#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 2.99 -2.65 4.33 0.00 -1.26 -4.92 120.64 119.13 1ckr n GLU 384 Ca 0.00 -2.80 -0.43 0.00 0.00 0.00 0.00 57.16 53.93 1ckr n GLU 384 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 31.44 28.18 1ckr n GLU 384 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1ckr n ASN 385 N 6.02 5.06 -4.26 -1.84 4.13 -1.26 -4.92 115.26 118.19 1ckr n ASN 385 Ca 0.50 -3.00 -0.43 0.00 1.68 0.00 0.00 54.58 53.33 1ckr n ASN 385 Cb 0.39 -1.58 0.00 0.00 -1.54 0.00 0.00 39.78 37.06 1ckr n ASN 385 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1ckr n VAL 386 N 4.52 3.96 -3.55 2.41 0.24 -1.26 -4.89 118.33 119.77 1ckr n VAL 386 Ca 0.40 -4.04 -0.33 0.00 -2.04 0.00 0.00 64.34 58.34 1ckr n VAL 386 Cb 0.41 -2.44 -0.07 0.00 -1.47 0.00 0.00 33.84 30.27 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 6.62 2.70 -2.72 7.34 6.02 -1.26 -5.03 117.38 131.06 1ckr n GLN 387 Ca 0.46 -4.55 -0.43 0.00 -0.01 0.00 0.00 57.00 52.47 1ckr n GLN 387 Cb 0.42 -2.36 -0.00 0.00 1.02 0.00 0.00 30.24 29.32 1ckr n GLN 387 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ckr s ASP 388 N -1.27 6.89 -1.25 1.08 1.01 -1.26 -4.94 116.67 116.93 1ckr s ASP 388 Ca 0.31 -2.55 -0.15 0.00 0.71 0.00 0.00 52.55 50.87 1ckr s ASP 388 Cb 0.01 -2.51 0.13 0.00 1.01 0.00 0.00 42.92 41.56 1ckr s ASP 388 CO -0.07 -1.04 1.58 -0.11 0.21 0.00 0.00 175.17 175.73 1ckr n LEU 389 N 7.42 5.18 -4.67 1.23 7.94 -1.26 -5.00 117.00 127.85 1ckr n LEU 389 Ca 0.43 -4.26 -0.40 0.00 -1.11 0.00 0.00 56.01 50.66 1ckr n LEU 389 Cb 0.45 -1.67 -0.05 0.00 0.53 0.00 0.00 43.42 42.69 1ckr n LEU 389 CO 0.70 0.54 0.44 -1.48 -1.11 0.00 0.00 177.39 176.48 1ckr s LEU 390 N 2.53 4.16 0.33 -1.96 2.34 -1.26 -5.08 118.68 119.74 1ckr s LEU 390 Ca 0.47 0.95 -0.21 0.00 0.06 0.00 0.00 54.13 55.40 1ckr s LEU 390 Cb 0.00 -3.00 -0.10 0.00 -0.56 0.00 0.00 46.19 42.54 1ckr s LEU 390 CO 0.03 -0.30 0.85 -1.48 -1.06 0.00 0.00 176.35 174.39 1ckr s LEU 391 N 1.93 4.16 -0.03 1.48 0.05 -1.26 -5.10 118.68 119.90 1ckr s LEU 391 Ca 0.32 1.58 0.02 0.00 0.05 0.00 0.00 54.13 56.10 1ckr s LEU 391 Cb -0.16 -4.09 0.01 0.00 -2.05 0.00 0.00 46.19 39.89 1ckr s LEU 391 CO 0.11 -0.16 -0.09 -0.76 -0.55 0.00 0.00 176.35 174.90 1ckr s LEU 392 N -2.58 1.71 -1.25 1.48 1.43 -1.26 -5.08 118.68 113.14 1ckr s LEU 392 Ca 0.53 -0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 53.30 1ckr s LEU 392 Cb -0.13 -0.57 0.15 0.00 0.03 0.00 0.00 46.19 45.67 1ckr s LEU 392 CO 0.19 0.05 1.61 0.47 0.23 0.00 0.00 176.35 178.89 1ckr n ASP 393 N 3.44 5.10 -4.86 2.29 8.00 -1.26 -5.00 116.55 124.25 1ckr n ASP 393 Ca -0.20 -2.99 -0.35 0.00 0.71 0.00 0.00 54.79 51.96 1ckr n ASP 393 Cb 0.54 -1.58 -0.06 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 1.75 5.30 0.01 2.53 -7.23 -1.26 -2.15 120.40 119.36 1ckr s VAL 394 Ca 0.44 -0.05 -0.17 0.00 -1.81 0.00 0.00 61.98 60.39 1ckr s VAL 394 Cb 0.02 -3.39 -0.06 0.00 0.56 0.00 0.00 36.38 33.51 1ckr s VAL 394 CO 0.01 0.46 0.47 0.28 -0.31 0.00 0.00 175.10 176.02 1ckr s THR 395 N -1.16 4.94 0.52 5.32 -1.32 -0.64 -4.86 115.64 118.44 1ckr s THR 395 Ca 0.21 0.99 0.20 0.00 -1.21 0.00 0.00 61.69 61.88 1ckr s THR 395 Cb -0.12 -3.79 0.33 0.00 -1.51 0.00 0.00 72.50 67.40 1ckr s THR 395 CO 0.11 0.54 2.08 1.55 -2.21 0.00 0.00 174.62 176.69 1ckr h PRO 396 N 4.89 0.01 -5.99 7.08 0.13 -1.94 -2.62 132.00 133.56 1ckr h PRO 396 Ca -0.50 -0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.05 1ckr h PRO 396 Cb 1.21 -0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 1ckr h PRO 396 CO 0.64 0.01 -0.61 -1.17 -0.23 0.00 0.00 178.00 176.64 1ckr s LEU 397 N -8.94 2.98 -0.48 1.56 0.20 -1.26 -2.95 118.68 109.79 1ckr s LEU 397 Ca -0.05 -1.02 -0.20 0.00 0.69 0.00 0.00 54.13 53.54 1ckr s LEU 397 Cb 0.18 -1.33 0.04 0.00 -0.43 0.00 0.00 46.19 44.66 1ckr s LEU 397 CO 0.70 -0.28 0.66 -0.55 -0.29 0.00 0.00 176.35 176.60 1ckr s SER 398 N -3.73 6.27 -0.13 3.68 0.15 -1.18 -4.61 113.70 114.16 1ckr s SER 398 Ca 0.35 -0.63 -0.17 0.00 0.70 0.00 0.00 55.95 56.21 1ckr s SER 398 Cb 0.01 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.96 1ckr s SER 398 CO 0.19 -0.88 0.43 -0.76 1.20 0.00 0.00 173.24 173.42 1ckr s LEU 399 N 2.85 4.27 0.00 3.45 1.43 -1.26 -3.37 118.68 126.05 1ckr s LEU 399 Ca 0.20 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 1ckr s LEU 399 Cb -0.16 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.44 1ckr s LEU 399 CO 0.15 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.38 1ckr n GLY 400 N 3.26 5.04 3.09 -3.19 0.00 -1.09 -4.33 105.19 107.97 1ckr n GLY 400 Ca -0.08 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 1ckr n GLY 400 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ckr s ILE 401 N 0.91 0.09 -0.33 -0.61 -4.36 -1.09 -2.56 121.20 113.25 1ckr s ILE 401 Ca 0.00 -0.78 -0.22 0.00 -0.26 0.00 0.00 60.65 59.38 1ckr s ILE 401 Cb 0.00 -0.48 0.00 0.00 1.25 0.00 0.00 42.46 43.23 1ckr s ILE 401 CO 0.00 -0.43 0.73 -0.70 0.24 0.00 0.00 174.94 174.78 1ckr s GLU 402 N -1.58 3.86 -0.00 0.37 -6.30 0.04 -2.39 118.70 112.69 1ckr s GLU 402 Ca -0.14 0.39 0.01 0.00 -2.50 0.00 0.00 54.97 52.74 1ckr s GLU 402 Cb -0.07 -3.76 -0.00 0.00 0.00 0.00 0.00 34.13 30.30 1ckr s GLU 402 CO 0.00 -0.71 -0.05 0.95 0.02 0.00 0.00 175.26 