#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 -5.72 -2.74 4.33 -0.58 -1.26 -4.93 120.64 109.74 1ckr n GLU 384 Ca 0.00 0.78 -0.43 0.00 -0.42 0.00 0.00 57.16 57.08 1ckr n GLU 384 Cb 0.00 -5.64 0.00 0.00 -0.57 0.00 0.00 31.44 25.23 1ckr n GLU 384 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1ckr n ASN 385 N -3.11 5.10 -4.55 1.62 4.13 -1.26 -4.93 115.26 112.27 1ckr n ASN 385 Ca -0.27 -2.98 -0.43 0.00 1.68 0.00 0.00 54.58 52.57 1ckr n ASN 385 Cb 0.67 -1.59 -0.00 0.00 -1.54 0.00 0.00 39.78 37.31 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 1.91 4.33 -0.08 2.41 -7.23 -1.26 -4.93 120.40 115.54 1ckr s VAL 386 Ca 0.44 -1.93 -0.14 0.00 -1.81 0.00 0.00 61.98 58.55 1ckr s VAL 386 Cb 0.01 -5.10 0.03 0.00 0.56 0.00 0.00 36.38 31.88 1ckr s VAL 386 CO 0.01 -1.90 0.34 0.00 -0.31 0.00 0.00 175.10 173.24 1ckr s GLN 387 N 3.64 0.54 -1.30 4.82 -2.07 -1.26 -5.10 119.66 118.93 1ckr s GLN 387 Ca 0.49 0.19 -0.18 0.00 -1.82 0.00 0.00 55.36 54.04 1ckr s GLN 387 Cb 0.02 0.25 0.07 0.00 -1.09 0.00 0.00 33.01 32.25 1ckr s GLN 387 CO 0.03 -0.11 1.75 -0.25 -1.32 0.00 0.00 175.29 175.39 1ckr n ASP 388 N 2.13 4.89 -4.49 12.60 8.00 -1.26 -4.93 116.55 133.48 1ckr n ASP 388 Ca -0.17 -2.91 -0.43 0.00 0.71 0.00 0.00 54.79 51.98 1ckr n ASP 388 Cb 0.57 -1.75 -0.01 0.00 -0.02 0.00 0.00 41.12 39.91 1ckr n ASP 388 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ckr s LEU 389 N 4.29 4.64 -1.21 0.64 0.20 -1.26 -4.95 118.68 121.02 1ckr s LEU 389 Ca 0.54 -2.39 -0.15 0.00 0.69 0.00 0.00 54.13 52.83 1ckr s LEU 389 Cb 0.04 -2.45 0.15 0.00 -0.43 0.00 0.00 46.19 43.50 1ckr s LEU 389 CO 0.08 -1.02 1.48 -0.76 -0.29 0.00 0.00 176.35 175.83 1ckr s LEU 390 N 2.84 4.78 -1.06 -0.68 1.43 -1.26 -4.95 118.68 119.79 1ckr s LEU 390 Ca 0.42 -2.82 -0.20 0.00 -1.03 0.00 0.00 54.13 50.50 1ckr s LEU 390 Cb -0.02 -2.44 0.08 0.00 0.03 0.00 0.00 46.19 43.85 1ckr s LEU 390 CO -0.03 -0.86 1.41 -0.22 0.23 0.00 0.00 176.35 176.88 1ckr s LEU 391 N 2.21 4.10 -0.00 1.79 2.96 -1.26 -4.97 118.68 123.51 1ckr s LEU 391 Ca 0.45 -1.90 0.01 0.00 -0.22 0.00 0.00 54.13 52.46 1ckr s LEU 391 Cb -0.02 -2.51 -0.00 0.00 0.50 0.00 0.00 46.19 44.16 1ckr s LEU 391 CO 0.01 -1.27 -0.02 -0.76 -1.32 0.00 0.00 176.35 172.99 1ckr s LEU 392 N 3.96 2.01 -1.24 -0.68 1.43 -1.26 -5.09 118.68 117.81 1ckr s LEU 392 Ca 0.44 -0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 53.35 1ckr s LEU 392 Cb -0.01 -0.11 0.15 0.00 0.03 0.00 0.00 46.19 46.24 1ckr s LEU 392 CO -0.06 0.02 1.56 0.47 0.23 0.00 0.00 176.35 178.58 1ckr n ASP 393 N 3.01 5.12 -4.74 2.29 8.00 -1.26 -5.00 116.55 123.96 1ckr n ASP 393 Ca -0.12 -2.97 -0.34 0.00 0.71 0.00 0.00 54.79 52.06 1ckr n ASP 393 Cb 0.59 -1.60 -0.08 0.00 -0.02 0.00 0.00 41.12 40.01 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 2.07 4.56 0.03 2.53 -7.23 -1.26 -1.86 120.40 119.24 1ckr s VAL 394 Ca 0.45 -0.30 -0.18 0.00 -1.81 0.00 0.00 61.98 60.14 1ckr s VAL 394 Cb 0.00 -3.00 -0.06 0.00 0.56 0.00 0.00 36.38 33.88 1ckr s VAL 394 CO 0.02 0.49 0.51 0.28 -0.31 0.00 0.00 175.10 176.08 1ckr s THR 395 N -1.03 4.87 0.57 5.32 -1.32 -0.83 -4.86 115.64 118.36 1ckr s THR 395 Ca 0.18 1.06 0.26 0.00 -1.21 0.00 0.00 61.69 61.98 1ckr s THR 395 Cb -0.12 -3.83 0.33 0.00 -1.51 0.00 0.00 72.50 67.38 1ckr s THR 395 CO 0.08 0.55 2.22 1.55 -2.21 0.00 0.00 174.62 176.80 1ckr h PRO 396 N 4.73 0.00 -6.12 7.08 0.13 -1.94 -2.79 132.00 133.09 1ckr h PRO 396 Ca -0.50 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.02 1ckr h PRO 396 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 1ckr h PRO 396 CO 0.63 0.00 -0.74 -1.17 -0.23 0.00 0.00 178.00 176.49 1ckr s LEU 397 N -8.10 2.62 -0.24 1.56 2.96 -1.26 -3.06 118.68 113.16 1ckr s LEU 397 Ca -0.05 -1.07 -0.19 0.00 -0.22 0.00 0.00 54.13 52.60 1ckr s LEU 397 Cb 0.16 -1.06 -0.03 0.00 0.50 0.00 0.00 46.19 45.76 1ckr s LEU 397 CO 0.58 -0.03 0.54 -0.55 -1.32 0.00 0.00 176.35 175.58 1ckr s SER 398 N -3.53 6.50 -0.24 3.68 0.15 -1.20 -4.55 113.70 114.51 1ckr s SER 398 Ca 0.30 0.60 -0.11 0.00 0.70 0.00 0.00 55.95 57.44 1ckr s SER 398 Cb -0.03 -2.30 -0.05 0.00 -1.71 0.00 0.00 66.02 61.94 1ckr s SER 398 CO 0.15 -0.28 0.19 -0.76 1.20 0.00 0.00 173.24 173.75 1ckr s LEU 399 N 2.19 4.12 0.00 3.45 1.43 -1.26 -3.80 118.68 124.81 1ckr s LEU 399 Ca 0.23 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1ckr s LEU 399 Cb -0.16 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 43.90 1ckr s LEU 399 CO 0.09 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.32 1ckr n GLY 400 N 4.25 5.65 3.10 -3.19 0.00 -1.08 -4.42 105.19 109.49 1ckr n GLY 400 Ca -0.14 -1.49 -0.20 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.20 0.96 -0.24 -0.61 -4.36 -1.15 -2.18 121.20 113.44 1ckr s ILE 401 Ca 0.00 -0.74 -0.28 0.00 -0.26 0.00 0.00 60.65 59.37 1ckr s ILE 401 Cb 0.00 -0.85 0.01 0.00 1.25 0.00 0.00 42.46 42.87 1ckr s ILE 401 CO 0.00 0.11 0.97 -0.70 0.24 0.00 0.00 174.94 175.56 1ckr s GLU 402 N -0.72 4.23 0.00 0.37 2.12 0.20 -2.77 118.70 122.13 1ckr s GLU 402 Ca 0.02 1.22 -0.03 0.00 0.36 0.00 0.00 54.97 56.54 1ckr s GLU 402 Cb -0.06 -3.64 -0.01 0.00 0.26 0.00 0.00 34.13 30.68 1ckr s GLU 402 CO 0.00 -0.60 0.04 0.95 -0.54 0.00 0.00 175.26 175.11 1ckr s THR 403 N 3.10 0.07 0.00 -1.70 -4.23 0.10 -3.64 115.64 109.34 1ckr s THR 403 Ca 0.41 