.66 3.14 -0.08 -1.26 -5.10 116.55 112.57 1ckr n ASP 450 Ca 0.00 -2.60 0.00 0.00 -1.51 0.00 0.00 54.79 50.68 1ckr n ASP 450 Cb 0.00 -0.31 0.00 0.00 2.34 0.00 0.00 41.12 43.15 1ckr n ASP 450 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1ckr n ASN 451 N -0.21 0.00 -4.36 1.67 6.94 -1.26 -4.96 115.26 113.08 1ckr n ASN 451 Ca 0.07 -0.69 -0.44 0.00 -0.02 0.00 0.00 54.58 53.50 1ckr n ASN 451 Cb 0.82 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 38.17 1ckr n ASN 451 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1ckr s ASN 452 N -1.00 6.07 -0.25 0.53 -0.87 0.05 -4.90 114.94 114.57 1ckr s ASN 452 Ca 0.00 -1.40 -0.29 0.00 -1.57 0.00 0.00 52.86 49.60 1ckr s ASN 452 Cb 0.00 -2.15 -0.01 0.00 -0.02 0.00 0.00 41.25 39.06 1ckr s ASN 452 CO 0.00 -0.65 1.42 -0.22 -2.57 0.00 0.00 177.10 175.08 1ckr s LEU 453 N 1.60 3.93 -0.25 0.60 0.20 -1.26 -1.19 118.68 122.30 1ckr s LEU 453 Ca 0.04 1.43 -0.18 0.00 0.69 0.00 0.00 54.13 56.11 1ckr s LEU 453 Cb -0.25 -3.54 0.07 0.00 -0.43 0.00 0.00 46.19 42.05 1ckr s LEU 453 CO 0.06 -1.11 0.65 -1.48 -0.29 0.00 0.00 176.35 174.17 1ckr s LEU 454 N 4.58 -0.67 -0.08 -0.68 0.05 -0.93 -5.03 118.68 115.92 1ckr s LEU 454 Ca 0.62 1.37 -0.04 0.00 0.05 0.00 0.00 54.13 56.13 1ckr s LEU 454 Cb -0.21 2.22 0.02 0.00 -2.05 0.00 0.00 46.19 46.17 1ckr s LEU 454 CO 0.25 -0.23 0.08 0.61 -0.55 0.00 0.00 176.35 176.50 1ckr n GLY 455 N 3.64 -3.74 3.03 -3.48 0.00 -1.26 -3.31 105.19 100.06 1ckr n GLY 455 Ca -0.18 0.36 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1ckr n GLY 455 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ckr s LYS 456 N -0.83 0.91 0.03 1.61 -2.85 -1.26 -0.36 119.74 116.98 1ckr s LYS 456 Ca -0.09 -0.34 -0.02 0.00 -1.00 0.00 0.00 55.97 54.52 1ckr s LYS 456 Cb 0.01 -0.86 -0.02 0.00 -2.06 0.00 0.00 37.83 34.90 1ckr s LYS 456 CO 0.29 0.17 0.01 -0.59 0.10 0.00 0.00 175.35 175.33 1ckr s PHE 457 N -0.03 0.27 -0.24 1.78 -0.71 -0.16 -5.01 117.98 113.88 1ckr s PHE 457 Ca 0.01 -0.57 -0.07 0.00 -1.04 0.00 0.00 56.93 55.25 1ckr s PHE 457 Cb -0.06 -0.20 -0.03 0.00 -1.21 0.00 0.00 43.02 41.52 1ckr s PHE 457 CO 0.00 -0.26 0.07 -2.00 -1.34 0.00 0.00 175.22 171.69 1ckr s GLU 458 N -2.04 3.72 -0.23 1.99 2.12 -1.26 -0.82 118.70 122.18 1ckr s GLU 458 Ca -0.10 -0.45 -0.10 0.00 0.36 0.00 0.00 54.97 54.68 1ckr s GLU 458 Cb -0.05 -3.31 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 1ckr s GLU 458 CO -0.03 -0.10 0.14 -1.17 -0.54 0.00 0.00 175.26 173.56 1ckr s LEU 459 N 1.38 4.07 0.02 2.70 2.96 -0.21 -4.98 118.68 124.63 1ckr s LEU 459 Ca 0.05 0.11 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 1ckr s LEU 459 Cb -0.15 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 1ckr s LEU 459 CO 0.04 0.09 -0.05 0.42 -1.32 0.00 0.00 176.35 175.53 1ckr s THR 460 N 0.91 0.32 0.00 3.68 -4.23 -1.26 -1.20 115.64 113.86 1ckr s THR 460 Ca 0.07 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 1ckr s THR 460 Cb -0.13 -0.38 0.00 0.00 1.34 0.00 0.00 72.50 73.33 1ckr s THR 460 CO 0.03 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1ckr n GLY 461 N 2.00 0.22 3.91 3.99 0.00 -1.26 -5.08 105.19 108.96 1ckr n GLY 461 Ca -0.20 