#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 3.82 -3.01 -1.46 4.71 -1.26 -4.89 120.64 118.54 1ckr n GLU 384 Ca 0.00 -3.23 -0.44 0.00 -0.01 0.00 0.00 57.16 53.48 1ckr n GLU 384 Cb 0.00 -2.87 0.00 0.00 -1.01 0.00 0.00 31.44 27.56 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 3.49 5.44 -4.49 1.62 4.13 -1.26 -4.96 115.26 119.24 1ckr n ASN 385 Ca 0.52 -3.06 -0.44 0.00 1.68 0.00 0.00 54.58 53.28 1ckr n ASN 385 Cb 0.32 -1.46 -0.00 0.00 -1.54 0.00 0.00 39.78 37.09 1ckr n ASN 385 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1ckr s VAL 386 N -0.03 4.86 -0.10 2.41 -7.23 -1.26 -4.93 120.40 114.12 1ckr s VAL 386 Ca 0.37 -2.51 -0.04 0.00 -1.81 0.00 0.00 61.98 58.00 1ckr s VAL 386 Cb -0.03 -4.97 0.05 0.00 0.56 0.00 0.00 36.38 31.99 1ckr s VAL 386 CO -0.01 -1.70 0.20 -1.58 -0.31 0.00 0.00 175.10 171.70 1ckr s GLN 387 N 2.09 0.10 -0.40 4.82 2.00 -1.26 -5.13 119.66 121.88 1ckr s GLN 387 Ca 0.45 0.60 -0.29 0.00 -2.00 0.00 0.00 55.36 54.12 1ckr s GLN 387 Cb -0.01 -0.16 0.02 0.00 0.80 0.00 0.00 33.01 33.66 1ckr s GLN 387 CO 0.02 -0.26 1.17 -0.51 -0.50 0.00 0.00 175.29 175.21 1ckr s ASP 388 N 2.06 6.70 -1.26 6.67 1.01 -1.26 -4.97 116.67 125.61 1ckr s ASP 388 Ca -0.01 0.78 -0.14 0.00 0.71 0.00 0.00 52.55 53.89 1ckr s ASP 388 Cb -0.12 -2.55 0.13 0.00 1.01 0.00 0.00 42.92 41.40 1ckr s ASP 388 CO -0.07 -1.14 1.64 0.18 0.21 0.00 0.00 175.17 175.99 1ckr n LEU 389 N 7.63 5.43 -4.48 1.23 4.77 -1.26 -4.94 117.00 125.37 1ckr n LEU 389 Ca 0.13 -4.30 -0.44 0.00 -0.03 0.00 0.00 56.01 51.37 1ckr n LEU 389 Cb 0.48 -1.64 -0.01 0.00 -2.33 0.00 0.00 43.42 39.92 1ckr n LEU 389 CO 0.67 0.66 1.39 -0.76 -1.33 0.00 0.00 177.39 178.02 1ckr s LEU 390 N 2.18 4.77 -1.10 2.23 1.43 -1.26 -4.96 118.68 121.98 1ckr s LEU 390 Ca 0.46 -2.60 -0.18 0.00 -1.03 0.00 0.00 54.13 50.78 1ckr s LEU 390 Cb 0.02 -2.44 0.11 0.00 0.03 0.00 0.00 46.19 43.92 1ckr s LEU 390 CO 0.02 -0.93 1.40 -0.76 0.23 0.00 0.00 176.35 176.31 1ckr s LEU 391 N 2.44 4.50 -0.91 1.79 1.43 -1.26 -4.94 118.68 121.73 1ckr s LEU 391 Ca 0.42 -2.28 -0.14 0.00 -1.03 0.00 0.00 54.13 51.11 1ckr s LEU 391 Cb -0.02 -2.47 0.22 0.00 0.03 0.00 0.00 46.19 43.95 1ckr s LEU 391 CO -0.02 -1.08 0.90 -0.76 0.23 0.00 0.00 176.35 175.63 1ckr s LEU 392 N 3.13 6.42 -1.25 1.79 1.43 -1.26 -4.99 118.68 123.95 1ckr s LEU 392 Ca 0.42 -2.81 -0.18 0.00 -1.03 0.00 0.00 54.13 50.53 1ckr s LEU 392 Cb -0.02 -2.24 0.08 0.00 0.03 0.00 0.00 46.19 44.05 1ckr s LEU 392 CO -0.03 -0.58 1.66 -1.81 0.23 0.00 0.00 176.35 175.81 1ckr s ASP 393 N 2.19 6.82 -0.12 2.29 1.01 -1.26 -4.99 116.67 122.61 1ckr s ASP 393 Ca 0.23 -2.39 -0.07 0.00 0.71 0.00 0.00 52.55 51.03 1ckr s ASP 393 Cb -0.09 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1ckr s ASP 393 CO -0.09 -1.16 0.13 0.68 0.21 0.00 0.00 175.17 174.95 1ckr s VAL 394 N 3.96 5.42 0.09 -1.27 -7.23 -1.26 -2.03 120.40 118.08 1ckr s VAL 394 Ca 0.51 0.18 -0.16 0.00 -1.81 0.00 0.00 61.98 60.70 1ckr s VAL 394 Cb 0.03 -3.36 -0.07 0.00 0.56 0.00 0.00 36.38 33.54 1ckr s VAL 394 CO 0.05 0.61 0.52 0.28 -0.31 0.00 0.00 175.10 176.24 1ckr s THR 395 N -0.93 4.86 0.48 5.32 -1.32 -0.77 -4.85 115.64 118.44 1ckr s THR 395 Ca 0.14 0.94 0.17 0.00 -1.21 0.00 0.00 61.69 61.73 1ckr s THR 395 Cb -0.12 -3.78 0.33 0.00 -1.51 0.00 0.00 72.50 67.42 1ckr s THR 395 CO 0.03 0.41 2.03 1.55 -2.21 0.00 0.00 174.62 176.43 1ckr h PRO 396 N 4.09 0.21 -5.92 7.08 0.13 -1.95 -2.81 132.00 132.84 1ckr h PRO 396 Ca -0.50 -0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.04 1ckr h PRO 396 Cb 1.20 -0.05 -0.10 0.00 0.13 0.00 0.00 31.00 32.19 1ckr h PRO 396 CO 0.64 0.14 -0.57 -0.51 -0.23 0.00 0.00 178.00 177.48 1ckr s LEU 397 N -9.13 3.03 -0.59 1.56 1.43 -1.26 -2.96 118.68 110.75 1ckr s LEU 397 Ca -0.06 -1.08 -0.19 0.00 -1.03 0.00 0.00 54.13 51.76 1ckr s LEU 397 Cb 0.19 -1.32 0.09 0.00 0.03 0.00 0.00 46.19 45.18 1ckr s LEU 397 CO 0.72 -0.39 0.73 -0.94 0.23 0.00 0.00 176.35 176.71 1ckr s SER 398 N -3.79 6.19 -0.20 2.29 1.04 -1.14 -4.53 113.70 113.55 1ckr s SER 398 Ca 0.37 -1.30 -0.21 0.00 0.48 0.00 0.00 55.95 55.29 1ckr s SER 398 Cb 0.03 -2.32 -0.02 0.00 0.10 0.00 0.00 66.02 63.81 1ckr s SER 398 CO 0.20 -1.14 0.66 -0.76 0.98 0.00 0.00 173.24 173.18 1ckr s LEU 399 N 2.89 4.14 0.00 2.42 1.43 -1.26 -3.24 118.68 125.05 1ckr s LEU 399 Ca 0.14 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 1ckr s LEU 399 Cb -0.22 -2.93 0.00 0.00 0.03 0.00 0.00 46.19 43.06 1ckr s LEU 399 CO 0.08 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 176.97 1ckr n GLY 400 N 3.77 5.44 3.09 -3.19 0.00 -0.99 -4.35 105.19 108.97 1ckr n GLY 400 Ca -0.01 -1.23 -0.08 0.00 0.00 0.00 0.00 46.02 44.70 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 1.95 0.18 -0.46 -0.61 -4.36 -1.12 -2.15 121.20 114.62 1ckr s ILE 401 Ca 0.00 -1.49 -0.23 0.00 -0.26 0.00 0.00 60.65 58.68 1ckr s ILE 401 Cb 0.00 -1.21 0.03 0.00 1.25 0.00 0.00 42.46 42.53 1ckr s ILE 401 CO 0.00 -0.82 0.76 -0.70 0.24 0.00 0.00 174.94 174.42 1ckr s GLU 402 N -3.33 3.36 -0.02 0.37 -6.30 0.00 -2.59 118.70 110.19 1ckr s GLU 402 Ca 0.01 -0.20 0.04 0.00 -2.50 0.00 0.00 54.97 52.32 1ckr s GLU 402 Cb 0.03 -3.96 -0.01 0.00 0.00 0.00 0.00 34.13 30.20 1ckr s GLU 402 CO -0.08 -1.13 -0.14 0.95 0.02 0.00 0.00 175.26 174.88 1ckr s THR 403 N 3.22 1.12 0.00 -1.70 -4.23 -0.57 -3.67 115.64 109.82 1ckr s THR 403 Ca 0.28 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 1ckr s THR 403 Cb -0.13 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.77 1ckr s THR 403 CO 0.21 0.32 0.00 0.00 -0.54 0.00 0.00 174.62 174.61 1ckr n ALA 404 N 2.88 0.00 -1.15 3.99 0.00 -1.26 -1.95 120.51 123.01 1ckr n ALA 404 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.08 1ckr n ALA 404 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 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 4.13 2.36 0.00 0.00 -1.26 -4.66 105.19 105.77 1ckr n GLY 405 Ca 0.00 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.45 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 0.70 0.68 3.94 -0.02 0.00 -0.89 -4.90 105.19 104.70 1ckr n GLY 406 Ca 0.38 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.65 4.87 0.05 1.61 -7.23 -0.82 -4.08 120.40 112.13 1ckr s VAL 407 Ca 0.00 -0.46 -0.30 0.00 -1.81 0.00 0.00 61.98 59.41 1ckr s VAL 407 Cb 0.00 -3.78 -0.05 0.00 0.56 0.00 0.00 36.38 33.11 1ckr s VAL 407 CO 0.00 -0.52 1.14 -0.32 -0.31 0.00 0.00 175.10 175.09 1ckr s MET 408 N -4.37 4.47 -0.19 4.82 1.75 -1.21 -1.51 119.30 123.06 1ckr s MET 408 Ca 0.42 1.68 0.00 0.00 -1.25 0.00 0.00 55.69 56.54 1ckr s MET 408 Cb -0.10 -3.37 0.04 0.00 2.84 0.00 0.00 34.83 34.24 1ckr s MET 408 CO 0.37 -0.19 -0.08 0.99 -0.65 0.00 0.00 175.02 175.45 1ckr s THR 409 N 1.01 1.45 -0.27 10.11 2.01 -1.07 -3.53 115.64 125.34 1ckr s THR 409 Ca 0.57 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 61.66 1ckr s THR 409 Cb -0.27 -1.58 0.04 0.00 0.01 0.00 0.00 72.50 70.70 1ckr s THR 409 CO 0.29 0.13 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.62 1ckr s VAL 410 N 1.48 2.81 -0.15 3.82 1.01 -1.26 -2.80 120.40 125.31 1ckr s VAL 410 Ca -0.01 -1.28 0.17 0.00 0.00 0.00 0.00 61.98 60.86 1ckr s VAL 410 Cb -0.16 -2.54 -0.07 0.00 0.00 0.00 0.00 36.38 33.60 1ckr s VAL 410 CO -0.08 0.03 0.99 0.17 0.00 0.00 0.00 175.10 176.21 1ckr h LEU 411 N 7.97 0.00 0.00 3.92 8.10 -1.98 -3.45 115.31 129.87 1ckr h LEU 411 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.74 1ckr h LEU 411 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.30 1ckr h LEU 411 CO 0.54 0.48 0.00 -0.38 -4.11 0.00 0.00 178.44 174.97 1ckr n ILE 412 N -2.93 0.00 -3.62 0.15 2.08 -1.26 -5.04 119.36 108.74 1ckr n ILE 412 Ca -0.06 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.16 1ckr n ILE 412 Cb 0.78 -1.87 -0.02 0.00 -0.75 0.00 0.00 39.64 37.77 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 0.05 1.43 0.26 0.38 0.00 -1.26 -4.93 119.74 115.67 1ckr s LYS 413 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 55.97 55.02 1ckr s LYS 413 Cb 0.00 0.57 -0.09 0.00 0.00 0.00 0.00 37.83 38.30 1ckr s LYS 413 CO 0.00 -0.64 0.93 0.50 0.00 0.00 0.00 175.35 176.14 1ckr s ARG 414 N -3.73 4.77 -1.21 1.78 3.52 -1.26 -2.91 118.95 119.91 1ckr s ARG 414 Ca 0.06 1.43 -0.06 0.00 -0.13 0.00 0.00 55.73 57.03 1ckr s ARG 414 Cb -0.03 -3.15 -0.02 0.00 -1.56 0.00 0.00 34.95 30.20 1ckr s ARG 414 CO -0.04 0.46 0.78 0.09 -0.81 0.00 0.00 175.30 175.78 1ckr n ASN 415 N 1.24 -3.16 -4.68 -2.12 5.03 -1.13 -4.97 115.26 105.47 1ckr n ASN 415 Ca -0.01 -0.83 -0.40 0.00 0.87 0.00 0.00 54.58 54.21 1ckr n ASN 415 Cb 0.48 -4.21 -0.05 0.00 -1.02 0.00 0.00 39.78 34.98 1ckr n ASN 415 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1ckr s THR 416 N -3.55 4.99 -1.12 3.41 -1.32 -1.08 -4.82 115.64 112.15 1ckr s THR 416 Ca 0.19 1.40 -0.22 0.00 -1.21 0.00 0.00 61.69 61.86 1ckr s THR 416 Cb -0.05 -4.03 -0.01 0.00 -1.51 0.00 0.00 72.50 66.90 1ckr s THR 416 CO 0.80 0.13 1.79 -0.89 -2.21 0.00 0.00 174.62 174.25 1ckr s THR 417 N 1.61 3.75 0.44 5.08 2.01 -1.26 -1.85 115.64 125.42 1ckr s THR 417 Ca 0.34 -1.03 -0.22 0.00 0.31 0.00 0.00 61.69 61.09 1ckr s THR 417 Cb -0.17 -4.70 -0.09 0.00 0.01 0.00 0.00 72.50 67.55 1ckr s THR 417 CO 0.13 -1.43 1.02 0.27 -0.69 0.00 0.00 174.62 173.92 1ckr s ILE 418 N 7.90 3.88 0.41 1.82 -4.36 -0.86 -4.41 121.20 125.58 1ckr s ILE 418 Ca 0.61 1.28 -0.25 0.00 -0.26 0.00 0.00 60.65 62.02 1ckr s ILE 418 Cb -0.01 -3.58 -0.08 0.00 1.25 0.00 0.00 42.46 40.04 1ckr s ILE 418 CO 0.04 -0.15 1.23 -2.16 0.24 0.00 0.00 174.94 174.14 1ckr s PRO 419 N -2.92 3.97 -0.13 0.37 0.04 -1.26 -4.57 135.00 130.50 1ckr s PRO 419 Ca 0.62 1.98 -0.07 0.00 0.04 0.00 0.00 61.00 63.57 1ckr s PRO 419 Cb -0.17 -2.68 0.05 0.00 0.04 0.00 0.00 34.50 31.74 1ckr s PRO 419 CO 0.21 -0.43 0.31 -0.08 0.04 0.00 0.00 177.00 177.05 1ckr s THR 420 N -1.35 -0.06 -0.46 1.26 -1.32 -1.08 -4.94 115.64 107.68 1ckr s THR 420 Ca 0.58 0.13 -0.10 0.00 -1.21 0.00 0.00 61.69 61.09 1ckr s THR 420 Cb -0.34 -0.48 0.11 0.00 -1.51 0.00 0.00 72.50 70.28 1ckr s THR 420 CO 0.43 0.05 0.34 -0.75 -2.21 0.00 0.00 174.62 172.48 1ckr s LYS 421 N 1.39 2.56 -0.18 7.08 2.20 -1.25 -0.82 119.74 130.72 1ckr s LYS 421 Ca -0.09 -1.67 -0.03 0.00 -0.36 0.00 0.00 55.97 53.83 1ckr s LYS 421 Cb -0.10 -3.92 -0.01 0.00 -1.51 0.00 0.00 37.83 32.29 1ckr s LYS 421 CO -0.10 -1.13 -0.07 -0.65 -0.36 0.00 0.00 175.35 173.04 1ckr s GLN 422 N 1.41 3.44 -0.44 4.03 -0.21 -0.43 -4.94 119.66 122.52 1ckr s GLN 422 Ca 0.05 -0.62 -0.11 0.00 0.02 0.00 0.00 55.36 54.70 1ckr s GLN 422 Cb -0.26 -2.89 0.08 0.00 1.00 0.00 0.00 33.01 30.95 1ckr s GLN 