#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 0.51 0.00 -1.46 4.71 -1.26 -5.00 120.64 118.14 1ckr n GLU 384 Ca 0.00 0.27 0.00 0.00 -0.01 0.00 0.00 57.16 57.42 1ckr n GLU 384 Cb 0.00 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 28.96 1ckr n GLU 384 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1ckr n ASN 385 N -4.46 0.00 -2.48 1.62 3.02 -1.26 -4.73 115.26 106.96 1ckr n ASN 385 Ca -0.13 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.38 1ckr n ASN 385 Cb 0.47 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.64 1ckr n ASN 385 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1ckr n VAL 386 N 0.00 -9.05 -3.16 2.41 0.31 -1.26 -5.04 118.33 102.53 1ckr n VAL 386 Ca 0.00 0.88 -0.23 0.00 -0.01 0.00 0.00 64.34 64.99 1ckr n VAL 386 Cb 0.00 -6.41 -0.05 0.00 -0.91 0.00 0.00 33.84 26.47 1ckr n VAL 386 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ckr n GLN 387 N -0.10 1.64 0.00 5.55 10.64 -1.26 -4.97 117.38 128.87 1ckr n GLN 387 Ca 0.06 -3.85 0.00 0.00 -1.83 0.00 0.00 57.00 51.38 1ckr n GLN 387 Cb 0.25 -1.79 0.00 0.00 -0.86 0.00 0.00 30.24 27.84 1ckr n GLN 387 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1ckr n ASP 388 N 0.49 0.00 -4.25 2.61 5.68 -1.26 -4.94 116.55 114.88 1ckr n ASP 388 Ca 0.26 0.00 -0.43 0.00 -0.50 0.00 0.00 54.79 54.12 1ckr n ASP 388 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1ckr n ASP 388 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1ckr n LEU 389 N -0.02 5.71 -4.41 -2.12 7.94 -1.26 -4.94 117.00 117.90 1ckr n LEU 389 Ca 0.00 -4.23 -0.44 0.00 -1.11 0.00 0.00 56.01 50.23 1ckr n LEU 389 Cb 0.00 -1.65 0.00 0.00 0.53 0.00 0.00 43.42 42.30 1ckr n LEU 389 CO 0.00 0.71 1.58 0.18 -1.11 0.00 0.00 177.39 178.76 1ckr n LEU 390 N 6.41 5.34 -4.51 -1.96 4.77 -1.26 -4.95 117.00 120.85 1ckr n LEU 390 Ca 0.45 -4.38 -0.42 0.00 -0.03 0.00 0.00 56.01 51.62 1ckr n LEU 390 Cb 0.42 -1.63 -0.03 0.00 -2.33 0.00 0.00 43.42 39.86 1ckr n LEU 390 CO 0.77 0.70 1.27 -0.22 -1.33 0.00 0.00 177.39 178.58 1ckr s LEU 391 N 1.87 4.27 -0.01 2.23 2.96 -1.26 -4.98 118.68 123.75 1ckr s LEU 391 Ca 0.45 -1.82 0.02 0.00 -0.22 0.00 0.00 54.13 52.55 1ckr s LEU 391 Cb -0.00 -2.49 0.00 0.00 0.50 0.00 0.00 46.19 44.20 1ckr s LEU 391 CO 0.01 -1.26 -0.07 -0.76 -1.32 0.00 0.00 176.35 172.95 1ckr s LEU 392 N 3.78 1.87 -1.24 -0.68 1.43 -1.26 -5.08 118.68 117.50 1ckr s LEU 392 Ca 0.40 -0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 53.23 1ckr s LEU 392 Cb -0.02 -0.41 0.15 0.00 0.03 0.00 0.00 46.19 45.94 1ckr s LEU 392 CO -0.09 0.06 1.57 0.47 0.23 0.00 0.00 176.35 178.59 1ckr n ASP 393 N 3.13 5.13 -4.81 2.29 8.00 -1.26 -5.01 116.55 124.02 1ckr n ASP 393 Ca -0.16 -2.98 -0.35 0.00 0.71 0.00 0.00 54.79 52.01 1ckr n ASP 393 Cb 0.56 -1.59 -0.07 0.00 -0.02 0.00 0.00 41.12 40.00 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 1.85 5.00 0.03 2.53 -7.23 -1.26 -2.17 120.40 119.14 1ckr s VAL 394 Ca 0.44 -0.13 -0.18 0.00 -1.81 0.00 0.00 61.98 60.31 1ckr s VAL 394 Cb 0.00 -3.22 -0.06 0.00 0.56 0.00 0.00 36.38 33.67 1ckr s VAL 394 CO 0.01 0.50 0.51 0.28 -0.31 0.00 0.00 175.10 176.09 1ckr s THR 395 N -1.09 4.88 0.49 5.32 -1.32 -0.75 -4.86 115.64 118.31 1ckr s THR 395 Ca 0.19 1.08 0.14 0.00 -1.21 0.00 0.00 61.69 61.89 1ckr s THR 395 Cb -0.12 -3.84 0.27 0.00 -1.51 0.00 0.00 72.50 67.31 1ckr s THR 395 CO 0.09 0.53 2.12 1.55 -2.21 0.00 0.00 174.62 176.70 1ckr h PRO 396 N 4.85 0.13 -6.07 7.08 0.13 -1.95 -2.66 132.00 133.51 1ckr h PRO 396 Ca -0.49 -0.01 -0.54 0.00 -0.87 0.00 0.00 66.00 64.09 1ckr h PRO 396 Cb 1.21 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 1ckr h PRO 396 CO 0.64 0.09 -0.33 -1.17 -0.23 0.00 0.00 178.00 177.00 1ckr s LEU 397 N -9.16 3.02 -0.28 1.56 2.96 -1.26 -2.70 118.68 112.82 1ckr s LEU 397 Ca -0.06 -1.02 -0.09 0.00 -0.22 0.00 0.00 54.13 52.74 1ckr s LEU 397 Cb 0.17 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.27 1ckr s LEU 397 CO 0.69 -0.91 0.13 -0.94 -1.32 0.00 0.00 176.35 174.00 1ckr s SER 398 N -4.22 5.49 -0.22 3.68 1.04 -1.24 -4.13 113.70 114.10 1ckr s SER 398 Ca 0.42 -0.25 -0.08 0.00 0.48 0.00 0.00 55.95 56.52 1ckr s SER 398 Cb -0.02 -2.00 -0.04 0.00 0.10 0.00 0.00 66.02 64.06 1ckr s SER 398 CO 0.25 -0.09 0.09 -0.76 0.98 0.00 0.00 173.24 173.72 1ckr s LEU 399 N 1.65 3.74 0.00 2.42 1.43 -1.26 -2.64 118.68 124.03 1ckr s LEU 399 Ca 0.06 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1ckr s LEU 399 Cb -0.16 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.07 1ckr s LEU 399 CO 0.06 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.31 1ckr n GLY 400 N 4.31 5.22 3.00 -3.19 0.00 -1.09 -4.40 105.19 109.04 1ckr n GLY 400 Ca -0.16 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 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 0.96 0.00 -0.32 -0.61 -4.36 -1.10 -2.02 121.20 113.75 1ckr s ILE 401 Ca 0.00 -0.02 -0.24 0.00 -0.26 0.00 0.00 60.65 60.13 1ckr s ILE 401 Cb 0.00 -0.19 0.01 0.00 1.25 0.00 0.00 42.46 43.53 1ckr s ILE 401 CO 0.00 -0.01 0.84 -1.61 0.24 0.00 0.00 174.94 174.40 1ckr s GLU 402 N 0.03 3.93 0.09 0.37 2.02 0.55 -2.31 118.70 123.38 1ckr s GLU 402 Ca -0.00 0.60 0.06 0.00 0.02 0.00 0.00 54.97 55.65 1ckr s GLU 402 Cb -0.01 -3.75 -0.03 0.00 0.10 0.00 0.00 34.13 30.44 1ckr s GLU 402 CO 0.00 -0.77 -0.16 0.95 0.02 0.00 