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 1ckr n GLY 461 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ckr s ILE 462 N 0.00 5.31 -0.27 -0.61 -1.09 -1.26 -4.92 121.20 118.36 1ckr s ILE 462 Ca 0.00 -0.42 -0.29 0.00 -2.23 0.00 0.00 60.65 57.71 1ckr s ILE 462 Cb 0.00 -3.59 0.01 0.00 -1.58 0.00 0.00 42.46 37.30 1ckr s ILE 462 CO 0.00 0.14 1.11 -2.16 -1.23 0.00 0.00 174.94 172.81 1ckr s PRO 463 N -2.49 4.13 -1.14 2.79 0.04 -1.26 -4.63 135.00 132.44 1ckr s PRO 463 Ca 0.34 1.26 -0.19 0.00 0.04 0.00 0.00 61.00 62.45 1ckr s PRO 463 Cb -0.13 -3.73 -0.05 0.00 0.04 0.00 0.00 34.50 30.64 1ckr s PRO 463 CO 0.27 -0.82 1.97 -0.35 0.04 0.00 0.00 177.00 178.12 1ckr n PRO 464 N 6.72 2.21 -2.65 0.56 -0.04 -1.26 -4.32 135.00 136.22 1ckr n PRO 464 Ca 0.13 -2.45 -0.21 0.00 -0.04 0.00 0.00 63.50 60.93 1ckr n PRO 464 Cb 0.46 -3.29 0.04 0.00 -0.04 0.00 0.00 33.50 30.67 1ckr n PRO 464 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ckr s ALA 465 N 5.58 3.92 0.90 0.55 0.00 -1.26 -4.80 121.76 126.65 1ckr s ALA 465 Ca 0.56 -1.34 -0.12 0.00 0.00 0.00 0.00 51.96 51.06 1ckr s ALA 465 Cb 0.09 -2.06 0.13 0.00 0.00 0.00 0.00 23.12 21.28 1ckr s ALA 465 CO 0.06 -0.74 1.10 -2.14 0.00 0.00 0.00 175.76 174.04 1ckr s PRO 466 N -4.75 1.22 -0.35 0.00 0.02 -1.26 -3.21 135.00 126.67 1ckr s PRO 466 Ca 0.57 0.69 -0.45 0.00 0.02 0.00 0.00 61.00 61.84 1ckr s PRO 466 Cb -0.10 -1.81 -0.20 0.00 0.02 0.00 0.00 34.50 32.40 1ckr s PRO 466 CO 0.38 -2.23 1.44 -2.13 -0.33 0.00 0.00 177.00 174.13 1ckr n ARG 467 N -3.86 0.00 -0.41 5.54 0.63 -1.24 -1.15 116.66 116.17 1ckr n ARG 467 Ca 0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 1ckr n ARG 467 Cb 0.56 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.98 1ckr n ARG 467 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ckr n GLY 468 N 3.25 2.05 0.13 5.14 0.00 -1.06 -4.94 105.19 109.75 1ckr n GLY 468 Ca 0.28 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.08 1ckr n GLY 468 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ckr n VAL 469 N -2.00 1.65 -1.79 1.61 0.31 -0.30 -4.61 118.33 113.20 1ckr n VAL 469 Ca 0.00 -0.46 -0.41 0.00 -0.01 0.00 0.00 64.34 63.46 1ckr n VAL 469 Cb 0.00 -1.78 -0.00 0.00 -0.91 0.00 0.00 33.84 31.15 1ckr n VAL 469 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1ckr s PRO 470 N -2.50 4.10 0.06 5.55 0.02 -1.26 -4.91 135.00 136.07 1ckr s PRO 470 Ca -0.28 2.59 -0.22 0.00 0.02 0.00 0.00 61.00 63.11 1ckr s PRO 470 Cb 0.08 -2.97 0.05 0.00 0.02 0.00 0.00 34.50 31.68 1ckr s PRO 470 CO 0.67 -0.56 0.51 1.14 -0.33 0.00 0.00 177.00 178.44 1ckr s GLN 471 N -1.90 1.06 -0.00 5.54 -2.07 -1.26 -1.74 119.66 119.28 1ckr s GLN 471 Ca 0.54 -0.29 0.00 0.00 -1.82 0.00 0.00 55.36 53.79 1ckr s GLN 471 Cb -0.47 0.48 -0.00 0.00 -1.09 0.00 0.00 33.01 31.93 1ckr s GLN 471 CO 0.62 -0.39 -0.01 0.96 -1.32 0.00 0.00 175.29 175.15 1ckr s ILE 472 N -2.66 0.06 -0.55 3.63 -0.00 0.21 -4.65 121.20 117.25 1ckr s ILE 472 Ca -0.04 -0.04 -0.20 0.00 -0.00 0.00 0.00 60.65 60.37 1ckr s ILE 472 Cb -0.00 -0.06 0.07 0.00 -0.00 0.00 0.00 42.46 42.46 1ckr s ILE 472 CO -0.03 0.01 0.71 -0.70 -0.00 0.00 0.00 174.94 174.93 1ckr s GLU 473 N -0.03 3.13 -0.80 0.37 2.56 0.18 -0.28 