#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kr6 h VAL 293 N 0.00 0.71 -0.14 3.17 -1.51 -2.05 -0.92 116.25 115.50 2kr6 h VAL 293 Ca 0.00 -0.10 -0.00 0.00 -1.23 0.00 0.00 66.70 65.37 2kr6 h VAL 293 Cb 0.00 0.39 -0.01 0.00 -2.13 0.00 0.00 31.29 29.54 2kr6 h VAL 293 CO 0.00 0.05 0.08 -0.50 -1.23 0.00 0.00 177.57 175.98 2kr6 h TRP 294 N 0.29 0.19 -0.05 5.19 4.06 -2.06 -0.49 115.95 123.10 2kr6 h TRP 294 Ca 0.40 -0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.35 2kr6 h TRP 294 Cb 1.12 -0.06 -0.00 0.00 -1.00 0.00 0.00 29.16 29.22 2kr6 h TRP 294 CO -0.00 0.18 0.02 1.25 -3.56 0.00 0.00 178.44 176.33 2kr6 h LEU 295 N 0.15 0.06 -1.55 -4.49 7.12 -1.63 -2.01 115.31 112.96 2kr6 h LEU 295 Ca 0.05 -0.14 0.06 0.00 0.13 0.00 0.00 57.88 57.99 2kr6 h LEU 295 Cb 0.05 -0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.12 2kr6 h LEU 295 CO -0.01 0.18 0.39 0.58 -0.13 0.00 0.00 178.44 179.45 2kr6 h VAL 296 N -0.06 0.99 -0.30 1.05 2.07 -1.30 0.20 116.25 118.90 2kr6 h VAL 296 Ca 0.02 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 2kr6 h VAL 296 Cb 0.14 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2kr6 h VAL 296 CO -0.00 0.10 -0.09 0.78 0.02 0.00 0.00 177.57 178.38 2kr6 h ASN 297 N 0.55 0.59 0.36 0.57 2.35 -0.74 -2.75 115.58 116.51 2kr6 h ASN 297 Ca 0.25 -0.38 -0.15 0.00 -0.55 0.00 0.00 56.30 55.48 2kr6 h ASN 297 Cb 0.29 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 2kr6 h ASN 297 CO -0.07 0.83 -0.61 0.24 -1.65 0.00 0.00 177.43 176.17 2kr6 h MET 298 N 0.34 0.25 -0.61 0.81 2.86 -0.63 -0.47 114.93 117.48 2kr6 h MET 298 Ca 0.07 -0.17 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2kr6 h MET 298 Cb 0.58 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 2kr6 h MET 298 CO 0.03 0.78 0.40 0.00 1.06 0.00 0.00 176.91 179.18 2kr6 h ALA 299 N 1.18 0.77 -0.44 6.32 0.00 -0.54 -2.68 119.26 123.88 2kr6 h ALA 299 Ca -0.01 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2kr6 h ALA 299 Cb 1.12 -0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.58 2kr6 h ALA 299 CO 0.10 0.19 0.07 -1.91 0.00 0.00 0.00 179.25 177.69 2kr6 n GLU 300 N -4.68 2.49 0.00 0.00 4.07 -1.05 -4.98 120.64 116.50 2kr6 n GLU 300 Ca 0.05 -3.04 0.00 0.00 -0.06 0.00 0.00 57.16 54.10 2kr6 n GLU 300 Cb 0.03 -1.92 0.00 0.00 -0.06 0.00 0.00 31.44 29.49 2kr6 n GLU 300 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kr6 n GLY 301 N -0.80 2.76 2.63 8.31 0.00 -0.19 -5.02 105.19 112.88 2kr6 n GLY 301 Ca 0.33 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.19 2kr6 n GLY 301 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kr6 n ASP 302 N 0.00 1.92 -4.77 1.61 8.00 -1.26 -5.02 116.55 117.03 2kr6 n ASP 302 Ca 0.00 -2.97 -0.37 0.00 0.71 0.00 0.00 54.79 52.16 2kr6 n ASP 302 Cb 0.00 -0.68 -0.01 0.00 -0.02 0.00 0.00 41.12 40.41 2kr6 n ASP 302 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2kr6 s PRO 303 N -1.16 3.72 -0.34 -0.24 0.04 -1.26 -4.96 135.00 130.79 2kr6 s PRO 303 Ca 0.30 1.75 0.07 0.00 0.04 0.00 0.00 61.00 63.17 2kr6 s PRO 303 Cb 0.03 -2.37 0.52 0.00 0.04 0.00 0.00 34.50 32.72 2kr6 s PRO 303 CO -0.15 -0.58 1.53 -0.85 0.04 0.00 0.00 177.00 176.99 2kr6 n GLU 304 N -0.57 2.07 -1.18 4.56 0.00 -1.26 -5.00 120.64 119.27 2kr6 n GLU 304 Ca 0.08 -3.26 0.00 0.00 0.00 0.00 0.00 57.16 53.97 2kr6 n GLU 304 Cb 0.48 -1.93 0.00 0.00 0.00 0.00 0.00 31.44 30.00 2kr6 n GLU 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kr6 n ALA 305 N -1.09 0.00 -1.91 -1.84 0.00 -1.26 -5.13 120.51 109.28 2kr6 n ALA 305 Ca 0.39 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.42 2kr6 n ALA 305 Cb 1.08 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.51 2kr6 n ALA 305 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2kr6 s GLN 306 N -1.07 4.31 0.14 0.00 0.74 -1.26 -4.93 119.66 117.60 2kr6 s GLN 