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 1ckr s THR 403 Cb -0.15 -0.26 0.00 0.00 1.34 0.00 0.00 72.50 73.43 1ckr s THR 403 CO 0.07 -0.32 0.00 0.00 -0.54 0.00 0.00 174.62 173.82 1ckr n ALA 404 N 1.98 0.00 -1.45 3.99 0.00 -1.26 -2.11 120.51 121.66 1ckr n ALA 404 Ca -0.20 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.96 1ckr n ALA 404 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 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 4.56 2.18 0.00 0.00 -1.26 -4.68 105.19 106.00 1ckr n GLY 405 Ca 0.00 -1.87 -0.07 0.00 0.00 0.00 0.00 46.02 44.08 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 0.49 0.62 3.65 -0.02 0.00 -1.10 -4.96 105.19 103.85 1ckr n GLY 406 Ca 0.47 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.30 2.85 0.70 1.61 -7.23 -0.90 -4.31 120.40 110.82 1ckr s VAL 407 Ca 0.00 -1.93 -0.10 0.00 -1.81 0.00 0.00 61.98 58.15 1ckr s VAL 407 Cb 0.00 -2.82 0.03 0.00 0.56 0.00 0.00 36.38 34.16 1ckr s VAL 407 CO 0.00 -0.24 1.06 -0.32 -0.31 0.00 0.00 175.10 175.29 1ckr s MET 408 N -3.73 2.59 -0.16 4.82 1.75 -1.23 0.01 119.30 123.34 1ckr s MET 408 Ca 0.35 0.18 -0.08 0.00 -1.25 0.00 0.00 55.69 54.88 1ckr s MET 408 Cb -0.02 -2.08 0.06 0.00 2.84 0.00 0.00 34.83 35.63 1ckr s MET 408 CO 0.20 -1.11 0.38 0.99 -0.65 0.00 0.00 175.02 174.84 1ckr s THR 409 N -3.31 -0.14 -0.21 10.11 2.01 -1.11 -3.91 115.64 119.08 1ckr s THR 409 Ca 0.58 0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.72 1ckr s THR 409 Cb -0.11 -0.58 0.04 0.00 0.01 0.00 0.00 72.50 71.86 1ckr s THR 409 CO 0.49 0.05 -0.14 0.54 -0.69 0.00 0.00 174.62 174.87 1ckr s VAL 410 N 1.61 1.96 -0.23 3.82 0.11 -1.26 -2.91 120.40 123.50 1ckr s VAL 410 Ca -0.08 -1.19 0.21 0.00 -2.93 0.00 0.00 61.98 57.99 1ckr s VAL 410 Cb -0.09 -1.95 0.00 0.00 -1.53 0.00 0.00 36.38 32.81 1ckr s VAL 410 CO -0.12 0.23 1.06 0.17 -3.33 0.00 0.00 175.10 173.11 1ckr h LEU 411 N 7.90 0.00 0.00 2.54 8.10 -1.98 -3.48 115.31 128.39 1ckr h LEU 411 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.68 1ckr h LEU 411 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.31 1ckr h LEU 411 CO 0.53 0.12 0.00 -0.38 -4.11 0.00 0.00 178.44 174.60 1ckr n ILE 412 N -2.77 0.00 -3.54 0.15 2.08 -1.26 -5.00 119.36 109.02 1ckr n ILE 412 Ca -0.01 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.19 1ckr n ILE 412 Cb 0.61 -1.66 -0.02 0.00 -0.75 0.00 0.00 39.64 37.81 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 0.49 1.41 0.20 0.38 0.00 -1.26 -4.94 119.74 116.01 1ckr s LYS 413 Ca 0.00 -0.61 -0.30 0.00 0.00 0.00 0.00 55.97 55.06 1ckr s LYS 413 Cb 0.00 0.59 -0.08 0.00 0.00 0.00 0.00 37.83 38.34 1ckr s LYS 413 CO 0.00 -0.63 1.18 0.50 0.00 0.00 0.00 175.35 176.40 1ckr s ARG 414 N -3.80 4.52 -1.12 1.78 3.52 -1.26 -3.23 118.95 119.36 1ckr s ARG 414 Ca 0.04 1.85 -0.08 0.00 -0.13 0.00 0.00 55.73 57.41 1ckr s ARG 414 Cb -0.02 -3.24 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 1ckr s ARG 414 CO -0.08 -0.04 0.87 0.09 -0.81 0.00 0.00 175.30 175.34 1ckr n ASN 415 N 2.32 -5.05 -4.69 -2.12 3.02 -1.14 -4.96 115.26 102.64 1ckr n ASN 415 Ca 0.03 -0.79 -0.40 0.00 -0.03 0.00 0.00 54.58 53.40 1ckr n ASN 415 Cb 0.45 -4.60 -0.05 0.00 -0.61 0.00 0.00 39.78 34.97 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 -3.44 5.04 -0.84 3.41 -1.32 -1.07 -4.84 115.64 112.58 1ckr s THR 416 Ca 0.35 1.31 -0.25 0.00 -1.21 0.00 0.00 61.69 61.89 1ckr s THR 416 Cb -0.07 -3.99 -0.04 0.00 -1.51 0.00 0.00 72.50 66.89 1ckr s THR 416 CO 0.78 0.19 1.92 -0.89 -2.21 0.00 0.00 174.62 174.41 1ckr s THR 417 N 1.30 3.44 0.30 5.08 2.01 -1.26 -1.97 115.64 124.53 1ckr s THR 417 Ca 0.33 -0.25 -0.14 0.00 0.31 0.00 0.00 61.69 61.93 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 0.14 -0.96 0.70 0.27 -0.69 0.00 0.00 174.62 174.08 1ckr s ILE 418 N 9.76 4.72 0.64 1.82 -4.36 -0.78 -4.48 121.20 128.51 1ckr s ILE 418 Ca 0.69 0.89 -0.16 0.00 -0.26 0.00 0.00 60.65 61.81 1ckr s ILE 418 Cb -0.08 -3.63 -0.01 0.00 1.25 0.00 0.00 42.46 39.99 1ckr s ILE 418 CO 0.04 -0.13 1.14 -2.16 0.24 0.00 0.00 174.94 174.06 1ckr s PRO 419 N -2.86 2.84 -0.23 0.37 0.04 -1.26 -4.70 135.00 129.19 1ckr s PRO 419 Ca 0.52 1.53 -0.13 0.00 0.04 0.00 0.00 61.00 62.95 1ckr s PRO 419 Cb -0.11 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.56 1ckr s PRO 419 CO 0.18 -1.25 0.57 -0.08 0.04 0.00 0.00 177.00 176.47 1ckr s THR 420 N -2.11 -0.01 -0.49 1.26 -1.32 -0.90 -4.96 115.64 107.11 1ckr s THR 420 Ca 0.70 0.04 -0.09 0.00 -1.21 0.00 0.00 61.69 61.13 1ckr s THR 420 Cb -0.23 -0.83 0.12 0.00 -1.51 0.00 0.00 72.50 70.05 1ckr s THR 420 CO 0.38 0.02 0.37 -0.75 -2.21 0.00 0.00 174.62 172.43 1ckr s LYS 421 N 1.51 2.54 -0.21 7.08 2.20 -1.25 -0.61 119.74 131.00 1ckr s LYS 421 Ca -0.10 -1.82 -0.05 0.00 -0.36 0.00 0.00 55.97 53.65 1ckr s LYS 421 Cb -0.06 -3.96 -0.02 0.00 -1.51 0.00 0.00 37.83 32.28 1ckr s LYS 421 CO -0.16 -1.21 0.01 -0.65 -0.36 0.00 0.00 175.35 172.98 1ckr s GLN 422 N 1.28 3.59 -0.47 4.03 -0.21 -0.47 -4.92 119.66 122.49 1ckr s GLN 422 Ca 0.06 -0.53 -0.12 0.00 0.02 0.00 0.00 55.36 54.80 1ckr s GLN 422 Cb -0.26 -3.12 0.10 0.00 1.00 0.00 0.00 33.01 30.73 1ckr s GLN 422 CO -0.01 -0.06 0.35 0.95 -2.12 0.00 0.00 175.29 174.41 1ckr s THR 423 N 1.19 4.60 -0.29 -0.19 -4.23 -1.26 -0.73 115.64 114.72 1ckr s THR 423 Ca 0.03 -1.46 -0.10 0.00 -1.18 0.00 0.00 61.69 58.98 