422 CO 0.01 0.01 0.31 0.95 -2.12 0.00 0.00 175.29 174.44 1ckr s THR 423 N 0.94 4.51 -0.34 -0.19 -4.23 -1.26 -0.61 115.64 114.46 1ckr s THR 423 Ca -0.01 -1.36 -0.11 0.00 -1.18 0.00 0.00 61.69 59.03 1ckr s THR 423 Cb -0.15 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.92 1ckr s THR 423 CO 0.00 -0.57 0.19 -1.58 -0.54 0.00 0.00 174.62 172.12 1ckr s GLN 424 N 1.48 3.22 -0.33 3.99 2.00 -1.05 -4.99 119.66 123.98 1ckr s GLN 424 Ca 0.04 -0.81 -0.25 0.00 -2.00 0.00 0.00 55.36 52.33 1ckr s GLN 424 Cb -0.24 -3.67 0.01 0.00 0.80 0.00 0.00 33.01 29.91 1ckr s GLN 424 CO 0.03 -0.51 0.89 0.99 -0.50 0.00 0.00 175.29 176.19 1ckr s THR 425 N 1.62 4.67 0.20 -0.34 2.01 -1.26 -1.59 115.64 120.94 1ckr s THR 425 Ca 0.04 1.29 -0.03 0.00 0.31 0.00 0.00 61.69 63.30 1ckr s THR 425 Cb -0.18 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.02 1ckr s THR 425 CO 0.07 -0.39 0.41 -0.36 -0.69 0.00 0.00 174.62 173.66 1ckr s PHE 426 N 3.26 3.48 0.00 4.92 0.40 0.82 -4.93 117.98 125.93 1ckr s PHE 426 Ca 0.37 0.46 0.00 0.00 -0.60 0.00 0.00 56.93 57.16 1ckr s PHE 426 Cb -0.13 -1.94 0.00 0.00 0.51 0.00 0.00 43.02 41.46 1ckr s PHE 426 CO 0.15 0.36 0.00 -2.37 0.70 0.00 0.00 175.22 174.06 1ckr n THR 427 N -0.46 0.00 -4.08 0.64 5.66 0.61 -0.30 114.28 116.35 1ckr n THR 427 Ca -0.03 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.83 1ckr n THR 427 Cb 0.53 -0.24 -0.13 0.00 -1.55 0.00 0.00 70.33 68.94 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 1.70 0.39 -0.12 1.09 -4.23 -0.73 -4.10 115.64 109.63 1ckr s THR 428 Ca 0.00 -0.56 -0.15 0.00 -1.18 0.00 0.00 61.69 59.80 1ckr s THR 428 Cb 0.00 -0.40 -0.13 0.00 1.34 0.00 0.00 72.50 73.31 1ckr s THR 428 CO 0.00 -0.13 0.36 0.22 -0.54 0.00 0.00 174.62 174.53 1ckr h TYR 429 N 5.37 0.00 -3.72 3.99 3.20 -1.93 -1.64 116.97 122.24 1ckr h TYR 429 Ca -0.31 0.00 -0.56 0.00 3.14 0.00 0.00 58.73 61.00 1ckr h TYR 429 Cb 1.20 0.00 0.17 0.00 1.54 0.00 0.00 36.73 39.64 1ckr h TYR 429 CO 0.51 0.52 0.17 0.43 -1.64 0.00 0.00 178.16 178.16 1ckr n SER 430 N -4.68 0.85 -4.68 -2.11 7.64 -1.26 -3.28 113.62 106.09 1ckr n SER 430 Ca -0.06 0.76 -0.42 0.00 1.01 0.00 0.00 58.87 60.16 1ckr n SER 430 Cb 0.26 -1.42 -0.03 0.00 -1.01 0.00 0.00 64.21 62.01 1ckr n SER 430 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1ckr s ASP 431 N -1.40 7.04 -0.12 6.43 -4.77 -1.26 -3.86 116.67 118.73 1ckr s ASP 431 Ca 0.77 1.78 -0.08 0.00 -3.30 0.00 0.00 52.55 51.72 1ckr s ASP 431 Cb -0.39 -2.55 0.03 0.00 -1.09 0.00 0.00 42.92 38.92 1ckr s ASP 431 CO 0.46 -0.61 0.16 -0.46 0.70 0.00 0.00 175.17 175.42 1ckr n ASN 432 N 5.45 -3.06 -2.40 2.11 6.94 -0.07 -4.88 115.26 119.36 1ckr n ASN 432 Ca 0.11 1.21 -0.03 0.00 -0.02 0.00 0.00 54.58 55.85 1ckr n ASN 432 Cb 0.46 -3.86 -0.02 0.00 -2.36 0.00 0.00 39.78 33.99 1ckr n ASN 432 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1ckr n GLN 433 N 2.04 -4.57 -0.04 -3.83 7.27 -1.26 -4.93 117.38 112.06 1ckr n GLN 433 Ca -0.27 3.41 -0.02 0.00 0.07 0.00 0.00 57.00 60.19 1ckr n GLN 433 Cb 0.42 -4.64 -0.01 0.00 2.41 0.00 0.00 30.24 28.42 1ckr n GLN 433 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 1ckr h PRO 434 N 3.89 0.00 -0.68 3.69 0.11 -1.92 -3.49 132.00 133.60 1ckr h PRO 434 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1ckr h PRO 434 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1ckr h PRO 434 CO 0.00 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.20 1ckr n GLY 435 N 1.73 -1.33 3.02 -0.55 0.00 -1.26 -5.00 105.19 101.79 1ckr n GLY 435 Ca -0.03 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.88 1ckr n GLY 435 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ckr s VAL 436 N 0.00 0.73 -0.19 1.61 -7.23 0.14 -4.97 120.40 110.48 1ckr s VAL 436 Ca 0.00 -0.38 -0.21 0.00 -1.81 0.00 0.00 61.98 59.58 1ckr s VAL 436 Cb 0.00 -0.62 -0.03 0.00 0.56 0.00 0.00 36.38 36.30 1ckr s VAL 436 CO 0.00 0.21 0.64 -0.22 -0.31 0.00 0.00 175.10 175.42 1ckr s LEU 437 N -0.15 4.15 -0.13 1.32 1.98 -1.26 -0.67 118.68 123.92 1ckr s LEU 437 Ca 0.02 0.86 -0.01 0.00 -2.89 0.00 0.00 54.13 52.12 1ckr s LEU 437 Cb -0.04 -2.91 -0.02 0.00 0.66 0.00 0.00 46.19 43.88 1ckr s LEU 437 CO -0.00 -0.27 -0.10 -0.63 -1.89 0.00 0.00 176.35 173.45 1ckr s ILE 438 N 1.87 3.30 -0.12 6.68 -1.09 0.48 -4.87 121.20 127.45 1ckr s ILE 438 Ca 0.29 -0.58 0.01 0.00 -2.23 0.00 0.00 60.65 58.15 1ckr s ILE 438 Cb -0.16 -2.40 -0.01 0.00 -1.58 0.00 0.00 42.46 38.31 1ckr s ILE 438 CO 0.11 0.52 -0.14 -1.10 -1.23 0.00 0.00 174.94 173.09 1ckr s GLN 439 N 0.27 3.24 0.11 2.79 -0.21 -1.24 -0.98 119.66 123.64 1ckr s GLN 439 Ca -0.08 -0.71 -0.26 0.00 0.02 0.00 0.00 55.36 54.33 1ckr s GLN 439 Cb -0.15 -2.56 -0.07 0.00 1.00 0.00 0.00 33.01 31.23 1ckr s GLN 439 CO 0.05 0.26 0.82 0.08 -2.12 0.00 0.00 175.29 174.38 1ckr s VAL 440 N 0.21 4.51 -0.23 1.09 1.01 -1.16 -0.82 120.40 125.01 1ckr s VAL 440 Ca -0.09 1.78 0.02 0.00 0.00 0.00 0.00 61.98 63.69 1ckr s VAL 440 Cb -0.15 -4.18 0.05 0.00 0.00 0.00 0.00 36.38 32.09 1ckr s VAL 440 CO 0.05 0.42 -0.12 -0.31 0.00 0.00 0.00 175.10 175.15 1ckr s TYR 441 N -0.51 2.88 -0.59 5.22 2.02 -0.92 -1.16 117.35 124.29 1ckr s TYR 441 Ca 0.39 -1.97 -0.22 0.00 -0.37 0.00 0.00 57.07 54.91 1ckr s TYR 441 Cb -0.22 -1.82 0.07 0.00 -0.40 0.00 0.00 41.96 39.58 1ckr s TYR 441 CO 0.26 -0.82 