306 Ca 0.00 2.22 -0.08 0.00 0.05 0.00 0.00 55.36 57.54 2kr6 s GLN 306 Cb 0.00 -3.14 -0.05 0.00 1.10 0.00 0.00 33.01 30.93 2kr6 s GLN 306 CO 0.00 -0.35 1.39 -0.09 -0.55 0.00 0.00 175.29 175.69 2kr6 h ARG 307 N 5.09 0.70 -5.98 1.67 2.43 -2.00 -3.48 114.38 112.81 2kr6 h ARG 307 Ca -0.46 -0.51 -0.39 0.00 -0.81 0.00 0.00 59.98 57.81 2kr6 h ARG 307 Cb 1.22 0.09 0.09 0.00 -0.42 0.00 0.00 29.97 30.94 2kr6 h ARG 307 CO 0.77 1.13 -0.84 0.54 -1.51 0.00 0.00 179.97 180.06 2kr6 n ARG 308 N -3.94 -4.29 -0.05 0.20 1.74 -1.26 -4.91 116.66 104.14 2kr6 n ARG 308 Ca -0.05 0.66 -0.05 0.00 -0.77 0.00 0.00 57.85 57.63 2kr6 n ARG 308 Cb 0.68 -5.20 -0.08 0.00 -1.02 0.00 0.00 32.46 26.84 2kr6 n ARG 308 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2kr6 n VAL 309 N -4.11 0.68 -0.29 1.55 3.14 -1.26 -4.51 118.33 113.52 2kr6 n VAL 309 Ca -0.24 -0.41 0.08 0.00 -2.96 0.00 0.00 64.34 60.81 2kr6 n VAL 309 Cb 0.66 -0.75 0.31 0.00 -1.06 0.00 0.00 33.84 33.00 2kr6 n VAL 309 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2kr6 n SER 310 N -2.39 4.13 0.04 6.55 7.64 -1.26 -4.13 113.62 124.20 2kr6 n SER 310 Ca -0.16 -2.35 -0.06 0.00 1.01 0.00 0.00 58.87 57.31 2kr6 n SER 310 Cb 0.82 -0.53 -0.11 0.00 -1.01 0.00 0.00 64.21 63.38 2kr6 n SER 310 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2kr6 h LYS 311 N 3.60 0.00 -5.37 1.43 1.79 -1.98 -3.49 116.57 112.54 2kr6 h LYS 311 Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 2kr6 h LYS 311 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 2kr6 h LYS 311 CO 0.18 0.70 -0.64 0.09 -1.08 0.00 0.00 179.45 178.70 2kr6 n ASN 312 N -3.18 -7.78 -1.06 0.86 3.02 -1.26 -4.95 115.26 100.90 2kr6 n ASN 312 Ca -0.06 0.63 -0.03 0.00 -0.03 0.00 0.00 54.58 55.08 2kr6 n ASN 312 Cb 0.94 -5.06 0.18 0.00 -0.61 0.00 0.00 39.78 35.23 2kr6 n ASN 312 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2kr6 n SER 313 N -0.11 2.59 0.00 6.41 7.64 -1.26 -4.67 113.62 124.22 2kr6 n SER 313 Ca 0.08 -3.84 -0.22 0.00 1.01 0.00 0.00 58.87 55.90 2kr6 n SER 313 Cb 0.41 -0.56 -0.14 0.00 -1.01 0.00 0.00 64.21 62.91 2kr6 n SER 313 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2kr6 h LYS 314 N 1.19 0.24 -2.91 1.43 6.56 -2.02 -3.51 116.57 117.55 2kr6 h LYS 314 Ca 0.15 -0.40 0.32 0.00 -1.06 0.00 0.00 60.65 59.66 2kr6 h LYS 314 Cb 1.33 0.15 -0.12 0.00 -0.57 0.00 0.00 32.23 33.01 2kr6 h LYS 314 CO 0.30 1.19 -0.77 0.66 -2.06 0.00 0.00 179.45 178.77 2kr6 n TYR 315 N -3.85 -3.25 -3.54 -1.35 4.01 -1.26 -5.04 117.16 102.89 2kr6 n TYR 315 Ca -0.27 1.70 -0.14 0.00 -0.16 0.00 0.00 57.90 59.03 2kr6 n TYR 315 Cb 0.93 -2.95 -0.05 0.00 -0.31 0.00 0.00 39.34 36.95 2kr6 n TYR 315 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2kr6 s ASN 316 N -6.92 -0.52 0.37 7.72 3.84 -1.26 -5.18 114.94 113.00 2kr6 s ASN 316 Ca 0.00 0.50 0.08 0.00 0.21 0.00 0.00 52.86 53.65 2kr6 s ASN 316 Cb 0.00 0.44 -0.04 0.00 -0.55 0.00 0.00 41.25 41.10 2kr6 s ASN 316 CO 0.00 -0.52 0.22 0.00 -2.79 0.00 0.00 177.10 174.01 2kr6 s ALA 317 N -1.43 3.68 0.11 1.71 0.00 -1.26 -5.14 121.76 119.43 2kr6 s ALA 317 Ca -0.06 -1.89 -0.26 0.00 0.00 0.00 0.00 51.96 49.76 2kr6 s ALA 317 Cb -0.00 -0.76 0.07 0.00 0.00 0.00 0.00 23.12 22.43 2kr6 s ALA 317 CO 0.04 -0.07 0.91 -1.83 0.00 0.00 0.00 175.76 174.80 2kr6 s GLU 318 N -3.94 1.11 0.13 0.00 -1.05 -1.26 -5.19 118.70 108.51 2kr6 s GLU 318 Ca 0.41 -0.55 -0.25 0.00 -0.15 0.00 0.00 54.97 54.43 2kr6 s GLU 318 Cb -0.01 0.42 0.08 0.00 -0.44 0.00 0.00 34.13 34.17 2kr6 s GLU 318 CO 0.24 -0.50 1.06 -1.12 0.95 0.00 0.00 175.26 175.89 2kr6 s SER 319 N -2.79 -0.07 0.30 0.83 0.01 -1.26 -5.19 113.70 105.54 2kr6 s SER 319 Ca 0.09 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 56.90 2kr6 s SER 319 Cb -0.01 0.43 -0.04 0.00 0.21 0.00 0.00 66.02 66.61 2kr6 s SER 319 CO -0.02 -0.83 0.15 -0.89 0.41 