1ckr s THR 423 Cb -0.14 -3.88 -0.03 0.00 1.34 0.00 0.00 72.50 69.79 1ckr s THR 423 CO 0.01 -0.66 0.16 -1.58 -0.54 0.00 0.00 174.62 172.01 1ckr s GLN 424 N 1.48 3.66 -0.45 3.99 2.00 -1.05 -4.99 119.66 124.31 1ckr s GLN 424 Ca 0.04 -0.50 -0.25 0.00 -2.00 0.00 0.00 55.36 52.65 1ckr s GLN 424 Cb -0.25 -3.58 0.03 0.00 0.80 0.00 0.00 33.01 30.00 1ckr s GLN 424 CO 0.02 -0.28 0.89 0.99 -0.50 0.00 0.00 175.29 176.41 1ckr s THR 425 N 1.68 4.52 0.32 -0.34 2.01 -1.26 -1.20 115.64 121.38 1ckr s THR 425 Ca 0.06 0.69 -0.05 0.00 0.31 0.00 0.00 61.69 62.70 1ckr s THR 425 Cb -0.16 -4.40 -0.05 0.00 0.01 0.00 0.00 72.50 67.90 1ckr s THR 425 CO 0.08 -0.79 0.59 -0.36 -0.69 0.00 0.00 174.62 173.45 1ckr s PHE 426 N 3.62 3.49 0.02 4.92 0.40 0.81 -4.96 117.98 126.27 1ckr s PHE 426 Ca 0.35 0.65 0.00 0.00 -0.60 0.00 0.00 56.93 57.33 1ckr s PHE 426 Cb -0.11 -2.12 0.00 0.00 0.51 0.00 0.00 43.02 41.30 1ckr s PHE 426 CO 0.25 0.10 0.01 -2.37 0.70 0.00 0.00 175.22 173.91 1ckr n THR 427 N -1.20 0.00 -4.38 0.64 5.66 0.56 -0.38 114.28 115.18 1ckr n THR 427 Ca -0.02 -0.07 -0.31 0.00 -3.05 0.00 0.00 64.05 60.61 1ckr n THR 427 Cb 0.54 -0.32 -0.10 0.00 -1.55 0.00 0.00 70.33 68.91 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 -0.41 3.59 -0.13 1.09 -4.23 -0.37 -4.09 115.64 111.09 1ckr s THR 428 Ca 0.01 -0.93 -0.26 0.00 -1.18 0.00 0.00 61.69 59.33 1ckr s THR 428 Cb -0.00 -2.61 -0.23 0.00 1.34 0.00 0.00 72.50 71.00 1ckr s THR 428 CO 0.00 0.29 0.73 0.22 -0.54 0.00 0.00 174.62 175.33 1ckr h TYR 429 N 4.19 -0.01 -4.17 3.99 5.03 -1.91 -2.27 116.97 121.82 1ckr h TYR 429 Ca -0.48 -0.00 -0.51 0.00 2.58 0.00 0.00 58.73 60.32 1ckr h TYR 429 Cb 1.17 0.00 0.10 0.00 1.55 0.00 0.00 36.73 39.55 1ckr h TYR 429 CO 0.58 0.86 0.39 -1.12 -1.32 0.00 0.00 178.16 177.55 1ckr s SER 430 N -6.11 5.10 -0.26 -2.11 0.01 -1.26 -4.30 113.70 104.77 1ckr s SER 430 Ca -0.17 2.09 -0.29 0.00 1.31 0.00 0.00 55.95 58.89 1ckr s SER 430 Cb -0.02 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.65 1ckr s SER 430 CO 0.62 -1.64 1.14 1.51 0.41 0.00 0.00 173.24 175.28 1ckr s ASP 431 N -2.34 6.94 0.02 2.44 -4.77 -1.26 -4.22 116.67 113.48 1ckr s ASP 431 Ca 0.69 1.28 0.00 0.00 -3.30 0.00 0.00 52.55 51.23 1ckr s ASP 431 Cb -0.22 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.06 1ckr s ASP 431 CO 0.39 -0.83 0.00 0.59 0.70 0.00 0.00 175.17 176.02 1ckr n ASN 432 N 6.79 -6.33 0.00 2.11 3.02 -0.47 -4.85 115.26 115.54 1ckr n ASN 432 Ca 0.13 1.04 0.00 0.00 -0.03 0.00 0.00 54.58 55.72 1ckr n ASN 432 Cb 0.46 -3.42 0.00 0.00 -0.61 0.00 0.00 39.78 36.22 1ckr n ASN 432 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1ckr n GLN 433 N 1.06 0.00 -0.90 3.52 7.27 -1.26 -4.94 117.38 122.13 1ckr n GLN 433 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.86 1ckr n GLN 433 Cb 0.00 -0.34 -0.11 0.00 2.41 0.00 0.00 30.24 32.21 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 -1.94 0.00 -2.16 3.69 -0.02 -1.26 -4.29 135.00 129.02 1ckr n PRO 434 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 1ckr n PRO 434 Cb 0.00 -0.81 -0.03 0.00 -0.02 0.00 0.00 33.50 32.64 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 3.71 1.81 0.06 -1.23 0.00 -1.26 -4.94 107.32 105.48 1ckr s GLY 435 Ca 0.81 0.97 0.05 0.00 0.00 0.00 0.00 44.72 46.55 1ckr s GLY 435 CO 0.31 2.57 -0.13 -1.34 0.00 0.00 0.00 173.10 174.51 1ckr s VAL 436 N 2.30 1.02 -0.12 1.40 -7.23 0.20 -4.98 120.40 112.99 1ckr s VAL 436 Ca 0.66 -1.24 -0.29 0.00 -1.81 0.00 0.00 61.98 59.29 1ckr s VAL 436 Cb -0.34 -0.99 -0.01 0.00 0.56 0.00 0.00 36.38 35.60 1ckr s VAL 436 CO 0.28 -0.23 1.01 -0.22 -0.31 0.00 0.00 175.10 175.63 1ckr s LEU 437 N -1.66 4.23 -0.25 1.32 2.96 -1.26 -0.45 118.68 123.57 1ckr s LEU 437 Ca -0.03 1.51 -0.02 0.00 -0.22 0.00 0.00 54.13 55.37 1ckr s LEU 437 Cb -0.10 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.06 1ckr s LEU 437 CO 0.02 -0.48 -0.05 -0.63 -1.32 0.00 0.00 176.35 173.89 1ckr s ILE 438 N 2.18 3.03 -0.08 6.68 -1.09 0.63 -4.85 121.20 127.70 1ckr s ILE 438 Ca 0.48 -0.93 0.03 0.00 -2.23 0.00 0.00 60.65 58.00 1ckr s ILE 438 Cb -0.18 -2.52 0.01 0.00 -1.58 0.00 0.00 42.46 38.19 1ckr s ILE 438 CO 0.16 0.22 -0.18 -1.10 -1.23 0.00 0.00 174.94 172.81 1ckr s GLN 439 N 1.36 2.28 -0.09 2.79 -0.21 -1.24 -0.97 119.66 123.58 1ckr s GLN 439 Ca 0.01 -0.64 -0.13 0.00 0.02 0.00 0.00 55.36 54.62 1ckr s GLN 439 Cb -0.16 -1.81 -0.05 0.00 1.00 0.00 0.00 33.01 31.99 1ckr s GLN 439 CO -0.04 0.13 0.32 0.08 -2.12 0.00 0.00 175.29 173.66 1ckr s VAL 440 N 0.43 5.24 -0.21 1.09 1.01 0.38 -0.63 120.40 127.71 1ckr s VAL 440 Ca -0.15 0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.47 1ckr s VAL 440 Cb -0.16 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1ckr s VAL 440 CO 0.06 0.49 -0.17 -0.31 0.00 0.00 0.00 175.10 175.17 1ckr s TYR 441 N -0.32 2.93 -0.80 5.22 1.51 -0.92 -2.33 117.35 122.64 1ckr s TYR 441 Ca 0.19 -1.81 -0.18 0.00 -1.01 0.00 0.00 57.07 54.26 1ckr s TYR 441 Cb -0.14 -1.93 0.13 0.00 -0.11 0.00 0.00 41.96 39.91 1ckr s TYR 441 CO 0.08 -0.82 0.94 -2.00 -1.11 0.00 0.00 175.55 172.64 1ckr s GLU 442 N 1.24 3.40 0.00 -0.62 2.12 -1.02 -2.64 118.70 121.18 1ckr s GLU 442 Ca 0.01 -1.65 0.00 0.00 0.36 0.00 0.00 54.97 53.69 1ckr s GLU 442 Cb -0.15 -4.59 0.00 0.00 0.26 0.00 0.00 34.13 29.65 1ckr s GLU 442 CO -0.10 -1.64 0.00 0.41 -0.54 0.00 0.00 175.26 173.38 1ckr n GLY 443 N 5.17 -0.83 3.64 -1.50 0.00 -1.25 -1.24 105.19 109.17 1ckr n GLY 443 Ca 0.10 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 1ckr n GLY 443 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ckr s GLU 444 N -0.27 0.53 0.00 1.61 2.12 -1.26 -3.32 118.70 118.11 1ckr s GLU 444 Ca 0.00 0.71 0.00 0.00 0.36 0.00 0.00 54.97 56.04 1ckr s GLU 444 Cb 0.00 0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.60 1ckr s GLU 444 CO 0.00 -0.08 0.00 -2.13 -0.54 0.00 0.00 175.26 172.51 1ckr n ARG 445 N 2.80 1.85 -0.92 4.30 0.00 -1.26 -4.53 116.66 118.90 1ckr n ARG 445 Ca -0.15 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.56 1ckr n ARG 445 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 33.01 1ckr n ARG 445 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ckr n ALA 446 N -3.00 5.25 -0.24 5.13 0.00 -1.26 -4.86 120.51 121.53 1ckr n ALA 446 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 53.44 51.89 1ckr n ALA 446 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1ckr n ALA 446 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ckr n MET 447 N 0.96 -0.67 -1.73 0.00 2.81 -1.26 -4.65 117.12 112.58 1ckr n MET 447 Ca 0.28 0.48 0.00 0.00 -1.81 0.00 0.00 57.70 56.66 1ckr n MET 447 Cb 0.59 -0.54 0.00 0.00 -0.71 0.00 0.00 33.22 32.57 1ckr n MET 447 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1ckr n THR 448 N -0.48 0.00 0.00 2.03 -2.24 -1.26 -4.93 114.28 107.41 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 -1.72 0.00 0.00 -2.10 0.00 0.00 70.33 66.51 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 -0.66 0.00 -2.74 -0.78 0.00 -1.26 -5.06 118.16 107.66 1ckr n LYS 449 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 58.31 58.23 1ckr n LYS 449 Cb 0.40 -0.09 0.07 0.00 0.00 0.00 0.00 35.03 35.41 1ckr n LYS 449 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ckr n ASP 450 N -0.54 -2.60 -4.92 3.14 9.92 -1.26 -5.05 116.55 115.25 1ckr n ASP 450 Ca 0.00 -3.49 -0.27 0.00 -0.53 0.00 0.00 54.79 50.50 1ckr n ASP 450 Cb 0.00 1.88 0.04 0.00 -0.64 0.00 0.00 41.12 42.39 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 -1.46 5.53 -0.75 -2.24 2.20 -1.21 -4.55 114.94 112.46 1ckr s ASN 451 Ca 0.27 0.73 -0.15 0.00 -0.94 0.00 0.00 52.86 52.77 1ckr s ASN 451 Cb 0.26 -1.68 0.19 0.00 -2.00 0.00 0.00 41.25 38.01 1ckr s ASN 451 CO -0.15 -1.12 0.72 0.20 -2.94 0.00 0.00 177.10 173.81 1ckr s ASN 452 N -4.32 6.58 -0.24 3.54 0.01 -0.37 -4.88 114.94 115.26 1ckr s ASN 452 Ca 0.55 -2.36 -0.29 0.00 -0.71 0.00 0.00 52.86 50.05 1ckr s ASN 452 Cb -0.11 -2.23 -0.03 0.00 0.41 0.00 0.00 41.25 39.30 1ckr s ASN 452 CO 0.46 -0.70 1.81 -0.22 -1.51 0.00 0.00 177.10 176.93 1ckr s LEU 453 N 0.80 3.71 -0.09 0.60 0.20 -1.26 -2.43 118.68 120.21 1ckr s LEU 453 Ca 0.15 1.62 -0.04 0.00 0.69 0.00 0.00 54.13 56.55 1ckr s LEU 453 Cb -0.16 -3.53 0.05 0.00 -0.43 0.00 0.00 46.19 42.12 1ckr s LEU 453 CO -0.05 -1.52 0.19 -1.48 -0.29 0.00 0.00 176.35 173.19 1ckr s LEU 454 N 6.27 0.28 0.06 -0.68 0.05 -0.98 -5.02 118.68 118.65 1ckr s LEU 454 Ca 0.81 0.40 0.00 0.00 0.05 0.00 0.00 54.13 55.39 1ckr s LEU 454 Cb -0.27 0.47 0.00 0.00 -2.05 0.00 0.00 46.19 44.34 1ckr s LEU 454 CO 0.33 -0.19 0.00 0.61 -0.55 0.00 0.00 176.35 176.55 1ckr n GLY 455 N 4.69 -3.50 3.43 -3.48 0.00 -1.26 -3.38 105.19 101.69 1ckr n GLY 455 Ca -0.17 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 1ckr n GLY 455 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ckr s LYS 456 N -4.18 0.57 0.06 1.61 -2.85 -1.26 -0.47 119.74 113.22 1ckr s LYS 456 Ca 0.00 0.87 0.02 0.00 -1.00 0.00 0.00 55.97 55.86 1ckr s LYS 456 Cb 0.00 0.16 -0.03 0.00 -2.06 0.00 0.00 37.83 35.90 1ckr s LYS 456 CO 0.00 -0.12 -0.07 -0.59 0.10 0.00 0.00 175.35 174.67 1ckr s PHE 457 N 0.96 0.68 -0.20 1.78 -0.71 -0.14 -5.01 117.98 115.34 1ckr s PHE 457 Ca -0.05 -0.66 -0.09 0.00 -1.04 0.00 0.00 56.93 55.09 1ckr s PHE 457 Cb -0.06 -0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 41.30 1ckr s PHE 457 CO -0.08 -0.13 0.10 -2.00 -1.34 0.00 0.00 175.22 171.76 1ckr s GLU 458 N -2.36 4.02 -0.17 1.99 2.12 -1.26 -0.27 118.70 122.77 1ckr s GLU 458 Ca -0.03 -0.31 -0.05 0.00 0.36 0.00 0.00 54.97 54.93 1ckr s GLU 458 Cb -0.04 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 1ckr s GLU 458 CO -0.02 0.20 0.01 -1.17 -0.54 0.00 0.00 175.26 173.74 1ckr s LEU 459 N 0.59 3.48 0.05 2.70 1.98 0.40 -4.98 118.68 122.91 1ckr s LEU 459 Ca 0.05 -0.05 -0.12 0.00 -2.89 0.00 0.00 54.13 51.12 1ckr s LEU 459 Cb -0.12 -1.86 0.01 0.00 0.66 0.00 0.00 46.19 44.88 1ckr s LEU 459 CO 0.01 0.16 0.27 0.42 -1.89 0.00 0.00 176.35 175.31 1ckr s THR 460 N 0.44 0.10 0.00 3.68 -4.23 -1.26 -0.63 115.64 113.74 1ckr s THR 460 Ca -0.01 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1ckr s THR 460 Cb -0.14 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.70 1ckr s THR 460 CO 0.02 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 1ckr n GLY 461 N 0.46 0.60 3.89 3.99 0.00 -1.26 -5.06 105.19 107.81 1ckr n GLY 461 Ca -0.18 -0.80 -0.33 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 -0.81 5.17 -0.07 -0.61 1.01 -1.26 -4.90 121.20 119.74 1ckr s ILE 462 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.50 1ckr s ILE 462 Cb 0.00 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 