#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 3.20 -2.96 1.43 2.13 -1.26 -4.93 120.64 118.25 1ckr n GLU 384 Ca 0.00 -3.23 -0.44 0.00 0.66 0.00 0.00 57.16 54.15 1ckr n GLU 384 Cb 0.00 -3.25 -0.01 0.00 0.27 0.00 0.00 31.44 28.45 1ckr n GLU 384 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1ckr s ASN 385 N 3.09 6.96 -1.33 4.31 -0.87 -1.26 -4.95 114.94 120.89 1ckr s ASN 385 Ca 0.47 -2.75 -0.16 0.00 -1.57 0.00 0.00 52.86 48.85 1ckr s ASN 385 Cb 0.07 -2.39 0.08 0.00 -0.02 0.00 0.00 41.25 38.99 1ckr s ASN 385 CO 0.00 -0.81 1.83 1.33 -2.57 0.00 0.00 177.10 176.88 1ckr n VAL 386 N 4.78 3.89 -2.48 1.60 0.24 -1.26 -4.77 118.33 120.32 1ckr n VAL 386 Ca 0.32 -3.94 0.00 0.00 -2.04 0.00 0.00 64.34 58.69 1ckr n VAL 386 Cb 0.44 -2.43 0.00 0.00 -1.47 0.00 0.00 33.84 30.38 1ckr n VAL 386 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ckr n GLN 387 N 7.18 0.00 -1.39 7.34 10.64 -1.26 -5.06 117.38 134.83 1ckr n GLN 387 Ca 0.48 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 55.26 1ckr n GLN 387 Cb 0.43 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.79 1ckr n GLN 387 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1ckr n ASP 388 N 0.00 6.78 -3.67 2.61 8.00 -1.26 -4.85 116.55 124.17 1ckr n ASP 388 Ca 0.00 -2.64 -0.10 0.00 0.71 0.00 0.00 54.79 52.76 1ckr n ASP 388 Cb 0.00 -1.54 -0.03 0.00 -0.02 0.00 0.00 41.12 39.53 1ckr n ASP 388 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1ckr s LEU 389 N 0.82 -0.19 -0.82 0.64 0.05 -1.26 -5.12 118.68 112.80 1ckr s LEU 389 Ca 0.60 -0.36 -0.22 0.00 0.05 0.00 0.00 54.13 54.20 1ckr s LEU 389 Cb 0.16 2.41 0.08 0.00 -2.05 0.00 0.00 46.19 46.79 1ckr s LEU 389 CO -0.06 -1.09 1.17 -0.22 -0.55 0.00 0.00 176.35 175.60 1ckr s LEU 390 N -2.84 4.17 -0.11 1.48 2.96 -1.26 -4.89 118.68 118.19 1ckr s LEU 390 Ca 0.07 -1.29 -0.26 0.00 -0.22 0.00 0.00 54.13 52.43 1ckr s LEU 390 Cb -0.02 -2.47 -0.23 0.00 0.50 0.00 0.00 46.19 43.97 1ckr s LEU 390 CO -0.04 -1.42 0.82 0.25 -1.32 0.00 0.00 176.35 174.64 1ckr h LEU 391 N 11.69 -0.01 -8.06 -0.68 5.85 -1.93 -3.46 115.31 118.71 1ckr h LEU 391 Ca -0.06 -0.81 -0.50 0.00 0.84 0.00 0.00 57.88 57.35 1ckr h LEU 391 Cb 1.04 0.00 -0.32 0.00 0.37 0.00 0.00 40.66 41.76 1ckr h LEU 391 CO 1.23 0.84 -0.81 -1.48 -0.34 0.00 0.00 178.44 177.88 1ckr s LEU 392 N -8.47 1.79 -0.45 2.25 0.05 -1.26 -5.10 118.68 107.49 1ckr s LEU 392 Ca -0.17 -0.27 -0.08 0.00 0.05 0.00 0.00 54.13 53.66 1ckr s LEU 392 Cb -0.02 -0.77 0.11 0.00 -2.05 0.00 0.00 46.19 43.46 1ckr s LEU 392 CO 0.63 0.09 0.30 -0.62 -0.55 0.00 0.00 176.35 176.20 1ckr s ASP 393 N 0.27 5.59 -0.11 1.48 -1.08 -1.26 -5.09 116.67 116.47 1ckr s ASP 393 Ca -0.06 -1.86 -0.04 0.00 -0.52 0.00 0.00 52.55 50.06 1ckr s ASP 393 Cb -0.12 -1.96 -0.04 0.00 -1.46 0.00 0.00 42.92 39.34 1ckr s ASP 393 CO 0.02 -0.63 0.06 0.68 0.52 0.00 0.00 175.17 175.82 1ckr s VAL 394 N 1.32 4.85 -0.01 1.11 -7.23 -1.26 -1.37 120.40 117.82 1ckr s VAL 394 Ca 0.06 -0.04 -0.20 0.00 -1.81 0.00 0.00 61.98 59.99 1ckr s VAL 394 Cb -0.25 -3.08 -0.05 0.00 0.56 0.00 0.00 36.38 33.55 1ckr s VAL 394 CO -0.01 0.60 0.57 0.28 -0.31 0.00 0.00 175.10 176.23 1ckr s THR 395 N -0.84 4.93 0.53 5.32 -1.32 -0.68 -4.84 115.64 118.74 1ckr s THR 395 Ca 0.13 1.19 0.21 0.00 -1.21 0.00 0.00 61.69 62.01 1ckr s THR 395 Cb -0.12 -3.90 0.29 0.00 -1.51 0.00 0.00 72.50 67.26 1ckr s THR 395 CO 0.03 0.43 2.16 1.55 -2.21 0.00 0.00 174.62 176.58 1ckr h PRO 396 N 5.60 0.00 -6.30 7.08 0.13 -1.93 -2.59 132.00 134.00 1ckr h PRO 396 Ca -0.46 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.09 1ckr h PRO 396 Cb 1.20 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 1ckr h PRO 396 CO 0.69 0.04 -0.69 -1.17 -0.23 0.00 0.00 178.00 176.64 1ckr s LEU 397 N -8.38 3.05 -0.43 1.56 2.96 -1.26 -3.01 118.68 113.16 1ckr s LEU 397 Ca -0.05 -0.65 -0.22 0.00 -0.22 0.00 0.00 54.13 52.99 1ckr s LEU 397 Cb 0.16 -1.64 0.02 0.00 0.50 0.00 0.00 46.19 45.23 1ckr s LEU 397 CO 0.62 0.05 0.71 -0.94 -1.32 0.00 0.00 176.35 175.47 1ckr s SER 398 N -3.32 6.38 -0.14 3.68 1.04 -1.21 -4.62 113.70 115.52 1ckr s SER 398 Ca 0.29 -0.16 -0.17 0.00 0.48 0.00 0.00 55.95 56.39 1ckr s SER 398 Cb -0.07 -2.35 -0.04 0.00 0.10 0.00 0.00 66.02 63.65 1ckr s SER 398 CO 0.18 -0.81 0.43 -0.76 0.98 0.00 0.00 173.24 173.25 1ckr s LEU 399 N 3.02 4.26 0.00 2.42 1.43 -1.26 -3.15 118.68 125.40 1ckr s LEU 399 Ca 0.26 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.07 1ckr s LEU 399 Cb -0.13 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1ckr s LEU 399 CO 0.20 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1ckr n GLY 400 N 3.36 5.19 3.00 -3.19 0.00 -1.10 -4.36 105.19 108.10 1ckr n GLY 400 Ca -0.08 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 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 0.90 0.10 -0.40 -0.61 -4.36 -1.10 -2.53 121.20 113.19 1ckr s ILE 401 Ca 0.00 -0.80 -0.23 0.00 -0.26 0.00 0.00 60.65 59.37 1ckr s ILE 401 Cb 0.00 -0.29 0.01 0.00 1.25 0.00 0.00 42.46 43.44 1ckr s ILE 401 CO 0.00 -0.44 0.75 -0.70 0.24 0.00 0.00 174.94 174.80 1ckr s GLU 402 N -1.34 3.59 -0.01 0.37 -6.30 0.03 -2.45 118.70 112.59 1ckr s GLU 402 Ca -0.15 0.08 0.02 0.00 -2.50 0.00 0.00 54.97 52.43 1ckr s GLU 402 Cb -0.09 -3.86 -0.00 0.00 0.00 0.00 0.00 34.13 30.17 1ckr s GLU 