175.48 1ckr s THR 403 N 2.89 0.36 0.00 -1.70 -4.23 -0.73 -3.64 115.64 108.58 1ckr s THR 403 Ca 0.30 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 1ckr s THR 403 Cb -0.14 -0.31 0.00 0.00 1.34 0.00 0.00 72.50 73.39 1ckr s THR 403 CO 0.14 0.07 0.00 0.00 -0.54 0.00 0.00 174.62 174.29 1ckr n ALA 404 N 2.90 0.00 -1.11 3.99 0.00 -1.26 -2.24 120.51 122.78 1ckr n ALA 404 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.08 1ckr n ALA 404 Cb 0.58 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.06 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 4.53 2.62 0.00 0.00 -1.26 -4.71 105.19 106.37 1ckr n GLY 405 Ca 0.00 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 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 0.17 1.34 3.91 -0.02 0.00 -0.95 -4.91 105.19 104.73 1ckr n GLY 406 Ca 0.40 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.27 4.94 0.16 1.61 -7.23 -1.11 -4.14 120.40 112.37 1ckr s VAL 407 Ca 0.00 0.09 -0.30 0.00 -1.81 0.00 0.00 61.98 59.96 1ckr s VAL 407 Cb 0.00 -3.85 -0.07 0.00 0.56 0.00 0.00 36.38 33.02 1ckr s VAL 407 CO 0.00 -0.75 0.95 -0.32 -0.31 0.00 0.00 175.10 174.67 1ckr s MET 408 N -4.55 4.76 -0.13 4.82 1.75 -1.17 -1.78 119.30 123.00 1ckr s MET 408 Ca 0.46 1.45 0.01 0.00 -1.25 0.00 0.00 55.69 56.36 1ckr s MET 408 Cb -0.10 -3.34 0.02 0.00 2.84 0.00 0.00 34.83 34.25 1ckr s MET 408 CO 0.42 0.34 -0.13 0.99 -0.65 0.00 0.00 175.02 175.99 1ckr s THR 409 N -0.49 1.43 -0.19 10.11 2.01 -1.01 -4.31 115.64 123.19 1ckr s THR 409 Ca 0.44 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.90 1ckr s THR 409 Cb -0.24 -1.35 0.03 0.00 0.01 0.00 0.00 72.50 70.95 1ckr s THR 409 CO 0.30 0.43 -0.17 0.54 -0.69 0.00 0.00 174.62 175.03 1ckr s VAL 410 N 1.38 2.02 -0.23 3.82 0.11 -1.26 -2.68 120.40 123.56 1ckr s VAL 410 Ca 0.02 -1.05 0.22 0.00 -2.93 0.00 0.00 61.98 58.24 1ckr s VAL 410 Cb -0.13 -1.90 -0.02 0.00 -1.53 0.00 0.00 36.38 32.79 1ckr s VAL 410 CO -0.08 0.40 1.01 0.00 -3.33 0.00 0.00 175.10 173.11 1ckr n LEU 411 N 4.60 0.79 0.00 2.54 -0.00 -1.26 -4.93 117.00 118.74 1ckr n LEU 411 Ca -0.19 0.30 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 1ckr n LEU 411 Cb 0.48 -0.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1ckr n LEU 411 CO 0.24 -0.17 0.00 -0.38 -0.00 0.00 0.00 177.39 177.08 1ckr n ILE 412 N -2.64 0.00 -3.57 1.47 2.08 -1.26 -5.01 119.36 110.43 1ckr n ILE 412 Ca -0.00 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.22 1ckr n ILE 412 Cb 0.55 -1.63 -0.02 0.00 -0.75 0.00 0.00 39.64 37.79 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 0.61 1.25 0.21 0.38 0.00 -1.26 -4.94 119.74 115.99 1ckr s LYS 413 Ca 0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 55.97 55.11 1ckr s LYS 413 Cb 0.00 0.52 -0.09 0.00 0.00 0.00 0.00 37.83 38.25 1ckr s LYS 413 CO 0.00 -0.56 1.41 0.50 0.00 0.00 0.00 175.35 176.70 1ckr s ARG 414 N -3.57 4.30 -1.12 1.78 6.06 -1.26 -3.08 118.95 122.07 1ckr s ARG 414 Ca 0.05 2.20 -0.17 0.00 -2.50 0.00 0.00 55.73 55.32 1ckr s ARG 414 Cb -0.02 -3.16 -0.02 0.00 0.06 0.00 0.00 34.95 31.81 1ckr s ARG 414 CO -0.06 -0.40 0.82 0.09 -2.50 0.00 0.00 175.30 173.25 1ckr n ASN 415 N 2.85 -5.52 -4.67 -2.12 5.03 -1.15 -4.95 115.26 104.72 1ckr n ASN 415 Ca 0.08 -0.94 -0.42 0.00 0.87 0.00 0.00 54.58 54.18 1ckr n ASN 415 Cb 0.41 -3.85 -0.04 0.00 -1.02 0.00 0.00 39.78 35.28 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 -3.45 4.87 -0.91 3.41 -1.32 -0.99 -4.82 115.64 112.42 1ckr s THR 416 Ca 0.46 1.69 -0.25 0.00 -1.21 0.00 0.00 61.69 62.38 1ckr s THR 416 Cb -0.14 -4.16 -0.05 0.00 -1.51 0.00 0.00 72.50 66.64 1ckr s THR 416 CO 0.83 0.02 1.95 -0.89 -2.21 0.00 0.00 174.62 174.32 1ckr s THR 417 N 2.12 3.45 0.32 5.08 2.01 -1.26 -1.63 115.64 125.74 1ckr s THR 417 Ca 0.40 -0.38 -0.14 0.00 0.31 0.00 0.00 61.69 61.88 1ckr s THR 417 Cb -0.17 -4.01 -0.09 0.00 0.01 0.00 0.00 72.50 68.25 1ckr s THR 417 CO 0.13 -0.94 0.72 0.27 -0.69 0.00 0.00 174.62 174.11 1ckr s ILE 418 N 10.12 4.71 0.43 1.82 -4.36 -0.91 -4.39 121.20 128.62 1ckr s ILE 418 Ca 0.70 0.87 -0.24 0.00 -0.26 0.00 0.00 60.65 61.72 1ckr s ILE 418 Cb -0.07 -3.62 -0.08 0.00 1.25 0.00 0.00 42.46 39.94 1ckr s ILE 418 CO -0.00 -0.21 1.22 -2.16 0.24 0.00 0.00 174.94 174.02 1ckr s PRO 419 N -3.05 3.86 -0.14 0.37 0.04 -1.26 -4.65 135.00 130.16 1ckr s PRO 419 Ca 0.53 1.93 -0.08 0.00 0.04 0.00 0.00 61.00 63.42 1ckr s PRO 419 Cb -0.10 -2.57 0.05 0.00 0.04 0.00 0.00 34.50 31.91 1ckr s PRO 419 CO 0.19 -0.51 0.34 -0.08 0.04 0.00 0.00 177.00 176.98 1ckr s THR 420 N -1.41 -0.03 -0.48 1.26 -1.32 -1.06 -4.94 115.64 107.66 1ckr s THR 420 Ca 0.60 0.10 -0.11 0.00 -1.21 0.00 0.00 61.69 61.08 1ckr s THR 420 Cb -0.33 -0.51 0.12 0.00 -1.51 0.00 0.00 72.50 70.28 1ckr s THR 420 CO 0.41 0.04 0.37 -0.75 -2.21 0.00 0.00 174.62 172.48 1ckr s LYS 421 N 1.18 2.58 -0.16 7.08 2.20 -1.25 -0.80 119.74 130.57 1ckr s LYS 421 Ca -0.08 -1.75 -0.03 0.00 -0.36 0.00 0.00 55.97 53.74 1ckr s LYS 421 Cb -0.08 -4.00 -0.02 0.00 -1.51 0.00 0.00 37.83 32.21 1ckr s LYS 421 CO -0.09 -1.22 -0.04 -0.65 -0.36 0.00 0.00 175.35 172.98 1ckr s GLN 422 N 1.41 3.62 -0.40 4.03 -0.21 -0.57 -4.94 119.66 122.60 1ckr s GLN 422 Ca 0.05 -0.54 -0.05 0.00 0.02 0.00 0.00 55.36 54.84 1ckr s GLN 422 Cb -0.27 -2.91 0.09 0.00 1.00 0.00 0.00 33.01 