0.00 175.26 175.30 1ckr s THR 403 N 3.13 1.36 0.00 3.63 -4.23 0.34 -3.18 115.64 116.69 1ckr s THR 403 Ca 0.35 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 1ckr s THR 403 Cb -0.13 -1.33 0.00 0.00 1.34 0.00 0.00 72.50 72.38 1ckr s THR 403 CO 0.14 -0.21 0.00 0.00 -0.54 0.00 0.00 174.62 174.01 1ckr n ALA 404 N 1.06 0.00 0.90 3.99 0.00 -0.57 -2.06 120.51 123.82 1ckr n ALA 404 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 1ckr n ALA 404 Cb 0.54 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.00 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 2.08 2.24 0.00 0.00 -1.26 -4.82 105.19 103.43 1ckr n GLY 405 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 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 0.40 -2.16 3.35 -0.02 0.00 -0.87 -5.05 105.19 100.84 1ckr n GLY 406 Ca 0.03 0.46 -0.12 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.50 0.05 0.16 1.61 -7.23 -0.90 -4.20 120.40 108.39 1ckr s VAL 407 Ca 0.08 -0.38 -0.30 0.00 -1.81 0.00 0.00 61.98 59.57 1ckr s VAL 407 Cb -0.02 -1.06 -0.07 0.00 0.56 0.00 0.00 36.38 35.79 1ckr s VAL 407 CO 0.44 -0.21 1.01 -0.32 -0.31 0.00 0.00 175.10 175.71 1ckr s MET 408 N -3.24 4.69 -0.10 4.82 1.75 -1.20 -0.51 119.30 125.52 1ckr s MET 408 Ca -0.01 1.55 0.01 0.00 -1.25 0.00 0.00 55.69 55.99 1ckr s MET 408 Cb 0.00 -3.33 0.02 0.00 2.84 0.00 0.00 34.83 34.37 1ckr s MET 408 CO -0.08 0.22 -0.12 0.99 -0.65 0.00 0.00 175.02 175.38 1ckr s THR 409 N -0.28 1.22 -0.23 10.11 2.01 -0.98 -4.15 115.64 123.34 1ckr s THR 409 Ca 0.47 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1ckr s THR 409 Cb -0.26 -1.15 0.06 0.00 0.01 0.00 0.00 72.50 71.16 1ckr s THR 409 CO 0.32 0.39 -0.07 0.54 -0.69 0.00 0.00 174.62 175.10 1ckr s VAL 410 N 1.15 1.67 -0.25 3.82 0.11 -1.26 -2.72 120.40 122.92 1ckr s VAL 410 Ca -0.05 -1.26 0.20 0.00 -2.93 0.00 0.00 61.98 57.94 1ckr s VAL 410 Cb -0.14 -1.87 0.07 0.00 -1.53 0.00 0.00 36.38 32.91 1ckr s VAL 410 CO -0.03 -0.04 1.24 0.17 -3.33 0.00 0.00 175.10 173.11 1ckr h LEU 411 N 7.92 0.00 0.00 2.54 8.10 -1.99 -3.47 115.31 128.42 1ckr h LEU 411 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.79 1ckr h LEU 411 Cb 1.07 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.29 1ckr h LEU 411 CO 0.43 0.24 0.00 -0.38 -4.11 0.00 0.00 178.44 174.62 1ckr n ILE 412 N -2.96 0.00 -3.46 0.15 2.08 -1.26 -5.01 119.36 108.90 1ckr n ILE 412 Ca -0.01 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.18 1ckr n ILE 412 Cb 0.65 -1.82 -0.03 0.00 -0.75 0.00 0.00 39.64 37.69 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 -0.19 1.11 0.32 0.38 0.00 -1.26 -4.92 119.74 115.18 1ckr s LYS 413 Ca 0.00 -0.28 -0.27 0.00 0.00 0.00 0.00 55.97 55.42 1ckr s LYS 413 Cb 0.00 0.51 -0.09 0.00 0.00 0.00 0.00 37.83 38.25 1ckr s LYS 413 CO 0.00 -0.46 1.01 -0.98 0.00 0.00 0.00 175.35 174.92 1ckr s ARG 414 N -3.04 4.54 -1.21 1.78 1.70 -1.26 -3.52 118.95 117.94 1ckr s ARG 414 Ca -0.00 1.53 -0.03 0.00 -0.47 0.00 0.00 55.73 56.76 1ckr s ARG 414 Cb -0.01 -2.92 -0.01 0.00 -0.57 0.00 0.00 34.95 31.44 1ckr s ARG 414 CO -0.07 0.20 0.85 0.09 -1.08 0.00 0.00 175.30 175.29 1ckr n ASN 415 N 0.73 -2.68 -4.71 -2.89 3.02 -1.03 -4.96 115.26 102.74 1ckr n ASN 415 Ca 0.01 -0.74 -0.40 0.00 -0.03 0.00 0.00 54.58 53.42 1ckr n ASN 415 Cb 0.48 -4.60 -0.05 0.00 -0.61 0.00 0.00 39.78 35.01 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 -3.49 5.03 -0.97 3.41 -1.32 -1.06 -4.82 115.64 112.42 1ckr s THR 416 Ca 0.11 1.45 -0.24 0.00 -1.21 0.00 0.00 61.69 61.80 1ckr s THR 416 Cb -0.02 -4.05 -0.05 0.00 -1.51 0.00 0.00 72.50 66.88 1ckr s THR 416 CO 0.77 0.23 1.91 -0.89 -2.21 0.00 0.00 174.62 174.43 1ckr s THR 417 N 0.93 3.51 0.34 5.08 2.01 -1.26 -1.82 115.64 124.43 1ckr s THR 417 Ca 0.37 -0.52 -0.20 0.00 0.31 0.00 0.00 61.69 61.65 1ckr s THR 417 Cb -0.18 -4.20 -0.10 0.00 0.01 0.00 0.00 72.50 68.04 1ckr s THR 417 CO 0.18 -1.04 0.85 0.27 -0.69 0.00 0.00 174.62 174.19 1ckr s ILE 418 N 9.80 4.46 0.46 1.82 -4.36 -0.92 -4.35 121.20 128.11 1ckr s ILE 418 Ca 0.68 1.38 -0.24 0.00 -0.26 0.00 0.00 60.65 62.22 1ckr s ILE 418 Cb -0.05 -3.74 -0.07 0.00 1.25 0.00 0.00 42.46 39.85 1ckr s ILE 418 CO 0.01 -0.09 1.25 -2.16 0.24 0.00 0.00 174.94 174.19 1ckr s PRO 419 N -2.68 3.69 -0.15 0.37 0.04 -1.26 -4.66 135.00 130.35 1ckr s PRO 419 Ca 0.54 2.00 -0.07 0.00 0.04 0.00 0.00 61.00 63.50 1ckr s PRO 419 Cb -0.13 -2.49 0.06 0.00 0.04 0.00 0.00 34.50 31.98 1ckr s PRO 419 CO 0.18 -0.67 0.35 -0.08 0.04 0.00 0.00 177.00 176.82 1ckr s THR 420 N -1.40 -0.12 -0.46 1.26 -1.32 -1.11 -4.94 115.64 107.55 1ckr s THR 420 Ca 0.63 0.13 -0.11 0.00 -1.21 0.00 0.00 61.69 61.13 1ckr s THR 420 Cb -0.34 -0.53 0.10 0.00 -1.51 0.00 0.00 72.50 70.22 1ckr s THR 420 CO 0.42 0.05 0.35 -0.75 -2.21 0.00 0.00 174.62 172.48 1ckr s LYS 421 N 1.55 2.66 -0.15 7.08 2.20 -1.25 -0.97 119.74 130.87 1ckr s LYS 421 Ca -0.08 -1.60 -0.02 0.00 -0.36 0.00 0.00 55.97 53.91 1ckr s LYS 421 Cb -0.10 -3.96 -0.02 0.00 -1.51 0.00 0.00 37.83 32.24 1ckr s LYS 421 CO -0.11 -1.11 -0.09 -0.65 -0.36 0.00 0.00 175.35 173.03 1ckr s GLN 422 N 1.45 3.48 -0.42 4.03 -0.21 -0.55 -4.94 119.66 122.49 1ckr s GLN 422 Ca 0.04 -0.62 -0.07 0.00 0.02 0.00 0.00 55.36 54.73 1ckr s GLN 422 Cb -0.25 -2.77 0.10 0.00 1.00 0.00 0.00 33.01 31.08 1ckr s GLN 422 CO 0.02 0.17 0.25 0.95 -2.12 0.00 0.00 175.29 174.56 1ckr s THR 423 N 0.50 3.86 -0.34 -0.19 -4.23 -1.26 -0.79 115.64 113.19 1ckr s THR 423 Ca -0.06 -1.71 -0.13 0.00 -1.18 0.00 0.00 61.69 58.61 1ckr s THR 423 Cb -0.15 -3.49 -0.01 0.00 1.34 0.00 0.00 72.50 70.19 1ckr s THR 423 CO 0.04 -0.61 0.23 -1.58 -0.54 0.00 0.00 174.62 172.16 1ckr s GLN 424 N 1.31 3.41 -0.37 3.99 2.00 -1.02 -4.97 119.66 124.01 1ckr s GLN 424 Ca 0.05 -0.70 -0.25 0.00 -2.00 0.00 0.00 55.36 52.46 1ckr s GLN 424 Cb -0.24 -3.79 0.01 0.00 0.80 0.00 0.00 33.01 29.79 1ckr s GLN 424 CO -0.01 -0.48 0.88 0.99 -0.50 0.00 0.00 175.29 176.18 1ckr s THR 425 N 1.70 4.62 0.11 -0.34 2.01 -1.26 -1.37 115.64 121.12 1ckr s THR 425 Ca 0.06 1.06 -0.00 0.00 0.31 0.00 0.00 61.69 63.12 1ckr s THR 425 Cb -0.18 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 1ckr s THR 425 CO 0.10 -0.52 0.28 -0.36 -0.69 0.00 0.00 174.62 173.42 1ckr s PHE 426 N 3.37 3.50 0.00 4.92 0.40 0.31 -4.97 117.98 125.52 1ckr s PHE 426 Ca 0.36 0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.98 1ckr s PHE 426 Cb -0.12 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.61 1ckr s PHE 426 CO 0.19 0.52 0.00 -2.37 0.70 0.00 0.00 175.22 174.26 1ckr n THR 427 N -0.03 0.00 -4.25 0.64 5.66 0.83 -0.17 114.28 116.95 1ckr n THR 427 Ca -0.05 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.81 1ckr n THR 427 Cb 0.52 -0.36 -0.10 0.00 -1.55 0.00 0.00 70.33 68.84 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 2.43 0.87 0.00 1.09 -4.23 -0.74 -4.11 115.64 110.95 1ckr s THR 428 Ca 0.00 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1ckr s THR 428 Cb 0.00 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.78 1ckr s THR 428 CO 0.00 -0.55 0.00 0.00 -0.54 0.00 0.00 174.62 173.53 1ckr n TYR 429 N -0.25 0.00 -0.76 3.99 9.36 -1.25 -2.34 117.16 125.91 1ckr n TYR 429 Ca -0.08 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.82 1ckr n TYR 429 Cb 0.62 0.00 0.14 0.00 -0.63 0.00 0.00 39.34 39.47 1ckr n TYR 429 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1ckr n SER 430 N -0.65 -1.66 -4.65 2.98 7.64 -1.26 -3.68 113.62 112.33 1ckr n SER 430 Ca 0.00 0.31 -0.43 0.00 1.01 0.00 0.00 58.87 59.76 1ckr n SER 430 Cb 0.00 -1.24 -0.02 0.00 -1.01 0.00 0.00 64.21 61.93 1ckr n SER 430 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1ckr s ASP 431 N -2.13 6.72 0.02 6.43 1.01 -1.26 -4.06 116.67 123.39 1ckr s ASP 431 Ca 0.59 1.94 0.00 0.00 0.71 0.00 0.00 52.55 55.78 1ckr s ASP 431 Cb -0.21 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.19 1ckr s ASP 431 CO 0.66 -0.92 0.00 -0.46 0.21 0.00 0.00 175.17 174.65 1ckr n ASN 432 N 7.16 -5.94 -3.21 0.27 0.23 -0.04 -4.91 115.26 108.81 1ckr n ASN 432 Ca 0.16 0.96 -0.11 0.00 -0.53 0.00 0.00 54.58 55.07 1ckr n ASN 432 Cb 0.44 -3.20 0.04 0.00 -2.08 0.00 0.00 39.78 34.99 1ckr n ASN 432 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 1ckr n GLN 433 N 0.96 -1.84 -2.70 -3.83 7.27 -1.26 -4.94 117.38 111.04 1ckr n GLN 433 Ca 0.00 1.08 -0.43 0.00 0.07 0.00 0.00 57.00 57.72 1ckr n GLN 433 Cb 0.00 -5.65 -0.03 0.00 2.41 0.00 0.00 30.24 26.97 1ckr n GLN 433 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1ckr s PRO 434 N -3.97 3.80 0.36 3.69 0.02 -1.26 -4.86 135.00 132.78 1ckr s PRO 434 Ca 0.28 0.62 -0.28 0.00 0.02 0.00 0.00 61.00 61.64 1ckr s PRO 434 Cb -0.04 -3.85 -0.10 0.00 0.02 0.00 0.00 34.50 30.53 1ckr s PRO 434 CO 0.75 -1.14 1.31 0.20 -0.33 0.00 0.00 177.00 177.79 1ckr s GLY 435 N 2.10 2.97 -0.11 0.52 0.00 -1.26 -4.92 107.32 106.61 1ckr s GLY 435 Ca 0.43 1.26 0.01 0.00 0.00 0.00 0.00 44.72 46.42 1ckr s GLY 435 CO 0.24 1.89 -0.14 -1.34 0.00 0.00 0.00 173.10 173.75 1ckr s VAL 436 N -1.19 3.01 -0.40 1.40 -7.23 0.14 -4.96 120.40 111.17 1ckr s VAL 436 Ca 0.52 -0.69 -0.19 0.00 -1.81 0.00 0.00 61.98 59.81 1ckr s VAL 436 Cb -0.39 -2.25 0.01 0.00 0.56 0.00 0.00 36.38 34.32 1ckr s VAL 436 CO 0.52 0.54 0.57 -0.22 -0.31 0.00 0.00 175.10 176.20 1ckr s LEU 437 N 0.16 4.50 -0.16 1.32 1.98 -1.26 -0.77 118.68 124.45 1ckr s LEU 437 Ca -0.08 -0.28 -0.08 0.00 -2.89 0.00 0.00 54.13 50.81 1ckr s LEU 437 Cb -0.15 -2.63 -0.04 0.00 0.66 0.00 0.00 46.19 44.02 1ckr s LEU 437 CO 0.05 -0.65 0.09 -0.63 -1.89 0.00 0.00 176.35 173.32 1ckr s ILE 438 N 2.58 5.08 -0.19 6.68 -1.09 0.33 -4.66 121.20 129.91 1ckr s ILE 438 Ca 0.20 0.06 0.01 0.00 -2.23 0.00 0.00 60.65 58.69 1ckr s ILE 438 Cb -0.15 -3.27 0.04 0.00 -1.58 0.00 0.00 42.46 37.50 1ckr s ILE 438 CO 0.16 0.50 -0.12 -1.10 -1.23 0.00 0.00 174.94 173.16 1ckr s GLN 439 N -0.06 2.16 0.05 2.79 -0.21 -1.19 -1.19 119.66 122.00 1ckr s GLN 439 Ca 0.08 -0.83 -0.28 0.00 0.02 0.00 0.00 55.36 54.35 1ckr s GLN 439 Cb -0.12 -2.41 -0.05 0.00 1.00 0.00 0.00 33.01 31.43 1ckr s GLN 439 CO 0.01 -0.39 0.88 0.08 -2.12 0.00 0.00 175.29 173.75 1ckr s VAL 440 N 1.38 4.69 -0.07 1.09 1.01 -1.19 -0.33 120.40 126.98 1ckr s VAL 440 Ca -0.00 1.88 -0.01 0.00 0.00 0.00 0.00 61.98 63.85 1ckr s VAL 440 Cb -0.16 -4.23 0.03 0.00 0.00 0.00 0.00 36.38 32.02 1ckr s VAL 440 CO -0.09 0.30 -0.02 -0.31 0.00 0.00 0.00 175.10 174.98 1ckr s TYR 441 N 0.24 0.81 -0.48 5.22 1.51 -0.85 -0.88 117.35 122.91 1ckr s TYR 441 Ca 0.44 -0.26 -0.20 0.00 -1.01 0.00 0.00 57.07 56.04 1ckr s TYR 441 Cb -0.21 -0.84 0.04 0.00 -0.11 0.00 0.00 41.96 40.84 1ckr s TYR 441 CO 0.26 -0.33 0.67 -2.00 -1.11 0.00 