1ckr s ILE 462 CO 0.00 0.15 1.55 -2.16 0.00 0.00 0.00 174.94 174.47 1ckr s PRO 463 N -2.35 4.20 -0.55 2.79 0.04 -1.26 -4.61 135.00 133.27 1ckr s PRO 463 Ca 0.37 2.06 -0.27 0.00 0.04 0.00 0.00 61.00 63.20 1ckr s PRO 463 Cb -0.13 -3.88 0.03 0.00 0.04 0.00 0.00 34.50 30.56 1ckr s PRO 463 CO 0.22 -0.79 1.12 -1.25 0.04 0.00 0.00 177.00 176.34 1ckr s PRO 464 N 3.71 3.52 0.38 0.56 0.04 -1.26 -4.43 135.00 137.51 1ckr s PRO 464 Ca 0.69 0.20 0.05 0.00 0.04 0.00 0.00 61.00 61.98 1ckr s PRO 464 Cb -0.31 -4.00 -0.07 0.00 0.04 0.00 0.00 34.50 30.17 1ckr s PRO 464 CO 0.26 -1.57 0.03 0.00 0.04 0.00 0.00 177.00 175.77 1ckr s ALA 465 N 4.61 2.89 -1.06 8.56 0.00 -1.26 -4.92 121.76 130.58 1ckr s ALA 465 Ca 0.41 -2.08 -0.17 0.00 0.00 0.00 0.00 51.96 50.12 1ckr s ALA 465 Cb -0.08 0.38 0.15 0.00 0.00 0.00 0.00 23.12 23.56 1ckr s ALA 465 CO 0.25 -0.20 1.28 -1.25 0.00 0.00 0.00 175.76 175.85 1ckr s PRO 466 N -3.79 3.82 0.16 0.00 0.04 -1.26 -1.37 135.00 132.60 1ckr s PRO 466 Ca 0.34 -2.12 0.00 0.00 0.04 0.00 0.00 61.00 59.26 1ckr s PRO 466 Cb 0.09 -5.00 0.00 0.00 0.04 0.00 0.00 34.50 29.63 1ckr s PRO 466 CO 0.16 -1.79 0.00 -2.13 0.04 0.00 0.00 177.00 173.29 1ckr n ARG 467 N 6.22 -3.92 0.00 4.56 3.00 -1.26 -4.60 116.66 120.66 1ckr n ARG 467 Ca 0.30 2.92 0.00 0.00 -0.00 0.00 0.00 57.85 61.07 1ckr n ARG 467 Cb 0.46 -2.99 0.00 0.00 0.00 0.00 0.00 32.46 29.93 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 1.25 1.33 0.10 5.14 0.00 -0.85 -4.80 105.19 107.35 1ckr n GLY 468 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.74 1.31 -1.79 1.61 3.14 -1.26 -4.62 118.33 114.97 1ckr n VAL 469 Ca 0.00 -0.74 -0.41 0.00 -2.96 0.00 0.00 64.34 60.23 1ckr n VAL 469 Cb 0.00 -0.68 -0.01 0.00 -1.06 0.00 0.00 33.84 32.09 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 -2.46 4.12 0.17 1.45 0.02 -1.26 -4.87 135.00 132.17 1ckr s PRO 470 Ca -0.14 2.57 -0.18 0.00 0.02 0.00 0.00 61.00 63.27 1ckr s PRO 470 Cb 0.06 -3.00 0.04 0.00 0.02 0.00 0.00 34.50 31.62 1ckr s PRO 470 CO 0.72 -0.58 0.50 1.14 -0.33 0.00 0.00 177.00 178.45 1ckr s GLN 471 N -1.21 1.28 -0.06 5.54 -2.07 -1.26 -1.24 119.66 120.65 1ckr s GLN 471 Ca 0.58 -0.77 -0.03 0.00 -1.82 0.00 0.00 55.36 53.33 1ckr s GLN 471 Cb -0.47 0.52 0.03 0.00 -1.09 0.00 0.00 33.01 32.00 1ckr s GLN 471 CO 0.55 -0.54 0.13 0.96 -1.32 0.00 0.00 175.29 175.07 1ckr s ILE 472 N -3.84 -0.04 -0.56 3.63 -0.00 0.48 -4.40 121.20 116.47 1ckr s ILE 472 Ca 0.06 0.16 -0.22 0.00 -0.00 0.00 0.00 60.65 60.66 1ckr s ILE 472 Cb -0.00 -0.21 0.06 0.00 -0.00 0.00 0.00 42.46 42.30 1ckr s ILE 472 CO -0.07 0.07 0.81 -0.70 -0.00 0.00 0.00 174.94 175.05 1ckr s GLU 473 N 1.00 3.19 -0.78 0.37 2.12 0.89 -0.13 118.70 125.36 1ckr s GLU 473 Ca -0.08 -0.69 -0.25 0.00 0.36 0.00 0.00 54.97 54.30 1ckr s GLU 473 Cb -0.10 -4.12 0.04 0.00 0.26 0.00 0.00 34.13 30.21 1ckr s GLU 473 CO -0.05 -1.45 1.26 0.08 -0.54 0.00 0.00 175.26 174.56 1ckr s VAL 474 N 3.37 3.86 -0.27 3.70 1.01 -0.34 -0.34 120.40 131.40 1ckr s VAL 474 Ca 0.22 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 62.09 1ckr s VAL 474 Cb -0.17 -4.91 -0.04 0.00 0.00 0.00 0.00 36.38 31.26 1ckr s VAL 474 CO 0.14 -1.81 0.36 -0.89 0.00 0.00 0.00 175.10 172.90 1ckr s THR 475 N 5.30 5.18 -0.50 3.92 2.01 0.10 -2.51 115.64 129.14 1ckr s THR 475 Ca 0.35 0.55 -0.09 0.00 0.31 0.00 0.00 61.69 62.81 1ckr s THR 475 Cb -0.08 -3.69 0.13 0.00 0.01 0.00 0.00 72.50 68.87 1ckr s THR 475 CO 0.09 0.16 0.37 -0.36 -0.69 0.00 0.00 174.62 174.20 1ckr s PHE 476 N 2.05 3.43 -0.69 4.92 0.40 0.09 -0.26 117.98 127.92 1ckr s PHE 476 Ca 0.15 -1.90 -0.16 0.00 -0.60 0.00 0.00 56.93 54.42 1ckr s PHE 476 Cb -0.16 -3.51 0.16 0.00 0.51 0.00 0.00 43.02 40.02 1ckr s PHE 476 CO 0.10 -0.99 0.68 0.34 0.70 0.00 0.00 175.22 176.05 1ckr s ASP 477 N 2.60 6.46 0.01 1.36 2.15 -0.61 -1.37 116.67 127.27 1ckr s ASP 477 Ca 0.07 -2.15 -0.22 0.00 0.43 0.00 0.00 52.55 50.68 1ckr s ASP 477 Cb -0.25 -2.23 -0.05 0.00 -0.30 0.00 0.00 42.92 40.08 1ckr s ASP 477 CO -0.01 -0.78 0.65 -0.63 -0.17 0.00 0.00 175.17 174.23 1ckr s ILE 478 N 1.19 4.86 0.28 4.11 1.01 0.22 -0.71 121.20 132.17 1ckr s ILE 478 Ca 0.12 1.37 -0.08 0.00 0.00 0.00 0.00 60.65 62.07 1ckr s ILE 478 Cb -0.19 -3.99 -0.06 0.00 0.01 0.00 0.00 42.46 38.22 1ckr s ILE 478 CO -0.02 0.39 0.59 -1.81 0.00 0.00 0.00 174.94 174.08 1ckr s ASP 479 N -0.08 6.53 0.60 3.58 1.01 0.13 -2.12 116.67 126.33 1ckr s ASP 479 Ca 0.34 0.87 0.29 0.00 0.71 0.00 0.00 52.55 54.75 1ckr s ASP 479 Cb -0.19 -2.21 1.44 0.00 1.01 0.00 0.00 42.92 42.97 1ckr s ASP 479 CO 0.19 -0.18 1.85 0.00 0.21 0.00 0.00 175.17 177.24 1ckr h ALA 480 N 1.97 2.19 -0.38 5.23 0.00 -1.87 -1.90 119.26 124.50 1ckr h ALA 480 Ca -0.47 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.21 1ckr h ALA 480 Cb 1.18 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.89 1ckr h ALA 480 CO 0.67 -0.78 0.28 0.09 0.00 0.00 0.00 179.25 179.51 1ckr n ASN 481 N -3.62 4.16 -3.87 0.00 4.13 -1.26 -4.84 115.26 109.96 1ckr n ASN 481 Ca 0.09 -2.71 -0.27 0.00 1.68 0.00 0.00 54.58 53.37 1ckr n ASN 481 Cb 0.72 -0.76 0.02 0.00 -1.54 0.00 0.00 39.78 38.22 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 0.08 -0.41 3.33 7.41 0.00 -0.73 -4.80 105.19 110.08 1ckr n GLY 482 Ca 0.23 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.47 3.41 -0.42 -0.61 1.01 -1.09 -4.24 