118.70 123.83 1ckr s GLU 473 Ca 0.00 -0.91 -0.25 0.00 0.00 0.00 0.00 54.97 53.82 1ckr s GLU 473 Cb -0.00 -4.14 0.05 0.00 2.00 0.00 0.00 34.13 32.03 1ckr s GLU 473 CO -0.00 -1.39 1.24 0.08 -0.56 0.00 0.00 175.26 174.64 1ckr s VAL 474 N 2.94 3.96 -0.29 3.70 1.01 -0.16 -0.20 120.40 131.36 1ckr s VAL 474 Ca 0.17 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.85 1ckr s VAL 474 Cb -0.19 -4.89 -0.03 0.00 0.00 0.00 0.00 36.38 31.26 1ckr s VAL 474 CO 0.11 -1.77 0.39 -0.89 0.00 0.00 0.00 175.10 172.94 1ckr s THR 475 N 5.02 5.15 -0.57 3.92 2.01 0.75 -2.49 115.64 129.43 1ckr s THR 475 Ca 0.35 0.49 -0.14 0.00 0.31 0.00 0.00 61.69 62.70 1ckr s THR 475 Cb -0.08 -3.74 0.14 0.00 0.01 0.00 0.00 72.50 68.83 1ckr s THR 475 CO 0.07 0.09 0.50 -0.36 -0.69 0.00 0.00 174.62 174.23 1ckr s PHE 476 N 2.10 3.36 -0.72 4.92 0.40 0.07 0.09 117.98 128.21 1ckr s PHE 476 Ca 0.15 -1.55 -0.14 0.00 -0.60 0.00 0.00 56.93 54.79 1ckr s PHE 476 Cb -0.16 -3.72 0.19 0.00 0.51 0.00 0.00 43.02 39.84 1ckr s PHE 476 CO 0.10 -1.01 0.66 0.34 0.70 0.00 0.00 175.22 176.02 1ckr s ASP 477 N 3.13 6.47 -0.01 1.36 2.15 -0.64 -1.35 116.67 127.77 1ckr s ASP 477 Ca 0.06 -2.44 -0.22 0.00 0.43 0.00 0.00 52.55 50.38 1ckr s ASP 477 Cb -0.26 -2.18 -0.05 0.00 -0.30 0.00 0.00 42.92 40.13 1ckr s ASP 477 CO 0.00 -0.64 0.64 -0.63 -0.17 0.00 0.00 175.17 174.38 1ckr s ILE 478 N 0.57 4.92 0.34 4.11 1.01 -0.06 -0.95 121.20 131.14 1ckr s ILE 478 Ca 0.13 1.35 -0.06 0.00 0.00 0.00 0.00 60.65 62.07 1ckr s ILE 478 Cb -0.17 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 1ckr s ILE 478 CO -0.05 0.37 0.64 -1.81 0.00 0.00 0.00 174.94 174.09 1ckr s ASP 479 N 0.08 6.44 0.57 3.58 1.01 0.93 -2.12 116.67 127.16 1ckr s ASP 479 Ca 0.34 0.84 0.30 0.00 0.71 0.00 0.00 52.55 54.74 1ckr s ASP 479 Cb -0.18 -2.20 1.44 0.00 1.01 0.00 0.00 42.92 42.99 1ckr s ASP 479 CO 0.18 -0.30 1.83 0.00 0.21 0.00 0.00 175.17 177.10 1ckr h ALA 480 N 1.36 2.54 -0.33 5.23 0.00 -1.88 -1.82 119.26 124.35 1ckr h ALA 480 Ca -0.48 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 1ckr h ALA 480 Cb 1.19 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.93 1ckr h ALA 480 CO 0.65 -1.00 0.23 0.09 0.00 0.00 0.00 179.25 179.22 1ckr n ASN 481 N -3.87 3.86 -3.76 0.00 4.13 -1.26 -4.85 115.26 109.51 1ckr n ASN 481 Ca 0.14 -2.60 -0.26 0.00 1.68 0.00 0.00 54.58 53.54 1ckr n ASN 481 Cb 0.89 -0.71 0.04 0.00 -1.54 0.00 0.00 39.78 38.46 1ckr n ASN 481 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ckr n GLY 482 N 0.11 -0.44 3.31 7.41 0.00 -0.71 -4.74 105.19 110.14 1ckr n GLY 482 Ca 0.20 0.18 -0.36 0.00 0.00 0.00 0.00 46.02 46.04 1ckr n GLY 482 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ckr s ILE 483 N -3.40 3.61 -0.40 -0.61 1.01 -1.09 -4.23 121.20 116.09 1ckr s ILE 483 Ca 0.43 -0.69 -0.18 0.00 0.00 0.00 0.00 60.65 60.22 1ckr s ILE 483 Cb -0.21 -2.80 0.01 0.00 0.01 0.00 0.00 42.46 39.47 1ckr s ILE 483 CO 0.80 0.20 0.47 -0.22 0.00 0.00 0.00 174.94 176.19 1ckr s LEU 484 N 1.46 4.64 -0.85 2.97 2.96 -0.89 -0.05 118.68 128.93 1ckr s LEU 484 Ca 0.03 -0.43 -0.21 0.00 -0.22 0.00 0.00 54.13 53.30 1ckr s LEU 484 Cb -0.16 -2.46 0.10 0.00 0.50 0.00 0.00 46.19 44.16 1ckr