0.00 175.55 173.04 1ckr s GLU 442 N 1.71 3.22 0.00 -0.62 2.12 -0.32 -2.67 118.70 122.14 1ckr s GLU 442 Ca 0.02 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 54.77 1ckr s GLU 442 Cb -0.13 -4.02 0.00 0.00 0.26 0.00 0.00 34.13 30.24 1ckr s GLU 442 CO -0.05 -1.15 0.00 0.41 -0.54 0.00 0.00 175.26 173.94 1ckr n GLY 443 N 5.10 2.67 0.00 -1.50 0.00 -1.08 -0.65 105.19 109.74 1ckr n GLY 443 Ca -0.03 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -4.13 120.64 117.65 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 -1.98 3.44 5.12 -1.26 -4.63 116.66 117.35 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 -1.01 -3.04 7.54 0.00 -1.26 -4.82 120.51 117.92 1ckr n ALA 446 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ckr n ALA 446 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.33 0.03 -2.59 0.00 3.85 -1.26 -4.72 117.12 112.10 1ckr n MET 447 Ca -0.00 -0.07 -0.21 0.00 -1.00 0.00 0.00 57.70 56.42 1ckr n MET 447 Cb 0.01 0.09 0.01 0.00 -1.05 0.00 0.00 33.22 32.27 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 -0.03 1.87 0.00 3.17 -2.24 -1.26 -3.22 114.28 112.57 1ckr n THR 448 Ca -0.00 -4.35 0.00 0.00 -2.27 0.00 0.00 64.05 57.43 1ckr n THR 448 Cb 0.03 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 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 -0.30 1.65 -1.01 -0.78 0.00 -1.26 -4.87 118.16 111.59 1ckr n LYS 449 Ca 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.45 1ckr n LYS 449 Cb 0.70 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.65 1ckr n LYS 449 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ckr n ASP 450 N 0.00 5.75 -4.71 3.14 8.00 -1.26 -4.95 116.55 122.51 1ckr n ASP 450 Ca 0.00 -2.73 -0.38 0.00 0.71 0.00 0.00 54.79 52.39 1ckr n ASP 450 Cb 0.00 -1.26 -0.06 0.00 -0.02 0.00 0.00 41.12 39.77 1ckr n ASP 450 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ckr s ASN 451 N 1.32 6.64 -0.59 -2.24 6.03 -1.26 -4.63 114.94 120.21 1ckr s ASN 451 Ca 0.47 0.77 -0.24 0.00 -1.03 0.00 0.00 52.86 52.82 1ckr s ASN 451 Cb 0.26 -2.28 0.05 0.00 -3.03 0.00 0.00 41.25 36.25 1ckr s ASN 451 CO -0.06 -0.01 0.99 0.20 -2.03 0.00 0.00 177.10 176.19 1ckr s ASN 452 N 0.68 6.29 -0.16 3.54 -0.87 0.18 -4.73 114.94 119.88 1ckr s ASN 452 Ca 0.25 -0.49 -0.29 0.00 -1.57 0.00 0.00 52.86 50.76 1ckr s ASN 452 Cb -0.15 -2.45 -0.05 0.00 -0.02 0.00 0.00 41.25 38.58 1ckr s ASN 452 CO 0.10 -1.35 1.96 -0.22 -2.57 0.00 0.00 177.10 175.02 1ckr s LEU 453 N 4.19 3.84 -0.18 0.60 0.20 -1.26 -1.17 118.68 124.90 1ckr s LEU 453 Ca 0.29 2.00 0.01 0.00 0.69 0.00 0.00 54.13 57.12 1ckr s LEU 453 Cb -0.13 -3.52 0.03 0.00 -0.43 0.00 0.00 46.19 42.14 1ckr s LEU 453 CO 0.17 -1.50 -0.12 -0.76 -0.29 0.00 0.00 176.35 173.85 1ckr s LEU 454 N 6.31 2.08 0.00 -0.68 1.02 -0.06 -4.66 118.68 122.69 1ckr s LEU 454 Ca 0.88 -0.75 0.00 0.00 0.02 0.00 0.00 54.13 54.28 1ckr s LEU 454 Cb -0.33 -1.23 0.00 0.00 0.02 0.00 0.00 46.19 44.66 1ckr s LEU 454 CO 0.35 -0.11 0.00 0.61 0.02 0.00 0.00 176.35 177.22 1ckr n GLY 455 N 4.71 1.01 1.48 -3.19 0.00 -1.26 -3.14 105.19 104.79 1ckr n GLY 455 Ca -0.16 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1ckr n GLY 455 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ckr n LYS 456 N 0.00 -4.17 -3.74 1.61 2.85 -1.26 -4.94 118.16 108.51 1ckr n LYS 456 Ca 0.00 3.13 -0.10 0.00 -1.05 0.00 0.00 58.31 60.29 1ckr n LYS 456 Cb 0.00 -3.60 -0.06 0.00 -0.65 0.00 0.00 35.03 30.72 1ckr n LYS 456 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 1ckr s PHE 457 N -3.74 -0.07 -0.17 5.58 -0.71 -0.34 -4.99 117.98 113.54 1ckr s PHE 457 Ca 0.00 -0.22 -0.03 0.00 -1.04 0.00 0.00 56.93 55.64 1ckr s PHE 457 Cb 0.00 0.11 -0.02 0.00 -1.21 0.00 0.00 43.02 41.90 1ckr s PHE 457 CO 0.00 -0.59 -0.04 -2.00 -1.34 0.00 0.00 175.22 171.25 1ckr s GLU 458 N -3.37 3.56 -0.15 1.99 2.12 -1.26 -0.52 118.70 121.06 1ckr s GLU 458 Ca 0.01 -0.57 -0.02 0.00 0.36 0.00 0.00 54.97 54.75 1ckr s GLU 458 Cb 0.02 -2.93 -0.02 0.00 0.26 0.00 0.00 34.13 31.46 1ckr s GLU 458 CO -0.09 0.10 -0.08 -1.17 -0.54 0.00 0.00 175.26 173.48 1ckr s LEU 459 N 0.73 2.97 -0.01 2.70 1.98 0.05 -5.01 118.68 122.09 1ckr s LEU 459 Ca -0.02 -0.24 -0.16 0.00 -2.89 0.00 0.00 54.13 50.82 1ckr s LEU 459 Cb -0.15 -1.70 0.03 0.00 0.66 0.00 0.00 46.19 45.03 1ckr s LEU 459 CO 0.02 0.15 0.33 0.42 -1.89 0.00 0.00 176.35 175.38 1ckr s THR 460 N 0.45 0.05 0.00 3.68 -4.23 -1.26 -0.68 115.64 113.65 1ckr s THR 460 Ca -0.06 -0.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 1ckr s THR 460 Cb -0.15 -0.63 0.00 0.00 1.34 0.00 0.00 72.50 73.06 1ckr s THR 460 CO 0.04 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1ckr n GLY 461 N 1.25 0.45 3.89 3.99 0.00 -1.26 -5.08 105.19 108.43 1ckr n GLY 461 Ca -0.21 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 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 5.18 -0.02 -0.61 -1.09 -1.26 -4.89 121.20 118.51 1ckr s ILE 462 Ca 0.00 0.12 -0.30 0.00 -2.23 0.00 0.00 60.65 58.24 1ckr s ILE 462 Cb 0.00 -3.62 -0.06 0.00 -1.58 0.00 0.00 42.46 37.21 1ckr s ILE 462 CO 0.00 0.15 1.52 -2.16 -1.23 0.00 0.00 174.94 173.21 1ckr s PRO 463 N -2.35 4.23 -1.24 2.79 0.04 -1.26 -4.66 135.00 132.54 1ckr s PRO 463 Ca 0.37 2.08 -0.18 0.00 0.04 0.00 0.00 61.00 63.31 1ckr s PRO 463 Cb -0.13 -3.74 0.08 0.00 0.04 0.00 0.00 34.50 