0.84 -2.00 -1.57 0.00 0.00 175.55 172.26 1ckr s GLU 442 N 1.24 3.16 0.00 -0.62 2.12 -0.85 -2.34 118.70 121.41 1ckr s GLU 442 Ca -0.04 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.51 1ckr s GLU 442 Cb -0.18 -4.16 0.00 0.00 0.26 0.00 0.00 34.13 30.05 1ckr s GLU 442 CO -0.07 -1.55 0.00 0.41 -0.54 0.00 0.00 175.26 173.51 1ckr n GLY 443 N 5.23 0.18 0.00 -1.50 0.00 -1.20 -1.90 105.19 106.00 1ckr n GLY 443 Ca -0.04 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.99 1.61 4.71 -1.26 -4.79 120.64 117.92 1ckr n GLU 444 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.72 1ckr n GLU 444 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.38 1ckr n GLU 444 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1ckr s ARG 445 N 0.00 3.26 -0.69 3.49 1.81 -1.26 -4.80 118.95 120.76 1ckr s ARG 445 Ca 0.00 -0.48 -0.13 0.00 -1.72 0.00 0.00 55.73 53.40 1ckr s ARG 445 Cb 0.00 -4.05 0.02 0.00 -0.45 0.00 0.00 34.95 30.47 1ckr s ARG 445 CO 0.00 -1.31 0.42 0.00 -0.68 0.00 0.00 175.30 173.73 1ckr n ALA 446 N 6.81 -2.12 -3.41 2.13 0.00 -1.26 -4.85 120.51 117.82 1ckr n ALA 446 Ca -0.01 -0.31 0.02 0.00 0.00 0.00 0.00 53.44 53.14 1ckr n ALA 446 Cb 0.47 -1.15 0.01 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.92 0.38 -2.58 0.00 3.85 -1.26 -4.64 117.12 109.95 1ckr n MET 447 Ca -0.13 -0.81 -0.23 0.00 -1.00 0.00 0.00 57.70 55.52 1ckr n MET 447 Cb 0.41 1.07 0.00 0.00 -1.05 0.00 0.00 33.22 33.64 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 -0.31 2.10 0.00 3.17 -2.24 -1.26 -3.32 114.28 112.41 1ckr n THR 448 Ca -0.02 -4.62 0.00 0.00 -2.27 0.00 0.00 64.05 57.14 1ckr n THR 448 Cb 0.28 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 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 -0.35 0.00 -0.79 -0.78 4.81 -1.26 -5.01 118.16 114.78 1ckr n LYS 449 Ca 0.32 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.80 1ckr n LYS 449 Cb 0.66 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.79 1ckr n LYS 449 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1ckr n ASP 450 N 0.00 1.07 -4.91 3.14 9.92 -1.26 -5.12 116.55 119.39 1ckr n ASP 450 Ca 0.00 -2.56 -0.27 0.00 -0.53 0.00 0.00 54.79 51.43 1ckr n ASP 450 Cb 0.00 -0.34 0.07 0.00 -0.64 0.00 0.00 41.12 40.22 1ckr n ASP 450 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ckr s ASN 451 N -2.10 4.76 -0.55 -2.24 6.03 -1.26 -4.95 114.94 114.63 1ckr s ASN 451 Ca 0.24 0.64 -0.23 0.00 -1.03 0.00 0.00 52.86 52.49 1ckr s ASN 451 Cb 0.25 -1.25 0.05 0.00 -3.03 0.00 0.00 41.25 37.27 1ckr s ASN 451 CO -0.07 -1.68 0.86 0.20 -2.03 0.00 0.00 177.10 174.38 1ckr s ASN 452 N -4.52 6.29 -0.29 3.54 -0.87 -0.80 -4.83 114.94 113.46 1ckr s ASN 452 Ca 0.60 -0.59 -0.28 0.00 -1.57 0.00 0.00 52.86 51.02 1ckr s ASN 452 Cb -0.11 -2.39 -0.03 0.00 -0.02 0.00 0.00 41.25 38.70 1ckr s ASN 452 CO 0.47 -1.16 1.92 -0.22 -2.57 0.00 0.00 177.10 175.54 1ckr s LEU 453 N 3.59 3.51 -0.23 0.60 0.20 -1.26 -2.01 118.68 123.08 1ckr s LEU 453 Ca 0.25 1.51 -0.01 0.00 0.69 0.00 0.00 54.13 56.58 1ckr s LEU 453 Cb -0.15 -3.52 0.03 0.00 -0.43 0.00 0.00 46.19 42.11 1ckr s LEU 453 CO 0.16 -1.76 -0.10 -0.22 -0.29 0.00 0.00 176.35 174.14 1ckr s LEU 454 N 7.23 2.91 0.00 -0.68 2.96 -0.31 -5.01 118.68 125.77 1ckr s LEU 454 Ca 0.86 -0.83 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 1ckr s LEU 454 Cb -0.26 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 44.82 1ckr s LEU 454 CO 0.34 -0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.89 1ckr n GLY 455 N 4.64 1.06 0.00 7.98 0.00 -1.26 -2.97 105.19 114.63 1ckr n GLY 455 Ca -0.18 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 12.48 0.00 -3.82 1.61 2.85 -1.26 -4.76 118.16 125.27 1ckr n LYS 456 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 1ckr n LYS 456 Cb 0.00 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.30 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 -0.98 -0.02 -0.19 5.58 -0.71 -0.15 -5.01 117.98 116.49 1ckr s PHE 457 Ca 0.00 -0.10 -0.05 0.00 -1.04 0.00 0.00 56.93 55.74 1ckr s PHE 457 Cb 0.00 0.02 -0.03 0.00 -1.21 0.00 0.00 43.02 41.80 1ckr s PHE 457 CO 0.00 -0.41 0.01 -2.00 -1.34 0.00 0.00 175.22 171.48 1ckr s GLU 458 N -2.11 3.68 -0.22 1.99 2.12 -1.26 -0.39 118.70 122.52 1ckr s GLU 458 Ca -0.08 -0.49 -0.05 0.00 0.36 0.00 0.00 54.97 54.70 1ckr s GLU 458 Cb -0.03 -3.08 -0.02 0.00 0.26 0.00 0.00 34.13 31.26 1ckr s GLU 458 CO -0.01 0.08 -0.00 -1.17 -0.54 0.00 0.00 175.26 173.62 1ckr s LEU 459 N 0.82 3.16 0.02 2.70 2.96 0.16 -4.98 118.68 123.52 1ckr s LEU 459 Ca 0.01 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.64 1ckr s LEU 459 Cb -0.14 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 1ckr s LEU 459 CO 0.02 0.01 -0.02 0.42 -1.32 0.00 0.00 176.35 175.46 1ckr s THR 460 N 1.30 0.11 0.00 3.68 -4.23 -1.26 -0.69 115.64 114.55 1ckr s THR 460 Ca 0.04 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1ckr s THR 460 Cb -0.15 -0.27 0.00 0.00 1.34 0.00 0.00 72.50 73.43 1ckr s THR 460 CO 0.01 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 1ckr n GLY 461 N 1.60 0.32 3.83 3.99 0.00 -1.26 -5.07 105.19 108.60 1ckr n GLY 461 Ca -0.24 -0.64 -0.34 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 4.62 0.07 -0.61 -1.09 -1.26 -4.90 121.20 118.03 1ckr s ILE 462 Ca 0.00 1.10 -0.31 