402 CO -0.00 -0.94 -0.06 0.95 0.02 0.00 0.00 175.26 175.22 1ckr s THR 403 N 3.10 0.50 -0.48 -1.70 -4.23 -0.68 -3.69 115.64 108.46 1ckr s THR 403 Ca 0.29 -0.26 -0.25 0.00 -1.18 0.00 0.00 61.69 60.29 1ckr s THR 403 Cb -0.13 -0.42 0.04 0.00 1.34 0.00 0.00 72.50 73.32 1ckr s THR 403 CO 0.19 0.14 0.64 0.00 -0.54 0.00 0.00 174.62 175.05 1ckr n ALA 404 N 2.97 -2.64 0.00 3.99 0.00 -1.20 -1.61 120.51 122.02 1ckr n ALA 404 Ca -0.14 0.64 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1ckr n ALA 404 Cb 0.58 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 17.25 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 -0.41 2.52 0.00 0.00 0.00 -1.26 -4.53 105.19 101.52 1ckr n GLY 405 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 0.00 3.92 -0.02 0.00 -0.97 -5.09 105.19 103.03 1ckr n GLY 406 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 3.66 -0.93 1.61 -7.23 -0.63 -4.00 120.40 112.88 1ckr s VAL 407 Ca 0.00 -1.19 -0.23 0.00 -1.81 0.00 0.00 61.98 58.75 1ckr s VAL 407 Cb 0.00 -3.25 0.06 0.00 0.56 0.00 0.00 36.38 33.75 1ckr s VAL 407 CO 0.00 -0.14 1.33 -0.32 -0.31 0.00 0.00 175.10 175.66 1ckr s MET 408 N -4.10 3.49 -0.19 4.82 1.75 -1.25 -1.68 119.30 122.14 1ckr s MET 408 Ca 0.44 -1.05 -0.22 0.00 -1.25 0.00 0.00 55.69 53.61 1ckr s MET 408 Cb -0.07 -5.00 -0.02 0.00 2.84 0.00 0.00 34.83 32.58 1ckr s MET 408 CO 0.29 -2.10 0.67 0.99 -0.65 0.00 0.00 175.02 174.22 1ckr s THR 409 N 4.67 4.99 -0.24 10.11 2.01 -1.03 -4.80 115.64 131.35 1ckr s THR 409 Ca 0.40 1.28 0.01 0.00 0.31 0.00 0.00 61.69 63.69 1ckr s THR 409 Cb -0.03 -3.98 0.06 0.00 0.01 0.00 0.00 72.50 68.55 1ckr s THR 409 CO -0.04 0.09 -0.05 0.54 -0.69 0.00 0.00 174.62 174.47 1ckr s VAL 410 N 1.97 1.57 -0.21 3.82 0.11 -1.26 -2.72 120.40 123.68 1ckr s VAL 410 Ca 0.31 -1.28 0.18 0.00 -2.93 0.00 0.00 61.98 58.26 1ckr s VAL 410 Cb -0.16 -1.84 0.05 0.00 -1.53 0.00 0.00 36.38 32.90 1ckr s VAL 410 CO 0.11 -0.12 1.26 0.17 -3.33 0.00 0.00 175.10 173.19 1ckr h LEU 411 N 7.94 0.00 0.00 2.54 8.10 -1.95 -3.48 115.31 128.46 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 1.07 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.29 1ckr h LEU 411 CO 0.42 0.36 0.00 -0.38 -4.11 0.00 0.00 178.44 174.73 1ckr n ILE 412 N -3.04 0.00 -3.53 0.15 2.08 -1.26 -5.02 119.36 108.74 1ckr n ILE 412 Ca -0.01 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.20 1ckr n ILE 412 Cb 0.70 -1.86 -0.02 0.00 -0.75 0.00 0.00 39.64 37.71 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 -0.84 1.33 0.17 0.38 0.00 -1.26 -4.92 119.74 114.60 1ckr s LYS 413 Ca 0.00 -0.57 -0.30 0.00 0.00 0.00 0.00 55.97 55.10 1ckr s LYS 413 Cb 0.00 0.57 -0.08 0.00 0.00 0.00 0.00 37.83 38.32 1ckr s LYS 413 CO 0.00 -0.59 1.20 0.50 0.00 0.00 0.00 175.35 176.46 1ckr s ARG 414 N -3.70 4.49 -1.18 1.78 3.52 -1.26 -3.30 118.95 119.30 1ckr s ARG 414 Ca 0.04 1.86 -0.07 0.00 -0.13 0.00 0.00 55.73 57.43 1ckr s ARG 414 Cb -0.02 -3.25 -0.02 0.00 -1.56 0.00 0.00 34.95 30.09 1ckr s ARG 414 CO -0.08 -0.11 0.82 0.09 -0.81 0.00 0.00 175.30 175.22 1ckr n ASN 415 N 2.69 -3.92 -4.69 -2.12 3.02 -1.14 -4.98 115.26 104.13 1ckr n ASN 415 Ca 0.05 -0.81 -0.41 0.00 -0.03 0.00 0.00 54.58 53.38 1ckr n ASN 415 Cb 0.45 -4.35 -0.04 0.00 -0.61 0.00 0.00 39.78 35.22 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 -3.50 4.94 -0.76 3.41 -1.32 -0.99 -4.82 115.64 112.60 1ckr s THR 416 Ca 0.26 1.57 -0.25 0.00 -1.21 0.00 0.00 61.69 62.05 1ckr s THR 416 Cb -0.06 -4.10 -0.05 0.00 -1.51 0.00 0.00 72.50 66.77 1ckr s THR 416 CO 0.79 0.11 2.01 -0.89 -2.21 0.00 0.00 174.62 174.43 1ckr s THR 417 N 1.66 3.33 0.19 5.08 2.01 -1.26 -1.69 115.64 124.96 1ckr s THR 417 Ca 0.38 -0.11 -0.10 0.00 0.31 0.00 0.00 61.69 62.18 1ckr s THR 417 Cb -0.17 -3.79 -0.07 0.00 0.01 0.00 0.00 72.50 68.48 1ckr s THR 417 CO 0.15 -0.75 0.51 0.27 -0.69 0.00 0.00 174.62 174.11 1ckr s ILE 418 N 10.48 4.97 0.51 1.82 -4.36 -0.47 -4.35 121.20 129.79 1ckr s ILE 418 Ca 0.74 0.45 -0.22 0.00 -0.26 0.00 0.00 60.65 61.36 1ckr s ILE 418 Cb -0.10 -3.63 -0.06 0.00 1.25 0.00 0.00 42.46 39.91 1ckr s ILE 418 CO 0.09 0.01 1.23 -2.16 0.24 0.00 0.00 174.94 174.35 1ckr s PRO 419 N -2.61 3.45 -0.15 0.37 0.04 -1.26 -4.47 135.00 130.36 1ckr s PRO 419 Ca 0.44 1.91 -0.07 0.00 0.04 0.00 0.00 61.00 63.32 1ckr s PRO 419 Cb -0.12 -2.28 0.06 0.00 0.04 0.00 0.00 34.50 32.20 1ckr s PRO 419 CO 0.21 -0.85 0.35 -0.08 0.04 0.00 0.00 177.00 176.68 1ckr s THR 420 N -1.49 -0.17 -0.47 1.26 -1.32 -1.07 -4.94 115.64 107.43 1ckr s THR 420 Ca 0.68 0.14 -0.12 0.00 -1.21 0.00 0.00 61.69 61.18 1ckr s THR 420 Cb -0.32 -0.54 0.10 0.00 -1.51 0.00 0.00 72.50 70.22 1ckr s THR 420 CO 0.38 0.06 0.36 -0.75 -2.21 0.00 0.00 174.62 172.46 1ckr s LYS 421 N 1.68 2.74 -0.21 7.08 2.20 -1.25 -0.77 119.74 131.21 1ckr s LYS 421 Ca -0.07 -1.56 -0.03 0.00 -0.36 0.00 0.00 55.97 53.94 1ckr s LYS 421 Cb -0.10 -4.01 -0.01 0.00 -1.51 0.00 0.00 37.83 32.21 1ckr s LYS 421 CO -0.11 -1.11 -0.06 -0.65 -0.36 0.00 0.00 175.35 173.06 1ckr s GLN 422 N 1.50 3.35 -0.49 4.03 -0.21 -0.43 -4.94 119.66 122.46 1ckr s GLN 422 Ca 0.04 -0.64 -0.14 0.00 0.02 0.00 0.00 55.36 54.64 1ckr s GLN 422 Cb -0.26 -2.95 0.10 0.00 1.00 0.00 0.00 33.01 30.90 1ckr s GLN 422 CO 0.03 -0.17 0.41 0.95 -2.12 0.00 0.00 175.29 174.38 1ckr s THR 423 N 