30.93 1ckr s GLN 422 CO 0.00 0.19 0.21 0.95 -2.12 0.00 0.00 175.29 174.52 1ckr s THR 423 N 0.48 3.60 -0.35 -0.19 -4.23 -1.26 -0.73 115.64 112.96 1ckr s THR 423 Ca -0.04 -1.76 -0.12 0.00 -1.18 0.00 0.00 61.69 58.59 1ckr s THR 423 Cb -0.14 -3.33 -0.00 0.00 1.34 0.00 0.00 72.50 70.36 1ckr s THR 423 CO 0.03 -0.57 0.23 -1.58 -0.54 0.00 0.00 174.62 172.19 1ckr s GLN 424 N 1.26 3.28 -0.25 3.99 2.00 -1.05 -4.97 119.66 123.91 1ckr s GLN 424 Ca 0.05 -0.79 -0.23 0.00 -2.00 0.00 0.00 55.36 52.39 1ckr s GLN 424 Cb -0.23 -3.79 -0.01 0.00 0.80 0.00 0.00 33.01 29.78 1ckr s GLN 424 CO -0.02 -0.53 0.75 0.99 -0.50 0.00 0.00 175.29 175.98 1ckr s THR 425 N 1.67 4.89 0.18 -0.34 2.01 -1.26 -1.09 115.64 121.70 1ckr s THR 425 Ca 0.05 1.37 0.04 0.00 0.31 0.00 0.00 61.69 63.45 1ckr s THR 425 Cb -0.18 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 1ckr s THR 425 CO 0.09 -0.05 0.29 -0.36 -0.69 0.00 0.00 174.62 173.91 1ckr s PHE 426 N 2.71 3.43 0.00 4.92 0.40 0.77 -4.97 117.98 125.25 1ckr s PHE 426 Ca 0.31 0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.70 1ckr s PHE 426 Cb -0.15 -1.62 0.00 0.00 0.51 0.00 0.00 43.02 41.76 1ckr s PHE 426 CO 0.08 0.50 0.00 -2.37 0.70 0.00 0.00 175.22 174.13 1ckr n THR 427 N -0.80 0.00 -4.65 0.64 5.66 0.14 -0.27 114.28 115.01 1ckr n THR 427 Ca -0.08 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.65 1ckr n THR 427 Cb 0.55 -0.48 -0.14 0.00 -1.55 0.00 0.00 70.33 68.71 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 1.17 1.96 -0.15 1.09 -4.23 -0.81 -4.15 115.64 110.53 1ckr s THR 428 Ca 0.00 -1.42 -0.27 0.00 -1.18 0.00 0.00 61.69 58.82 1ckr s THR 428 Cb 0.00 -1.70 -0.24 0.00 1.34 0.00 0.00 72.50 71.89 1ckr s THR 428 CO 0.00 0.21 0.68 0.22 -0.54 0.00 0.00 174.62 175.19 1ckr h TYR 429 N 4.56 0.00 -4.24 3.99 5.03 -1.93 -2.46 116.97 121.92 1ckr h TYR 429 Ca -0.46 0.00 -0.50 0.00 2.58 0.00 0.00 58.73 60.35 1ckr h TYR 429 Cb 1.16 0.00 0.13 0.00 1.55 0.00 0.00 36.73 39.56 1ckr h TYR 429 CO 0.53 1.03 0.31 -1.12 -1.32 0.00 0.00 178.16 177.59 1ckr s SER 430 N -6.28 4.34 0.00 -2.11 0.01 -1.26 -4.60 113.70 103.80 1ckr s SER 430 Ca -0.20 1.60 0.00 0.00 1.31 0.00 0.00 55.95 58.66 1ckr s SER 430 Cb -0.02 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1ckr s SER 430 CO 0.66 -2.11 0.55 -0.67 0.41 0.00 0.00 173.24 172.08 1ckr n ASP 431 N -3.55 0.00 -4.24 2.44 2.03 -1.26 -4.41 116.55 107.55 1ckr n ASP 431 Ca 0.08 0.55 -0.38 0.00 0.52 0.00 0.00 54.79 55.56 1ckr n ASP 431 Cb 0.54 -0.08 -0.11 0.00 -0.72 0.00 0.00 41.12 40.75 1ckr n ASP 431 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ckr s ASN 432 N -1.97 5.43 -0.16 1.67 2.20 -1.21 -3.38 114.94 117.53 1ckr s ASN 432 Ca 0.00 -1.45 -0.09 0.00 -0.94 0.00 0.00 52.86 50.38 1ckr s ASN 432 Cb 0.00 -1.91 0.04 0.00 -2.00 0.00 0.00 41.25 37.38 1ckr s ASN 432 CO 0.00 -0.45 0.19 1.67 -2.94 0.00 0.00 177.10 175.57 1ckr n GLN 433 N 4.82 -3.65 -0.02 3.55 7.27 -1.26 -4.90 117.38 123.18 1ckr n GLN 433 Ca -0.10 2.85 -0.02 0.00 0.07 0.00 0.00 57.00 59.81 1ckr n GLN 433 Cb 0.43 -4.31 -0.01 0.00 2.41 0.00 0.00 30.24 28.77 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 1.30 0.13 -0.01 3.69 -0.02 -1.26 -4.96 135.00 133.88 1ckr n PRO 434 Ca -0.32 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1ckr n PRO 434 Cb 0.49 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 33.02 1ckr n PRO 434 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ckr n GLY 435 N 1.65 1.23 3.22 -1.23 0.00 -1.26 -4.95 105.19 103.85 1ckr n GLY 435 Ca -0.03 -1.19 -0.25 0.00 0.00 0.00 0.00 46.02 44.55 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 1.54 -0.14 1.61 -7.23 -0.19 -4.95 120.40 111.03 1ckr s VAL 436 Ca 0.00 -1.04 -0.22 0.00 -1.81 0.00 0.00 61.98 58.91 1ckr s VAL 436 Cb 0.00 -1.33 -0.03 0.00 0.56 0.00 0.00 36.38 35.59 1ckr s VAL 436 CO 0.00 0.26 0.67 -0.22 -0.31 0.00 0.00 175.10 175.50 1ckr s LEU 437 N -0.92 4.22 -0.28 1.32 2.96 -1.25 -1.10 118.68 123.63 1ckr s LEU 437 Ca 0.07 1.01 -0.05 0.00 -0.22 0.00 0.00 54.13 54.94 1ckr s LEU 437 Cb -0.08 -2.99 0.02 0.00 0.50 0.00 0.00 46.19 43.63 1ckr s LEU 437 CO 0.01 -0.21 0.03 -0.63 -1.32 0.00 0.00 176.35 174.23 1ckr s ILE 438 N 1.43 3.56 -0.22 6.68 -1.09 0.37 -4.79 121.20 127.13 1ckr s ILE 438 Ca 0.33 -0.86 -0.03 0.00 -2.23 0.00 0.00 60.65 57.86 1ckr s ILE 438 Cb -0.17 -2.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 1ckr s ILE 438 CO 0.13 0.09 -0.06 -1.10 -1.23 0.00 0.00 174.94 172.78 1ckr s GLN 439 N 1.43 3.25 0.04 2.79 -0.21 -1.24 -0.78 119.66 124.94 1ckr s GLN 439 Ca 0.01 -0.70 -0.26 0.00 0.02 0.00 0.00 55.36 54.43 1ckr s GLN 439 Cb -0.17 -2.96 -0.05 0.00 1.00 0.00 0.00 33.01 30.83 1ckr s GLN 439 CO 0.00 -0.23 0.80 0.08 -2.12 0.00 0.00 175.29 173.81 1ckr s VAL 440 N 1.44 4.75 -0.18 1.09 1.01 -1.18 -0.78 120.40 126.55 1ckr s VAL 440 Ca 0.05 1.69 0.01 0.00 0.00 0.00 0.00 61.98 63.73 1ckr s VAL 440 Cb -0.14 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.12 1ckr s VAL 440 CO -0.05 0.33 -0.18 -0.31 0.00 0.00 0.00 175.10 174.90 1ckr s TYR 441 N 0.12 2.67 -0.45 5.22 1.51 -1.06 -0.86 117.35 124.49 1ckr s TYR 441 Ca 0.40 -1.60 -0.21 0.00 -1.01 0.00 0.00 57.07 54.66 1ckr s TYR 441 Cb -0.21 -1.84 0.03 0.00 -0.11 0.00 0.00 41.96 39.83 1ckr s TYR 441 CO 0.24 -0.78 0.66 -2.00 -1.11 0.00 0.00 175.55 172.56 1ckr s GLU 442 N 1.32 3.27 0.00 -0.62 2.12 -0.02 -2.66 118.70 122.11 1ckr s GLU 442 Ca 0.04 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 54.95 1ckr s GLU 442 Cb -0.14 -3.97 0.00 0.00 0.26 0.00 0.00 34.13 30.28 1ckr s GLU 442 CO -0.12 -1.07 0.00 0.41 -0.54 0.00 0.00 175.26 173.95 1ckr n GLY 443 N 5.05 3.04 0.00 -1.50 0.00 -1.22 -0.36 105.19 110.22 1ckr n GLY 443 Ca -0.02 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.07 0.00 0.00 1.61 0.00 -1.26 -4.64 120.64 116.28 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 -2.13 0.00 0.00 0.00 177.13 175.00 1ckr n ARG 445 N 0.00 0.00 -2.77 3.44 0.63 -1.26 -4.54 116.66 112.16 1ckr n ARG 445 Ca 0.00 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.49 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 -1.00 4.04 -3.57 5.13 0.00 -1.26 -4.49 120.51 119.36 1ckr n ALA 446 Ca 0.00 -4.17 -0.10 0.00 0.00 0.00 0.00 53.44 49.17 1ckr n ALA 446 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 19.45 16.28 1ckr n ALA 446 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ckr s MET 447 N 1.99 2.11 -0.53 0.00 0.00 -1.26 -4.73 119.30 116.88 1ckr s MET 447 Ca 0.45 -1.48 0.06 0.00 0.00 0.00 0.00 55.69 54.72 1ckr s MET 447 Cb 0.01 0.58 0.35 0.00 0.00 0.00 0.00 34.83 35.76 1ckr s MET 447 CO 0.02 -0.96 0.93 0.25 0.00 0.00 0.00 175.02 175.25 1ckr n THR 448 N -0.53 2.45 0.00 3.16 -2.24 -1.26 -3.07 114.28 112.80 1ckr n THR 448 Ca -0.06 -5.32 0.00 0.00 -2.27 0.00 0.00 64.05 56.40 1ckr n THR 448 Cb 0.60 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 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 -0.18 0.00 -2.81 -0.78 4.81 -1.26 -5.03 118.16 112.91 1ckr n LYS 449 Ca 0.30 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.64 1ckr n LYS 449 Cb 0.46 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.58 1ckr n LYS 449 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1ckr n ASP 450 N 0.00 -1.93 -4.92 3.14 -0.08 -1.26 -5.14 116.55 106.37 1ckr n ASP 450 Ca 0.00 -3.50 -0.20 0.00 -1.51 0.00 0.00 54.79 49.57 1ckr n ASP 450 Cb 0.00 1.48 0.06 0.00 2.34 0.00 0.00 41.12 44.99 1ckr n ASP 450 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1ckr s ASN 451 N -1.50 5.07 -0.52 1.67 6.03 -1.26 -4.94 114.94 119.49 1ckr s ASN 451 Ca 0.27 -0.41 -0.18 0.00 -1.03 0.00 0.00 52.86 51.51 1ckr s ASN 451 Cb 0.28 -0.30 0.07 0.00 -3.03 0.00 0.00 41.25 38.28 1ckr s ASN 451 CO -0.09 -1.30 0.59 0.20 -2.03 0.00 0.00 177.10 174.47 1ckr s ASN 452 N -4.55 6.20 -0.09 3.54 -0.87 0.52 -4.88 114.94 114.80 1ckr s ASN 452 Ca 0.60 -1.15 -0.29 0.00 -1.57 0.00 0.00 52.86 50.45 1ckr s ASN 452 Cb -0.08 -2.27 -0.05 0.00 -0.02 0.00 0.00 41.25 38.83 1ckr s ASN 452 CO 0.39 -0.89 1.71 -0.22 -2.57 0.00 0.00 177.10 175.51 1ckr s LEU 453 N 2.40 4.20 -0.26 0.60 2.96 -1.26 -0.84 118.68 126.48 1ckr s LEU 453 Ca 0.12 2.13 0.02 0.00 -0.22 0.00 0.00 54.13 56.18 1ckr s LEU 453 Cb -0.22 -3.53 0.06 0.00 0.50 0.00 0.00 46.19 43.00 1ckr s LEU 453 CO 0.09 -1.06 -0.09 -0.76 -1.32 0.00 0.00 176.35 173.21 1ckr s LEU 454 N 4.55 3.23 0.00 -0.68 1.02 -0.04 -4.95 118.68 121.81 1ckr s LEU 454 Ca 0.76 -1.36 0.00 0.00 0.02 0.00 0.00 54.13 53.55 1ckr s LEU 454 Cb -0.32 -1.44 0.00 0.00 0.02 0.00 0.00 46.19 44.45 1ckr s LEU 454 CO 0.31 -0.21 0.00 0.61 0.02 0.00 0.00 176.35 177.08 1ckr n GLY 455 N 4.50 0.37 0.00 -3.19 0.00 -1.26 -3.09 105.19 102.52 1ckr n GLY 455 Ca -0.13 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 7.17 0.00 -3.79 1.61 2.85 -1.26 -4.62 118.16 120.12 1ckr n LYS 456 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 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 -1.03 -0.08 -0.21 5.58 -0.71 0.04 -5.01 117.98 116.57 1ckr s PHE 457 Ca 0.00 0.01 -0.08 0.00 -1.04 0.00 0.00 56.93 55.82 1ckr s PHE 457 Cb 0.00 0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.82 1ckr s PHE 457 CO 0.00 -0.41 0.09 -2.00 -1.34 0.00 0.00 175.22 171.55 1ckr s GLU 458 N -1.93 3.93 -0.20 1.99 2.12 -1.26 -0.48 118.70 122.86 1ckr s GLU 458 Ca -0.10 -0.36 -0.06 0.00 0.36 0.00 0.00 54.97 54.81 1ckr s GLU 458 Cb -0.03 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 1ckr s GLU 458 CO 0.00 0.13 0.04 -1.17 -0.54 0.00 0.00 175.26 173.72 1ckr s LEU 459 N 0.79 3.49 -0.00 2.70 2.96 -0.26 -4.99 118.68 123.36 1ckr s LEU 459 Ca 0.04 -0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1ckr s LEU 459 Cb -0.13 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 1ckr s LEU 459 CO 0.02 0.09 0.04 0.42 -1.32 0.00 0.00 176.35 175.60 1ckr s THR 460 N 0.89 0.06 0.00 3.68 -4.23 -1.26 -1.03 115.64 113.75 1ckr s THR 460 Ca 0.02 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 1ckr s THR 460 Cb -0.14 -0.24 0.00 0.00 1.34 0.00 0.00 72.50 73.46 1ckr s THR 460 CO 0.02 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 1ckr n GLY 461 N 2.11 0.24 3.88 3.99 0.00 -1.26 -5.07 105.19 109.08 1ckr n GLY 461 Ca -0.19 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 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 5.09 -0.25 -0.61 -1.09 -1.26 -4.87 121.20 118.21 1ckr s ILE 462 Ca 0.00 0.31 -0.29 0.00 -2.23 0.00 0.00 60.65 58.44 1ckr s ILE 462 Cb 0.00 -3.63 -0.02 0.00 -1.58 0.00 0.00 42.46 37.22 1ckr s ILE 462 CO 0.00 0.13 1.61 -2.16 -1.23 0.00 0.00 