s LEU 484 CO -0.00 -0.55 1.11 0.20 -1.32 0.00 0.00 176.35 175.79 1ckr s ASN 485 N 1.82 6.45 -0.40 3.68 0.01 -0.12 -0.77 114.94 125.61 1ckr s ASN 485 Ca 0.15 -1.61 -0.21 0.00 -0.71 0.00 0.00 52.86 50.48 1ckr s ASN 485 Cb -0.16 -2.43 0.01 0.00 0.41 0.00 0.00 41.25 39.09 1ckr s ASN 485 CO 0.14 -1.25 0.69 -0.69 -1.51 0.00 0.00 177.10 174.48 1ckr s VAL 486 N 3.44 4.80 -0.27 1.60 1.01 0.11 -1.63 120.40 129.46 1ckr s VAL 486 Ca 0.31 0.49 0.01 0.00 0.00 0.00 0.00 61.98 62.79 1ckr s VAL 486 Cb -0.08 -4.18 0.06 0.00 0.00 0.00 0.00 36.38 32.17 1ckr s VAL 486 CO -0.03 -0.49 -0.07 -0.55 0.00 0.00 0.00 175.10 173.96 1ckr s SER 487 N 1.92 4.60 -0.42 3.32 0.15 0.11 -2.02 113.70 121.36 1ckr s SER 487 Ca 0.26 -1.36 -0.24 0.00 0.70 0.00 0.00 55.95 55.31 1ckr s SER 487 Cb -0.14 -1.60 0.02 0.00 -1.71 0.00 0.00 66.02 62.59 1ckr s SER 487 CO 0.18 -0.21 0.83 0.00 1.20 0.00 0.00 173.24 175.23 1ckr s ALA 488 N 1.15 3.33 -0.20 5.45 0.00 -0.62 -0.18 121.76 130.69 1ckr s ALA 488 Ca -0.08 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 1ckr s ALA 488 Cb -0.20 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 1ckr s ALA 488 CO -0.04 -1.80 -0.00 0.08 0.00 0.00 0.00 175.76 174.00 1ckr s VAL 489 N 3.35 3.92 -0.89 0.00 1.01 0.72 -2.40 120.40 126.10 1ckr s VAL 489 Ca 0.32 -0.33 -0.19 0.00 0.00 0.00 0.00 61.98 61.79 1ckr s VAL 489 Cb -0.12 -2.77 0.13 0.00 0.00 0.00 0.00 36.38 33.62 1ckr s VAL 489 CO 0.21 0.43 1.09 -0.62 0.00 0.00 0.00 175.10 176.22 1ckr s ASP 490 N 0.99 6.57 0.09 3.32 -1.08 0.78 0.52 116.67 127.87 1ckr s ASP 490 Ca 0.02 -1.94 -0.09 0.00 -0.52 0.00 0.00 52.55 50.01 1ckr s ASP 490 Cb -0.14 -2.39 -0.19 0.00 -1.46 0.00 0.00 42.92 38.73 1ckr s ASP 490 CO 0.02 -1.09 1.22 0.07 0.52 0.00 0.00 175.17 175.90 1ckr h LYS 491 N 8.89 0.53 -0.46 4.34 5.09 -1.82 -0.23 116.57 132.91 1ckr h LYS 491 Ca 0.10 -0.62 0.03 0.00 0.09 0.00 0.00 60.65 60.25 1ckr h LYS 491 Cb 1.03 0.19 -0.02 0.00 0.10 0.00 0.00 32.23 33.52 1ckr h LYS 491 CO 1.11 1.24 0.31 0.77 -2.09 0.00 0.00 179.45 180.78 1ckr h SER 492 N 0.28 0.44 1.20 7.07 0.02 -1.91 -2.08 113.55 118.57 1ckr h SER 492 Ca -0.12 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1ckr h SER 492 Cb 1.72 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.15 1ckr h SER 492 CO 0.20 0.31 0.00 0.41 -1.14 0.00 0.00 176.83 176.60 1ckr n THR 493 N -4.48 0.53 -3.77 -2.27 -1.04 -1.17 -5.01 114.28 97.07 1ckr n THR 493 Ca 0.05 -0.11 -0.34 0.00 -2.04 0.00 0.00 64.05 61.61 1ckr n THR 493 Cb 0.14 -0.68 0.03 0.00 -1.82 0.00 0.00 70.33 68.00 1ckr n THR 493 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ckr n GLY 494 N 1.07 -1.00 2.92 3.41 0.00 -0.19 -5.02 105.19 106.39 1ckr n GLY 494 Ca 0.05 0.44 -0.15 0.00 0.00 0.00 0.00 46.02 46.36 1ckr n GLY 494 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ckr s LYS 495 N -6.15 0.10 0.05 1.61 2.36 -0.65 -5.03 119.74 112.03 1ckr s LYS 495 Ca 0.42 0.56 0.02 0.00 -2.55 0.00 0.00 55.97 54.42 1ckr s LYS 495 Cb -0.18 -0.18 -0.03 0.00 -1.05 0.00 0.00 37.83 36.40 1ckr s LYS 495 CO 0.89 -0.25 -0.07 -1.83 1.55 0.00 0.00 175.35 175.64 1ckr s GLU 496 N 1.93 0.57 -0.04 4.03 -1.05 -1.26 -0.15 118.70 122.72 1ckr s GLU 496 Ca -0.02 -0.85 0.02 0.00 -0.15 0.00 0.00 54.97 53.97 1ckr s GLU 496 Cb -0.12 -0.24 0.01 0.00 -0.44 0.00 0.00 34.13 33.34 1ckr s GLU 496 CO -0.07 0.03 -0.09 1.21 0.95 0.00 0.00 175.26 177.29 1ckr s ASN 497 N -1.83 1.30 0.03 0.83 2.47 -1.01 -4.99 114.94 111.74 1ckr s ASN 497 Ca -0.07 -0.20 0.03 0.00 0.42 0.00 0.00 52.86 53.04 1ckr s ASN 497 Cb -0.07 -0.48 -0.02 0.00 -1.45 0.00 0.00 41.25 39.23 1ckr s ASN 497 CO -0.01 0.03 -0.10 -1.59 -3.72 0.00 0.00 177.10 171.72 1ckr s LYS 498 N 0.48 0.67 -0.10 0.43 -2.85 -1.26 -1.59 119.74 115.52 1ckr s LYS 498 Ca -0.08 -0.62 0.03 0.00 -1.00 0.00 0.00 55.97 54.30 1ckr s LYS 498 Cb -0.12 -0.59 -0.00 0.00 -2.06 0.00 0.00 37.83 35.05 1ckr s LYS 498 CO 0.01 0.14 -0.22 -1.50 0.10 0.00 0.00 175.35 173.88 1ckr s ILE 499 N -0.86 2.24 -0.44 3.79 2.07 -0.86 -4.95 121.20 122.19 1ckr s ILE 499 Ca -0.02 -0.96 -0.15 0.00 -1.41 0.00 0.00 60.65 58.11 1ckr s ILE 499 Cb -0.07 -1.87 0.05 0.00 0.13 0.00 0.00 42.46 40.70 1ckr s ILE 499 CO 0.01 0.55 0.35 -0.89 -1.91 0.00 0.00 174.94 173.05 1ckr s THR 500 N 0.31 5.23 -0.35 4.00 2.01 -1.26 -0.71 115.64 124.87 1ckr s THR 500 Ca -0.17 -0.89 -0.19 0.00 0.31 0.00 0.00 61.69 60.76 1ckr s THR 500 Cb -0.17 -4.03 -0.00 0.00 0.01 0.00 0.00 72.50 68.30 1ckr s THR 500 CO 0.08 -0.46 0.54 -0.63 -0.69 0.00 0.00 174.62 173.46 1ckr s ILE 501 N 1.66 4.99 -0.11 1.82 1.01 0.05 -4.95 121.20 125.67 1ckr s ILE 501 Ca 0.04 0.40 -0.24 0.00 0.00 0.00 0.00 60.65 60.86 1ckr s ILE 501 Cb -0.22 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 1ckr s ILE 501 CO 0.08 -0.24 0.75 0.42 0.00 0.00 0.00 174.94 175.95 1ckr s THR 502 N 2.46 4.99 -1.13 2.92 -4.23 -1.26 -2.10 115.64 117.29 1ckr s THR 502 Ca 0.20 1.50 -0.18 0.00 -1.18 0.00 0.00 61.69 62.04 1ckr s THR 502 Cb -0.15 -4.07 0.11 0.00 1.34 0.00 0.00 72.50 69.73 1ckr s THR 502 CO 0.14 0.16 1.45 0.21 -0.54 0.00 0.00 174.62 176.04 1ckr s ASN 503 N 0.96 6.80 -0.00 3.99 3.84 -1.26 -4.61 114.94 124.66 1ckr s ASN 503 Ca 0.38 -2.35 -0.00 0.00 0.21 0.00 0.00 52.86 51.10 1ckr s ASN 503 Cb -0.17 -2.48 -0.00 0.00 -0.55 0.00 0.00 41.25 38.05 1ckr s ASN 503 CO 0.16 -1.07 -0.00 0.47 -2.79 0.00 0.00 177.10 173.87 1ckr n ASP 504 N 7.17 3.18 -4.22 -4.21 8.00 -1.26 -5.03 116.55 120.19 1ckr n ASP 504 Ca 0.36 -0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.52 1ckr n ASP 504 Cb 0.47 -0.01 -0.15 0.00 -0.02 0.00 0.00 41.12 41.41 1ckr n ASP 504 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ckr s LYS 505 N -2.01 3.20 0.00 -1.24 1.02 -1.26 -4.78 119.74 114.66 1ckr s LYS 505 Ca -0.00 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.26 1ckr s LYS 505 Cb 0.00 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.51 1ckr s LYS 505 CO 0.01 -0.20 0.00 0.41 -0.92 0.00 0.00 175.35 174.65 1ckr n GLY 506 N 4.70 2.20 3.69 -3.33 0.00 -1.26 -5.03 105.19 106.15 1ckr n GLY 506 Ca -0.19 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 1ckr n GLY 506 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ckr n ARG 506 N 0.00 -3.75 -0.24 1.61 3.00 -1.26 -4.96 116.66 111.06 1ckr n ARG 506 Ca 0.00 0.58 -0.03 0.00 -0.01 0.00 0.00 57.85 58.39 1ckr n ARG 506 Cb 0.00 -4.95 0.03 0.00 0.00 0.00 0.00 32.46 27.54 