1.39 4.99 -0.34 -0.19 -4.23 -1.26 -0.80 115.64 115.20 1ckr s THR 423 Ca 0.05 -1.33 -0.12 0.00 -1.18 0.00 0.00 61.69 59.11 1ckr s THR 423 Cb -0.14 -4.09 -0.01 0.00 1.34 0.00 0.00 72.50 69.60 1ckr s THR 423 CO -0.04 -0.69 0.21 -1.58 -0.54 0.00 0.00 174.62 171.99 1ckr s GLN 424 N 1.57 3.36 -0.26 3.99 2.00 -1.04 -4.99 119.66 124.29 1ckr s GLN 424 Ca 0.04 -0.73 -0.26 0.00 -2.00 0.00 0.00 55.36 52.42 1ckr s GLN 424 Cb -0.26 -3.73 0.00 0.00 0.80 0.00 0.00 33.01 29.82 1ckr s GLN 424 CO 0.04 -0.47 0.89 0.99 -0.50 0.00 0.00 175.29 176.24 1ckr s THR 425 N 1.67 4.76 0.16 -0.34 2.01 -1.26 -1.52 115.64 121.12 1ckr s THR 425 Ca 0.05 1.59 0.04 0.00 0.31 0.00 0.00 61.69 63.68 1ckr s THR 425 Cb -0.17 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 1ckr s THR 425 CO 0.09 -0.18 0.24 -0.36 -0.69 0.00 0.00 174.62 173.72 1ckr s PHE 426 N 3.03 3.36 0.00 4.92 0.40 0.12 -4.91 117.98 124.89 1ckr s PHE 426 Ca 0.37 0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.76 1ckr s PHE 426 Cb -0.15 -1.60 0.00 0.00 0.51 0.00 0.00 43.02 41.78 1ckr s PHE 426 CO 0.09 0.51 0.00 -2.37 0.70 0.00 0.00 175.22 174.15 1ckr n THR 427 N -0.57 0.00 -4.36 0.64 5.66 0.77 -0.25 114.28 116.18 1ckr n THR 427 Ca -0.08 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.68 1ckr n THR 427 Cb 0.55 -0.38 -0.12 0.00 -1.55 0.00 0.00 70.33 68.83 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 1.20 1.99 -0.12 1.09 -4.23 -0.63 -4.17 115.64 110.76 1ckr s THR 428 Ca 0.00 -1.88 -0.10 0.00 -1.18 0.00 0.00 61.69 58.53 1ckr s THR 428 Cb 0.00 -1.89 -0.08 0.00 1.34 0.00 0.00 72.50 71.87 1ckr s THR 428 CO 0.00 -0.19 0.17 0.22 -0.54 0.00 0.00 174.62 174.28 1ckr h TYR 429 N 3.40 0.00 -4.26 3.99 3.20 -1.87 -2.53 116.97 118.91 1ckr h TYR 429 Ca -0.45 0.00 -0.51 0.00 3.14 0.00 0.00 58.73 60.91 1ckr h TYR 429 Cb 1.20 0.00 0.11 0.00 1.54 0.00 0.00 36.73 39.58 1ckr h TYR 429 CO 0.67 0.35 0.35 -1.12 -1.64 0.00 0.00 178.16 176.77 1ckr s SER 430 N -5.84 4.99 -0.35 -2.11 0.01 -1.26 -4.40 113.70 104.75 1ckr s SER 430 Ca -0.09 1.86 -0.29 0.00 1.31 0.00 0.00 55.95 58.74 1ckr s SER 430 Cb 0.00 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.71 1ckr s SER 430 CO 0.24 -1.71 1.29 1.51 0.41 0.00 0.00 173.24 174.99 1ckr s ASP 431 N -3.08 6.61 0.08 2.44 -4.77 -1.26 -4.17 116.67 112.52 1ckr s ASP 431 Ca 0.63 1.02 0.00 0.00 -3.30 0.00 0.00 52.55 50.90 1ckr s ASP 431 Cb -0.18 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.11 1ckr s ASP 431 CO 0.48 -1.16 0.00 -0.46 0.70 0.00 0.00 175.17 174.73 1ckr n ASN 432 N 7.86 -6.75 0.00 2.11 0.23 -0.64 -4.85 115.26 113.23 1ckr n ASN 432 Ca 0.15 1.05 0.00 0.00 -0.53 0.00 0.00 54.58 55.25 1ckr n ASN 432 Cb 0.47 -3.71 0.00 0.00 -2.08 0.00 0.00 39.78 34.46 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 1.23 0.00 -0.65 -3.83 7.27 -1.26 -4.96 117.38 115.18 1ckr n GLN 433 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.93 1ckr n GLN 433 Cb 0.00 -0.07 -0.08 0.00 2.41 0.00 0.00 30.24 32.50 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 -1.10 0.00 -2.13 3.69 -0.02 -1.26 -4.31 135.00 129.86 1ckr n PRO 434 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 1ckr n PRO 434 Cb 0.00 -0.54 -0.03 0.00 -0.02 0.00 0.00 33.50 32.91 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 2.05 1.31 -0.04 -1.23 0.00 -1.26 -4.94 107.32 103.21 1ckr s GLY 435 Ca 0.58 0.52 0.02 0.00 0.00 0.00 0.00 44.72 45.84 1ckr s GLY 435 CO 0.23 2.95 -0.08 -1.34 0.00 0.00 0.00 173.10 174.86 1ckr s VAL 436 N 4.86 3.57 -0.25 1.40 -7.23 -0.45 -4.95 120.40 117.36 1ckr s VAL 436 Ca 0.70 -0.62 -0.19 0.00 -1.81 0.00 0.00 61.98 60.05 1ckr s VAL 436 Cb -0.26 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 1ckr s VAL 436 CO 0.28 0.53 0.58 -0.22 -0.31 0.00 0.00 175.10 175.95 1ckr s LEU 437 N -1.01 4.07 -0.11 1.32 1.98 -1.26 -0.82 118.68 122.85 1ckr s LEU 437 Ca 0.14 0.65 -0.01 0.00 -2.89 0.00 0.00 54.13 52.02 1ckr s LEU 437 Cb -0.11 -2.77 -0.03 0.00 0.66 0.00 0.00 46.19 43.94 1ckr s LEU 437 CO 0.03 -0.31 -0.08 -0.63 -1.89 0.00 0.00 176.35 173.48 1ckr s ILE 438 N 2.30 3.60 -0.13 6.68 -1.09 0.52 -4.94 121.20 128.13 1ckr s ILE 438 Ca 0.24 -0.49 0.01 0.00 -2.23 0.00 0.00 60.65 58.18 1ckr s ILE 438 Cb -0.16 -2.51 -0.01 0.00 -1.58 0.00 0.00 42.46 38.20 1ckr s ILE 438 CO 0.09 0.55 -0.16 -1.10 -1.23 0.00 0.00 174.94 173.09 1ckr s GLN 439 N -0.19 3.28 -0.17 2.79 -0.21 -1.24 -0.92 119.66 123.00 1ckr s GLN 439 Ca 0.02 -0.74 -0.21 0.00 0.02 0.00 0.00 55.36 54.45 1ckr s GLN 439 Cb -0.13 -2.56 -0.03 0.00 1.00 0.00 0.00 33.01 31.29 1ckr s GLN 439 CO 0.03 0.17 0.64 0.08 -2.12 0.00 0.00 175.29 174.09 1ckr s VAL 440 N 0.45 5.03 -0.23 1.09 1.01 -1.21 -0.79 120.40 125.74 1ckr s VAL 440 Ca -0.12 1.25 0.01 0.00 0.00 0.00 0.00 61.98 63.12 1ckr s VAL 440 Cb -0.16 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.29 1ckr s VAL 440 CO 0.05 0.15 -0.13 -0.31 0.00 0.00 0.00 175.10 174.86 1ckr s TYR 441 N 1.63 3.04 -0.57 5.22 1.51 -1.05 -2.23 117.35 124.90 1ckr s TYR 441 Ca 0.31 -1.91 -0.20 0.00 -1.01 0.00 0.00 57.07 54.26 1ckr s TYR 441 Cb -0.16 -1.95 0.08 0.00 -0.11 0.00 0.00 41.96 39.82 1ckr s TYR 441 CO 0.12 -0.82 0.72 -2.00 -1.11 0.00 0.00 175.55 172.46 1ckr s GLU 442 N 1.22 3.09 0.00 -0.62 2.12 -1.04 -2.71 118.70 120.77 1ckr s GLU 442 Ca -0.02 -1.06 0.00 0.00 0.36 0.00 0.00 54.97 54.25 1ckr s GLU 442 Cb -0.17 -4.19 0.00 0.00 0.26 0.00 0.00 34.13 30.03 1ckr s GLU 442 CO -0.08 -1.46 0.00 0.41 -0.54 0.00 0.00 175.26 173.59 1ckr n GLY 443 N 5.24 0.63 0.32 -1.50 0.00 -1.19 -1.63 105.19 107.06 1ckr n GLY 443 Ca -0.07 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1ckr n GLY 443 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ckr n GLU 444 N 0.00 0.00 0.00 1.61 1.02 -1.26 -4.73 120.64 117.28 1ckr n GLU 444 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ckr n GLU 444 Cb 0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 31.44 31.20 1ckr n GLU 444 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1ckr n ARG 445 N -1.12 3.61 -2.61 3.49 0.63 -1.26 -4.50 116.66 114.90 1ckr n ARG 445 Ca 0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 1ckr n ARG 445 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1ckr n ARG 445 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ckr n ALA 446 N -3.00 4.08 -2.65 5.13 0.00 -1.26 -4.22 120.51 118.59 1ckr n ALA 446 Ca 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 53.44 49.38 1ckr n ALA 446 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 19.45 16.14 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 6.58 0.00 0.00 0.00 3.85 -1.26 -4.78 117.12 121.51 1ckr n MET 447 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 57.70 57.13 1ckr n MET 447 Cb 0.43 0.00 0.00 0.00 -1.05 0.00 0.00 33.22 32.60 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 0.00 0.00 0.00 3.17 -2.24 -1.26 -3.11 114.28 110.84 1ckr n THR 448 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ckr n THR 448 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.00 0.00 -2.69 -0.78 0.00 -1.26 -5.07 118.16 108.35 1ckr n LYS 449 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 58.31 58.25 1ckr n LYS 449 Cb 0.00 -0.16 0.09 0.00 0.00 0.00 0.00 35.03 34.96 1ckr n LYS 449 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ckr n ASP 450 N -1.29 -1.81 -3.79 3.14 2.03 -1.26 -5.14 116.55 108.43 1ckr n ASP 450 Ca 0.00 -2.45 -0.19 0.00 0.52 0.00 0.00 54.79 52.67 1ckr n ASP 450 Cb 0.00 1.13 0.11 0.00 -0.72 0.00 0.00 41.12 41.64 1ckr n ASP 450 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1ckr n ASN 451 N -0.44 0.71 -4.34 1.67 0.23 -1.26 -4.71 115.26 107.11 1ckr n ASN 451 Ca -0.06 -1.70 -0.45 0.00 -0.53 0.00 0.00 54.58 51.83 1ckr n ASN 451 Cb 0.79 -0.60 -0.05 0.00 -2.08 0.00 0.00 39.78 37.85 1ckr n ASN 451 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1ckr s ASN 452 N -4.34 6.19 -0.11 0.53 0.01 -0.65 -4.89 114.94 111.67 1ckr s ASN 452 Ca 0.53 -1.61 -0.29 0.00 -0.71 0.00 0.00 52.86 50.78 1ckr s ASN 452 Cb -0.02 -2.25 -0.03 0.00 0.41 0.00 0.00 41.25 39.36 1ckr s ASN 452 CO 0.36 -0.97 1.34 -0.22 -1.51 0.00 0.00 177.10 176.10 1ckr s LEU 453 N 2.10 4.23 -0.03 0.60 2.96 -1.26 -2.48 118.68 124.80 1ckr s LEU 453 Ca 0.07 1.85 -0.17 0.00 -0.22 0.00 0.00 54.13 55.66 1ckr s LEU 453 Cb -0.27 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 42.91 1ckr s LEU 453 CO 0.05 -0.77 0.37 -1.48 -1.32 0.00 0.00 176.35 173.20 1ckr s LEU 454 N 3.33 0.62 0.00 -0.68 -0.00 -0.95 -5.03 118.68 115.98 1ckr s LEU 454 Ca 0.59 0.24 0.00 0.00 -0.00 0.00 0.00 54.13 54.96 1ckr s LEU 454 Cb -0.25 1.44 0.00 0.00 -0.00 0.00 0.00 46.19 47.38 1ckr s LEU 454 CO 0.19 -0.44 0.00 0.61 -0.00 0.00 0.00 176.35 176.72 1ckr n GLY 455 N 1.39 0.86 1.63 -3.48 0.00 -1.26 -3.32 105.19 101.01 1ckr n GLY 455 Ca -0.20 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.21 -3.69 1.61 2.85 -1.26 -4.93 118.16 108.53 1ckr n LYS 456 Ca 0.00 3.14 -0.12 0.00 -1.05 0.00 0.00 58.31 60.28 1ckr n LYS 456 Cb 0.00 -3.63 -0.06 0.00 -0.65 0.00 0.00 35.03 30.69 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 -3.55 -0.20 -0.18 5.58 -0.71 -0.10 -5.00 117.98 113.82 1ckr s PHE 457 Ca 0.00 0.07 -0.02 0.00 -1.04 0.00 0.00 56.93 55.94 1ckr s PHE 457 Cb 0.00 0.19 -0.01 0.00 -1.21 0.00 0.00 43.02 41.99 1ckr s PHE 457 CO 0.00 -0.58 -0.10 -2.00 -1.34 0.00 0.00 175.22 171.20 1ckr s GLU 458 N -2.79 3.33 -0.21 1.99 2.12 -1.26 -0.36 118.70 121.52 1ckr s GLU 458 Ca -0.03 -0.67 -0.07 0.00 0.36 0.00 0.00 54.97 54.55 1ckr s GLU 458 Cb -0.00 -2.80 -0.03 0.00 0.26 0.00 0.00 34.13 31.55 1ckr s GLU 458 CO -0.05 -0.03 0.06 -1.17 -0.54 0.00 0.00 175.26 173.53 1ckr s LEU 459 N 1.00 3.58 0.02 2.70 2.96 -0.00 -4.98 118.68 123.96 1ckr s LEU 459 Ca -0.01 -0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.79 1ckr s LEU 459 Cb -0.15 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 1ckr s LEU 459 CO -0.01 0.07 0.03 0.42 -1.32 0.00 0.00 176.35 175.54 1ckr s THR 460 N 1.01 0.12 0.00 3.68 -4.23 -1.26 -1.34 115.64 113.62 1ckr s THR 460 Ca 0.04 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 1ckr s THR 460 Cb -0.14 -0.54 0.00 0.00 1.34 0.00 0.00 72.50 73.16 1ckr s THR 460 CO 0.03 -0.54 0.00 0.61 -0.54 0.00 0.00 174.62 174.18 1ckr n GLY 461 N 1.26 0.49 3.89 3.99 0.00 -1.26 -5.07 105.19 108.48 1ckr n GLY 461 Ca -0.22 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.18 5.15 -0.17 -0.61 1.01 -1.26 -4.90 121.20 120.23 1ckr s ILE 462 Ca 0.00 0.14 -0.29 0.00 0.00 0.00 0.00 60.65 60.50 1ckr s ILE 462 Cb 0.00 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1ckr