0.00 -2.23 0.00 0.00 60.65 59.22 1ckr s ILE 462 Cb 0.00 -3.71 -0.09 0.00 -1.58 0.00 0.00 42.46 37.08 1ckr s ILE 462 CO 0.00 -0.04 1.78 -2.16 -1.23 0.00 0.00 174.94 173.29 1ckr s PRO 463 N -2.59 4.16 -1.48 2.79 0.04 -1.26 -4.62 135.00 132.04 1ckr s PRO 463 Ca 0.50 2.46 -0.13 0.00 0.04 0.00 0.00 61.00 63.88 1ckr s PRO 463 Cb -0.13 -3.76 0.02 0.00 0.04 0.00 0.00 34.50 30.67 1ckr s PRO 463 CO 0.19 -0.83 2.37 -0.35 0.04 0.00 0.00 177.00 178.42 1ckr n PRO 464 N 6.21 3.11 -2.42 0.56 -0.04 -1.26 -4.25 135.00 136.91 1ckr n PRO 464 Ca 0.17 -2.59 -0.24 0.00 -0.04 0.00 0.00 63.50 60.81 1ckr n PRO 464 Cb 0.40 -3.15 0.07 0.00 -0.04 0.00 0.00 33.50 30.78 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 2.73 3.48 -0.86 0.55 0.00 -1.26 -4.65 121.76 121.75 1ckr s ALA 465 Ca 0.52 -1.25 -0.16 0.00 0.00 0.00 0.00 51.96 51.07 1ckr s ALA 465 Cb 0.15 -2.30 0.17 0.00 0.00 0.00 0.00 23.12 21.14 1ckr s ALA 465 CO -0.08 -1.20 0.92 -1.25 0.00 0.00 0.00 175.76 174.16 1ckr s PRO 466 N -5.09 3.57 0.11 0.00 0.04 -1.26 -0.89 135.00 131.48 1ckr s PRO 466 Ca 0.61 -2.09 0.00 0.00 0.04 0.00 0.00 61.00 59.56 1ckr s PRO 466 Cb -0.09 -4.64 0.00 0.00 0.04 0.00 0.00 34.50 29.81 1ckr s PRO 466 CO 0.43 -1.52 0.00 -2.13 0.04 0.00 0.00 177.00 173.82 1ckr n ARG 467 N 5.24 -3.86 0.00 4.56 3.00 -1.25 -4.57 116.66 119.78 1ckr n ARG 467 Ca 0.17 2.90 0.00 0.00 -0.00 0.00 0.00 57.85 60.92 1ckr n ARG 467 Cb 0.48 -3.15 0.00 0.00 0.00 0.00 0.00 32.46 29.79 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 1.33 1.51 0.08 5.14 0.00 -0.62 -4.79 105.19 107.85 1ckr n GLY 468 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1ckr n GLY 468 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ckr n VAL 469 N -1.02 1.60 -1.84 1.61 3.14 -1.26 -4.49 118.33 116.07 1ckr n VAL 469 Ca 0.00 -0.80 -0.41 0.00 -2.96 0.00 0.00 64.34 60.17 1ckr n VAL 469 Cb 0.00 -1.02 -0.02 0.00 -1.06 0.00 0.00 33.84 31.74 1ckr n VAL 469 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 1ckr s PRO 470 N -2.59 4.16 0.14 1.45 0.02 -1.26 -4.91 135.00 132.01 1ckr s PRO 470 Ca -0.06 2.50 -0.12 0.00 0.02 0.00 0.00 61.00 63.34 1ckr s PRO 470 Cb 0.08 -3.05 0.01 0.00 0.02 0.00 0.00 34.50 31.56 1ckr s PRO 470 CO 0.82 -0.58 0.33 1.14 -0.33 0.00 0.00 177.00 178.38 1ckr s GLN 471 N -0.34 1.09 -0.06 5.54 -2.07 -1.26 -1.77 119.66 120.79 1ckr s GLN 471 Ca 0.63 -0.94 -0.02 0.00 -1.82 0.00 0.00 55.36 53.20 1ckr s GLN 471 Cb -0.46 0.42 0.04 0.00 -1.09 0.00 0.00 33.01 31.91 1ckr s GLN 471 CO 0.45 -0.41 0.12 0.96 -1.32 0.00 0.00 175.29 175.09 1ckr s ILE 472 N -3.88 -0.11 -0.57 3.63 -0.00 0.59 -4.33 121.20 116.52 1ckr s ILE 472 Ca 0.09 0.26 -0.19 0.00 -0.00 0.00 0.00 60.65 60.81 1ckr s ILE 472 Cb 0.03 -0.22 0.09 0.00 -0.00 0.00 0.00 42.46 42.36 1ckr s ILE 472 CO -0.06 0.11 0.69 -0.70 -0.00 0.00 0.00 174.94 174.97 1ckr s GLU 473 N 1.54 3.06 -0.82 0.37 2.12 0.92 -0.12 118.70 125.77 1ckr s GLU 473 Ca -0.05 -1.21 -0.26 0.00 0.36 0.00 0.00 54.97 53.82 1ckr s GLU 473 Cb -0.12 -4.22 0.03 0.00 0.26 0.00 0.00 34.13 30.08 1ckr s GLU 473 CO -0.05 -1.47 1.40 0.08 -0.54 0.00 0.00 175.26 174.68 1ckr s VAL 474 N 2.70 3.74 -0.24 3.70 1.01 -0.62 -0.81 120.40 129.87 1ckr s VAL 474 Ca 0.12 0.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.99 1ckr s VAL 474 Cb -0.23 -4.86 -0.04 0.00 0.00 0.00 0.00 36.38 31.25 1ckr s VAL 474 CO 0.08 -1.78 0.26 -0.89 0.00 0.00 0.00 175.10 172.77 1ckr s THR 475 N 5.91 5.28 -0.52 3.92 2.01 0.63 -2.52 115.64 130.35 1ckr s THR 475 Ca 0.42 0.38 -0.08 0.00 0.31 0.00 0.00 61.69 62.71 1ckr s THR 475 Cb -0.06 -3.60 0.13 0.00 0.01 0.00 0.00 72.50 68.99 1ckr s THR 475 CO 0.07 0.27 0.39 -0.36 -0.69 0.00 0.00 174.62 174.31 1ckr s PHE 476 N 1.43 3.47 -0.57 4.92 0.40 0.22 -0.17 117.98 127.68 1ckr s PHE 476 Ca 0.12 -2.04 -0.17 0.00 -0.60 0.00 0.00 56.93 54.24 1ckr s PHE 476 Cb -0.15 -3.48 0.13 0.00 0.51 0.00 0.00 43.02 40.04 1ckr s PHE 476 CO 0.07 -0.97 0.56 0.34 0.70 0.00 0.00 175.22 175.92 1ckr s ASP 477 N 2.30 6.22 -0.00 1.36 2.15 -0.83 -1.31 116.67 126.56 1ckr s ASP 477 Ca 0.09 -1.76 -0.18 0.00 0.43 0.00 0.00 52.55 51.13 1ckr s ASP 477 Cb -0.24 -2.23 -0.06 0.00 -0.30 0.00 0.00 42.92 40.10 1ckr s ASP 477 CO -0.02 -0.90 0.50 -0.63 -0.17 0.00 0.00 175.17 173.94 1ckr s ILE 478 N 1.78 4.96 0.23 4.11 1.01 -0.00 -0.36 121.20 132.93 1ckr s ILE 478 Ca 0.06 1.03 -0.09 0.00 0.00 0.00 0.00 60.65 61.65 1ckr s ILE 478 Cb -0.28 -3.82 -0.07 0.00 0.01 0.00 0.00 42.46 38.30 1ckr s ILE 478 CO 0.03 0.49 0.54 -1.81 0.00 0.00 0.00 174.94 174.20 1ckr s ASP 479 N -0.59 6.61 0.61 3.58 1.01 0.79 -2.65 116.67 126.04 1ckr s ASP 479 Ca 0.27 0.90 0.27 0.00 0.71 0.00 0.00 52.55 54.70 1ckr s ASP 479 Cb -0.17 -2.22 1.33 0.00 1.01 0.00 0.00 42.92 42.87 1ckr s ASP 479 CO 0.15 -0.08 1.75 0.00 0.21 0.00 0.00 175.17 177.20 1ckr h ALA 480 N 2.50 2.20 -0.79 5.23 0.00 -1.87 -2.14 119.26 124.39 1ckr h ALA 480 Ca -0.47 -0.02 -0.53 0.00 0.00 0.00 0.00 54.91 53.89 1ckr h ALA 480 Cb 1.17 0.04 -0.23 0.00 0.00 0.00 0.00 17.79 18.77 1ckr h ALA 480 CO 0.69 -0.88 0.69 0.09 0.00 0.00 0.00 179.25 179.85 1ckr n ASN 481 N -3.44 7.18 -3.89 0.00 3.02 -1.26 -4.83 115.26 112.05 1ckr n ASN 481 Ca 0.09 -3.50 -0.26 0.00 -0.03 0.00 0.00 54.58 50.89 1ckr n ASN 481 Cb 0.81 -1.01 -0.01 0.00 -0.61 0.00 0.00 39.78 38.97 