174.94 173.29 1ckr s PRO 463 N -2.35 3.73 -1.39 2.79 0.04 -1.26 -4.69 135.00 131.86 1ckr s PRO 463 Ca 0.39 1.56 -0.15 0.00 0.04 0.00 0.00 61.00 62.84 1ckr s PRO 463 Cb -0.13 -4.05 0.03 0.00 0.04 0.00 0.00 34.50 30.39 1ckr s PRO 463 CO 0.21 -1.38 2.13 -0.35 0.04 0.00 0.00 177.00 177.65 1ckr n PRO 464 N 7.77 2.80 -1.82 0.56 -0.04 -1.26 -4.41 135.00 138.61 1ckr n PRO 464 Ca 0.19 -2.65 -0.22 0.00 -0.04 0.00 0.00 63.50 60.78 1ckr n PRO 464 Cb 0.46 -3.30 0.14 0.00 -0.04 0.00 0.00 33.50 30.75 1ckr n PRO 464 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ckr n ALA 465 N 6.65 -0.64 -1.93 0.55 0.00 -1.26 -4.78 120.51 119.10 1ckr n ALA 465 Ca 0.51 -1.48 -0.30 0.00 0.00 0.00 0.00 53.44 52.18 1ckr n ALA 465 Cb 0.40 0.07 0.04 0.00 0.00 0.00 0.00 19.45 19.96 1ckr n ALA 465 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1ckr s PRO 466 N -5.02 2.95 -0.35 0.00 0.02 -1.26 -3.33 135.00 128.00 1ckr s PRO 466 Ca 0.58 0.40 -0.33 0.00 0.02 0.00 0.00 61.00 61.67 1ckr s PRO 466 Cb -0.02 -2.08 -0.14 0.00 0.02 0.00 0.00 34.50 32.28 1ckr s PRO 466 CO 0.40 -0.92 1.14 -2.13 -0.33 0.00 0.00 177.00 175.15 1ckr n ARG 467 N -2.90 0.00 -0.24 5.54 3.00 -1.22 -0.95 116.66 119.90 1ckr n ARG 467 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 1ckr n ARG 467 Cb 0.57 -1.06 0.00 0.00 0.00 0.00 0.00 32.46 31.97 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 2.87 2.32 0.13 5.14 0.00 -0.93 -4.94 105.19 109.78 1ckr n GLY 468 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 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 1.57 -1.68 1.61 0.31 -0.12 -4.58 118.33 113.44 1ckr n VAL 469 Ca 0.00 -0.47 -0.41 0.00 -0.01 0.00 0.00 64.34 63.45 1ckr n VAL 469 Cb 0.00 -1.69 0.01 0.00 -0.91 0.00 0.00 33.84 31.25 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 -3.72 1.77 -3.60 5.55 -0.02 -1.26 -4.88 135.00 128.84 1ckr n PRO 470 Ca -0.43 0.63 -0.11 0.00 -2.02 0.00 0.00 63.50 61.57 1ckr n PRO 470 Cb 0.94 -2.31 -0.05 0.00 -0.02 0.00 0.00 33.50 32.06 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 -2.19 1.07 -0.03 -0.52 -2.07 -1.26 -1.92 119.66 112.73 1ckr s GLN 471 Ca 0.62 -0.59 -0.01 0.00 -1.82 0.00 0.00 55.36 53.57 1ckr s GLN 471 Cb -0.52 0.48 0.03 0.00 -1.09 0.00 0.00 33.01 31.91 1ckr s GLN 471 CO 0.57 -0.42 0.06 0.96 -1.32 0.00 0.00 175.29 175.14 1ckr s ILE 472 N -3.49 -0.07 -0.60 3.63 -0.00 0.63 -4.51 121.20 116.79 1ckr s ILE 472 Ca 0.01 0.24 -0.23 0.00 -0.00 0.00 0.00 60.65 60.67 1ckr s ILE 472 Cb 0.01 -0.12 0.05 0.00 -0.00 0.00 0.00 42.46 42.40 1ckr s ILE 472 CO -0.10 0.10 0.94 -0.70 -0.00 0.00 0.00 174.94 175.18 1ckr s GLU 473 N 1.28 3.21 -0.80 0.37 2.12 0.10 -0.16 118.70 124.82 1ckr s GLU 473 Ca -0.07 -0.56 -0.25 0.00 0.36 0.00 0.00 54.97 54.45 1ckr s GLU 473 Cb -0.13 -4.14 0.04 0.00 0.26 0.00 0.00 34.13 30.17 1ckr s GLU 473 CO -0.04 -1.63 1.29 0.08 -0.54 0.00 0.00 175.26 174.42 1ckr s VAL 474 N 3.95 3.85 -0.26 3.70 1.01 -0.25 -0.31 120.40 132.08 1ckr s VAL 474 Ca 0.26 -0.00 -0.13 0.00 0.00 0.00 0.00 61.98 62.11 1ckr s VAL 474 Cb -0.15 -4.93 -0.05 0.00 0.00 0.00 0.00 36.38 31.26 1ckr s VAL 474 CO 0.15 -1.83 0.26 -0.89 0.00 0.00 0.00 175.10 172.78 1ckr s THR 475 N 5.31 5.27 -0.47 3.92 2.01 0.50 -2.53 115.64 129.65 1ckr s THR 475 Ca 0.36 0.34 -0.08 0.00 0.31 0.00 0.00 61.69 62.62 1ckr s THR 475 Cb -0.07 -3.59 0.12 0.00 0.01 0.00 0.00 72.50 68.97 1ckr s THR 475 CO 0.08 0.23 0.33 -0.36 -0.69 0.00 0.00 174.62 174.22 1ckr s PHE 476 N 1.72 3.46 -0.69 4.92 0.40 0.09 0.05 117.98 127.93 1ckr s PHE 476 Ca 0.10 -1.98 -0.13 0.00 -0.60 0.00 0.00 56.93 54.33 1ckr s PHE 476 Cb -0.15 -3.46 0.18 0.00 0.51 0.00 0.00 43.02 40.09 1ckr s PHE 476 CO 0.09 -0.99 0.62 0.34 0.70 0.00 0.00 175.22 175.98 1ckr s ASP 477 N 2.50 6.35 0.07 1.36 2.15 -0.56 -1.51 116.67 127.03 1ckr s ASP 477 Ca 0.07 -2.38 -0.23 0.00 0.43 0.00 0.00 52.55 50.43 1ckr s ASP 477 Cb -0.25 -2.16 -0.06 0.00 -0.30 0.00 0.00 42.92 40.15 1ckr s ASP 477 CO -0.01 -0.65 0.71 -0.63 -0.17 0.00 0.00 175.17 174.42 1ckr s ILE 478 N 0.66 4.68 0.31 4.11 1.01 0.02 -1.04 121.20 130.95 1ckr s ILE 478 Ca 0.12 1.52 -0.07 0.00 0.00 0.00 0.00 60.65 62.22 1ckr s ILE 478 Cb -0.18 -4.06 -0.06 0.00 0.01 0.00 0.00 42.46 38.17 1ckr s ILE 478 CO -0.04 0.44 0.60 -1.81 0.00 0.00 0.00 174.94 174.13 1ckr s ASP 479 N -0.47 6.50 0.59 3.58 1.01 0.78 -2.57 116.67 126.08 1ckr s ASP 479 Ca 0.35 0.85 0.29 0.00 0.71 0.00 0.00 52.55 54.75 1ckr s ASP 479 Cb -0.21 -2.20 1.47 0.00 1.01 0.00 0.00 42.92 42.99 1ckr s ASP 479 CO 0.22 -0.22 1.89 0.00 0.21 0.00 0.00 175.17 177.26 1ckr h ALA 480 N 1.73 2.21 -0.51 5.23 0.00 -1.87 -1.91 119.26 124.14 1ckr h ALA 480 Ca -0.47 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.12 1ckr h ALA 480 Cb 1.19 0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.86 1ckr h ALA 480 CO 0.66 -0.75 0.38 0.09 0.00 0.00 0.00 179.25 179.64 1ckr n ASN 481 N -3.72 4.77 -3.83 0.00 4.13 -1.26 -4.84 115.26 110.50 1ckr n ASN 481 Ca 0.09 -2.94 -0.25 0.00 1.68 0.00 0.00 54.58 53.16 1ckr n ASN 481 Cb 0.69 -0.84 0.02 0.00 -1.54 0.00 0.00 39.78 38.11 1ckr n ASN 481 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ckr n GLY 482 N -0.07 -0.32 3.29 7.41 0.00 -0.74 -4.80 105.19 109.97 1ckr n GLY 482 Ca 0.31 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.65 