1ckr n ARG 506 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.63 179.00 1ckr h LEU 507 N -1.80 -1.09 0.00 0.55 -0.00 -2.01 -3.47 115.31 107.49 1ckr h LEU 507 Ca -0.62 0.24 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 1ckr h LEU 507 Cb 1.36 0.57 0.00 0.00 -0.00 0.00 0.00 40.66 42.59 1ckr h LEU 507 CO 0.54 -0.29 0.00 -0.24 -0.00 0.00 0.00 178.44 178.45 1ckr n SER 508 N -5.45 0.00 -0.31 0.17 2.88 -1.26 -2.64 113.62 107.01 1ckr n SER 508 Ca 0.06 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.72 1ckr n SER 508 Cb 0.37 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 64.12 1ckr n SER 508 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1ckr h LYS 509 N 0.00 0.50 0.31 -1.46 -0.00 -1.99 -2.73 116.57 111.19 1ckr h LYS 509 Ca 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.65 60.61 1ckr h LYS 509 Cb 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 32.23 32.12 1ckr h LYS 509 CO 0.00 0.33 -0.15 1.05 -0.00 0.00 0.00 179.45 180.68 1ckr h GLU 510 N 0.51 -0.40 -0.35 0.07 4.11 -1.92 -2.87 114.58 113.73 1ckr h GLU 510 Ca 0.54 0.03 -0.12 0.00 0.07 0.00 0.00 59.36 59.88 1ckr h GLU 510 Cb 0.94 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1ckr h GLU 510 CO -0.46 -0.26 -0.25 -0.44 0.07 0.00 0.00 179.01 177.66 1ckr h ASP 511 N -1.01 0.72 0.20 3.06 3.32 -1.62 -2.79 116.42 118.30 1ckr h ASP 511 Ca -0.04 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 1ckr h ASP 511 Cb 0.31 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1ckr h ASP 511 CO 0.07 0.95 -0.10 0.40 -1.72 0.00 0.00 179.24 178.84 1ckr h ILE 512 N 0.61 0.89 -0.56 0.35 5.03 -1.66 -1.66 117.51 120.51 1ckr h ILE 512 Ca 0.08 -0.62 0.01 0.00 -0.12 0.00 0.00 64.86 64.21 1ckr h ILE 512 Cb 0.75 1.25 -0.03 0.00 -3.03 0.00 0.00 36.82 35.76 1ckr h ILE 512 CO 0.06 0.14 0.37 -0.08 -0.68 0.00 0.00 178.15 177.96 1ckr h GLU 513 N -0.58 0.73 0.05 2.37 4.57 -1.57 -2.41 114.58 117.73 1ckr h GLU 513 Ca -0.03 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1ckr h GLU 513 Cb 0.43 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1ckr h GLU 513 CO 0.05 0.48 -0.02 0.07 -1.18 0.00 0.00 179.01 178.40 1ckr h ARG 514 N 0.75 -0.06 0.00 1.92 0.11 -1.55 -3.35 114.38 112.19 1ckr h ARG 514 Ca 0.21 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.22 1ckr h ARG 514 Cb -0.07 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.02 1ckr h ARG 514 CO -0.05 0.51 -0.44 0.52 0.10 0.00 0.00 179.97 180.61 1ckr h MET 515 N -0.70 0.00 0.00 0.08 2.86 -1.32 -3.39 114.93 112.46 1ckr h MET 515 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1ckr h MET 515 Cb 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.26 1ckr h MET 515 CO 0.01 0.84 0.00 1.55 1.06 0.00 0.00 176.91 180.37 1ckr n VAL 516 N -4.57 0.10 -1.36 -2.22 3.14 -0.91 -0.94 118.33 111.56 1ckr n VAL 516 Ca -0.16 0.02 -0.28 0.00 -2.96 0.00 0.00 64.34 60.96 1ckr n VAL 516 Cb 0.49 -0.58 0.02 0.00 -1.06 0.00 0.00 33.84 32.70 1ckr n VAL 516 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ckr n GLN 517 N -1.21 2.37 0.09 1.45 6.02 -1.25 -4.02 117.38 120.83 1ckr n GLN 517 Ca 0.15 -2.58 0.00 0.00 -0.01 0.00 0.00 57.00 54.56 1ckr n GLN 517 Cb 