0.00 0.00 173.24 172.07 2kr6 s THR 320 N -2.58 0.36 -0.29 1.44 2.01 -1.26 -5.17 115.64 110.14 2kr6 s THR 320 Ca 0.18 -2.00 -0.26 0.00 0.31 0.00 0.00 61.69 59.92 2kr6 s THR 320 Cb -0.01 -2.52 0.19 0.00 0.01 0.00 0.00 72.50 70.16 2kr6 s THR 320 CO 0.03 0.00 1.39 -0.70 -0.69 0.00 0.00 174.62 174.65 2kr6 s GLU 321 N -3.84 0.10 -0.17 4.92 -6.30 -1.26 -5.18 118.70 106.97 2kr6 s GLU 321 Ca 0.36 0.09 -0.17 0.00 -2.50 0.00 0.00 54.97 52.74 2kr6 s GLU 321 Cb 0.05 0.05 0.05 0.00 0.00 0.00 0.00 34.13 34.28 2kr6 s GLU 321 CO 0.17 -0.02 0.48 -0.98 0.02 0.00 0.00 175.26 174.93 2kr6 s ARG 322 N -0.24 0.58 -0.30 4.30 3.03 -1.26 -5.16 118.95 119.90 2kr6 s ARG 322 Ca 0.07 0.62 -0.19 0.00 2.03 0.00 0.00 55.73 58.26 2kr6 s ARG 322 Cb -0.04 0.28 0.20 0.00 -1.03 0.00 0.00 34.95 34.36 2kr6 s ARG 322 CO -0.13 -0.08 1.31 -2.00 -1.13 0.00 0.00 175.30 173.28 2kr6 s GLU 323 N 0.15 0.06 -0.29 3.89 2.12 -1.26 -5.17 118.70 118.20 2kr6 s GLU 323 Ca -0.01 0.09 -0.15 0.00 0.36 0.00 0.00 54.97 55.27 2kr6 s GLU 323 Cb -0.03 0.02 0.13 0.00 0.26 0.00 0.00 34.13 34.51 2kr6 s GLU 323 CO 0.01 -0.01 0.87 -1.54 -0.54 0.00 0.00 175.26 174.05 2kr6 s SER 324 N 0.70 -0.71 -0.04 -1.70 1.04 -1.26 -5.16 113.70 106.57 2kr6 s SER 324 Ca -0.03 1.07 -0.01 0.00 0.48 0.00 0.00 55.95 57.45 2kr6 s SER 324 Cb -0.03 1.53 0.03 0.00 0.10 0.00 0.00 66.02 67.65 2kr6 s SER 324 CO -0.12 -0.16 0.08 -1.10 0.98 0.00 0.00 173.24 172.92 2kr6 s GLN 325 N 1.92 0.00 -0.15 4.02 -1.52 -1.26 -5.14 119.66 117.53 2kr6 s GLN 325 Ca -0.07 0.29 -0.07 0.00 -1.95 0.00 0.00 55.36 53.56 2kr6 s GLN 325 Cb -0.06 -0.25 0.07 0.00 -0.22 0.00 0.00 33.01 32.55 2kr6 s GLN 325 CO -0.17 -0.19 0.34 -0.51 -0.25 0.00 0.00 175.29 174.51 2kr6 s ASP 326 N 1.27 -0.15 -0.05 5.90 1.11 -1.26 -5.15 116.67 118.34 2kr6 s ASP 326 Ca -0.07 0.76 0.03 0.00 0.18 0.00 0.00 52.55 53.45 2kr6 s ASP 326 Cb -0.12 0.83 0.01 0.00 1.07 0.00 0.00 42.92 44.71 2kr6 s ASP 326 CO -0.04 -0.21 -0.12 0.42 1.18 0.00 0.00 175.17 176.40 2kr6 s THR 327 N 1.98 1.09 0.30 -1.27 -4.23 -1.26 -5.15 115.64 107.10 2kr6 s THR 327 Ca -0.04 -0.49 0.05 0.00 -1.18 0.00 0.00 61.69 60.03 2kr6 s THR 327 Cb -0.11 -0.97 -0.02 0.00 1.34 0.00 0.00 72.50 72.74 2kr6 s THR 327 CO -0.11 0.33 0.43 0.68 -0.54 0.00 0.00 174.62 175.42 2kr6 s VAL 328 N 0.40 4.68 0.24 2.29 -7.23 -1.26 -5.13 120.40 114.39 2kr6 s VAL 328 Ca -0.09 -0.94 -0.17 0.00 -1.81 0.00 0.00 61.98 58.97 2kr6 s VAL 328 Cb -0.13 -3.65 0.02 0.00 0.56 0.00 0.00 36.38 33.18 2kr6 s VAL 328 CO 0.02 -0.27 0.58 0.00 -0.31 0.00 0.00 175.10 175.12 2kr6 s ALA 329 N -2.11 -0.84 -0.12 1.32 0.00 -1.26 -5.18 121.76 113.57 2kr6 s ALA 329 Ca 0.40 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.63 2kr6 s ALA 329 Cb -0.09 0.92 0.09 0.00 0.00 0.00 0.00 23.12 24.04 2kr6 s ALA 329 CO 0.31 -0.90 0.80 -1.83 0.00 0.00 0.00 175.76 174.15 2kr6 s GLU 330 N -3.93 0.86 -0.23 0.00 -1.05 -1.26 -5.18 118.70 107.92 2kr6 s GLU 330 Ca 0.14 0.31 -0.28 0.00 -0.15 0.00 0.00 54.97 54.98 2kr6 s GLU 330 Cb -0.03 0.41 0.15 0.00 -0.44 0.00 0.00 34.13 34.22 2kr6 s GLU 330 CO 0.04 -0.25 1.13 1.21 0.95 0.00 0.00 175.26 178.34 2kr6 s ASN 331 N -0.94 -0.28 -0.30 0.83 3.84 -1.26 -5.17 114.94 111.66 2kr6 s ASN 331 Ca -0.06 0.38 -0.18 0.00 0.21 0.00 0.00 52.86 53.21 2kr6 s ASN 331 Cb -0.01 0.33 0.19 0.00 -0.55 0.00 0.00 41.25 41.21 2kr6 s ASN 331 CO 0.06 -0.20 1.20 1.51 -2.79 0.00 0.00 177.10 176.88 2kr6 s ASP 332 N -0.71 -0.20 0.22 -4.21 1.47 -1.26 -5.09 116.67 106.90 2kr6 s ASP 332 Ca 0.02 0.33 0.00 0.00 1.18 0.00 0.00 52.55 54.08 2kr6 s ASP 332 Cb -0.02 0.91 0.00 0.00 -0.34 0.00 0.00 42.92 43.47 2kr6 s ASP 332 CO -0.04 -0.05 0.00 0.47 0.68 0.00 0.00 175.17 176.23 2kr6 n ASP 333 N 2.95 -0.52 0.00 2.11 9.92 -1.26 -5.13 116.55 124.62 2kr6 n ASP 333 Ca -0.16 0.39 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 