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 -0.41 -0.33 3.20 7.41 0.00 -0.82 -4.82 105.19 109.41 1ckr n GLY 482 Ca 0.50 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.86 2.85 -0.48 -0.61 1.01 -1.09 -4.34 121.20 114.68 1ckr s ILE 483 Ca 0.06 -1.01 -0.25 0.00 0.00 0.00 0.00 60.65 59.46 1ckr s ILE 483 Cb -0.02 -2.44 0.03 0.00 0.01 0.00 0.00 42.46 40.04 1ckr s ILE 483 CO 0.88 0.22 0.89 -0.22 0.00 0.00 0.00 174.94 176.70 1ckr s LEU 484 N 1.32 4.09 -1.10 2.97 0.20 -0.86 -0.15 118.68 125.16 1ckr s LEU 484 Ca 0.00 -0.05 -0.17 0.00 0.69 0.00 0.00 54.13 54.61 1ckr s LEU 484 Cb -0.16 -3.06 0.14 0.00 -0.43 0.00 0.00 46.19 42.68 1ckr s LEU 484 CO -0.05 -1.05 1.36 0.21 -0.29 0.00 0.00 176.35 176.52 1ckr s ASN 485 N 2.35 6.84 -0.33 3.68 2.47 0.52 -0.63 114.94 129.85 1ckr s ASN 485 Ca 0.34 -2.46 -0.22 0.00 0.42 0.00 0.00 52.86 50.93 1ckr s ASN 485 Cb -0.11 -2.43 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 1ckr s ASN 485 CO 0.24 -0.97 0.73 -0.69 -3.72 0.00 0.00 177.10 172.69 1ckr s VAL 486 N 2.54 4.82 0.28 -5.21 1.01 0.19 -1.97 120.40 122.06 1ckr s VAL 486 Ca 0.40 0.94 0.09 0.00 0.00 0.00 0.00 61.98 63.41 1ckr s VAL 486 Cb -0.03 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1ckr s VAL 486 CO -0.03 -0.29 0.04 -0.55 0.00 0.00 0.00 175.10 174.27 1ckr s SER 487 N 1.71 4.65 -0.06 3.32 0.15 0.76 -1.36 113.70 122.88 1ckr s SER 487 Ca 0.29 -0.64 -0.01 0.00 0.70 0.00 0.00 55.95 56.29 1ckr s SER 487 Cb -0.14 -0.87 0.03 0.00 -1.71 0.00 0.00 66.02 63.33 1ckr s SER 487 CO 0.14 -0.07 0.01 0.00 1.20 0.00 0.00 173.24 174.52 1ckr s ALA 488 N -2.33 0.58 -0.19 5.45 0.00 -0.77 -0.27 121.76 124.22 1ckr s ALA 488 Ca 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 1ckr s ALA 488 Cb -0.06 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.39 1ckr s ALA 488 CO 0.21 -0.42 -0.11 0.08 0.00 0.00 0.00 175.76 175.51 1ckr s VAL 489 N 1.91 2.83 -1.25 0.00 1.01 0.01 -2.57 120.40 122.33 1ckr s VAL 489 Ca 0.03 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.15 1ckr s VAL 489 Cb -0.12 -2.24 0.08 0.00 0.00 0.00 0.00 36.38 34.09 1ckr s VAL 489 CO -0.04 0.48 1.66 -1.81 0.00 0.00 0.00 175.10 175.39 1ckr s ASP 490 N 1.24 6.83 0.12 3.32 1.01 0.12 -0.05 116.67 129.25 1ckr s ASP 490 Ca 0.03 -2.40 -0.14 0.00 0.71 0.00 0.00 52.55 50.75 1ckr s ASP 490 Cb -0.14 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 1ckr s ASP 490 CO -0.05 -1.16 1.52 0.50 0.21 0.00 0.00 175.17 176.19 1ckr h LYS 491 N 7.79 0.74 -0.21 8.23 3.64 -1.80 0.12 116.57 135.07 1ckr h LYS 491 Ca 0.40 -0.29 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1ckr h LYS 491 Cb 0.89 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1ckr h LYS 491 CO 1.43 0.89 0.14 0.77 -2.27 0.00 0.00 179.45 180.41 1ckr h SER 492 N 0.54 0.17 0.86 4.20 0.02 -1.89 -1.01 113.55 116.45 1ckr h SER 492 Ca 0.09 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1ckr h SER 492 Cb 0.63 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1ckr h SER 492 CO 0.04 0.12 -0.10 0.41 -1.14 0.00 0.00 176.83 176.16 1ckr n THR 493 N -4.50 0.00 -3.84 -2.27 -1.04 -1.04 -5.02 114.28 96.56 1ckr n THR 493 Ca 0.01 -0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.72 1ckr n THR 493 Cb 0.14 -0.34 0.01 0.00 -1.82 0.00 0.00 70.33 68.32 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 1.48 -1.17 2.94 3.41 0.00 0.35 -5.02 105.19 107.18 1ckr n GLY 494 Ca 0.07 0.52 -0.15 0.00 0.00 0.00 0.00 46.02 46.47 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 -5.58 0.12 0.12 1.61 2.47 -0.85 -5.00 119.74 112.62 1ckr s LYS 495 Ca 0.15 0.66 0.05 0.00 -1.56 0.00 0.00 55.97 55.27 1ckr s LYS 495 Cb -0.08 -0.19 -0.04 0.00 -1.46 0.00 0.00 37.83 36.07 1ckr s LYS 495 CO 0.91 -0.32 -0.11 -1.83 0.16 0.00 0.00 175.35 174.16 1ckr s GLU 496 N 2.38 0.96 -0.01 4.03 -1.05 -1.26 0.12 118.70 123.87 1ckr s GLU 496 Ca 0.02 -1.25 0.03 0.00 -0.15 0.00 0.00 54.97 53.62 1ckr s GLU 496 Cb -0.12 -0.68 -0.01 0.00 -0.44 0.00 0.00 34.13 32.88 1ckr s GLU 496 CO -0.08 0.11 -0.09 1.21 0.95 0.00 0.00 175.26 177.36 1ckr s ASN 497 N -2.62 1.06 0.01 0.83 2.47 -1.06 -4.99 114.94 110.64 1ckr s ASN 497 Ca 0.09 -0.16 -0.03 0.00 0.42 0.00 0.00 52.86 53.18 1ckr s ASN 497 Cb -0.02 -0.14 -0.01 0.00 -1.45 0.00 0.00 41.25 39.63 1ckr s ASN 497 CO 0.01 0.10 0.05 -1.59 -3.72 0.00 0.00 177.10 171.95 1ckr s LYS 498 N -0.16 0.37 -0.05 0.43 -2.85 -1.26 -1.85 119.74 114.35 1ckr s LYS 498 Ca 0.03 -0.47 0.06 0.00 -1.00 0.00 0.00 55.97 54.59 1ckr s LYS 498 Cb -0.04 0.14 -0.01 0.00 -2.06 0.00 0.00 37.83 35.86 1ckr s LYS 498 CO -0.00 -0.07 -0.25 -1.50 0.10 0.00 0.00 175.35 173.62 1ckr s ILE 499 N -1.32 2.03 -0.47 3.79 2.07 -0.47 -4.96 121.20 121.88 1ckr s ILE 499 Ca -0.14 -1.06 -0.14 0.00 -1.41 0.00 0.00 60.65 57.89 1ckr s ILE 499 Cb -0.08 -1.72 0.08 0.00 0.13 0.00 0.00 42.46 40.87 1ckr s ILE 499 CO 0.00 0.57 0.38 -0.89 -1.91 0.00 0.00 174.94 173.09 1ckr s THR 500 N -0.20 5.03 -0.38 4.00 2.01 -1.26 -0.64 115.64 124.21 1ckr s THR 500 Ca -0.02 -1.18 -0.22 0.00 0.31 0.00 0.00 61.69 60.58 1ckr s THR 500 Cb -0.13 -4.04 0.01 0.00 0.01 0.00 0.00 72.50 68.34 1ckr s THR 500 CO 0.03 -0.60 0.69 -0.63 -0.69 0.00 0.00 174.62 173.43 1ckr s ILE 501 N 1.59 4.81 -0.14 1.82 1.01 0.20 -4.93 121.20 125.57 1ckr s ILE 501 Ca 0.04 0.61 -0.23 0.00 0.00 0.00 0.00 60.65 