0.18 -2.05 0.00 0.00 1.02 0.00 0.00 30.24 29.39 1ckr n GLN 517 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1ckr n GLU 518 N 0.02 0.00 0.00 -1.09 0.28 -1.20 -5.05 120.64 113.61 1ckr n GLU 518 Ca 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.48 1ckr n GLU 518 Cb 0.52 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.39 1ckr n GLU 518 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ckr n ALA 519 N -2.83 0.00 -0.34 -1.84 0.00 -0.12 -0.28 120.51 115.11 1ckr n ALA 519 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1ckr n ALA 519 Cb 0.00 0.06 0.35 0.00 0.00 0.00 0.00 19.45 19.86 1ckr n ALA 519 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1ckr h GLU 520 N 0.00 0.58 0.00 0.00 -0.00 -1.84 -1.63 114.58 111.69 1ckr h GLU 520 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.33 1ckr h GLU 520 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 28.75 28.62 1ckr h GLU 520 CO 0.00 0.38 0.00 1.63 -0.00 0.00 0.00 179.01 181.02 1ckr n LYS 521 N -4.88 0.00 0.00 1.06 4.01 -1.22 -2.81 118.16 114.32 1ckr n LYS 521 Ca 0.25 0.24 0.03 0.00 -0.51 0.00 0.00 58.31 58.31 1ckr n LYS 521 Cb 0.68 -1.15 0.15 0.00 -0.51 0.00 0.00 35.03 34.20 1ckr n LYS 521 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 1ckr n TYR 522 N -1.06 0.00 -0.08 2.13 4.19 0.61 -2.32 117.16 120.63 1ckr n TYR 522 Ca 0.00 0.00 -0.13 0.00 3.31 0.00 0.00 57.90 61.08 1ckr n TYR 522 Cb 0.00 -0.06 -0.04 0.00 0.49 0.00 0.00 39.34 39.73 1ckr n TYR 522 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 1ckr n LYS 523 N -1.06 0.45 0.28 2.98 4.81 -0.63 -0.44 118.16 124.55 1ckr n LYS 523 Ca 0.04 0.18 0.19 0.00 -0.87 0.00 0.00 58.31 57.85 1ckr n LYS 523 Cb 0.02 -1.27 1.00 0.00 0.02 0.00 0.00 35.03 34.80 1ckr n LYS 523 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ckr h ALA 524 N -0.81 1.00 0.00 3.14 0.00 -1.54 0.59 119.26 121.64 1ckr h ALA 524 Ca -0.19 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1ckr h ALA 524 Cb 1.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1ckr h ALA 524 CO -0.12 0.00 -1.03 1.49 0.00 0.00 0.00 179.25 179.60 1ckr h GLU 525 N 0.00 0.00 0.00 0.00 4.81 -1.64 -3.03 114.58 114.72 1ckr h GLU 525 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ckr h GLU 525 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1ckr h GLU 525 CO 0.00 0.39 0.28 0.22 -0.73 0.00 0.00 179.01 179.17 1ckr h ASP 526 N 0.00 0.00 -2.40 1.04 1.82 0.16 -3.46 116.42 113.58 1ckr h ASP 526 Ca -0.09 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1ckr h ASP 526 Cb 1.50 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.51 1ckr h ASP 526 CO 0.06 0.00 0.00 -0.62 -1.61 0.00 0.00 179.24 177.07 1ckr n GLU 527 N -2.57 0.00 -3.40 0.28 1.02 -1.10 -4.26 120.64 110.61 1ckr n GLU 527 Ca -0.02 0.40 -0.19 0.00 -0.02 0.00 0.00 57.16 57.34 1ckr n GLU 527 Cb 0.32 -1.20 0.07 0.00 -0.02 0.00 0.00 31.44 30.60 1ckr n GLU 527 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ckr n LYS 528 N -0.74 -3.18 0.00 3.49 4.01 -1.18 -4.73 118.16 115.84 1ckr n LYS 528 Ca 0.00 0.77 0.00 0.00 -0.51 0.00 0.00 58.31 58.57 1ckr n LYS 528 Cb 0.34 -5.49 0.00 0.00 -0.51 0.00 0.00 35.03 29.36 1ckr n LYS 528 