2kr6 n ASP 333 Cb 0.57 0.65 0.00 0.00 -0.64 0.00 0.00 41.12 41.70 2kr6 n ASP 333 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kr6 n GLY 334 N 1.10 2.10 0.00 0.44 0.00 -1.26 -4.99 105.19 102.57 2kr6 n GLY 334 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2kr6 n GLY 334 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kr6 n GLY 335 N 0.00 1.48 3.65 -0.02 0.00 -1.26 -5.16 105.19 103.88 2kr6 n GLY 335 Ca 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 46.02 44.82 2kr6 n GLY 335 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2kr6 s PHE 336 N 0.00 -0.09 0.21 1.61 2.19 -1.26 -5.18 117.98 115.46 2kr6 s PHE 336 Ca 0.00 0.22 0.10 0.00 0.33 0.00 0.00 56.93 57.59 2kr6 s PHE 336 Cb 0.00 0.46 -0.04 0.00 -1.31 0.00 0.00 43.02 42.12 2kr6 s PHE 336 CO 0.00 -0.04 -0.15 -1.54 1.83 0.00 0.00 175.22 175.32 2kr6 s SER 337 N 0.08 3.92 -0.29 6.13 1.04 -1.26 -5.13 113.70 118.19 2kr6 s SER 337 Ca 0.06 -0.76 -0.16 0.00 0.48 0.00 0.00 55.95 55.57 2kr6 s SER 337 Cb -0.05 -0.52 0.17 0.00 0.10 0.00 0.00 66.02 65.72 2kr6 s SER 337 CO -0.15 0.08 1.07 -0.70 0.98 0.00 0.00 173.24 174.53 2kr6 s GLU 338 N -3.02 0.26 0.20 4.02 2.12 -1.26 -5.18 118.70 115.84 2kr6 s GLU 338 Ca 0.25 0.47 0.06 0.00 0.36 0.00 0.00 54.97 56.12 2kr6 s GLU 338 Cb -0.07 0.09 -0.05 0.00 0.26 0.00 0.00 34.13 34.36 2kr6 s GLU 338 CO 0.14 -0.06 -0.11 -1.21 -0.54 0.00 0.00 175.26 173.48 2kr6 s GLU 339 N 1.38 1.27 0.30 4.30 2.02 -1.26 -5.16 118.70 121.55 2kr6 s GLU 339 Ca -0.08 -1.57 -0.20 0.00 0.02 0.00 0.00 54.97 53.14 2kr6 s GLU 339 Cb -0.03 -0.93 0.04 0.00 0.10 0.00 0.00 34.13 33.31 2kr6 s GLU 339 CO -0.14 0.11 0.78 1.67 0.02 0.00 0.00 175.26 177.71 2kr6 s TRP 340 N -3.12 -0.07 0.26 1.61 -2.14 -1.26 -5.05 118.94 109.16 2kr6 s TRP 340 Ca 0.22 -0.44 0.00 0.00 2.66 0.00 0.00 56.10 58.53 2kr6 s TRP 340 Cb 0.01 0.75 0.00 0.00 -3.10 0.00 0.00 33.47 31.13 2kr6 s TRP 340 CO 0.06 -1.30 0.00 -1.91 -2.66 0.00 0.00 176.95 171.14 2kr6 n GLU 341 N -0.50 0.00 0.13 3.25 2.13 -1.26 -4.97 120.64 119.43 2kr6 n GLU 341 Ca -0.06 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.70 2kr6 n GLU 341 Cb 0.59 -0.06 -0.03 0.00 0.27 0.00 0.00 31.44 32.21 2kr6 n GLU 341 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kr6 h ALA 342 N 0.00 -0.43 -2.38 4.31 0.00 -1.98 -3.42 119.26 115.36 2kr6 h ALA 342 Ca 0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 2kr6 h ALA 342 Cb 0.01 0.16 -0.15 0.00 0.00 0.00 0.00 17.79 17.81 2kr6 h ALA 342 CO 0.00 -0.40 -0.64 -0.65 0.00 0.00 0.00 179.25 177.57 2kr6 s GLN 343 N -2.90 0.84 0.07 0.00 -1.52 -1.26 -4.83 119.66 110.06 2kr6 s GLN 343 Ca -0.06 -1.35 -0.26 0.00 -1.95 0.00 0.00 55.36 51.74 2kr6 s GLN 343 Cb 0.01 0.24 -0.12 0.00 -0.22 0.00 0.00 33.01 32.92 2kr6 s GLN 343 CO 0.18 -0.22 1.41 -0.09 -0.25 0.00 0.00 175.29 176.32 2kr6 h ARG 344 N 2.93 -0.62 -3.98 2.91 2.43 -1.95 -3.35 114.38 112.76 2kr6 h ARG 344 Ca -0.35 0.04 -0.73 0.00 -0.81 0.00 0.00 59.98 58.14 2kr6 h ARG 344 Cb 1.18 0.14 -0.31 0.00 -0.42 0.00 0.00 29.97 30.57 2kr6 h ARG 344 CO 0.61 -0.41 -0.28 -0.51 -1.51 0.00 0.00 179.97 177.86 2kr6 s ASP 345 N -3.95 5.77 0.31 -3.80 1.11 -1.26 -4.85 116.67 110.00 2kr6 s ASP 345 Ca -0.13 -2.39 -0.14 0.00 0.18 0.00 0.00 52.55 50.08 2kr6 s ASP 345 Cb 0.04 -2.00 0.02 0.00 1.07 0.00 0.00 42.92 42.05 2kr6 s ASP 345 CO 0.44 -0.56 0.61 -0.44 1.18 0.00 0.00 175.17 176.41 2kr6 s SER 346 N 1.91 0.07 -0.14 0.27 0.01 -1.26 -5.16 113.70 109.40 2kr6 s SER 346 Ca 0.12 -1.00 -0.00 0.00 1.31 0.00 0.00 55.95 56.38 2kr6 s SER 346 Cb -0.21 0.70 0.03 0.00 0.21 0.00 0.00 66.02 66.75 2kr6 s SER 346 CO -0.03 -1.36 -0.09 -1.00 0.41 0.00 0.00 173.24 171.17 2kr6 s HIS 347 N -3.40 1.77 -0.26 2.43 3.76 -1.26 -5.02 115.29 113.30 2kr6 s HIS 347 Ca 0.19 -0.99 -0.27 0.00 -0.15 0.00 0.00 55.06 53.85 2kr6 s HIS 347 Cb -0.03 -1.37 0.15 0.00 1.11 0.00 0.00 32.58 32.44 2kr6 s HIS 347 CO 0.11 -0.59 1.18 -1.17 -0.85 0.00 0.00 174.74 173.42 2kr6 s LEU 348 N 1.61 -0.27 0.00 0.89 2.96 -1.26 -5.15 118.68 117.47 2kr6 s LEU 348 Ca 0.04 0.44 0.00 0.00 -0.22 0.00 0.00 54.13 54.39 2kr6 s LEU 348 Cb -0.13 1.56 0.00 0.00 0.50 0.00 0.00 46.19 48.11 2kr6 s LEU 348 CO -0.09 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.41 2kr6 n GLY 349 N 1.49 -0.06 3.69 7.98 0.00 -1.26 -5.02 105.19 112.00 2kr6 n GLY 349 Ca -0.10 0.66 -0.29 0.00 0.00 0.00 0.00 46.02 46.29 2kr6 n GLY 349 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kr6 s PRO 350 N 0.00 0.61 -0.17 1.61 0.04 -1.26 -5.00 135.00 130.83 2kr6 s PRO 350 Ca 0.00 0.59 0.14 0.00 0.04 0.00 0.00 61.00 61.77 2kr6 s PRO 350 Cb 0.00 -1.75 0.38 0.00 0.04 0.00 0.00 34.50 33.17 2kr6 s PRO 350 CO 0.00 -2.63 1.20 1.58 0.04 0.00 0.00 177.00 177.19 2kr6 n HIS 351 N -4.11 0.00 -4.54 0.56 -0.00 -1.26 -5.05 115.22 100.82 2kr6 n HIS 351 Ca 0.06 -1.27 -0.25 0.00 0.46 0.00 0.00 57.72 56.72 2kr6 n HIS 351 Cb 0.57 -0.22 -0.11 0.00 -0.12 0.00 0.00 29.99 30.11 2kr6 n HIS 351 CO 0.00 0.00 0.00 0.50 0.46 0.00 0.00 176.34 177.30 2kr6 s ARG 352 N -2.78 1.81 -0.07 1.57 6.06 -1.26 -5.16 118.95 119.12 2kr6 s ARG 352 Ca 0.35 -2.01 -0.11 0.00 -2.50 0.00 0.00 55.73 51.46 2kr6 s ARG 352 Cb 0.34 -1.33 0.02 0.00 0.06 0.00 0.00 34.95 34.05 2kr6 s ARG 352 CO -0.06 -0.08 0.28 -1.12 -2.50 0.00 0.00 175.30 171.82 2kr6 s SER 353 N -3.61 -0.23 0.26 -2.12 0.01 -1.26 -5.17 113.70 101.58 2kr6 s SER 353 Ca 0.35 0.35 0.11 0.00 1.31 0.00 0.00 55.95 58.07 2kr6 s SER 353 Cb 0.09 0.47 -0.05 0.00 0.21 0.00 0.00 66.02 66.74 2kr6 s SER 353 CO 0.17 -0.24 -0.19 0.42 0.41 0.00 0.00 173.24 173.81 2kr6 s THR 354 N -0.48 2.32 -1.13 1.44 -4.23 -1.26 -5.05 115.64 107.26 2kr6 s THR 354 Ca -0.06 -2.35 -0.23 0.00 -1.18 0.00 0.00 61.69 57.87 2kr6 s THR 354 Cb -0.04 -2.24 -0.10 0.00 1.34 0.00 0.00 72.50 71.47 2kr6 s THR 354 CO 0.02 -0.43 1.93 -0.81 -0.54 0.00 0.00 174.62 174.79 2kr6 n PRO 355 N -0.53 1.59 0.18 3.99 -0.04 -1.26 -4.69 135.00 134.24 2kr6 n PRO 355 Ca -0.06 -2.39 0.05 0.00 -0.04 0.00 0.00 63.50 61.06 2kr6 n PRO 355 Cb 0.60 -3.63 0.33 0.00 -0.04 0.00 0.00 33.50 30.76 2kr6 n PRO 355 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2kr6 h GLU 356 N 9.47 0.00 0.22 0.54 5.08 -1.97 -1.40 114.58 126.52 2kr6 h GLU 356 Ca 0.24 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2kr6 h GLU 356 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2kr6 h GLU 356 CO 1.32 0.39 -0.11 0.77 -1.00 0.00 0.00 179.01 180.39 2kr6 h SER 357 N 0.00 -0.25 0.55 1.42 0.02 -1.99 0.23 113.55 113.53 2kr6 h SER 357 Ca -0.00 -0.15 -0.16 0.00 -0.84 0.00 0.00 61.79 60.64 2kr6 h SER 357 Cb 0.90 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 2kr6 h SER 357 CO 0.05 0.00 -0.73 0.03 -1.14 0.00 0.00 176.83 175.04 2kr6 h ARG 358 N -0.51 0.14 -0.21 3.45 3.08 -1.96 -2.41 114.38 115.96 2kr6 h ARG 358 Ca -0.03 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.82 2kr6 h ARG 358 Cb 0.38 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 2kr6 h ARG 358 CO 0.05 0.81 -0.16 0.00 -1.07 0.00 0.00 179.97 179.60 2kr6 h ALA 359 N 1.15 0.30 0.00 0.04 0.00 -1.20 -0.50 119.26 119.05 2kr6 h ALA 359 Ca -0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2kr6 h ALA 359 Cb 1.