30.76 1ckr s PRO 463 CO 0.22 -0.71 1.64 -1.25 0.04 0.00 0.00 177.00 176.94 1ckr s PRO 464 N 3.10 3.94 0.51 0.56 0.04 -1.26 -4.34 135.00 137.56 1ckr s PRO 464 Ca 0.68 -1.96 0.08 0.00 0.04 0.00 0.00 61.00 59.84 1ckr s PRO 464 Cb -0.33 -5.43 0.05 0.00 0.04 0.00 0.00 34.50 28.83 1ckr s PRO 464 CO 0.27 -2.17 0.63 0.00 0.04 0.00 0.00 177.00 175.78 1ckr s ALA 465 N 3.91 4.55 0.76 8.56 0.00 -1.26 -4.75 121.76 133.53 1ckr s ALA 465 Ca 0.51 -1.87 -0.11 0.00 0.00 0.00 0.00 51.96 50.48 1ckr s ALA 465 Cb 0.02 -1.36 0.05 0.00 0.00 0.00 0.00 23.12 21.83 1ckr s ALA 465 CO 0.04 -0.58 1.10 -2.14 0.00 0.00 0.00 175.76 174.18 1ckr s PRO 466 N -4.47 2.41 -0.24 0.00 0.02 -1.26 -0.86 135.00 130.60 1ckr s PRO 466 Ca 0.55 0.57 -0.29 0.00 0.02 0.00 0.00 61.00 61.85 1ckr s PRO 466 Cb -0.06 -1.96 -0.13 0.00 0.02 0.00 0.00 34.50 32.37 1ckr s PRO 466 CO 0.34 -1.37 0.93 -2.13 -0.33 0.00 0.00 177.00 174.44 1ckr n ARG 467 N -3.25 0.00 -0.42 5.54 3.00 -1.26 -0.88 116.66 119.40 1ckr n ARG 467 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 1ckr n ARG 467 Cb 0.57 -0.95 0.00 0.00 0.00 0.00 0.00 32.46 32.08 1ckr n ARG 467 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ckr n GLY 468 N 2.16 1.96 0.14 5.14 0.00 -0.99 -4.93 105.19 108.68 1ckr n GLY 468 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 1.43 -1.71 1.61 0.31 -0.05 -4.62 118.33 113.30 1ckr n VAL 469 Ca 0.00 -0.48 -0.43 0.00 -0.01 0.00 0.00 64.34 63.42 1ckr n VAL 469 Cb 0.00 -1.55 -0.03 0.00 -0.91 0.00 0.00 33.84 31.35 1ckr n VAL 469 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1ckr n PRO 470 N -3.57 2.47 -3.86 5.55 -0.02 -1.26 -4.89 135.00 129.43 1ckr n PRO 470 Ca -0.47 0.89 -0.09 0.00 -2.02 0.00 0.00 63.50 61.81 1ckr n PRO 470 Cb 0.93 -2.65 -0.07 0.00 -0.02 0.00 0.00 33.50 31.69 1ckr n PRO 470 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1ckr s GLN 471 N 0.18 0.91 -0.04 -0.52 -2.07 -1.26 -1.79 119.66 115.06 1ckr s GLN 471 Ca 0.70 -0.98 -0.02 0.00 -1.82 0.00 0.00 55.36 53.25 1ckr s GLN 471 Cb -0.57 0.36 0.03 0.00 -1.09 0.00 0.00 33.01 31.74 1ckr s GLN 471 CO 0.43 -0.30 0.09 0.96 -1.32 0.00 0.00 175.29 175.14 1ckr s ILE 472 N -3.87 -0.04 -0.62 3.63 -0.00 0.76 -4.53 121.20 116.52 1ckr s ILE 472 Ca 0.07 0.13 -0.24 0.00 -0.00 0.00 0.00 60.65 60.61 1ckr s ILE 472 Cb 0.04 -0.15 0.05 0.00 -0.00 0.00 0.00 42.46 42.41 1ckr s ILE 472 CO -0.09 0.05 0.98 -0.70 -0.00 0.00 0.00 174.94 175.18 1ckr s GLU 473 N 0.76 3.20 -0.85 0.37 2.56 0.30 -0.53 118.70 124.52 1ckr s GLU 473 Ca -0.06 -0.56 -0.25 0.00 0.00 0.00 0.00 54.97 54.10 1ckr s GLU 473 Cb -0.08 -4.15 0.03 0.00 2.00 0.00 0.00 34.13 31.93 1ckr s GLU 473 CO -0.03 -1.72 1.39 0.08 -0.56 0.00 0.00 175.26 174.42 1ckr s VAL 474 N 4.17 3.77 -0.09 3.70 1.01 -0.47 -1.08 120.40 131.42 1ckr s VAL 474 Ca 0.26 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 1ckr s VAL 474 Cb -0.14 -4.91 -0.05 0.00 0.00 0.00 0.00 36.38 31.28 1ckr s VAL 474 CO 0.14 -1.83 0.38 -0.89 0.00 0.00 0.00 175.10 172.91 1ckr s THR 475 N 5.70 5.18 -0.43 3.92 2.01 0.53 -2.44 115.64 130.11 1ckr s THR 475 Ca 0.41 0.76 0.02 0.00 0.31 0.00 0.00 61.69 63.20 1ckr s THR 475 Cb -0.05 -3.71 0.12 0.00 0.01 0.00 0.00 72.50 68.87 1ckr s THR 475 CO 0.05 0.44 0.18 -0.36 -0.69 0.00 0.00 174.62 174.24 1ckr s PHE 476 N -0.05 3.54 -0.60 4.92 0.40 0.03 0.10 117.98 126.31 1ckr s PHE 476 Ca 0.22 -2.93 -0.14 0.00 -0.60 0.00 0.00 56.93 53.48 1ckr s PHE 476 Cb -0.15 -2.98 0.15 0.00 0.51 0.00 0.00 43.02 40.55 1ckr s PHE 476 CO 0.09 -0.88 0.54 0.34 0.70 0.00 0.00 175.22 176.01 1ckr s ASP 477 N 0.70 6.23 0.05 1.36 2.15 -0.71 -1.49 116.67 124.97 1ckr s ASP 477 Ca 0.13 -2.06 -0.23 0.00 0.43 0.00 0.00 52.55 50.82 1ckr s ASP 477 Cb -0.22 -2.17 -0.06 0.00 -0.30 0.00 0.00 42.92 40.17 1ckr s ASP 477 CO -0.05 -0.75 0.70 -0.63 -0.17 0.00 0.00 175.17 174.27 1ckr s ILE 478 N 1.17 4.74 0.24 4.11 1.01 -0.14 -0.97 121.20 131.36 1ckr s ILE 478 Ca 0.07 1.49 -0.12 0.00 0.00 0.00 0.00 60.65 62.09 1ckr s ILE 478 Cb -0.24 -4.05 -0.08 0.00 0.01 0.00 0.00 42.46 38.10 1ckr s ILE 478 CO -0.01 0.41 0.61 -1.81 0.00 0.00 0.00 174.94 174.14 1ckr s ASP 479 N -0.29 6.72 0.61 3.58 1.01 0.67 -2.74 116.67 126.23 1ckr s ASP 479 Ca 0.35 1.07 0.27 0.00 0.71 0.00 0.00 52.55 54.96 1ckr s ASP 479 Cb -0.20 -2.29 1.33 0.00 1.01 0.00 0.00 42.92 42.78 1ckr s ASP 479 CO 0.21 -0.07 1.75 0.00 0.21 0.00 0.00 175.17 177.27 1ckr h ALA 480 N 2.68 2.19 -0.64 5.23 0.00 -1.87 -2.17 119.26 124.69 1ckr h ALA 480 Ca -0.47 -0.02 -0.43 0.00 0.00 0.00 0.00 54.91 53.99 1ckr h ALA 480 Cb 1.18 0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.82 1ckr h ALA 480 CO 0.67 -0.87 0.55 0.09 0.00 0.00 0.00 179.25 179.70 1ckr n ASN 481 N -3.44 6.64 -4.00 0.00 3.02 -1.26 -4.82 115.26 111.40 1ckr n ASN 481 Ca 0.09 -3.28 -0.30 0.00 -0.03 0.00 0.00 54.58 51.06 1ckr n ASN 481 Cb 0.81 -1.01 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 1ckr n ASN 481 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ckr n GLY 482 N -0.08 -0.41 3.36 7.41 0.00 -0.84 -4.84 105.19 109.78 1ckr n GLY 482 Ca 0.40 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.45 4.01 -0.49 -0.61 1.01 -1.08 -4.36 121.20 116.24 1ckr s ILE 483 Ca 0.50 -0.62 -0.26 0.00 0.00 0.00 0.00 60.65 60.27 1ckr s ILE 483 Cb -0.26 -3.04 0.03 0.00 0.01 0.00 0.00 42.46 39.20 1ckr