s ILE 462 CO 0.00 0.09 1.73 -2.16 0.00 0.00 0.00 174.94 174.60 1ckr s PRO 463 N -2.49 3.80 -1.25 2.79 0.04 -1.26 -4.63 135.00 132.00 1ckr s PRO 463 Ca 0.39 1.87 -0.18 0.00 0.04 0.00 0.00 61.00 63.12 1ckr s PRO 463 Cb -0.12 -4.08 0.08 0.00 0.04 0.00 0.00 34.50 30.41 1ckr s PRO 463 CO 0.23 -1.30 1.66 -1.25 0.04 0.00 0.00 177.00 176.37 1ckr s PRO 464 N 4.78 3.95 0.65 0.56 0.04 -1.26 -4.37 135.00 139.36 1ckr s PRO 464 Ca 0.77 -1.97 0.05 0.00 0.04 0.00 0.00 61.00 59.88 1ckr s PRO 464 Cb -0.29 -5.45 0.11 0.00 0.04 0.00 0.00 34.50 28.92 1ckr s PRO 464 CO 0.31 -2.18 0.90 0.00 0.04 0.00 0.00 177.00 176.07 1ckr s ALA 465 N 3.95 4.23 -0.81 8.56 0.00 -1.26 -4.79 121.76 131.63 1ckr s ALA 465 Ca 0.51 -1.98 -0.17 0.00 0.00 0.00 0.00 51.96 50.33 1ckr s ALA 465 Cb 0.03 -1.71 0.16 0.00 0.00 0.00 0.00 23.12 21.60 1ckr s ALA 465 CO 0.05 -1.19 0.88 -1.25 0.00 0.00 0.00 175.76 174.24 1ckr s PRO 466 N -4.92 3.48 0.05 0.00 0.04 -1.26 -1.61 135.00 130.78 1ckr s PRO 466 Ca 0.65 -1.98 0.00 0.00 0.04 0.00 0.00 61.00 59.70 1ckr s PRO 466 Cb -0.05 -4.57 0.00 0.00 0.04 0.00 0.00 34.50 29.92 1ckr s PRO 466 CO 0.42 -1.51 0.00 -2.13 0.04 0.00 0.00 177.00 173.82 1ckr n ARG 467 N 5.36 -5.31 0.00 4.56 3.00 -1.26 -4.40 116.66 118.61 1ckr n ARG 467 Ca 0.12 3.83 0.00 0.00 -0.00 0.00 0.00 57.85 61.81 1ckr n ARG 467 Cb 0.47 -4.69 0.00 0.00 0.00 0.00 0.00 32.46 28.23 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 1.86 1.88 0.13 5.14 0.00 -0.95 -4.85 105.19 108.40 1ckr n GLY 468 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 1.62 -1.72 1.61 0.31 -1.26 -4.57 118.33 112.32 1ckr n VAL 469 Ca 0.00 -0.59 -0.42 0.00 -0.01 0.00 0.00 64.34 63.32 1ckr n VAL 469 Cb 0.00 -1.59 -0.03 0.00 -0.91 0.00 0.00 33.84 31.32 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 -3.42 2.67 -3.77 5.55 -0.02 -1.26 -4.83 135.00 129.93 1ckr n PRO 470 Ca -0.40 0.96 -0.10 0.00 -2.02 0.00 0.00 63.50 61.94 1ckr n PRO 470 Cb 1.01 -2.77 -0.06 0.00 -0.02 0.00 0.00 33.50 31.66 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 0.41 1.04 -0.05 -0.52 -2.07 -1.26 -1.61 119.66 115.60 1ckr s GLN 471 Ca 0.71 -0.88 -0.03 0.00 -1.82 0.00 0.00 55.36 53.33 1ckr s GLN 471 Cb -0.52 0.42 0.02 0.00 -1.09 0.00 0.00 33.01 31.84 1ckr s GLN 471 CO 0.40 -0.38 0.13 0.96 -1.32 0.00 0.00 175.29 175.07 1ckr s ILE 472 N -3.85 -0.02 -0.53 3.63 -0.00 0.65 -4.41 121.20 116.66 1ckr s ILE 472 Ca 0.06 0.07 -0.17 0.00 -0.00 0.00 0.00 60.65 60.62 1ckr s ILE 472 Cb 0.03 -0.20 0.10 0.00 -0.00 0.00 0.00 42.46 42.39 1ckr s ILE 472 CO -0.09 0.03 0.54 -0.70 -0.00 0.00 0.00 174.94 174.72 1ckr s GLU 473 N 0.50 3.02 -0.84 0.37 2.12 0.83 0.13 118.70 124.83 1ckr s GLU 473 Ca -0.04 -1.44 -0.25 0.00 0.36 0.00 0.00 54.97 53.60 1ckr s GLU 473 Cb -0.05 -4.23 0.03 0.00 0.26 0.00 0.00 34.13 30.14 1ckr s GLU 473 CO -0.02 -1.29 1.40 0.08 -0.54 0.00 0.00 175.26 174.89 1ckr s VAL 474 N 1.98 3.76 -0.27 3.70 1.01 -0.58 -0.62 120.40 129.38 1ckr s VAL 474 Ca 0.07 -0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 1ckr s VAL 474 Cb -0.26 -4.87 -0.04 0.00 0.00 0.00 0.00 36.38 31.21 1ckr s VAL 474 CO 0.06 -1.79 0.31 -0.89 0.00 0.00 0.00 175.10 172.79 1ckr s THR 475 N 5.86 5.22 -0.55 3.92 2.01 0.46 -2.49 115.64 130.07 1ckr s THR 475 Ca 0.42 0.43 -0.11 0.00 0.31 0.00 0.00 61.69 62.75 1ckr s THR 475 Cb -0.05 -3.64 0.14 0.00 0.01 0.00 0.00 72.50 68.95 1ckr s THR 475 CO 0.06 0.19 0.44 -0.36 -0.69 0.00 0.00 174.62 174.26 1ckr s PHE 476 N 1.97 3.43 -0.61 4.92 0.40 0.02 -0.05 117.98 128.05 1ckr s PHE 476 Ca 0.12 -1.83 -0.16 0.00 -0.60 0.00 0.00 56.93 54.47 1ckr s PHE 476 Cb -0.16 -3.59 0.15 0.00 0.51 0.00 0.00 43.02 39.93 1ckr s PHE 476 CO 0.10 -0.99 0.58 0.34 0.70 0.00 0.00 175.22 175.95 1ckr s ASP 477 N 2.66 6.32 0.04 1.36 2.15 -0.68 -1.32 116.67 127.20 1ckr s ASP 477 Ca 0.08 -1.97 -0.22 0.00 0.43 0.00 0.00 52.55 50.87 1ckr s ASP 477 Cb -0.25 -2.22 -0.06 0.00 -0.30 0.00 0.00 42.92 40.10 1ckr s ASP 477 CO -0.01 -0.82 0.66 -0.63 -0.17 0.00 0.00 175.17 174.20 1ckr s ILE 478 N 1.37 4.77 0.28 4.11 1.01 0.05 -0.92 121.20 131.87 1ckr s ILE 478 Ca 0.07 1.40 -0.10 0.00 0.00 0.00 0.00 60.65 62.02 1ckr s ILE 478 Cb -0.25 -4.00 -0.07 0.00 0.01 0.00 0.00 42.46 38.15 1ckr s ILE 478 CO 0.00 0.43 0.61 -1.81 0.00 0.00 0.00 174.94 174.18 1ckr s ASP 479 N -0.39 6.61 0.63 3.58 1.01 0.99 -2.61 116.67 126.49 1ckr s ASP 479 Ca 0.33 0.98 0.27 0.00 0.71 0.00 0.00 52.55 54.85 1ckr s ASP 479 Cb -0.20 -2.25 1.44 0.00 1.01 0.00 0.00 42.92 42.92 1ckr s ASP 479 CO 0.20 -0.16 1.83 0.00 0.21 0.00 0.00 175.17 177.25 1ckr h ALA 480 N 2.16 1.81 -0.71 5.23 0.00 -1.87 -2.23 119.26 123.65 1ckr h ALA 480 Ca -0.47 -0.01 -0.49 0.00 0.00 0.00 0.00 54.91 53.94 1ckr h ALA 480 Cb 1.18 0.02 -0.21 0.00 0.00 0.00 0.00 17.79 18.78 1ckr h ALA 480 CO 0.67 -0.59 0.63 0.09 0.00 0.00 0.00 179.25 180.05 1ckr n ASN 481 N -3.25 7.03 -4.02 0.00 3.02 -1.26 -4.83 115.26 111.95 1ckr n ASN 481 Ca 0.04 -3.40 -0.32 0.00 -0.03 0.00 0.00 54.58 50.87 1ckr n ASN 481 Cb 0.58 -1.03 0.01 0.00 -0.61 0.00 0.00 39.78 38.73 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 -0.18 -0.47 3.46 7.41 0.00 -0.86 -4.06 105.19 110.48 1ckr n GLY 482 Ca 0.45 0.17 -0.38 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.31 4.55 -0.48 -0.61 1.01 -1.07 -4.31 