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2kr6 h ALA 359 CO 0.11 0.20 -0.00 0.00 0.00 0.00 0.00 179.25 179.55 2kr6 h ALA 360 N 0.67 -0.01 -0.38 0.00 0.00 -0.56 0.21 119.26 119.20 2kr6 h ALA 360 Ca 0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2kr6 h ALA 360 Cb 0.69 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2kr6 h ALA 360 CO 0.04 -0.35 0.22 0.28 0.00 0.00 0.00 179.25 179.44 2kr6 h VAL 361 N -0.30 1.13 0.29 0.00 2.07 -1.49 0.24 116.25 118.19 2kr6 h VAL 361 Ca -0.00 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2kr6 h VAL 361 Cb 0.30 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2kr6 h VAL 361 CO 0.00 0.13 -0.14 -0.61 0.02 0.00 0.00 177.57 176.97 2kr6 h GLN 362 N 0.49 -0.38 -0.57 1.57 -0.00 -1.08 0.19 115.11 115.33 2kr6 h GLN 362 Ca 0.13 0.03 0.05 0.00 -0.00 0.00 0.00 58.65 58.86 2kr6 h GLN 362 Cb 0.02 0.09 -0.05 0.00 0.00 0.00 0.00 27.48 27.54 2kr6 h GLN 362 CO -0.02 -0.08 0.30 1.49 0.00 0.00 0.00 178.83 180.52 2kr6 h GLU 363 N -0.70 0.55 -0.18 1.69 4.81 -0.54 -1.17 114.58 119.04 2kr6 h GLU 363 Ca -0.04 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2kr6 h GLU 363 Cb 0.48 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2kr6 h GLU 363 CO 0.07 0.37 0.01 1.25 -0.73 0.00 0.00 179.01 179.97 2kr6 h LEU 364 N 0.57 0.31 -0.97 1.64 6.46 -0.52 -1.86 115.31 120.95 2kr6 h LEU 364 Ca 0.25 -0.30 0.12 0.00 -0.12 0.00 0.00 57.88 57.83 2kr6 h LEU 364 Cb 0.15 -0.08 -0.08 0.00 -0.73 0.00 0.00 40.66 39.91 2kr6 h LEU 364 CO -0.17 0.53 0.60 -1.28 -0.62 0.00 0.00 178.44 177.51 2kr6 h SER 365 N 0.07 0.87 0.28 1.25 0.87 -0.25 -0.83 113.55 115.80 2kr6 h SER 365 Ca 0.05 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2kr6 h SER 365 Cb 0.37 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2kr6 h SER 365 CO 0.01 0.46 -0.13 -1.28 -0.53 0.00 0.00 176.83 175.35 2kr6 h SER 366 N 0.94 -0.31 -0.88 6.23 0.87 -1.08 0.25 113.55 119.56 2kr6 h SER 366 Ca 0.48 -0.21 0.21 0.00 -1.23 0.00 0.00 61.79 61.04 2kr6 h SER 366 Cb 0.49 0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.47 2kr6 h SER 366 CO -0.27 0.08 0.59 0.77 -0.53 0.00 0.00 176.83 177.47 2kr6 h SER 367 N -0.76 0.33 1.04 6.23 4.64 -0.94 0.35 113.55 124.44 2kr6 h SER 367 Ca -0.04 0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 2kr6 h SER 367 Cb 0.50 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 2kr6 h SER 367 CO 0.06 0.13 -1.02 0.40 -0.87 0.00 0.00 176.83 175.54 2kr6 h ILE 368 N 0.33 0.56 -0.41 0.95 1.08 -1.07 -3.28 117.51 115.68 2kr6 h ILE 368 Ca 0.45 -1.95 0.00 0.00 -0.39 0.00 0.00 64.86 62.98 2kr6 h ILE 368 Cb 1.24 2.11 0.00 0.00 -3.07 0.00 0.00 36.82 37.10 2kr6 h ILE 368 CO -0.14 0.32 0.00 -0.11 -0.69 0.00 0.00 178.15 177.53 2kr6 n LEU 369 N -2.99 2.97 -3.03 1.44 7.94 0.85 -4.90 117.00 119.28 2kr6 n LEU 369 Ca -0.04 -1.49 -0.17 0.00 -1.11 0.00 0.00 56.01 53.19 2kr6 n LEU 369 Cb 0.77 -0.42 0.07 0.00 0.53 0.00 0.00 43.42 44.36 2kr6 n LEU 369 CO 0.42 0.55 0.15 0.00 -1.11 0.00 0.00 177.39 177.39 2kr6 n ALA 370 N 0.63 -1.36 -1.85 1.96 0.00 -0.20 -4.98 120.51 114.71 2kr6 n ALA 370 Ca 0.16 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2kr6 n ALA 370 Cb 0.55 -3.43 0.00 0.00 0.00 0.00 0.00 19.45 16.58 2kr6 n ALA 370 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kr6 n GLY 371 N -1.44 0.67 3.11 0.00 0.00 0.86 -5.01 105.19 103.38 2kr6 n GLY 371 Ca -0.11 -0.13 0.02 0.00 0.00 0.00 0.00 46.02 45.80 2kr6 n GLY 371 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kr6 s GLU 372 N 3.46 0.54 0.25 1.61 2.02 -1.26 -4.90 118.70 120.41 2kr6 s GLU 372 Ca 0.00 0.76 0.10 0.00 0.02 0.00 0.00 54.97 55.85 2kr6 s GLU 372 Cb 0.00 0.31 -0.05 0.00 0.10 0.00 0.00 34.13 34.49 2kr6 s GLU 372 CO 0.00 -0.79 -0.16 -0.51 0.02 0.00 0.00 175.26 173.82 2kr6 s ASP 373 N 2.80 3.11 1.05 -0.19 1.11 -1.26 -5.00 116.67 118.29 2kr6 s ASP 373 Ca 0.16 -1.04 -0.04 0.00 0.18 0.00 0.00 52.55 51.80 2kr6 s ASP 373 Cb -0.13 -0.22 0.06 0.00 1.07 0.00 0.00 42.92 43.70 2kr6 s ASP 373 CO -0.23 -0.08 0.22 -0.81 1.18 0.00 0.00 175.17 175.45 2kr6 n PRO 374 N -0.52 -1.47 -0.26 8.23 -0.04 -1.26 -4.99 135.00 134.70 2kr6 n PRO 374 Ca -0.06 -0.36 0.08 0.00 -0.04 0.00 0.00 63.50 63.12 2kr6 n PRO 374 Cb 0.61 -0.34 0.19 0.00 -0.04 0.00 0.00 33.50 33.92 2kr6 n PRO 374 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kr6 