61.07 1ckr s ILE 501 Cb -0.25 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.04 1ckr s ILE 501 CO 0.05 -0.42 0.70 0.42 0.00 0.00 0.00 174.94 175.69 1ckr s THR 502 N 2.89 5.00 -1.33 2.92 -4.23 -1.26 -2.03 115.64 117.60 1ckr s THR 502 Ca 0.27 1.38 -0.14 0.00 -1.18 0.00 0.00 61.69 62.02 1ckr s THR 502 Cb -0.14 -4.02 0.10 0.00 1.34 0.00 0.00 72.50 69.78 1ckr s THR 502 CO 0.17 0.15 1.89 -3.20 -0.54 0.00 0.00 174.62 173.09 1ckr n ASN 503 N 4.56 4.66 -0.08 3.99 2.85 -1.26 -4.63 115.26 125.35 1ckr n ASN 503 Ca -0.00 -2.95 -0.10 0.00 -0.11 0.00 0.00 54.58 51.42 1ckr n ASN 503 Cb 0.50 -1.62 -0.10 0.00 1.24 0.00 0.00 39.78 39.80 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 5.94 1.87 -4.09 1.20 8.00 -1.26 -4.90 116.55 123.31 1ckr n ASP 504 Ca 0.46 -0.04 -0.32 0.00 0.71 0.00 0.00 54.79 55.59 1ckr n ASP 504 Cb 0.40 0.36 -0.15 0.00 -0.02 0.00 0.00 41.12 41.71 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 -2.37 2.34 0.00 -1.24 1.02 -1.26 -4.81 119.74 113.42 1ckr s LYS 505 Ca -0.15 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 54.55 1ckr s LYS 505 Cb 0.05 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 1ckr s LYS 505 CO 0.53 -0.54 0.00 0.41 -0.92 0.00 0.00 175.35 174.83 1ckr n GLY 506 N 4.47 1.10 3.81 -3.33 0.00 -1.26 -5.05 105.19 104.94 1ckr n GLY 506 Ca -0.15 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.59 -0.32 1.61 3.00 -1.26 -4.95 116.66 111.15 1ckr n ARG 506 Ca 0.00 0.50 0.13 0.00 -0.01 0.00 0.00 57.85 58.47 1ckr n ARG 506 Cb 0.00 -4.73 0.27 0.00 0.00 0.00 0.00 32.46 28.00 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 -1.85 -0.36 0.00 0.55 -0.00 -2.01 -3.48 115.31 108.17 1ckr h LEU 507 Ca -0.63 0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 1ckr h LEU 507 Cb 1.37 0.42 0.00 0.00 -0.00 0.00 0.00 40.66 42.44 1ckr h LEU 507 CO 0.58 -0.29 0.00 -0.24 -0.00 0.00 0.00 178.44 178.49 1ckr n SER 508 N -5.41 0.00 -0.34 0.17 2.88 -1.26 -2.75 113.62 106.91 1ckr n SER 508 Ca 0.21 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.89 1ckr n SER 508 Cb 0.70 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 64.51 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 0.69 0.37 -1.46 -0.00 -1.99 -2.63 116.57 111.56 1ckr h LYS 509 Ca 0.00 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.65 60.59 1ckr h LYS 509 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 32.23 32.08 1ckr h LYS 509 CO 0.00 0.46 -0.18 1.05 -0.00 0.00 0.00 179.45 180.78 1ckr h GLU 510 N 0.71 -0.48 0.14 0.07 4.11 -1.96 -2.79 114.58 114.38 1ckr h GLU 510 Ca 0.57 0.03 -0.01 0.00 0.07 0.00 0.00 59.36 60.02 1ckr h GLU 510 Cb 0.95 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1ckr h GLU 510 CO -0.35 -0.22 -0.07 -0.44 0.07 0.00 0.00 179.01 178.00 1ckr h ASP 511 N -1.06 -0.16 -0.27 3.06 3.32 -1.62 -2.91 116.42 116.80 1ckr h ASP 511 Ca -0.05 -0.27 0.06 0.00 0.02 0.00 0.00 57.03 56.79 1ckr h ASP 511 Cb 0.48 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.01 1ckr h ASP 511 CO 0.08 0.19 -0.13 0.40 -1.72 0.00 0.00 179.24 178.07 1ckr h ILE 512 N -0.53 0.60 -0.88 0.35 5.03 -1.63 -1.52 117.51 118.93 1ckr h ILE 512 Ca -0.02 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.76 1ckr h ILE 512 Cb 0.42 0.60 -0.05 0.00 -3.03 0.00 0.00 36.82 34.75 1ckr h ILE 512 CO 0.03 0.00 0.58 -0.08 -0.68 0.00 0.00 178.15 178.00 1ckr h GLU 513 N -0.09 1.05 -0.07 2.37 4.57 -1.60 -2.15 114.58 118.66 1ckr h GLU 513 Ca 0.14 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1ckr h GLU 513 Cb 0.30 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1ckr h GLU 513 CO -0.33 0.69 -0.11 0.07 -1.18 0.00 0.00 179.01 178.16 1ckr h ARG 514 N 1.08 0.19 0.00 1.92 0.11 -1.24 -3.33 114.38 113.11 1ckr h ARG 514 Ca 0.35 -0.12 -0.01 0.00 0.10 0.00 0.00 59.98 60.31 1ckr h ARG 514 Cb 0.06 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.15 1ckr h ARG 514 CO -0.11 0.69 -0.06 0.00 0.10 0.00 0.00 179.97 180.59 1ckr h MET 515 N -0.28 0.00 -0.00 0.08 -0.00 -1.29 -3.39 114.93 110.05 1ckr h MET 515 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.71 1ckr h MET 515 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.27 1ckr h MET 515 CO 0.03 0.38 -0.01 1.55 -0.00 0.00 0.00 176.91 178.86 1ckr n VAL 516 N -4.70 0.00 -2.14 -0.10 3.14 -0.81 -0.40 118.33 113.31 1ckr n VAL 516 Ca -0.05 -0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.93 1ckr n VAL 516 Cb 0.20 -0.47 0.00 0.00 -1.06 0.00 0.00 33.84 32.51 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 -1.34 4.73 0.00 1.45 6.02 -1.25 -3.48 117.38 123.51 1ckr n GLN 517 Ca 0.12 -3.71 0.00 0.00 -0.01 0.00 0.00 57.00 53.40 1ckr n GLN 517 Cb 0.27 -2.61 0.00 0.00 1.02 0.00 0.00 30.24 28.92 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 1.45 0.00 0.00 -1.09 0.28 -1.23 -5.01 120.64 115.03 1ckr n GLU 518 Ca 0.58 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.58 1ckr n GLU 518 Cb 0.25 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.12 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 0.00 0.00 -0.26 -1.84 0.00 0.46 -0.81 120.51 118.07 1ckr n ALA 519 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1ckr n ALA 519 Cb 0.00 0.07 0.19 0.00 0.00 0.00 0.00 19.45 19.71 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 0.34 0.00 