121.20 116.99 1ckr s ILE 483 Ca 0.67 -0.26 -0.24 0.00 0.00 0.00 0.00 60.65 60.82 1ckr s ILE 483 Cb -0.35 -3.23 0.03 0.00 0.01 0.00 0.00 42.46 38.92 1ckr s ILE 483 CO 0.86 0.19 0.88 -0.22 0.00 0.00 0.00 174.94 176.65 1ckr s LEU 484 N 1.63 4.14 -1.12 2.97 0.20 -0.91 -0.01 118.68 125.57 1ckr s LEU 484 Ca 0.05 -0.11 -0.16 0.00 0.69 0.00 0.00 54.13 54.60 1ckr s LEU 484 Cb -0.16 -3.00 0.14 0.00 -0.43 0.00 0.00 46.19 42.74 1ckr s LEU 484 CO 0.06 -1.05 1.38 0.21 -0.29 0.00 0.00 176.35 176.65 1ckr s ASN 485 N 2.38 6.88 -0.37 3.68 3.84 -0.10 -0.56 114.94 130.70 1ckr s ASN 485 Ca 0.32 -2.57 -0.22 0.00 0.21 0.00 0.00 52.86 50.60 1ckr s ASN 485 Cb -0.12 -2.43 0.01 0.00 -0.55 0.00 0.00 41.25 38.16 1ckr s ASN 485 CO 0.23 -0.93 0.73 -0.69 -2.79 0.00 0.00 177.10 173.65 1ckr s VAL 486 N 2.38 4.78 0.28 -5.21 1.01 0.29 -1.68 120.40 122.25 1ckr s VAL 486 Ca 0.41 0.73 0.08 0.00 0.00 0.00 0.00 61.98 63.20 1ckr s VAL 486 Cb -0.02 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1ckr s VAL 486 CO -0.02 -0.43 0.12 -0.55 0.00 0.00 0.00 175.10 174.22 1ckr s SER 487 N 1.86 4.97 -0.07 3.32 0.15 0.92 -1.30 113.70 123.54 1ckr s SER 487 Ca 0.29 -0.52 -0.02 0.00 0.70 0.00 0.00 55.95 56.40 1ckr s SER 487 Cb -0.13 -1.02 0.03 0.00 -1.71 0.00 0.00 66.02 63.18 1ckr s SER 487 CO 0.17 -0.10 0.01 0.00 1.20 0.00 0.00 173.24 174.52 1ckr s ALA 488 N -2.28 0.62 -0.19 5.45 0.00 -0.83 -0.41 121.76 124.12 1ckr s ALA 488 Ca 0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.19 1ckr s ALA 488 Cb -0.06 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1ckr s ALA 488 CO 0.23 -0.50 -0.11 0.08 0.00 0.00 0.00 175.76 175.46 1ckr s VAL 489 N 2.01 2.85 -1.23 0.00 1.01 0.21 -2.59 120.40 122.66 1ckr s VAL 489 Ca 0.05 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 1ckr s VAL 489 Cb -0.12 -2.25 0.08 0.00 0.00 0.00 0.00 36.38 34.08 1ckr s VAL 489 CO -0.05 0.48 1.64 -1.81 0.00 0.00 0.00 175.10 175.36 1ckr s ASP 490 N 1.28 6.80 0.11 3.32 1.01 0.11 -0.12 116.67 129.18 1ckr s ASP 490 Ca 0.03 -2.32 -0.14 0.00 0.71 0.00 0.00 52.55 50.83 1ckr s ASP 490 Cb -0.14 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.18 1ckr s ASP 490 CO -0.06 -1.19 1.49 0.50 0.21 0.00 0.00 175.17 176.12 1ckr h LYS 491 N 7.95 0.72 -0.12 8.23 3.64 -1.80 0.80 116.57 136.00 1ckr h LYS 491 Ca 0.39 -0.31 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1ckr h LYS 491 Cb 0.90 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1ckr h LYS 491 CO 1.42 0.92 0.08 0.77 -2.27 0.00 0.00 179.45 180.38 1ckr h SER 492 N 0.50 0.02 0.77 4.20 0.02 -1.89 -0.82 113.55 116.36 1ckr h SER 492 Ca 0.08 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1ckr h SER 492 Cb 0.70 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1ckr h SER 492 CO 0.05 0.01 -0.16 0.41 -1.14 0.00 0.00 176.83 176.01 1ckr n THR 493 N -4.51 0.00 -3.91 -2.27 -1.04 -1.05 -5.02 114.28 96.48 1ckr n THR 493 Ca -0.00 -0.01 -0.35 0.00 -2.04 0.00 0.00 64.05 61.65 1ckr n THR 493 Cb 0.18 -0.24 0.01 0.00 -1.82 0.00 0.00 70.33 68.47 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 1.47 -1.09 2.83 3.41 0.00 0.22 -5.01 105.19 107.01 1ckr n GLY 494 Ca 0.08 0.48 -0.17 0.00 0.00 0.00 0.00 46.02 46.41 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 -6.07 0.05 0.08 1.61 2.47 -0.85 -5.01 119.74 112.03 1ckr s LYS 495 Ca 0.24 0.52 0.04 0.00 -1.56 0.00 0.00 55.97 55.21 1ckr s LYS 495 Cb -0.13 -0.39 -0.03 0.00 -1.46 0.00 0.00 37.83 35.82 1ckr s LYS 495 CO 0.93 -0.35 -0.11 -1.83 0.16 0.00 0.00 175.35 174.15 1ckr s GLU 496 N 2.30 0.79 -0.03 4.03 -1.05 -1.26 0.07 118.70 123.55 1ckr s GLU 496 Ca 0.03 -1.04 0.04 0.00 -0.15 0.00 0.00 54.97 53.85 1ckr s GLU 496 Cb -0.12 -0.58 -0.00 0.00 -0.44 0.00 0.00 34.13 32.98 1ckr s GLU 496 CO -0.07 0.11 -0.13 -0.80 0.95 0.00 0.00 175.26 175.32 1ckr s ASN 497 N -2.11 1.69 0.02 0.83 -0.87 -1.07 -4.99 114.94 108.45 1ckr s ASN 497 Ca 0.01 -0.27 0.00 0.00 -1.57 0.00 0.00 52.86 51.03 1ckr s ASN 497 Cb -0.06 -0.41 -0.02 0.00 -0.02 0.00 0.00 41.25 40.74 1ckr s ASN 497 CO 0.01 0.12 -0.03 -1.59 -2.57 0.00 0.00 177.10 173.04 1ckr s LYS 498 N 0.03 0.31 -0.05 -0.60 -2.85 -1.26 -1.97 119.74 113.34 1ckr s LYS 498 Ca -0.02 -0.57 0.06 0.00 -1.00 0.00 0.00 55.97 54.45 1ckr s LYS 498 Cb -0.09 0.06 -0.01 0.00 -2.06 0.00 0.00 37.83 35.72 1ckr s LYS 498 CO 0.01 -0.03 -0.25 -1.50 0.10 0.00 0.00 175.35 173.68 1ckr s ILE 499 N -1.32 2.01 -0.42 3.79 2.07 -0.42 -4.96 121.20 121.95 1ckr s ILE 499 Ca -0.14 -1.05 -0.13 0.00 -1.41 0.00 0.00 60.65 57.93 1ckr s ILE 499 Cb -0.09 -1.70 0.05 0.00 0.13 0.00 0.00 42.46 40.86 1ckr s ILE 499 CO -0.01 0.56 0.30 -0.89 -1.91 0.00 0.00 174.94 172.99 1ckr s THR 500 N -0.20 4.87 -0.38 4.00 2.01 -1.26 -0.55 115.64 124.14 1ckr s THR 500 Ca -0.02 -1.00 -0.22 0.00 0.31 0.00 0.00 61.69 60.76 1ckr s THR 500 Cb -0.13 -3.83 0.01 0.00 0.01 0.00 0.00 72.50 68.55 1ckr s THR 500 CO 0.03 -0.42 0.70 -0.63 -0.69 0.00 0.00 174.62 173.60 1ckr s ILE 501 N 1.58 4.81 -1.19 1.82 1.01 0.27 -4.93 121.20 124.57 1ckr s ILE 501 Ca 0.03 0.60 -0.16 0.00 0.00 0.00 0.00 60.65 61.12 1ckr s ILE 501 Cb -0.22 -4.16 0.12 0.00 0.01 0.00 0.00 42.46 38.22 1ckr s ILE 501 CO 0.06 -0.43 1.50 0.42 0.00 0.00 0.00 174.94 176.50 1ckr s THR 502 N 2.90 4.61 -1.08 2.92 -4.23 -1.26 -2.14 115.64 117.36 1ckr