n GLU 375 N -2.20 2.38 0.00 0.54 1.02 -1.26 -4.78 120.64 116.34 2kr6 n GLU 375 Ca 0.03 -2.56 0.00 0.00 -0.02 0.00 0.00 57.16 54.61 2kr6 n GLU 375 Cb 0.12 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 2kr6 n GLU 375 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2kr6 n GLU 376 N -0.71 0.00 0.00 3.49 -0.58 -1.26 -4.62 120.64 116.96 2kr6 n GLU 376 Ca 0.17 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.39 2kr6 n GLU 376 Cb 0.71 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.29 2kr6 n GLU 376 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2kr6 n ARG 377 N -1.66 0.00 -0.65 3.49 5.12 -1.26 -5.02 116.66 116.68 2kr6 n ARG 377 Ca 0.00 0.09 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 2kr6 n ARG 377 Cb 0.00 -0.52 0.00 0.00 -1.16 0.00 0.00 32.46 30.78 2kr6 n ARG 377 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kr6 n GLY 378 N 1.77 2.08 1.42 -0.13 0.00 -1.26 -4.95 105.19 104.11 2kr6 n GLY 378 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2kr6 n GLY 378 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kr6 n VAL 379 N 0.00 0.00 -2.33 1.61 0.24 -1.26 -4.86 118.33 111.73 2kr6 n VAL 379 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.27 2kr6 n VAL 379 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 2kr6 n VAL 379 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2kr6 n LYS 380 N -2.37 -4.37 -2.09 7.34 4.81 -1.26 -4.57 118.16 115.65 2kr6 n LYS 380 Ca 0.00 3.28 -0.02 0.00 -0.87 0.00 0.00 58.31 60.70 2kr6 n LYS 380 Cb 0.00 -4.44 0.03 0.00 0.02 0.00 0.00 35.03 30.64 2kr6 n LYS 380 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 2kr6 n LEU 381 N 1.57 -0.68 0.00 3.14 -0.00 -1.26 -4.25 117.00 115.52 2kr6 n LEU 381 Ca -0.19 -1.79 0.00 0.00 -0.00 0.00 0.00 56.01 54.03 2kr6 n LEU 381 Cb 0.30 0.72 0.00 0.00 -0.00 0.00 0.00 43.42 44.44 2kr6 n LEU 381 CO 0.18 1.23 0.00 0.61 -0.00 0.00 0.00 177.39 179.41 2kr6 n GLY 382 N -0.49 0.94 0.31 1.47 0.00 -1.26 -4.54 105.19 101.62 2kr6 n GLY 382 Ca -0.11 0.45 0.19 0.00 0.00 0.00 0.00 46.02 46.56 2kr6 n GLY 382 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2kr6 h LEU 383 N 0.00 0.00 0.00 0.99 -0.00 -1.99 0.49 115.31 114.80 2kr6 h LEU 383 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.88 57.60 2kr6 h LEU 383 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.62 2kr6 h LEU 383 CO 0.00 0.00 -1.98 0.61 -0.00 0.00 0.00 178.44 177.07 2kr6 n GLY 384 N -1.14 -0.26 0.04 0.17 0.00 -1.26 -4.32 105.19 98.41 2kr6 n GLY 384 Ca -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 2kr6 n GLY 384 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kr6 h ASP 385 N -0.37 -0.04 -0.31 1.61 3.32 -1.87 -3.02 116.42 115.74 2kr6 h ASP 385 Ca -0.42 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.70 2kr6 h ASP 385 Cb 1.47 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.96 2kr6 h ASP 385 CO -0.19 0.16 -0.19 0.15 -1.72 0.00 0.00 179.24 177.46 2kr6 h PHE 386 N -0.42 -0.49 -0.58 4.55 3.57 -1.22 -1.56 116.94 120.80 2kr6 h PHE 386 Ca -0.00 0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.65 2kr6 h PHE 386 Cb 0.03 0.26 -0.09 0.00 2.79 0.00 0.00 35.95 38.94 2kr6 h PHE 386 CO 0.01 -0.27 0.04 0.82 -2.23 0.00 0.00 178.31 176.68 2kr6 h ILE 387 N -0.15 0.57 0.13 1.41 1.08 -1.28 0.32 117.51 119.58 2kr6 h ILE 387 Ca 0.16 -0.05 -0.00 0.00 -0.39 0.00 0.00 64.86 64.58 2kr6 h ILE 387 Cb 0.40 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 2kr6 h ILE 387 CO -0.41 0.03 -0.15 0.15 -0.69 0.00 0.00 178.15 177.08 2kr6 h PHE 388 N 0.15 -0.42 -0.62 1.37 3.57 -1.16 0.31 116.94 120.13 2kr6 h PHE 388 Ca 0.30 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.97 2kr6 h PHE 388 Cb 0.47 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 2kr6 h PHE 388 CO -0.32 -0.20 0.44 