s ILE 483 CO 0.87 0.12 0.97 -0.22 0.00 0.00 0.00 174.94 176.67 1ckr s LEU 484 N 1.52 3.95 -1.13 2.97 0.20 -0.65 -0.24 118.68 125.29 1ckr s LEU 484 Ca 0.03 0.07 -0.16 0.00 0.69 0.00 0.00 54.13 54.77 1ckr s LEU 484 Cb -0.17 -3.17 0.15 0.00 -0.43 0.00 0.00 46.19 42.58 1ckr s LEU 484 CO 0.03 -1.13 1.36 0.21 -0.29 0.00 0.00 176.35 176.52 1ckr s ASN 485 N 2.43 6.92 -0.20 3.68 3.84 -0.14 -0.44 114.94 131.03 1ckr s ASN 485 Ca 0.37 -2.66 -0.22 0.00 0.21 0.00 0.00 52.86 50.57 1ckr s ASN 485 Cb -0.10 -2.41 -0.02 0.00 -0.55 0.00 0.00 41.25 38.17 1ckr s ASN 485 CO 0.26 -0.88 0.67 -0.69 -2.79 0.00 0.00 177.10 173.67 1ckr s VAL 486 N 2.10 4.99 0.31 -5.21 1.01 0.02 -1.73 120.40 121.89 1ckr s VAL 486 Ca 0.40 1.28 0.10 0.00 0.00 0.00 0.00 61.98 63.76 1ckr s VAL 486 Cb -0.03 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1ckr s VAL 486 CO -0.03 0.08 -0.10 -0.55 0.00 0.00 0.00 175.10 174.51 1ckr s SER 487 N 1.21 3.89 -0.06 3.32 0.15 0.11 -1.07 113.70 121.26 1ckr s SER 487 Ca 0.30 -1.02 -0.01 0.00 0.70 0.00 0.00 55.95 55.92 1ckr s SER 487 Cb -0.16 -0.44 0.03 0.00 -1.71 0.00 0.00 66.02 63.74 1ckr s SER 487 CO 0.10 -0.10 0.02 0.00 1.20 0.00 0.00 173.24 174.47 1ckr s ALA 488 N -2.52 0.52 -0.15 5.45 0.00 -0.88 -0.35 121.76 123.84 1ckr s ALA 488 Ca 0.32 -0.00 0.01 0.00 0.00 0.00 0.00 51.96 52.29 1ckr s ALA 488 Cb -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.44 1ckr s ALA 488 CO 0.17 -0.43 -0.17 0.08 0.00 0.00 0.00 175.76 175.41 1ckr s VAL 489 N 1.93 2.45 -1.15 0.00 1.01 -0.24 -2.68 120.40 121.72 1ckr s VAL 489 Ca 0.03 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 61.01 1ckr s VAL 489 Cb -0.12 -2.02 0.14 0.00 0.00 0.00 0.00 36.38 34.38 1ckr s VAL 489 CO -0.04 0.53 1.42 -1.81 0.00 0.00 0.00 175.10 175.20 1ckr s ASP 490 N 0.86 6.91 0.18 3.32 1.01 0.71 -0.54 116.67 129.11 1ckr s ASP 490 Ca -0.05 -2.62 -0.04 0.00 0.71 0.00 0.00 52.55 50.55 1ckr s ASP 490 Cb -0.15 -2.44 0.07 0.00 1.01 0.00 0.00 42.92 41.41 1ckr s ASP 490 CO -0.01 -0.93 1.47 0.07 0.21 0.00 0.00 175.17 175.98 1ckr h LYS 491 N 7.72 0.55 -0.02 8.23 5.09 -1.80 -0.62 116.57 135.72 1ckr h LYS 491 Ca 0.30 -0.38 0.01 0.00 0.09 0.00 0.00 60.65 60.67 1ckr h LYS 491 Cb 0.91 0.06 -0.00 0.00 0.10 0.00 0.00 32.23 33.30 1ckr h LYS 491 CO 1.26 1.00 0.02 0.77 -2.09 0.00 0.00 179.45 180.40 1ckr h SER 492 N 0.41 0.00 0.64 7.07 0.02 -1.90 -2.33 113.55 117.45 1ckr h SER 492 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1ckr h SER 492 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1ckr h SER 492 CO 0.11 0.00 -0.24 0.41 -1.14 0.00 0.00 176.83 175.97 1ckr n THR 493 N -4.47 0.00 -3.77 -2.27 -1.04 -0.97 -5.02 114.28 96.73 1ckr n THR 493 Ca -0.03 -0.02 -0.35 0.00 -2.04 0.00 0.00 64.05 61.62 1ckr n THR 493 Cb 0.11 -0.07 0.04 0.00 -1.82 0.00 0.00 70.33 68.59 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 1.45 -0.98 2.70 3.41 0.00 -0.28 -5.02 105.19 106.48 1ckr n GLY 494 Ca 0.08 0.43 -0.21 0.00 0.00 0.00 0.00 46.02 46.32 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 -6.25 0.12 0.08 1.61 2.47 -0.96 -5.03 119.74 111.79 1ckr s LYS 495 Ca 0.46 0.14 0.04 0.00 -1.56 0.00 0.00 55.97 55.05 1ckr s LYS 495 Cb -0.19 -1.34 -0.03 0.00 -1.46 0.00 0.00 37.83 34.81 1ckr s LYS 495 CO 0.89 -0.62 -0.12 -1.83 0.16 0.00 0.00 175.35 173.83 1ckr s GLU 496 N 2.25 0.82 -0.00 4.03 -1.05 -1.26 -0.21 118.70 123.28 1ckr s GLU 496 Ca 0.05 -1.03 0.03 0.00 -0.15 0.00 0.00 54.97 53.86 1ckr s GLU 496 Cb -0.15 -0.67 -0.01 0.00 -0.44 0.00 0.00 34.13 32.85 1ckr s GLU 496 CO -0.10 0.13 -0.08 -0.80 0.95 0.00 0.00 175.26 175.36 1ckr s ASN 497 N -2.03 0.98 0.03 0.83 -0.87 -1.09 -4.99 114.94 107.79 1ckr s ASN 497 Ca 0.01 -0.17 0.01 0.00 -1.57 0.00 0.00 52.86 51.13 1ckr s ASN 497 Cb -0.07 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.25 41.04 1ckr s ASN 497 CO 0.01 0.09 -0.05 -1.59 -2.57 0.00 0.00 177.10 172.99 1ckr s LYS 498 N -0.27 0.39 -0.09 -0.60 -2.85 -1.26 -2.07 119.74 112.99 1ckr s LYS 498 Ca 0.03 -0.64 0.03 0.00 -1.00 0.00 0.00 55.97 54.39 1ckr s LYS 498 Cb -0.04 -0.07 -0.01 0.00 -2.06 0.00 0.00 37.83 35.66 1ckr s LYS 498 CO -0.00 -0.00 -0.20 -1.50 0.10 0.00 0.00 175.35 173.74 1ckr s ILE 499 N -1.35 2.47 -0.46 3.79 2.07 -0.23 -4.97 121.20 122.52 1ckr s ILE 499 Ca -0.13 -0.89 -0.15 0.00 -1.41 0.00 0.00 60.65 58.07 1ckr s ILE 499 Cb -0.10 -1.97 0.06 0.00 0.13 0.00 0.00 42.46 40.59 1ckr s ILE 499 CO -0.00 0.56 0.37 -0.89 -1.91 0.00 0.00 174.94 173.06 1ckr s THR 500 N 0.07 5.15 -0.34 4.00 2.01 -1.26 -0.80 115.64 124.47 1ckr s THR 500 Ca -0.09 -1.03 -0.19 0.00 0.31 0.00 0.00 61.69 60.70 1ckr s THR 500 Cb -0.15 -4.04 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 1ckr s THR 500 CO 0.05 -0.53 0.56 -0.63 -0.69 0.00 0.00 174.62 173.38 1ckr s ILE 501 N 1.63 4.98 0.07 1.82 1.01 0.41 -4.94 121.20 126.19 1ckr s ILE 501 Ca 0.04 0.51 -0.28 0.00 0.00 0.00 0.00 60.65 60.92 1ckr s ILE 501 Cb -0.23 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 1ckr s ILE 501 CO 0.07 -0.20 0.89 0.42 0.00 0.00 0.00 174.94 176.12 1ckr s THR 502 N 2.49 4.62 -1.32 2.92 -4.23 -1.26 -1.64 115.64 117.22 1ckr s THR 502 Ca 0.21 1.91 -0.16 0.00 -1.18 0.00 0.00 61.69 62.47 1ckr s THR 502 Cb -0.15 -4.25 0.01 0.00 1.34 0.00 0.00 72.50 69.45 1ckr s THR 502 CO 0.13 0.32 2.11 -3.20 -0.54 0.00 0.00 174.62 