121.20 115.78 1ckr s ILE 483 Ca 0.41 -0.49 -0.16 0.00 0.00 0.00 0.00 60.65 60.41 1ckr s ILE 483 Cb -0.21 -2.54 0.03 0.00 0.01 0.00 0.00 42.46 39.75 1ckr s ILE 483 CO 0.84 0.44 0.35 -0.22 0.00 0.00 0.00 174.94 176.34 1ckr s LEU 484 N 1.28 5.10 -0.95 2.97 2.96 -0.92 0.21 118.68 129.33 1ckr s LEU 484 Ca 0.03 -0.89 -0.22 0.00 -0.22 0.00 0.00 54.13 52.84 1ckr s LEU 484 Cb -0.14 -2.22 0.08 0.00 0.50 0.00 0.00 46.19 44.40 1ckr s LEU 484 CO -0.02 -0.51 1.30 0.20 -1.32 0.00 0.00 176.35 176.00 1ckr s ASN 485 N 1.82 6.50 -0.25 3.68 0.01 0.11 -0.71 114.94 126.11 1ckr s ASN 485 Ca 0.07 -1.57 -0.21 0.00 -0.71 0.00 0.00 52.86 50.44 1ckr s ASN 485 Cb -0.19 -2.50 -0.02 0.00 0.41 0.00 0.00 41.25 38.95 1ckr s ASN 485 CO 0.11 -1.37 0.67 -0.69 -1.51 0.00 0.00 177.10 174.30 1ckr s VAL 486 N 4.17 4.96 0.16 1.60 1.01 0.20 -1.57 120.40 130.92 1ckr s VAL 486 Ca 0.39 1.21 0.09 0.00 0.00 0.00 0.00 61.98 63.68 1ckr s VAL 486 Cb -0.03 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1ckr s VAL 486 CO -0.07 0.01 -0.15 -0.55 0.00 0.00 0.00 175.10 174.34 1ckr s SER 487 N 1.44 3.98 -0.14 3.32 0.15 0.64 -1.19 113.70 121.90 1ckr s SER 487 Ca 0.28 -0.62 -0.00 0.00 0.70 0.00 0.00 55.95 56.31 1ckr s SER 487 Cb -0.15 -0.58 0.03 0.00 -1.71 0.00 0.00 66.02 63.61 1ckr s SER 487 CO 0.08 0.14 -0.10 0.00 1.20 0.00 0.00 173.24 174.56 1ckr s ALA 488 N -1.49 1.57 -0.21 5.45 0.00 -0.74 0.02 121.76 126.37 1ckr s ALA 488 Ca 0.22 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.40 1ckr s ALA 488 Cb -0.09 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 1ckr s ALA 488 CO 0.12 -0.48 -0.07 0.08 0.00 0.00 0.00 175.76 175.42 1ckr s VAL 489 N 1.60 3.22 -1.20 0.00 1.01 0.54 -2.65 120.40 122.92 1ckr s VAL 489 Ca 0.04 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 1ckr s VAL 489 Cb -0.13 -2.45 0.07 0.00 0.00 0.00 0.00 36.38 33.87 1ckr s VAL 489 CO -0.09 0.45 1.63 -1.81 0.00 0.00 0.00 175.10 175.27 1ckr s ASP 490 N 1.34 6.74 0.12 3.32 1.01 0.11 -0.07 116.67 129.24 1ckr s ASP 490 Ca 0.04 -2.16 -0.14 0.00 0.71 0.00 0.00 52.55 51.00 1ckr s ASP 490 Cb -0.14 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.18 1ckr s ASP 490 CO -0.04 -1.25 1.52 0.50 0.21 0.00 0.00 175.17 176.11 1ckr h LYS 491 N 8.26 0.72 -0.31 8.23 3.64 -1.82 0.16 116.57 135.46 1ckr h LYS 491 Ca 0.36 -0.28 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1ckr h LYS 491 Cb 0.92 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 1ckr h LYS 491 CO 1.43 0.88 0.21 0.77 -2.27 0.00 0.00 179.45 180.47 1ckr h SER 492 N 0.52 0.22 0.94 4.20 0.02 -1.89 -1.29 113.55 116.27 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 0.61 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1ckr h SER 492 CO 0.04 0.15 -0.09 0.41 -1.14 0.00 0.00 176.83 176.20 1ckr n THR 493 N -4.49 0.03 -3.82 -2.27 -1.04 -1.03 -5.02 114.28 96.65 1ckr n THR 493 Ca 0.03 -0.02 -0.28 0.00 -2.04 0.00 0.00 64.05 61.74 1ckr n THR 493 Cb 0.20 -0.38 0.01 0.00 -1.82 0.00 0.00 70.33 68.34 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 1.49 -1.21 2.88 3.41 0.00 0.51 -5.01 105.19 107.26 1ckr n GLY 494 Ca 0.07 0.54 -0.15 0.00 0.00 0.00 0.00 46.02 46.48 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 -5.38 0.18 0.09 1.61 2.47 -0.87 -5.00 119.74 112.83 1ckr s LYS 495 Ca 0.11 0.50 0.05 0.00 -1.56 0.00 0.00 55.97 55.07 1ckr s LYS 495 Cb -0.06 -0.57 -0.03 0.00 -1.46 0.00 0.00 37.83 35.71 1ckr s LYS 495 CO 0.90 -0.47 -0.13 -1.83 0.16 0.00 0.00 175.35 173.98 1ckr s GLU 496 N 2.39 0.87 0.05 4.03 -1.05 -1.26 0.05 118.70 123.77 1ckr s GLU 496 Ca 0.05 -1.05 0.06 0.00 -0.15 0.00 0.00 54.97 53.87 1ckr s GLU 496 Cb -0.14 -0.79 -0.02 0.00 -0.44 0.00 0.00 34.13 32.73 1ckr s GLU 496 CO -0.11 0.16 -0.17 -0.80 0.95 0.00 0.00 175.26 175.30 1ckr s ASN 497 N -2.02 2.04 -0.01 0.83 -0.87 -1.08 -4.99 114.94 108.84 1ckr s ASN 497 Ca 0.02 -0.51 -0.09 0.00 -1.57 0.00 0.00 52.86 50.71 1ckr s ASN 497 Cb -0.08 -0.14 0.01 0.00 -0.02 0.00 0.00 41.25 41.02 1ckr s ASN 497 CO 0.02 0.08 0.18 -1.59 -2.57 0.00 0.00 177.10 173.22 1ckr s LYS 498 N -1.24 0.51 -0.06 -0.60 -2.85 -1.26 -1.79 119.74 112.46 1ckr s LYS 498 Ca 0.04 -0.31 0.06 0.00 -1.00 0.00 0.00 55.97 54.76 1ckr s LYS 498 Cb -0.08 0.22 -0.01 0.00 -2.06 0.00 0.00 37.83 35.89 1ckr s LYS 498 CO 0.02 -0.13 -0.23 -1.50 0.10 0.00 0.00 175.35 173.61 1ckr s ILE 499 N -1.28 2.22 -0.41 3.79 2.07 -0.34 -4.96 121.20 122.30 1ckr s ILE 499 Ca -0.14 -1.01 -0.15 0.00 -1.41 0.00 0.00 60.65 57.95 1ckr s ILE 499 Cb -0.07 -1.82 0.02 0.00 0.13 0.00 0.00 42.46 40.72 1ckr s ILE 499 CO 0.02 0.57 0.30 -0.89 -1.91 0.00 0.00 174.94 173.03 1ckr s THR 500 N -0.20 5.26 -0.39 4.00 2.01 -1.26 -0.63 115.64 124.43 1ckr s THR 500 Ca -0.02 -0.64 -0.18 0.00 0.31 0.00 0.00 61.69 61.16 1ckr s THR 500 Cb -0.13 -3.92 0.01 0.00 0.01 0.00 0.00 72.50 68.46 1ckr s THR 500 CO 0.03 -0.30 0.52 -0.63 -0.69 0.00 0.00 174.62 173.55 1ckr s ILE 501 N 1.68 5.00 -0.56 1.82 1.01 0.11 -4.95 121.20 125.31 1ckr s ILE 501 Ca 0.05 0.11 -0.27 0.00 0.00 0.00 0.00 60.65 60.54 1ckr s ILE 501 Cb -0.19 -4.03 0.03 0.00 0.01 0.00 0.00 42.46 38.28 1ckr s ILE 501 CO 0.10 -0.35 1.10 0.42 0.00 0.00 0.00 174.94 176.22 1ckr s THR 502 N 2.42 4.15 -1.09 2.92 -4.23 -1.26 -2.17 115.64 116.38 1ckr s THR 502 Ca 0.18 0.71 -0.20 0.00 -1.18 0.00 0.00 61.69 61.20 1ckr s THR 502 Cb -0.16 -4.66 0.08 0.00 1.34 0.00 0.00 72.50 69.11 1ckr s THR 502 CO 0.15 -1.24 1.45 0.21 -0.54 0.00 0.00 174.62 174.64 1ckr s ASN 503 N 2.88 6.67 0.25 3.99 2.47 -1.26 -5.00 114.94 124.93 1ckr s ASN 503 Ca 0.39 -1.97 -0.21 0.00 0.42 0.00 0.00 52.86 51.49 1ckr s ASN 503 Cb -0.09 -2.52 -0.14 0.00 -1.45 0.00 0.00 41.25 37.05 1ckr s ASN 503 CO 0.24 -1.26 0.26 0.47 -3.72 0.00 0.00 177.10 173.08 1ckr n ASP 504 N 7.95 -1.71 -4.54 -4.21 8.00 -1.26 -4.71 116.55 116.08 1ckr n ASP 504 Ca 0.35 0.81 -0.24 0.00 0.71 0.00 0.00 54.79 56.42 1ckr n ASP 504 Cb 0.49 -0.76 -0.09 0.00 -0.02 0.00 0.00 41.12 40.73 1ckr n ASP 504 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ckr n LYS 505 N 0.97 0.57 -2.74 -1.24 5.02 -1.26 -4.47 118.16 115.02 1ckr n LYS 505 Ca 0.12 -0.39 -0.01 0.00 -2.02 0.00 0.00 58.31 56.01 1ckr n LYS 505 Cb 0.27 -3.03 -0.01 0.00 -0.02 0.00 0.00 35.03 32.25 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 6.35 -4.15 2.52 0.72 0.00 -1.26 -5.05 105.19 104.32 1ckr n GLY 506 Ca 0.49 0.58 -0.13 0.00 0.00 0.00 0.00 46.02 46.96 1ckr n GLY 506 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ckr n ARG 506 N 0.87 2.40 0.08 1.61 0.00 -1.26 -4.89 116.66 115.47 1ckr n ARG 506 Ca -0.05 -3.81 0.00 0.00 -0.00 0.00 0.00 57.85 54.00 1ckr n ARG 506 Cb 0.10 -1.82 0.00 0.00 -0.00 0.00 0.00 32.46 30.74 1ckr n ARG 506 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1ckr n LEU 507 N -0.48 -1.41 0.00 2.89 -0.00 -1.26 -5.03 117.00 111.70 1ckr n LEU 507 Ca 0.23 0.42 0.00 0.00 -0.00 0.00 0.00 56.01 56.66 1ckr n LEU 507 Cb 0.82 1.55 0.00 0.00 -0.00 0.00 0.00 43.42 45.79 1ckr n LEU 507 CO 0.25 -0.02 0.00 -0.24 -0.00 0.00 0.00 177.39 177.38 1ckr n SER 508 N -2.74 0.00 -0.29 1.45 2.88 -1.26 -2.34 113.62 111.32 1ckr n SER 508 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 1ckr n SER 508 Cb 0.00 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 63.75 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 0.88 0.32 -1.46 -0.00 -2.02 -2.63 116.57 111.67 1ckr h LYS 509 Ca 0.00 -0.05 -0.02 0.00 -0.00 0.00 0.00 60.65 60.58 1ckr h LYS 509 Cb 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 32.23 32.03 1ckr h LYS 509 CO 0.00 0.59 -0.15 1.05 -0.00 0.00 0.00 179.45 180.93 1ckr h GLU 510 N 0.91 -0.41 -0.18 0.07 9.09 -1.98 -2.70 114.58 119.38 1ckr h GLU 510 Ca 0.42 0.03 -0.22 0.00 0.05 0.00 0.00 59.36 59.64 1ckr h GLU 510 Cb 0.39 0.09 0.01 0.00 -1.65 0.00 0.00 28.75 27.59 1ckr h GLU 510 CO -0.18 -0.17 -0.73 -0.44 0.05 0.00 0.00 179.01 177.54 1ckr h ASP 511 N -1.06 0.95 0.45 3.06 3.32 -1.59 -2.78 116.42 118.77 1ckr h ASP 511 Ca -0.04 -0.61 -0.02 0.00 0.02 0.00 0.00 57.03 56.37 1ckr h ASP 511 Cb 0.43 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1ckr h ASP 511 CO 0.07 1.40 -0.22 0.40 -1.72 0.00 0.00 179.24 179.18 1ckr h ILE 512 N 0.55 0.49 -0.75 0.35 5.03 -1.65 -0.94 117.51 120.59 1ckr h ILE 512 Ca -0.04 -0.40 0.02 0.00 -0.12 0.00 0.00 64.86 64.32 1ckr h ILE 512 Cb 1.36 0.66 -0.04 0.00 -3.03 0.00 0.00 36.82 35.77 1ckr h ILE 512 CO 0.15 0.06 0.49 -0.08 -0.68 0.00 0.00 178.15 178.10 1ckr h GLU 513 N -0.87 0.92 0.11 2.37 4.57 -1.61 -1.89 114.58 118.18 1ckr h GLU 513 Ca -0.06 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1ckr h GLU 513 Cb 0.57 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1ckr h GLU 513 CO 0.10 0.61 -0.05 0.07 -1.18 0.00 0.00 179.01 178.56 1ckr h ARG 514 N 0.95 -0.14 0.00 1.92 0.11 -1.57 -3.38 114.38 112.27 1ckr h ARG 514 Ca 0.29 0.01 -0.05 0.00 0.10 0.00 0.00 59.98 60.32 1ckr h ARG 514 Cb -0.01 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.10 1ckr h ARG 514 CO -0.08 0.31 -0.35 0.52 0.10 0.00 0.00 179.97 180.47 1ckr h MET 515 N -0.65 0.00 0.00 0.08 2.86 -1.10 -3.38 114.93 112.73 1ckr h MET 515 Ca -0.01 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 1ckr h MET 515 Cb 0.51 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1ckr h MET 515 CO 0.02 0.70 -0.32 -0.24 1.06 0.00 0.00 176.91 178.13 1ckr h VAL 516 N -1.00 0.80 -0.69 -2.22 3.04 -1.50 0.35 116.25 115.03 1ckr h VAL 516 Ca -0.08 -1.36 -0.02 0.00 -1.01 0.00 0.00 66.70 64.23 1ckr h VAL 516 Cb 0.82 1.85 -0.03 0.00 -2.01 0.00 0.00 31.29 31.92 1ckr h VAL 516 CO -0.05 0.32 0.37 1.56 -1.01 0.00 0.00 177.57 178.75 1ckr h GLN 517 N 0.00 0.97 0.00 4.17 4.20 -1.74 -2.93 115.11 119.78 1ckr h GLN 517 Ca -0.00 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1ckr h GLN 517 Cb 0.82 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1ckr h GLN 517 CO 0.04 0.74 -0.63 -0.85 -0.67 0.00 0.00 178.83 177.46 1ckr n GLU 518 N -4.49 0.15 0.00 1.46 0.28 -1.18 -4.06 120.64 112.80 1ckr n GLU 518 Ca 0.06 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 1ckr n GLU 518 Cb 0.10 -1.58 0.00 0.00 1.43 0.00 0.00 31.44 31.39 1ckr n GLU 518 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ckr n ALA 519 N -1.67 0.00 -0.32 -1.84 0.00 0.12 -4.23 120.51 112.57 1ckr n ALA 519 Ca 0.04 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.68 1ckr n ALA 519 Cb 0.39 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.25 1ckr n ALA 519 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ckr h GLU 520 N 0.00 0.25 0.00 0.00 4.39 -1.75 0.46 114.58 117.93 1ckr h GLU 520 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1ckr h GLU 520 Cb 0.00 