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ckr n GLN 529 N -3.66 0.00 -0.05 1.97 -0.00 -1.10 -1.85 117.38 112.68 1ckr n GLN 529 Ca -0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 57.00 56.79 1ckr n GLN 529 Cb 0.63 0.00 -0.02 0.00 -0.00 0.00 0.00 30.24 30.85 1ckr n GLN 529 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1ckr n ARG 530 N -0.25 0.36 0.00 2.61 -4.01 -1.26 -4.85 116.66 109.26 1ckr n ARG 530 Ca 0.00 0.15 0.00 0.00 -1.04 0.00 0.00 57.85 56.96 1ckr n ARG 530 Cb 0.00 -1.14 0.00 0.00 -3.04 0.00 0.00 32.46 28.28 1ckr n ARG 530 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 1ckr n ASP 531 N -4.13 0.00 -3.57 2.89 8.00 -0.77 -1.86 116.55 117.11 1ckr n ASP 531 Ca -0.12 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 54.98 1ckr n ASP 531 Cb 0.39 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 1ckr n ASP 531 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1ckr n LYS 532 N -0.67 2.06 0.00 -1.24 -0.00 -1.07 -3.94 118.16 113.29 1ckr n LYS 532 Ca 0.00 -2.00 0.00 0.00 -0.00 0.00 0.00 58.31 56.31 1ckr n LYS 532 Cb 0.00 -2.94 0.00 0.00 -0.00 0.00 0.00 35.03 32.09 1ckr n LYS 532 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1ckr n VAL 533 N 5.37 0.00 0.00 0.58 3.14 -0.78 -5.08 118.33 121.56 1ckr n VAL 533 Ca 0.51 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.89 1ckr n VAL 533 Cb 0.35 -0.08 0.00 0.00 -1.06 0.00 0.00 33.84 33.06 1ckr n VAL 533 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1ckr n SER 534 N 0.00 0.00 0.02 6.55 7.64 -1.26 -4.90 113.62 121.67 1ckr n SER 534 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1ckr n SER 534 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 1ckr n SER 534 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1ckr h SER 535 N 0.00 0.43 0.00 6.43 0.87 -1.87 -3.48 113.55 115.93 1ckr h SER 535 Ca 0.00 -0.88 0.00 0.00 -1.23 0.00 0.00 61.79 59.68 1ckr h SER 535 Cb 0.00 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1ckr h SER 535 CO 0.00 1.62 0.00 1.17 -0.53 0.00 0.00 176.83 179.09 1ckr n LYS 536 N -3.89 0.00 -0.31 2.24 0.00 -1.26 -4.91 118.16 110.02 1ckr n LYS 536 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.07 1ckr n LYS 536 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.95 1ckr n LYS 536 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1ckr n ASN 537 N -2.57 0.00 -4.62 3.14 3.02 -1.25 -4.29 115.26 108.69 1ckr n ASN 537 Ca 0.00 -1.38 -0.30 0.00 -0.03 0.00 0.00 54.58 52.87 1ckr n ASN 537 Cb 0.00 -0.08 0.19 0.00 -0.61 0.00 0.00 39.78 39.28 1ckr n ASN 537 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ckr s SER 538 N -0.38 2.38 -0.44 6.41 1.04 -1.26 -4.19 113.70 117.26 1ckr s SER 538 Ca 0.00 1.80 0.07 0.00 0.48 0.00 0.00 55.95 58.29 1ckr s SER 538 Cb 0.00 -2.39 0.23 0.00 0.10 0.00 0.00 66.02 63.95 1ckr s SER 538 CO 0.00 -3.37 0.51 0.00 0.98 0.00 0.00 173.24 171.36 1ckr n LEU 539 N -4.39 0.63 0.00 2.42 -0.00 -1.26 -4.38 117.00 110.03 1ckr n LEU 539 Ca 0.08 -4.75 0.00 0.00 -0.00 0.00 0.00 56.01 51.34 1ckr n LEU 539 Cb 0.53 0.38 0.00 0.00 -0.00 0.00 0.00 43.42 44.34 1ckr n LEU 539 CO 0.54 2.01 0.00 -1.84 -0.00 0.00 0.00 177.39 178.10