s THR 502 Ca 0.27 -2.13 -0.12 0.00 -1.18 0.00 0.00 61.69 58.52 1ckr s THR 502 Cb -0.14 -5.01 0.23 0.00 1.34 0.00 0.00 72.50 68.92 1ckr s THR 502 CO 0.17 -1.77 1.16 0.20 -0.54 0.00 0.00 174.62 173.83 1ckr s ASN 503 N 3.55 7.11 0.16 3.99 0.01 -1.26 -5.05 114.94 123.46 1ckr s ASN 503 Ca 0.46 -3.16 -0.31 0.00 -0.71 0.00 0.00 52.86 49.13 1ckr s ASN 503 Cb -0.01 -2.28 -0.11 0.00 0.41 0.00 0.00 41.25 39.27 1ckr s ASN 503 CO 0.01 -0.53 1.72 -1.81 -1.51 0.00 0.00 177.10 174.98 1ckr s ASP 504 N 2.08 6.46 0.19 -1.22 1.01 -1.26 -4.47 116.67 119.45 1ckr s ASP 504 Ca 0.32 2.75 -0.31 0.00 0.71 0.00 0.00 52.55 56.03 1ckr s ASP 504 Cb -0.07 -2.58 -0.16 0.00 1.01 0.00 0.00 42.92 41.11 1ckr s ASP 504 CO -0.06 -0.94 0.91 0.29 0.21 0.00 0.00 175.17 175.58 1ckr n LYS 505 N 4.65 0.73 0.00 8.23 5.02 -1.26 -4.30 118.16 131.23 1ckr n LYS 505 Ca 0.16 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 1ckr n LYS 505 Cb 0.37 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 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 1.74 0.47 2.10 0.72 0.00 -1.26 -5.02 105.19 103.94 1ckr n GLY 506 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.43 1.99 0.11 1.61 3.00 -1.26 -4.15 116.66 116.53 1ckr n ARG 506 Ca 0.00 -1.53 0.00 0.00 -0.01 0.00 0.00 57.85 56.31 1ckr n ARG 506 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 32.46 30.61 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 1.25 -1.90 0.00 0.55 -0.00 -1.26 -5.07 117.00 110.57 1ckr n LEU 507 Ca 0.37 0.68 0.00 0.00 -0.00 0.00 0.00 56.01 57.06 1ckr n LEU 507 Cb 0.65 2.03 0.00 0.00 -0.00 0.00 0.00 43.42 46.10 1ckr n LEU 507 CO 0.25 0.14 0.00 -0.24 -0.00 0.00 0.00 177.39 177.54 1ckr n SER 508 N -3.18 0.00 -0.23 1.45 2.88 -1.26 -2.78 113.62 110.50 1ckr n SER 508 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1ckr n SER 508 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 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 1.08 0.17 -1.46 -0.00 -1.98 -2.62 116.57 111.76 1ckr h LYS 509 Ca 0.00 -0.24 -0.01 0.00 -0.00 0.00 0.00 60.65 60.41 1ckr h LYS 509 Cb 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 32.23 32.08 1ckr h LYS 509 CO 0.00 0.93 -0.08 1.05 -0.00 0.00 0.00 179.45 181.35 1ckr h GLU 510 N 1.03 -0.22 0.12 0.07 4.11 -1.99 -2.66 114.58 115.04 1ckr h GLU 510 Ca 0.22 0.02 -0.24 0.00 0.07 0.00 0.00 59.36 59.43 1ckr h GLU 510 Cb 0.32 0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.65 1ckr h GLU 510 CO -0.00 0.16 -1.00 -0.44 0.07 0.00 0.00 179.01 177.79 1ckr h ASP 511 N -0.66 0.68 -0.16 3.06 3.32 -1.63 -2.88 116.42 118.14 1ckr h ASP 511 Ca -0.02 -0.86 -0.04 0.00 0.02 0.00 0.00 57.03 56.13 1ckr h ASP 511 Cb 0.48 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1ckr h ASP 511 CO 0.04 1.48 -0.06 0.40 -1.72 0.00 0.00 179.24 179.37 1ckr h ILE 512 N -0.01 1.30 -0.81 0.35 5.03 -1.64 -0.32 117.51 121.41 1ckr h ILE 512 Ca -0.16 -1.08 -0.04 0.00 -0.12 0.00 0.00 64.86 63.47 1ckr h ILE 512 Cb 1.73 1.67 -0.04 0.00 -3.03 0.00 0.00 36.82 37.16 1ckr h ILE 512 CO 0.19 0.32 0.35 -0.08 -0.68 0.00 0.00 178.15 178.25 1ckr h GLU 513 N 0.02 1.18 0.21 2.37 4.57 -1.63 -2.23 114.58 119.07 1ckr h GLU 513 Ca 0.04 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 1ckr h GLU 513 Cb 0.52 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1ckr h GLU 513 CO 0.02 0.94 -0.10 0.07 -1.18 0.00 0.00 179.01 178.76 1ckr h ARG 514 N 1.16 -0.27 0.07 1.92 0.11 -1.56 -3.37 114.38 112.44 1ckr h ARG 514 Ca 0.27 0.02 -0.00 0.00 0.10 0.00 0.00 59.98 60.37 1ckr h ARG 514 Cb 0.17 0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.31 1ckr h ARG 514 CO -0.03 0.11 -0.03 0.52 0.10 0.00 0.00 179.97 180.64 1ckr h MET 515 N -0.76 -0.09 -0.70 0.08 2.86 -1.11 -3.39 114.93 111.81 1ckr h MET 515 Ca -0.03 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1ckr h MET 515 Cb 0.51 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1ckr h MET 515 CO 0.05 0.38 0.00 1.55 1.06 0.00 0.00 176.91 179.95 1ckr n VAL 516 N -4.79 1.07 -0.04 -2.22 3.14 -0.84 -0.04 118.33 114.61 1ckr n VAL 516 Ca -0.06 -0.59 0.02 0.00 -2.96 0.00 0.00 64.34 60.75 1ckr n VAL 516 Cb 0.25 -0.26 -0.16 0.00 -1.06 0.00 0.00 33.84 32.62 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 0.33 0.67 -0.10 1.45 6.02 -1.26 -4.41 117.38 120.09 1ckr n GLN 517 Ca 0.12 -0.10 -0.24 0.00 -0.01 0.00 0.00 57.00 56.78 1ckr n GLN 517 Cb 0.59 -1.54 -0.12 0.00 1.02 0.00 0.00 30.24 30.19 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 -2.50 0.61 0.00 -1.09 0.28 -1.17 -4.78 120.64 112.00 1ckr n GLU 518 Ca -0.16 0.40 0.00 0.00 -0.16 0.00 0.00 57.16 57.24 1ckr n GLU 518 Cb 0.82 -1.65 0.00 0.00 1.43 0.00 0.00 31.44 32.04 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 -3.55 0.00 -0.35 -1.84 0.00 0.95 -2.76 120.51 112.96 1ckr n ALA 519 Ca -0.39 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.27 1ckr n ALA 519 Cb 0.83 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.75 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 0.39 0.00 0.00 -0.00 -1.79 -0.93 114.58 112.25 1ckr h GLU 520 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1ckr h GLU 520 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 28.75 28.66 1ckr h GLU 520 CO 0.00 0.26 0.00 1.63 -0.00 0.00 0.00 179.01 180.90 1ckr n