3.51 -0.45 -0.61 1.01 -1.10 -4.32 121.20 115.60 1ckr s ILE 483 Ca 0.18 -0.75 -0.24 0.00 0.00 0.00 0.00 60.65 59.85 1ckr s ILE 483 Cb -0.09 -2.76 0.02 0.00 0.01 0.00 0.00 42.46 39.65 1ckr s ILE 483 CO 0.84 0.19 0.82 -0.22 0.00 0.00 0.00 174.94 176.57 1ckr s LEU 484 N 1.44 4.18 -1.00 2.97 0.20 -0.88 -0.15 118.68 125.44 1ckr s LEU 484 Ca 0.02 -0.02 -0.18 0.00 0.69 0.00 0.00 54.13 54.65 1ckr s LEU 484 Cb -0.16 -3.03 0.13 0.00 -0.43 0.00 0.00 46.19 42.70 1ckr s LEU 484 CO -0.01 -0.94 1.22 0.20 -0.29 0.00 0.00 176.35 176.54 1ckr s ASN 485 N 2.15 6.71 -0.40 3.68 0.01 -0.20 -0.67 114.94 126.22 1ckr s ASN 485 Ca 0.32 -2.20 -0.22 0.00 -0.71 0.00 0.00 52.86 50.05 1ckr s ASN 485 Cb -0.12 -2.42 0.02 0.00 0.41 0.00 0.00 41.25 39.14 1ckr s ASN 485 CO 0.23 -1.04 0.72 -0.69 -1.51 0.00 0.00 177.10 174.82 1ckr s VAL 486 N 2.67 4.76 0.27 1.60 1.01 0.24 -1.49 120.40 129.45 1ckr s VAL 486 Ca 0.36 0.53 0.08 0.00 0.00 0.00 0.00 61.98 62.95 1ckr s VAL 486 Cb -0.04 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1ckr s VAL 486 CO -0.07 -0.52 0.14 -0.55 0.00 0.00 0.00 175.10 174.10 1ckr s SER 487 N 1.95 5.16 -0.06 3.32 0.15 0.11 -1.36 113.70 122.97 1ckr s SER 487 Ca 0.28 -0.42 -0.01 0.00 0.70 0.00 0.00 55.95 56.49 1ckr s SER 487 Cb -0.13 -1.16 0.03 0.00 -1.71 0.00 0.00 66.02 63.04 1ckr s SER 487 CO 0.19 -0.07 0.01 0.00 1.20 0.00 0.00 173.24 174.57 1ckr s ALA 488 N -2.22 0.61 -0.16 5.45 0.00 -0.59 -0.37 121.76 124.49 1ckr s ALA 488 Ca 0.33 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1ckr s ALA 488 Cb -0.07 -0.71 -0.00 0.00 0.00 0.00 0.00 23.12 22.34 1ckr s ALA 488 CO 0.23 -0.44 -0.16 0.08 0.00 0.00 0.00 175.76 175.48 1ckr s VAL 489 N 1.96 2.63 -1.16 0.00 1.01 0.57 -2.56 120.40 122.86 1ckr s VAL 489 Ca 0.04 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 1ckr s VAL 489 Cb -0.12 -2.11 0.12 0.00 0.00 0.00 0.00 36.38 34.27 1ckr s VAL 489 CO -0.05 0.52 1.46 -1.81 0.00 0.00 0.00 175.10 175.22 1ckr s ASP 490 N 0.83 6.87 0.20 3.32 1.01 0.64 0.01 116.67 129.55 1ckr s ASP 490 Ca -0.05 -2.52 -0.03 0.00 0.71 0.00 0.00 52.55 50.66 1ckr s ASP 490 Cb -0.15 -2.46 0.13 0.00 1.01 0.00 0.00 42.92 41.44 1ckr s ASP 490 CO -0.00 -0.99 1.52 0.07 0.21 0.00 0.00 175.17 175.98 1ckr h LYS 491 N 7.85 0.57 -0.17 8.23 5.09 -1.80 -0.49 116.57 135.85 1ckr h LYS 491 Ca 0.31 -0.34 -0.01 0.00 0.09 0.00 0.00 60.65 60.70 1ckr h LYS 491 Cb 0.91 0.03 -0.01 0.00 0.10 0.00 0.00 32.23 33.27 1ckr h LYS 491 CO 1.29 0.95 0.07 0.77 -2.09 0.00 0.00 179.45 180.44 1ckr h SER 492 N 0.45 0.20 0.94 7.07 0.02 -1.89 -2.47 113.55 117.87 1ckr h SER 492 Ca 0.02 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1ckr h SER 492 Cb 1.04 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1ckr h SER 492 CO 0.10 0.19 -0.11 0.41 -1.14 0.00 0.00 176.83 176.28 1ckr n THR 493 N -4.46 0.05 -3.64 -2.27 -1.04 -0.98 -5.02 114.28 96.92 1ckr n THR 493 Ca -0.00 -0.02 -0.27 0.00 -2.04 0.00 0.00 64.05 61.71 1ckr n THR 493 Cb 0.12 -0.36 0.03 0.00 -1.82 0.00 0.00 70.33 68.30 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 -1.07 2.92 3.41 0.00 -0.23 -5.03 105.19 106.67 1ckr n GLY 494 Ca 0.07 0.48 -0.15 0.00 0.00 0.00 0.00 46.02 46.42 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 -5.51 0.16 0.11 1.61 2.47 -0.98 -5.02 119.74 112.58 1ckr s LYS 495 Ca 0.34 0.57 0.04 0.00 -1.56 0.00 0.00 55.97 55.37 1ckr s LYS 495 Cb -0.13 -0.40 -0.04 0.00 -1.46 0.00 0.00 37.83 35.80 1ckr s LYS 495 CO 0.86 -0.41 -0.11 -1.83 0.16 0.00 0.00 175.35 174.02 1ckr s GLU 496 N 2.39 0.90 0.02 4.03 -1.05 -1.26 -0.26 118.70 123.47 1ckr s GLU 496 Ca 0.04 -1.19 0.03 0.00 -0.15 0.00 0.00 54.97 53.69 1ckr s GLU 496 Cb -0.13 -0.64 -0.01 0.00 -0.44 0.00 0.00 34.13 32.91 1ckr s GLU 496 CO -0.10 0.11 -0.08 1.21 0.95 0.00 0.00 175.26 177.35 1ckr s ASN 497 N -2.47 0.95 -0.00 0.83 2.47 -1.06 -4.99 114.94 110.66 1ckr s ASN 497 Ca 0.07 -0.29 -0.08 0.00 0.42 0.00 0.00 52.86 52.97 1ckr s ASN 497 Cb -0.03 -0.06 0.01 0.00 -1.45 0.00 0.00 41.25 39.72 1ckr s ASN 497 CO 0.01 -0.00 0.17 -1.59 -3.72 0.00 0.00 177.10 171.96 1ckr s LYS 498 N -0.71 0.50 -0.06 0.43 -2.85 -1.26 -1.55 119.74 114.25 1ckr s LYS 498 Ca -0.01 -0.33 0.06 0.00 -1.00 0.00 0.00 55.97 54.69 1ckr s LYS 498 Cb -0.05 0.21 -0.01 0.00 -2.06 0.00 0.00 37.83 35.92 1ckr s LYS 498 CO 0.00 -0.12 -0.25 -1.50 0.10 0.00 0.00 175.35 173.58 1ckr s ILE 499 N -1.30 2.08 -0.47 3.79 2.07 -0.46 -4.96 121.20 121.94 1ckr s ILE 499 Ca -0.14 -1.06 -0.13 0.00 -1.41 0.00 0.00 60.65 57.90 1ckr s ILE 499 Cb -0.07 -1.75 0.09 0.00 0.13 0.00 0.00 42.46 40.86 1ckr s ILE 499 CO 0.02 0.57 0.37 -0.89 -1.91 0.00 0.00 174.94 173.10 1ckr s THR 500 N -0.20 4.90 -0.38 4.00 2.01 -1.26 -0.59 115.64 124.12 1ckr s THR 500 Ca -0.03 -1.27 -0.22 0.00 0.31 0.00 0.00 61.69 60.48 1ckr s THR 500 Cb -0.13 -4.00 0.01 0.00 0.01 0.00 0.00 72.50 68.39 1ckr s THR 500 CO 0.03 -0.62 0.73 -0.63 -0.69 0.00 0.00 174.62 173.44 1ckr s ILE 501 N 1.56 4.77 -0.32 1.82 1.01 0.16 -4.93 121.20 125.27 1ckr s ILE 501 Ca 0.04 0.65 -0.24 0.00 0.00 0.00 0.00 60.65 61.10 1ckr s ILE 501 Cb -0.25 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.03 1ckr s ILE 501 CO 0.04 -0.46 0.81 0.42 0.00 0.00 0.00 174.94 175.75 1ckr s THR 502 N 2.99 4.76 -1.38 2.92 -4.23 -1.26 -2.07 115.64 117.37 1ckr