0.00 -0.00 -1.85 0.30 114.58 113.37 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 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 28.67 1ckr h GLU 520 CO 0.00 0.22 0.00 1.63 -0.00 0.00 0.00 179.01 180.86 1ckr n LYS 521 N -5.08 0.00 0.00 1.06 5.02 -1.25 -2.83 118.16 115.08 1ckr n LYS 521 Ca 0.15 0.46 0.06 0.00 -2.02 0.00 0.00 58.31 56.95 1ckr n LYS 521 Cb 0.46 -1.27 0.33 0.00 -0.02 0.00 0.00 35.03 34.52 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 -1.61 0.00 -0.08 2.13 4.19 0.01 -2.48 117.16 119.32 1ckr n TYR 522 Ca 0.00 0.00 -0.07 0.00 3.31 0.00 0.00 57.90 61.14 1ckr n TYR 522 Cb 0.00 -0.06 -0.03 0.00 0.49 0.00 0.00 39.34 39.75 1ckr n TYR 522 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1ckr n LYS 523 N -1.06 0.49 0.22 2.98 5.02 0.10 -0.77 118.16 125.15 1ckr n LYS 523 Ca 0.08 0.40 0.15 0.00 -2.02 0.00 0.00 58.31 56.92 1ckr n LYS 523 Cb 0.05 -1.59 0.78 0.00 -0.02 0.00 0.00 35.03 34.25 1ckr n LYS 523 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ckr h ALA 524 N -0.99 1.00 0.00 7.82 0.00 -1.58 0.69 119.26 126.21 1ckr h ALA 524 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 1ckr h ALA 524 Cb 0.75 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1ckr h ALA 524 CO -0.02 0.00 -1.32 1.49 0.00 0.00 0.00 179.25 179.41 1ckr h GLU 525 N 0.00 0.00 0.00 0.00 4.81 -1.66 -2.91 114.58 114.81 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 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1ckr h GLU 525 CO 0.00 0.77 0.08 -3.47 -0.73 0.00 0.00 179.01 175.66 1ckr n ASP 526 N -3.21 0.34 -0.91 1.04 2.03 0.18 -4.87 116.55 111.14 1ckr n ASP 526 Ca -0.08 0.62 0.00 0.00 0.52 0.00 0.00 54.79 55.85 1ckr n ASP 526 Cb 0.99 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 1ckr n ASP 526 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ckr n GLU 527 N -1.96 0.00 -3.46 -0.67 1.02 -0.84 -4.15 120.64 110.58 1ckr n GLU 527 Ca -0.01 0.10 -0.21 0.00 -0.02 0.00 0.00 57.16 57.02 1ckr n GLU 527 Cb 0.10 -0.91 0.04 0.00 -0.02 0.00 0.00 31.44 30.65 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 -0.81 -1.54 0.00 3.49 4.01 -1.17 -4.85 118.16 117.29 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 0.30 -4.73 0.00 0.00 -0.51 0.00 0.00 35.03 30.10 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 -3.34 0.00 -1.31 1.97 0.00 -0.98 -0.63 117.38 113.09 1ckr n GLN 529 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 57.00 56.71 1ckr n GLN 529 Cb 0.59 0.00 0.12 0.00 0.00 0.00 0.00 30.24 30.95 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 -0.25 2.57 -0.01 2.61 5.12 -1.23 -4.50 116.66 120.97 1ckr n ARG 530 Ca 0.00 -3.46 -0.17 0.00 -1.93 0.00 0.00 57.85 52.30 1ckr n ARG 530 Cb 0.00 -2.10 -0.10 0.00 -1.16 0.00 0.00 32.46 29.10 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 1.57 0.59 -2.92 0.55 3.58 -1.05 -3.39 116.42 115.35 1ckr h ASP 531 Ca 0.41 -0.69 -0.59 0.00 0.42 0.00 0.00 57.03 56.58 1ckr h ASP 531 Cb 1.54 -0.18 -0.11 0.00 1.72 0.00 0.00 39.33 42.31 1ckr h ASP 531 CO 0.89 1.19 0.73 -0.54 -2.88 0.00 0.00 179.24 178.64 1ckr s LYS 532 N -3.48 3.29 0.00 0.28 -0.14 -1.23 -4.32 119.74 114.14 1ckr s LYS 532 Ca -0.13 -0.29 0.00 0.00 -1.36 0.00 0.00 55.97 54.19 1ckr s LYS 532 Cb 0.05 -4.11 0.00 0.00 -1.68 0.00 0.00 37.83 32.09 1ckr s LYS 532 CO 0.83 -1.72 0.00 1.55 -0.76 0.00 0.00 175.35 175.25 1ckr n VAL 533 N 6.26 0.00 0.12 3.17 3.14 -0.63 -5.00 118.33 125.38 1ckr n VAL 533 Ca 0.02 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.26 1ckr n VAL 533 Cb 0.48 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.18 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 -0.21 0.00 6.55 0.87 -1.82 -3.45 113.55 115.49 1ckr h SER 534 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1ckr h SER 534 Cb 0.00 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1ckr h SER 534 CO 0.00 -0.08 0.00 -0.24 -0.53 0.00 0.00 176.83 175.98 1ckr n SER 535 N -5.16 -0.03 0.00 6.23 2.88 -1.26 -5.03 113.62 111.24 1ckr n SER 535 Ca -0.09 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1ckr n SER 535 Cb 0.15 0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1ckr n SER 535 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1ckr n LYS 536 N -3.37 0.00 -1.70 -1.46 0.00 -1.26 -4.94 118.16 105.44 1ckr n LYS 536 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 58.31 57.96 1ckr n LYS 536 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.04 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 0.00 7.18 -4.48 3.14 4.13 -1.26 -1.61 115.26 122.37 1ckr n ASN 537 Ca 0.00 -3.61 -0.34 0.00 1.68 0.00 0.00 54.58 52.31 1ckr n ASN 537 Cb 0.00 -1.11 -0.12 0.00 -1.54 0.00 0.00 39.78 37.00 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 -0.65 4.78 -1.13 6.41 1.04 -1.26 -0.28 113.70 122.61 1ckr s SER 538 Ca 0.54 -0.16 -0.08 0.00 0.48 0.00 0.00 55.95 56.73 1ckr s SER 538 Cb 0.42 -1.79 0.27 0.00 0.10 0.00 0.00 66.02 65.02 1ckr s SER 538 CO -0.31 0.13 1.29 0.00 0.98 0.00 0.00 173.24 175.33 1ckr n LEU 539 N 3.78 5.78 0.00 2.42 -0.00 -1.26 -2.93 117.00 124.79 1ckr n LEU 539 Ca -0.17 -5.00 0.00 0.00 -0.00 0.00 0.00 56.01 50.84 1ckr n LEU 539 Cb 0.52 -1.44 0.00 0.00 -0.00 0.00 0.00 43.42 42.50 1ckr n LEU 539 CO 0.32 1.36 0.00 -1.84 -0.00 0.00 0.00 177.39 177.24