LYS 521 N -4.86 0.00 0.00 1.06 5.02 -1.26 -2.70 118.16 115.42 1ckr n LYS 521 Ca 0.29 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 1ckr n LYS 521 Cb 0.92 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.98 1ckr n LYS 521 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1ckr n TYR 522 N -0.54 0.00 -0.10 2.13 4.19 -1.05 -2.46 117.16 119.32 1ckr n TYR 522 Ca 0.00 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 61.06 1ckr n TYR 522 Cb 0.00 -0.33 -0.05 0.00 0.49 0.00 0.00 39.34 39.45 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 -1.31 0.55 0.33 2.98 4.81 -0.38 -0.40 118.16 124.73 1ckr n LYS 523 Ca 0.00 0.25 0.22 0.00 -0.87 0.00 0.00 58.31 57.90 1ckr n LYS 523 Cb 0.08 -1.47 1.13 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 -0.99 1.02 0.04 3.14 0.00 -1.54 -0.72 119.26 120.21 1ckr h ALA 524 Ca -0.22 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.43 1ckr h ALA 524 Cb 1.17 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1ckr h ALA 524 CO -0.13 0.00 -1.26 1.49 0.00 0.00 0.00 179.25 179.35 1ckr h GLU 525 N 0.00 0.09 -0.09 0.00 4.81 -1.66 -3.07 114.58 114.66 1ckr h GLU 525 Ca -0.00 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1ckr h GLU 525 Cb 0.08 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1ckr h GLU 525 CO 0.00 0.97 0.41 0.22 -0.73 0.00 0.00 179.01 179.88 1ckr h ASP 526 N 0.02 0.00 -1.88 1.04 1.82 0.82 -3.46 116.42 114.78 1ckr h ASP 526 Ca -0.12 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 1ckr h ASP 526 Cb 1.89 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.90 1ckr h ASP 526 CO 0.14 0.00 0.00 -0.62 -1.61 0.00 0.00 179.24 177.15 1ckr n GLU 527 N -3.02 0.00 -1.70 0.28 -0.58 -1.04 -4.04 120.64 110.54 1ckr n GLU 527 Ca 0.00 0.31 -0.19 0.00 -0.42 0.00 0.00 57.16 56.87 1ckr n GLU 527 Cb 0.48 -0.94 -0.07 0.00 -0.57 0.00 0.00 31.44 30.35 1ckr n GLU 527 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ckr n LYS 528 N -0.47 -1.35 0.00 3.49 4.01 -1.19 -4.47 118.16 118.18 1ckr n LYS 528 Ca 0.00 1.12 0.00 0.00 -0.51 0.00 0.00 58.31 58.92 1ckr n LYS 528 Cb 0.16 -5.47 0.00 0.00 -0.51 0.00 0.00 35.03 29.21 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 -2.52 0.00 -3.05 1.97 0.00 -1.11 -0.94 117.38 111.73 1ckr n GLN 529 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 57.00 56.54 1ckr n GLN 529 Cb 0.63 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.82 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 0.00 3.02 -4.05 2.61 5.12 -1.26 -4.99 116.66 117.11 1ckr n ARG 530 Ca 0.00 -4.78 -0.22 0.00 -1.93 0.00 0.00 57.85 50.93 1ckr n ARG 530 Cb 0.00 -2.22 -0.04 0.00 -1.16 0.00 0.00 32.46 29.04 1ckr n ARG 530 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1ckr s ASP 531 N -3.22 5.59 -1.26 0.55 2.15 -0.12 -4.47 116.67 115.89 1ckr s ASP 531 Ca 0.47 -0.25 -0.16 0.00 0.43 0.00 0.00 52.55 53.04 1ckr s ASP 531 Cb 0.25 -1.40 0.01 0.00 -0.30 0.00 0.00 42.92 41.48 1ckr s ASP 531 CO -0.11 -0.09 0.60 0.29 -0.17 0.00 0.00 175.17 175.69 1ckr n LYS 532 N -1.24 -1.58 0.00 4.34 4.76 -1.20 -4.98 118.16 118.26 1ckr n LYS 532 Ca -0.07 0.33 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 1ckr n LYS 532 Cb 0.58 -3.84 0.00 0.00 -1.84 0.00 0.00 35.03 29.93 1ckr n LYS 532 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1ckr n VAL 533 N -4.48 0.00 -0.19 -0.18 3.14 -1.24 -4.65 118.33 110.74 1ckr n VAL 533 Ca -0.18 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.17 1ckr n VAL 533 Cb 0.62 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.44 1ckr n VAL 533 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 1ckr h SER 534 N 0.00 -0.82 -1.38 6.55 0.87 -1.87 -3.38 113.55 113.52 1ckr h SER 534 Ca 0.00 0.20 -0.23 0.00 -1.23 0.00 0.00 61.79 60.53 1ckr h SER 534 Cb 0.00 0.46 -0.23 0.00 -0.44 0.00 0.00 62.40 62.19 1ckr h SER 534 CO 0.00 -0.25 -0.58 -0.44 -0.53 0.00 0.00 176.83 175.02 1ckr s SER 535 N -5.18 -0.56 0.00 6.23 0.01 -1.26 -4.94 113.70 107.99 1ckr s SER 535 Ca -0.14 -1.61 0.00 0.00 1.31 0.00 0.00 55.95 55.50 1ckr s SER 535 Cb 0.17 1.34 0.00 0.00 0.21 0.00 0.00 66.02 67.74 1ckr s SER 535 CO 0.71 -0.14 0.00 1.17 0.41 0.00 0.00 173.24 175.39 1ckr n LYS 536 N 3.61 0.00 -2.63 12.44 0.00 -1.26 -3.39 118.16 126.93 1ckr n LYS 536 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 58.31 58.30 1ckr n LYS 536 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.57 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 2.01 2.85 -4.86 3.14 4.13 -1.26 -3.26 115.26 118.02 1ckr n ASN 537 Ca 0.00 -3.18 -0.26 0.00 1.68 0.00 0.00 54.58 52.83 1ckr n ASN 537 Cb 0.00 -0.51 -0.04 0.00 -1.54 0.00 0.00 39.78 37.69 1ckr n ASN 537 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1ckr s SER 538 N -3.26 5.84 -0.39 6.41 1.04 -1.22 -0.16 113.70 121.96 1ckr s SER 538 Ca 0.37 -0.02 0.05 0.00 0.48 0.00 0.00 55.95 56.83 1ckr s SER 538 Cb 0.42 -1.62 0.44 0.00 0.10 0.00 0.00 66.02 65.36 1ckr s SER 538 CO -0.07 0.05 1.26 0.00 0.98 0.00 0.00 173.24 175.46 1ckr n LEU 539 N -0.53 5.18 0.00 2.42 -0.00 -1.26 -4.23 117.00 118.58 1ckr n LEU 539 Ca -0.08 -4.87 0.00 0.00 -0.00 0.00 0.00 56.01 51.06 1ckr n LEU 539 Cb 0.55 -0.46 0.00 0.00 -0.00 0.00 0.00 43.42 43.51 1ckr n LEU 539 CO 0.45 2.09 0.00 -1.84 -0.00 0.00 0.00 177.39 178.09