173.43 1ckr n ASN 503 N 2.92 3.77 -0.05 3.99 2.85 -1.26 -4.47 115.26 123.01 1ckr n ASN 503 Ca 0.01 -2.82 -0.06 0.00 -0.11 0.00 0.00 54.58 51.60 1ckr n ASN 503 Cb 0.50 -1.59 -0.07 0.00 1.24 0.00 0.00 39.78 39.86 1ckr n ASN 503 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1ckr n ASP 504 N 6.88 2.74 -4.18 1.20 8.00 -1.26 -4.62 116.55 125.31 1ckr n ASP 504 Ca 0.51 -0.02 -0.43 0.00 0.71 0.00 0.00 54.79 55.55 1ckr n ASP 504 Cb 0.40 0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 1ckr n ASP 504 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ckr n LYS 505 N -2.54 3.47 0.00 -1.24 5.02 -1.26 -4.54 118.16 117.07 1ckr n LYS 505 Ca -0.18 -3.65 0.00 0.00 -2.02 0.00 0.00 58.31 52.46 1ckr n LYS 505 Cb 0.79 -3.01 0.00 0.00 -0.02 0.00 0.00 35.03 32.79 1ckr n LYS 505 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ckr n GLY 506 N 3.55 -1.45 4.38 0.72 0.00 -1.26 -4.21 105.19 106.92 1ckr n GLY 506 Ca 0.39 0.66 0.00 0.00 0.00 0.00 0.00 46.02 47.07 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 0.00 0.00 1.61 3.00 -1.26 -4.91 116.66 115.10 1ckr n ARG 506 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1ckr n ARG 506 Cb 0.00 -4.07 0.00 0.00 0.00 0.00 0.00 32.46 28.39 1ckr n ARG 506 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1ckr n LEU 507 N 0.00 0.00 0.00 0.55 -0.00 -1.26 -4.91 117.00 111.38 1ckr n LEU 507 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1ckr n LEU 507 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ckr n LEU 507 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 177.39 177.15 1ckr n SER 508 N -2.09 0.00 -0.26 1.45 2.88 -1.26 -2.74 113.62 111.60 1ckr n SER 508 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1ckr n SER 508 Cb 0.00 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.66 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 0.35 0.40 -1.46 -0.00 -1.99 -1.84 116.57 112.02 1ckr h LYS 509 Ca 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.65 60.61 1ckr h LYS 509 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 32.23 32.16 1ckr h LYS 509 CO 0.00 0.23 -0.19 1.05 -0.00 0.00 0.00 179.45 180.54 1ckr h GLU 510 N 0.36 -0.51 -0.14 0.07 4.11 -1.99 -2.73 114.58 113.75 1ckr h GLU 510 Ca 0.43 0.04 -0.17 0.00 0.07 0.00 0.00 59.36 59.72 1ckr h GLU 510 Cb 0.71 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1ckr h GLU 510 CO -0.46 -0.22 -0.64 0.22 0.07 0.00 0.00 179.01 177.98 1ckr h ASP 511 N -0.79 0.58 0.16 3.06 3.58 -1.45 -2.89 116.42 118.67 1ckr h ASP 511 Ca -0.05 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.04 1ckr h ASP 511 Cb 0.53 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1ckr h ASP 511 CO 0.09 1.07 -0.08 0.40 -2.88 0.00 0.00 179.24 177.84 1ckr h ILE 512 N 0.37 0.98 -0.76 2.25 5.03 -1.48 -2.45 117.51 121.44 1ckr h ILE 512 Ca -0.01 -0.73 0.10 0.00 -0.12 0.00 0.00 64.86 64.09 1ckr h ILE 512 Cb 1.20 1.42 -0.07 0.00 -3.03 0.00 0.00 36.82 36.33 1ckr h ILE 512 CO 0.12 0.17 0.40 -0.08 -0.68 0.00 0.00 178.15 178.07 1ckr h GLU 513 N -0.57 0.64 -0.03 2.37 4.81 -1.56 -1.81 114.58 118.43 1ckr h GLU 513 Ca -0.02 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1ckr h GLU 513 Cb 0.44 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1ckr h GLU 513 CO 0.04 0.43 0.00 0.07 -0.73 0.00 0.00 179.01 178.81 1ckr h ARG 514 N 0.66 0.05 0.01 1.92 0.11 -1.60 -3.40 114.38 112.14 1ckr h ARG 514 Ca 0.38 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.45 1ckr h ARG 514 Cb 0.40 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.48 1ckr h ARG 514 CO -0.27 0.30 -0.01 0.52 0.10 0.00 0.00 179.97 180.61 1ckr h MET 515 N -0.22 -0.02 -1.83 0.08 2.86 -1.33 -3.39 114.93 111.09 1ckr h MET 515 Ca 0.01 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 1ckr h MET 515 Cb 0.28 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.88 1ckr h MET 515 CO 0.00 -0.01 0.14 1.33 1.06 0.00 0.00 176.91 179.43 1ckr n VAL 516 N -4.54 2.39 0.00 -2.22 0.24 -0.69 -0.09 118.33 113.41 1ckr n VAL 516 Ca -0.00 -1.06 0.00 0.00 -2.04 0.00 0.00 64.34 61.24 1ckr n VAL 516 Cb 0.01 -1.48 0.00 0.00 -1.47 0.00 0.00 33.84 30.90 1ckr n VAL 516 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ckr n GLN 517 N 1.13 0.00 0.12 7.34 6.02 -1.26 -4.58 117.38 126.14 1ckr n GLN 517 Ca 0.15 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.13 1ckr n GLN 517 Cb 0.56 -0.56 0.01 0.00 1.02 0.00 0.00 30.24 31.27 1ckr n GLN 517 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 1ckr h GLU 518 N 0.00 0.00 0.00 -1.09 4.11 -1.58 -3.37 114.58 112.65 1ckr h GLU 518 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ckr h GLU 518 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1ckr h GLU 518 CO 0.00 0.67 0.00 0.00 0.07 0.00 0.00 179.01 179.75 1ckr n ALA 519 N -2.29 0.00 -0.32 1.06 0.00 0.86 -3.65 120.51 116.18 1ckr n ALA 519 Ca 0.01 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.62 1ckr n ALA 519 Cb 0.78 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.58 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 0.10 0.00 0.00 -0.00 -1.81 -0.70 114.58 112.16 1ckr h GLU 520 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1ckr h GLU 520 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 28.73 1ckr h GLU 520 CO 0.00 0.06 0.00 1.17 -0.00 0.00 0.00 