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1ckr h GLU 520 CO 0.00 0.16 0.00 1.17 -1.16 0.00 0.00 179.01 179.18 1ckr n LYS 521 N -5.14 0.00 0.00 2.33 0.00 -1.14 -2.68 118.16 111.53 1ckr n LYS 521 Ca 0.28 0.59 0.00 0.00 0.00 0.00 0.00 58.31 59.18 1ckr n LYS 521 Cb 0.89 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 34.43 1ckr n LYS 521 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1ckr n TYR 522 N -2.16 0.00 0.04 5.64 9.36 0.13 -2.77 117.16 127.40 1ckr n TYR 522 Ca 0.00 -0.08 0.00 0.00 3.32 0.00 0.00 57.90 61.14 1ckr n TYR 522 Cb 0.00 -0.12 0.00 0.00 -0.63 0.00 0.00 39.34 38.59 1ckr n TYR 522 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1ckr n LYS 523 N 0.09 0.00 0.18 2.98 4.81 0.41 -1.61 118.16 125.02 1ckr n LYS 523 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.59 1ckr n LYS 523 Cb 0.29 -0.48 0.75 0.00 0.02 0.00 0.00 35.03 35.60 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 0.00 2.02 0.03 3.14 0.00 -1.61 -1.42 119.26 121.42 1ckr h ALA 524 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1ckr h ALA 524 Cb 0.31 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ckr h ALA 524 CO 0.00 -0.27 -1.02 0.93 0.00 0.00 0.00 179.25 178.89 1ckr h GLU 525 N 0.00 0.41 0.00 0.00 5.08 -1.73 -2.88 114.58 115.46 1ckr h GLU 525 Ca 0.09 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1ckr h GLU 525 Cb 0.43 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1ckr h GLU 525 CO -0.00 1.15 0.26 0.22 -1.00 0.00 0.00 179.01 179.64 1ckr h ASP 526 N 0.21 0.00 -1.91 1.42 1.82 -0.28 -3.45 116.42 114.23 1ckr h ASP 526 Ca -0.10 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 1ckr h ASP 526 Cb 1.67 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.68 1ckr h ASP 526 CO 0.18 0.00 0.00 -0.62 -1.61 0.00 0.00 179.24 177.19 1ckr n GLU 527 N -2.15 0.00 -3.42 0.28 -0.58 -0.91 -4.23 120.64 109.63 1ckr n GLU 527 Ca -0.01 0.18 -0.19 0.00 -0.42 0.00 0.00 57.16 56.73 1ckr n GLU 527 Cb 0.28 -0.95 0.04 0.00 -0.57 0.00 0.00 31.44 30.24 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 -0.77 -1.57 0.00 3.49 4.01 -1.16 -4.82 118.16 117.33 1ckr n LYS 528 Ca 0.00 0.85 0.00 0.00 -0.51 0.00 0.00 58.31 58.65 1ckr n LYS 528 Cb 0.32 -4.84 0.00 0.00 -0.51 0.00 0.00 35.03 29.99 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 -3.19 0.00 -0.16 1.97 0.00 -0.92 -0.17 117.38 114.91 1ckr n GLN 529 Ca -0.09 0.00 0.06 0.00 0.00 0.00 0.00 57.00 56.97 1ckr n GLN 529 Cb 0.59 0.00 0.15 0.00 0.00 0.00 0.00 30.24 30.98 1ckr n GLN 529 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1ckr n ARG 530 N -0.54 2.58 -0.17 2.61 5.12 -1.26 -4.66 116.66 120.34 1ckr n ARG 530 Ca 0.00 -1.97 -0.03 0.00 -1.93 0.00 0.00 57.85 53.92 1ckr n ARG 530 Cb 0.00 -1.28 0.18 0.00 -1.16 0.00 0.00 32.46 30.21 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 2.16 0.85 -1.09 0.55 3.58 -0.68 -3.35 116.42 118.44 1ckr h ASP 531 Ca 0.00 -0.12 -0.62 0.00 0.42 0.00 0.00 57.03 56.71 1ckr h ASP 531 Cb 0.71 -0.22 -0.10 0.00 1.72 0.00 0.00 39.33 41.45 1ckr h ASP 531 CO 0.00 0.76 1.66 -1.59 -2.88 0.00 0.00 179.24 177.19 1ckr s LYS 532 N -5.41 3.69 0.00 0.28 0.00 -1.21 -4.18 119.74 112.91 1ckr s LYS 532 Ca -0.10 -1.37 0.00 0.00 0.00 0.00 0.00 55.97 54.50 1ckr s LYS 532 Cb 0.16 -5.39 0.00 0.00 0.00 0.00 0.00 37.83 32.60 1ckr s LYS 532 CO 0.80 -2.21 0.00 1.55 0.00 0.00 0.00 175.35 175.49 1ckr n VAL 533 N 6.72 0.00 0.21 1.79 3.14 -1.12 -5.01 118.33 124.05 1ckr n VAL 533 Ca 0.37 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.61 1ckr n VAL 533 Cb 0.50 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.20 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 -1.12 -1.33 6.55 0.02 -1.85 -3.42 113.55 112.40 1ckr h SER 534 Ca 0.00 0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1ckr h SER 534 Cb 0.00 0.38 -0.24 0.00 0.14 0.00 0.00 62.40 62.68 1ckr h SER 534 CO 0.00 -0.51 -0.42 -0.44 -1.14 0.00 0.00 176.83 174.32 1ckr s SER 535 N -3.94 -0.73 1.31 3.07 0.01 -1.26 -5.04 113.70 107.11 1ckr s SER 535 Ca -0.14 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.25 1ckr s SER 535 Cb 0.04 1.66 0.00 0.00 0.21 0.00 0.00 66.02 67.92 1ckr s SER 535 CO 0.47 -0.31 0.00 1.17 0.41 0.00 0.00 173.24 174.98 1ckr n LYS 536 N 5.39 0.00 -3.29 12.44 0.00 -1.26 -4.21 118.16 127.23 1ckr n LYS 536 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 58.31 57.96 1ckr n LYS 536 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.51 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 6.56 5.10 -4.40 3.14 3.02 -1.26 -2.80 115.26 124.62 1ckr n ASN 537 Ca 0.00 -3.34 -0.23 0.00 -0.03 0.00 0.00 54.58 50.99 1ckr n ASN 537 Cb 0.00 -1.05 -0.11 0.00 -0.61 0.00 0.00 39.78 38.01 1ckr n ASN 537 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ckr s SER 538 N -1.41 3.09 -0.51 6.41 1.04 -1.26 -0.32 113.70 120.74 1ckr s SER 538 Ca 0.33 -0.95 0.07 0.00 0.48 0.00 0.00 55.95 55.89 1ckr s SER 538 Cb 0.04 -0.22 0.31 0.00 0.10 0.00 0.00 66.02 66.25 1ckr s SER 538 CO 0.01 -0.01 0.78 0.00 0.98 0.00 0.00 173.24 175.00 1ckr n LEU 539 N -0.13 2.75 0.00 2.42 -0.00 -1.26 -4.31 117.00 116.47 1ckr n LEU 539 Ca -0.09 -5.31 0.00 0.00 -0.00 0.00 0.00 56.01 50.61 1ckr n LEU 539 Cb 0.58 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1ckr n LEU 539 CO 0.33 2.23 0.00 -1.84 -0.00 0.00 0.00 177.39 178.11