s THR 502 Ca 0.28 1.18 -0.11 0.00 -1.18 0.00 0.00 61.69 61.85 1ckr s THR 502 Cb -0.13 -4.18 0.10 0.00 1.34 0.00 0.00 72.50 69.62 1ckr s THR 502 CO 0.17 -0.30 2.10 -3.20 -0.54 0.00 0.00 174.62 172.85 1ckr n ASN 503 N 6.30 4.74 0.00 3.99 2.85 -1.26 -4.49 115.26 127.40 1ckr n ASN 503 Ca 0.04 -2.97 0.00 0.00 -0.11 0.00 0.00 54.58 51.54 1ckr n ASN 503 Cb 0.48 -1.56 0.00 0.00 1.24 0.00 0.00 39.78 39.94 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 4.81 4.16 -4.37 1.20 8.00 -1.26 -4.82 116.55 124.27 1ckr n ASP 504 Ca 0.47 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.52 1ckr n ASP 504 Cb 0.37 0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.84 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 -1.84 3.29 0.00 -1.24 1.02 -1.26 -4.56 119.74 115.15 1ckr s LYS 505 Ca 0.00 -1.72 0.00 0.00 0.02 0.00 0.00 55.97 54.27 1ckr s LYS 505 Cb 0.00 -4.44 0.00 0.00 -0.52 0.00 0.00 37.83 32.87 1ckr s LYS 505 CO 0.00 -1.51 0.00 0.41 -0.92 0.00 0.00 175.35 173.33 1ckr n GLY 506 N 4.99 -0.12 3.65 -3.33 0.00 -1.26 -5.06 105.19 104.07 1ckr n GLY 506 Ca 0.03 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 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 -6.12 -0.30 1.61 3.00 -1.26 -4.96 116.66 108.63 1ckr n ARG 506 Ca 0.00 0.72 -0.02 0.00 -0.01 0.00 0.00 57.85 58.54 1ckr n ARG 506 Cb 0.00 -5.57 0.04 0.00 0.00 0.00 0.00 32.46 26.93 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 -2.09 -1.23 0.00 0.55 -0.00 -1.98 -3.47 115.31 107.09 1ckr h LEU 507 Ca -0.59 0.27 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 1ckr h LEU 507 Cb 1.36 0.65 0.00 0.00 -0.00 0.00 0.00 40.66 42.67 1ckr h LEU 507 CO 0.57 -0.29 0.00 -0.24 -0.00 0.00 0.00 178.44 178.47 1ckr n SER 508 N -5.47 0.00 -0.28 0.17 2.88 -1.26 -2.70 113.62 106.95 1ckr n SER 508 Ca 0.08 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.71 1ckr n SER 508 Cb 0.39 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.09 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 0.44 0.21 -1.46 -0.00 -1.99 -2.72 116.57 111.05 1ckr h LYS 509 Ca 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.65 60.61 1ckr h LYS 509 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 32.23 32.13 1ckr h LYS 509 CO 0.00 0.29 -0.10 1.05 -0.00 0.00 0.00 179.45 180.69 1ckr h GLU 510 N 0.45 -0.28 -0.38 0.07 4.11 -1.92 -2.79 114.58 113.83 1ckr h GLU 510 Ca 0.48 0.02 -0.14 0.00 0.07 0.00 0.00 59.36 59.79 1ckr h GLU 510 Cb 0.80 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1ckr h GLU 510 CO -0.45 0.03 -0.29 -0.44 0.07 0.00 0.00 179.01 177.93 1ckr h ASP 511 N -0.98 0.92 0.56 3.06 3.32 -1.62 -2.84 116.42 118.84 1ckr h ASP 511 Ca -0.03 -0.44 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 1ckr h ASP 511 Cb 0.44 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.73 1ckr h ASP 511 CO 0.05 1.17 -0.27 0.40 -1.72 0.00 0.00 179.24 178.87 1ckr h ILE 512 N 0.68 0.39 -0.65 0.35 5.03 -1.66 -2.32 117.51 119.34 1ckr h ILE 512 Ca 0.07 -0.24 -0.01 0.00 -0.12 0.00 0.00 64.86 64.57 1ckr h ILE 512 Cb 0.87 0.48 -0.03 0.00 -3.03 0.00 0.00 36.82 35.11 1ckr h ILE 512 CO 0.08 0.03 0.38 -0.08 -0.68 0.00 0.00 178.15 177.88 1ckr h GLU 513 N -0.91 0.88 -0.06 2.37 4.57 -1.60 -0.63 114.58 119.20 1ckr h GLU 513 Ca -0.08 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.02 1ckr h GLU 513 Cb 0.63 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1ckr h GLU 513 CO 0.13 0.62 -0.01 0.07 -1.18 0.00 0.00 179.01 178.64 1ckr h ARG 514 N 0.89 0.11 0.00 1.92 0.11 -1.59 -3.36 114.38 112.47 1ckr h ARG 514 Ca 0.23 -0.04 -0.05 0.00 0.10 0.00 0.00 59.98 60.22 1ckr h ARG 514 Cb -0.02 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.04 1ckr h ARG 514 CO -0.04 0.41 -0.40 0.52 0.10 0.00 0.00 179.97 180.56 1ckr h MET 515 N -0.21 0.00 -1.16 0.08 2.86 -1.28 -3.39 114.93 111.83 1ckr h MET 515 Ca 0.02 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 1ckr h MET 515 Cb 0.37 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 1ckr h MET 515 CO 0.00 0.51 0.13 1.55 1.06 0.00 0.00 176.91 180.16 1ckr n VAL 516 N -4.62 1.57 -2.62 -2.22 3.14 -0.25 -0.70 118.33 112.63 1ckr n VAL 516 Ca -0.12 -0.46 -0.12 0.00 -2.96 0.00 0.00 64.34 60.68 1ckr n VAL 516 Cb 0.35 -1.01 0.03 0.00 -1.06 0.00 0.00 33.84 32.15 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 0.37 1.80 0.08 1.45 6.02 -1.26 -4.68 117.38 121.17 1ckr n GLN 517 Ca 0.11 -3.58 0.00 0.00 -0.01 0.00 0.00 57.00 53.51 1ckr n GLN 517 Cb 0.68 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 30.39 1ckr n GLN 517 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1ckr n GLU 518 N -0.26 0.00 0.00 -1.09 0.28 -1.15 -5.06 120.64 113.35 1ckr n GLU 518 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 1ckr n GLU 518 Cb 0.79 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.66 1ckr n GLU 518 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ckr n ALA 519 N -2.77 0.00 -0.33 -1.84 0.00 0.12 -1.66 120.51 114.03 1ckr n ALA 519 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 1ckr n ALA 519 Cb 0.00 0.00 0.40 0.00 0.00 0.00 0.00 19.45 19.85 1ckr n ALA 519 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1ckr h GLU 520 N 0.00 0.58 0.00 0.00 -0.00 -1.84 -2.21 114.58 111.10 1ckr h GLU 520 