179.01 180.24 1ckr n LYS 521 N -5.33 0.00 0.00 1.06 4.81 -1.26 -2.67 118.16 114.77 1ckr n LYS 521 Ca 0.25 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1ckr n LYS 521 Cb 0.83 -1.17 0.00 0.00 0.02 0.00 0.00 35.03 34.70 1ckr n LYS 521 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1ckr n TYR 522 N -1.18 0.00 -0.03 5.64 9.36 -0.86 -2.61 117.16 127.49 1ckr n TYR 522 Ca 0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 1ckr n TYR 522 Cb 0.00 -0.02 -0.02 0.00 -0.63 0.00 0.00 39.34 38.67 1ckr n TYR 522 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1ckr n LYS 523 N -0.26 0.20 0.24 2.98 4.81 -0.33 -1.23 118.16 124.58 1ckr n LYS 523 Ca 0.00 0.08 0.16 0.00 -0.87 0.00 0.00 58.31 57.69 1ckr n LYS 523 Cb 0.04 -0.84 0.83 0.00 0.02 0.00 0.00 35.03 35.08 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 -0.36 1.00 0.00 3.14 0.00 -1.58 0.63 119.26 122.10 1ckr h ALA 524 Ca -0.13 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 1ckr h ALA 524 Cb 0.80 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1ckr h ALA 524 CO -0.08 0.00 -0.96 1.49 0.00 0.00 0.00 179.25 179.70 1ckr h GLU 525 N 0.00 0.00 0.00 0.00 4.81 -1.68 -2.58 114.58 115.13 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 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1ckr h GLU 525 CO 0.00 0.83 0.12 -3.47 -0.73 0.00 0.00 179.01 175.76 1ckr n ASP 526 N -3.28 0.13 -1.04 1.04 -0.08 0.18 -4.85 116.55 108.65 1ckr n ASP 526 Ca -0.01 0.48 0.00 0.00 -1.51 0.00 0.00 54.79 53.74 1ckr n ASP 526 Cb 0.90 -0.48 0.00 0.00 2.34 0.00 0.00 41.12 43.88 1ckr n ASP 526 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1ckr n GLU 527 N -1.62 0.00 -3.47 -0.67 1.02 -0.98 -3.96 120.64 110.96 1ckr n GLU 527 Ca -0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 1ckr n GLU 527 Cb 0.12 -1.22 0.04 0.00 -0.02 0.00 0.00 31.44 30.37 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 -1.04 -1.50 0.00 3.49 4.01 -1.15 -4.82 118.16 117.14 1ckr n LYS 528 Ca 0.00 0.79 0.00 0.00 -0.51 0.00 0.00 58.31 58.59 1ckr n LYS 528 Cb 0.37 -4.65 0.00 0.00 -0.51 0.00 0.00 35.03 30.24 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 -3.33 0.00 -0.13 1.97 0.00 -1.16 -0.30 117.38 114.43 1ckr n GLN 529 Ca -0.09 0.00 0.09 0.00 0.00 0.00 0.00 57.00 56.99 1ckr n GLN 529 Cb 0.59 0.00 0.15 0.00 0.00 0.00 0.00 30.24 30.98 1ckr n GLN 529 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1ckr n ARG 530 N -1.26 2.05 -0.25 2.61 5.12 -1.26 -4.53 116.66 119.13 1ckr n ARG 530 Ca 0.00 -1.91 -0.03 0.00 -1.93 0.00 0.00 57.85 53.98 1ckr n ARG 530 Cb 0.00 -1.37 0.15 0.00 -1.16 0.00 0.00 32.46 30.08 1ckr n ARG 530 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 1ckr h ASP 531 N 3.24 0.98 -1.67 0.55 3.58 -0.90 -3.35 116.42 118.85 1ckr h ASP 531 Ca 0.00 -0.10 -0.61 0.00 0.42 0.00 0.00 57.03 56.74 1ckr h ASP 531 Cb 0.78 -0.25 -0.12 0.00 1.72 0.00 0.00 39.33 41.46 1ckr h ASP 531 CO 0.00 0.82 1.23 -1.59 -2.88 0.00 0.00 179.24 176.82 1ckr s LYS 532 N -5.66 3.50 0.00 0.28 0.00 -1.20 -3.89 119.74 112.77 1ckr s LYS 532 Ca -0.12 -1.10 -0.18 0.00 0.00 0.00 0.00 55.97 54.58 1ckr s LYS 532 Cb 0.17 -5.01 0.03 0.00 0.00 0.00 0.00 37.83 33.01 1ckr s LYS 532 CO 0.81 -2.08 0.38 0.54 0.00 0.00 0.00 175.35 175.00 1ckr s VAL 533 N 4.56 0.05 0.00 1.79 0.11 -0.19 -5.02 120.40 121.70 1ckr s VAL 533 Ca 0.40 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 1ckr s VAL 533 Cb -0.03 -0.78 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 1ckr s VAL 533 CO -0.05 -0.24 0.00 -1.20 -3.33 0.00 0.00 175.10 170.28 1ckr n SER 534 N 0.98 0.00 -0.05 3.54 7.64 -1.26 -2.96 113.62 121.51 1ckr n SER 534 Ca -0.20 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.64 1ckr n SER 534 Cb 0.57 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.76 1ckr n SER 534 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ckr n SER 535 N 4.34 1.14 0.00 6.43 3.41 -1.26 -5.01 113.62 122.67 1ckr n SER 535 Ca 0.00 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 1ckr n SER 535 Cb 0.00 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 1ckr n SER 535 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1ckr n LYS 536 N -3.72 0.00 -3.14 4.33 0.00 -1.16 -4.97 118.16 109.51 1ckr n LYS 536 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 58.02 1ckr n LYS 536 Cb 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.19 1ckr n LYS 536 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1ckr n ASN 537 N -1.47 2.29 -4.77 3.14 5.15 -1.25 -1.02 115.26 117.32 1ckr n ASN 537 Ca 0.00 -3.23 -0.36 0.00 -0.60 0.00 0.00 54.58 50.39 1ckr n ASN 537 Cb 0.00 -0.61 -0.08 0.00 -0.53 0.00 0.00 39.78 38.56 1ckr n ASN 537 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1ckr s SER 538 N -2.56 6.15 -0.08 1.20 1.04 -1.20 -0.12 113.70 118.14 1ckr s SER 538 Ca 0.42 0.30 0.01 0.00 0.48 0.00 0.00 55.95 57.15 1ckr s SER 538 Cb 0.27 -2.04 0.13 0.00 0.10 0.00 0.00 66.02 64.48 1ckr s SER 538 CO -0.09 0.27 1.16 0.00 0.98 0.00 0.00 173.24 175.56 1ckr n LEU 539 N 2.88 3.64 0.00 2.42 -0.00 -1.26 -4.52 117.00 120.16 1ckr n LEU 539 Ca -0.18 -1.86 0.00 0.00 -0.00 0.00 0.00 56.01 53.97 1ckr n LEU 539 Cb 0.53 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 43.39 1ckr n LEU 539 CO 0.34 0.59 0.00 -0.62 -0.00 0.00 0.00 177.39 177.70