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.33 1ckr h GLU 520 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 28.75 28.62 1ckr h GLU 520 CO 0.00 0.38 0.00 1.63 -0.00 0.00 0.00 179.01 181.02 1ckr n LYS 521 N -4.75 0.00 0.25 1.06 5.02 -1.25 -2.67 118.16 115.82 1ckr n LYS 521 Ca 0.25 0.22 0.11 0.00 -2.02 0.00 0.00 58.31 56.86 1ckr n LYS 521 Cb 0.71 -1.17 0.56 0.00 -0.02 0.00 0.00 35.03 35.11 1ckr n LYS 521 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1ckr h TYR 522 N 0.00 0.00 0.00 2.13 5.03 -1.15 -2.48 116.97 120.50 1ckr h TYR 522 Ca 0.00 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.27 1ckr h TYR 522 Cb 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.27 1ckr h TYR 522 CO 0.04 0.00 -0.92 1.17 -1.32 0.00 0.00 178.16 177.13 1ckr n LYS 523 N -2.46 0.50 0.11 1.82 4.81 -0.85 -0.41 118.16 121.68 1ckr n LYS 523 Ca -0.01 0.36 0.08 0.00 -0.87 0.00 0.00 58.31 57.87 1ckr n LYS 523 Cb 0.36 -1.56 0.40 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 1.17 0.00 0.00 177.40 178.57 1ckr n ALA 524 N -4.06 1.14 0.05 3.14 0.00 -1.09 -0.34 120.51 119.34 1ckr n ALA 524 Ca -0.15 0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.37 1ckr n ALA 524 Cb 0.45 -1.23 -0.09 0.00 0.00 0.00 0.00 19.45 18.58 1ckr n ALA 524 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ckr h GLU 525 N 0.00 0.00 0.00 0.00 4.57 -1.58 -2.88 114.58 114.69 1ckr h GLU 525 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ckr h GLU 525 Cb 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1ckr h GLU 525 CO 0.00 0.60 0.07 -3.47 -1.18 0.00 0.00 179.01 175.02 1ckr n ASP 526 N -3.13 0.35 -0.90 1.04 -0.08 0.53 -4.87 116.55 109.50 1ckr n ASP 526 Ca -0.06 0.63 0.00 0.00 -1.51 0.00 0.00 54.79 53.85 1ckr n ASP 526 Cb 0.91 -0.66 0.00 0.00 2.34 0.00 0.00 41.12 43.71 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 -1.98 0.00 -3.33 -0.67 1.02 -0.99 -4.07 120.64 110.61 1ckr n GLU 527 Ca -0.01 0.03 -0.16 0.00 -0.02 0.00 0.00 57.16 57.00 1ckr n GLU 527 Cb 0.09 -0.90 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 -0.88 -1.72 0.00 3.49 4.01 -1.15 -4.86 118.16 117.06 1ckr n LYS 528 Ca 0.00 0.93 0.00 0.00 -0.51 0.00 0.00 58.31 58.73 1ckr n LYS 528 Cb 0.30 -5.21 0.00 0.00 -0.51 0.00 0.00 35.03 29.61 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 -3.05 0.00 -0.56 1.97 0.00 -1.12 -0.90 117.38 113.72 1ckr n GLN 529 Ca -0.07 0.00 0.07 0.00 0.00 0.00 0.00 57.00 57.00 1ckr n GLN 529 Cb 0.59 0.00 0.31 0.00 0.00 0.00 0.00 30.24 31.13 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 -0.08 3.47 0.16 2.61 5.12 -1.26 -4.45 116.66 122.23 1ckr n ARG 530 Ca 0.00 -2.43 -0.13 0.00 -1.93 0.00 0.00 57.85 53.36 1ckr n ARG 530 Cb 0.00 -1.86 -0.08 0.00 -1.16 0.00 0.00 32.46 29.36 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 3.41 -0.35 -3.65 0.55 3.58 -1.28 -3.38 116.42 115.31 1ckr h ASP 531 Ca 0.00 -0.17 -0.57 0.00 0.42 0.00 0.00 57.03 56.71 1ckr h ASP 531 Cb 1.34 0.09 -0.08 0.00 1.72 0.00 0.00 39.33 42.40 1ckr h ASP 531 CO 0.24 0.00 0.83 -1.59 -2.88 0.00 0.00 179.24 175.84 1ckr s LYS 532 N -4.75 3.64 0.00 0.28 0.00 -1.22 -3.91 119.74 113.78 1ckr s LYS 532 Ca -0.14 0.41 0.00 0.00 0.00 0.00 0.00 55.97 56.23 1ckr s LYS 532 Cb 0.02 -3.93 0.00 0.00 0.00 0.00 0.00 37.83 33.93 1ckr s LYS 532 CO 0.55 -1.38 0.00 1.55 0.00 0.00 0.00 175.35 176.08 1ckr n VAL 533 N 6.71 0.00 0.09 1.79 3.14 0.03 -5.00 118.33 125.09 1ckr n VAL 533 Ca 0.10 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.34 1ckr n VAL 533 Cb 0.49 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.19 1ckr n VAL 533 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1ckr h SER 534 N 0.00 -1.29 -2.05 6.55 0.02 -1.91 -3.38 113.55 111.49 1ckr h SER 534 Ca 0.00 0.15 -0.36 0.00 -0.84 0.00 0.00 61.79 60.74 1ckr h SER 534 Cb 0.00 0.49 -0.32 0.00 0.14 0.00 0.00 62.40 62.71 1ckr h SER 534 CO 0.00 -0.49 -0.67 -0.55 -1.14 0.00 0.00 176.83 173.98 1ckr s SER 535 N -4.74 1.44 1.79 3.07 0.15 -1.26 -5.06 113.70 109.09 1ckr s SER 535 Ca -0.16 -1.29 0.00 0.00 0.70 0.00 0.00 55.95 55.20 1ckr s SER 535 Cb 0.08 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 1ckr s SER 535 CO 0.63 -0.31 0.00 1.17 1.20 0.00 0.00 173.24 175.93 1ckr n LYS 536 N 4.64 0.00 -3.25 5.44 0.00 -1.26 -3.57 118.16 120.16 1ckr n LYS 536 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 58.31 58.00 1ckr n LYS 536 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.45 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 8.02 5.22 -4.29 3.14 4.13 -1.25 -0.79 115.26 129.43 1ckr n ASN 537 Ca 0.00 -3.36 -0.25 0.00 1.68 0.00 0.00 54.58 52.66 1ckr n ASN 537 Cb 0.00 -1.06 -0.13 0.00 -1.54 0.00 0.00 39.78 37.05 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 -1.56 2.61 -0.44 6.41 1.04 -1.23 0.27 113.70 120.80 1ckr s SER 538 Ca 0.33 -0.67 0.07 0.00 0.48 0.00 0.00 55.95 56.16 1ckr s SER 538 Cb 0.05 -0.15 0.24 0.00 0.10 0.00 0.00 66.02 66.25 1ckr s SER 538 CO 0.02 0.08 0.53 0.00 0.98 0.00 0.00 173.24 174.86 1ckr n LEU 539 N 1.16 0.75 0.00 2.42 -0.00 -1.26 -4.28 117.00 115.79 1ckr n LEU 539 Ca -0.19 -4.79 0.00 0.00 -0.00 0.00 0.00 56.01 51.03 1ckr n LEU 539 Cb 0.53 0.37 0.00 0.00 -0.00 0.00 0.00 43.42 44.33 1ckr n LEU 539 CO 0.22 2.03 0.00 -1.84 -0.00 0.00 0.00 177.39 177.81