1.88 -2.23 0.00 0.00 178.31 177.89 2kr6 h TYR 389 N -0.29 0.08 0.00 0.41 0.05 -1.18 0.26 116.97 116.30 2kr6 h TYR 389 Ca -0.02 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.64 2kr6 h TYR 389 Cb 0.25 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 2kr6 h TYR 389 CO -0.16 0.03 -0.60 1.03 -1.05 0.00 0.00 178.16 177.41 2kr6 h SER 390 N 0.07 0.00 0.10 3.88 0.87 0.28 -0.65 113.55 118.11 2kr6 h SER 390 Ca 0.30 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2kr6 h SER 390 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2kr6 h SER 390 CO -0.02 0.60 -0.05 0.58 -0.53 0.00 0.00 176.83 177.41 2kr6 h VAL 391 N 0.00 1.12 0.11 2.23 2.07 0.32 0.26 116.25 122.36 2kr6 h VAL 391 Ca -0.01 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 2kr6 h VAL 391 Cb 1.10 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 2kr6 h VAL 391 CO 0.08 0.23 -0.05 0.25 0.02 0.00 0.00 177.57 178.09 2kr6 h LEU 392 N -0.60 -0.13 0.60 2.57 6.46 -1.52 -2.08 115.31 120.62 2kr6 h LEU 392 Ca -0.01 -0.40 -0.03 0.00 -0.12 0.00 0.00 57.88 57.32 2kr6 h LEU 392 Cb 0.48 0.03 0.01 0.00 -0.73 0.00 0.00 40.66 40.45 2kr6 h LEU 392 CO 0.02 0.37 -0.29 0.58 -0.62 0.00 0.00 178.44 178.50 2kr6 h VAL 393 N -0.67 0.31 -0.71 1.05 2.07 -1.24 -1.09 116.25 115.97 2kr6 h VAL 393 Ca -0.02 -0.27 0.14 0.00 0.82 0.00 0.00 66.70 67.38 2kr6 h VAL 393 Cb 0.52 0.39 -0.10 0.00 -1.52 0.00 0.00 31.29 30.58 2kr6 h VAL 393 CO 0.03 0.03 0.22 1.23 0.02 0.00 0.00 177.57 179.09 2kr6 h GLY 394 N -1.01 1.00 2.00 2.17 0.00 -0.61 0.25 103.07 106.88 2kr6 h GLY 394 Ca -0.08 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 2kr6 h GLY 394 CO 0.14 -0.13 -0.26 1.70 0.00 0.00 0.00 176.54 177.98 2kr6 h LYS 395 N 0.34 0.00 0.00 4.80 3.64 -1.34 -2.45 116.57 121.55 2kr6 h LYS 395 Ca 0.39 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.63 2kr6 h LYS 395 Cb 0.61 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 2kr6 h LYS 395 CO -0.43 0.26 -0.66 0.00 -2.27 0.00 0.00 179.45 176.34 2kr6 h ALA 396 N 1.74 0.66 -0.01 5.00 0.00 0.75 0.45 119.26 127.85 2kr6 h ALA 396 Ca -0.00 -0.60 -0.19 0.00 0.00 0.00 0.00 54.91 54.12 2kr6 h ALA 396 Cb 0.59 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.29 2kr6 h ALA 396 CO 0.03 0.83 -0.72 1.03 0.00 0.00 0.00 179.25 180.42 2kr6 h SER 397 N 0.00 0.66 0.00 0.00 0.87 -0.56 -2.47 113.55 112.04 2kr6 h SER 397 Ca -0.01 -0.74 0.00 0.00 -1.23 0.00 0.00 61.79 59.81 2kr6 h SER 397 Cb 1.39 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2kr6 h SER 397 CO 0.09 1.31 -0.36 0.00 -0.53 0.00 0.00 176.83 177.34 2kr6 h ALA 398 N 0.36 0.00 -0.01 6.23 0.00 -1.54 -3.42 119.26 120.88 2kr6 h ALA 398 Ca -0.09 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2kr6 h ALA 398 Cb 1.41 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2kr6 h ALA 398 CO 0.14 0.36 -0.03 1.15 0.00 0.00 0.00 179.25 180.87 2kr6 h THR 399 N -0.80 1.51 -4.29 0.00 2.02 -0.91 -3.49 112.91 106.95 2kr6 h THR 399 Ca 0.00 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.64 2kr6 h THR 399 Cb 0.36 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 2kr6 h THR 399 CO 0.00 0.41 -0.07 0.00 0.37 0.00 0.00 175.52 176.23 2kr6 n ALA 400 N -2.44 -2.29 0.00 6.16 0.00 0.13 -4.95 120.51 117.13 2kr6 n ALA 400 Ca -0.09 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2kr6 n ALA 400 Cb 0.34 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2kr6 n ALA 400 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2kr6 n SER 401 N -1.17 0.27 -3.05 0.00 7.64 -1.26 -4.99 113.62 111.06 2kr6 n SER 401 Ca 0.02 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.81 2kr6 n SER 401 Cb 0.44 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.65 2kr6 n SER 401 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kr6 n GLY 402 N 2.56 -1.54 3.50 0.23 0.00 -1.26 -5.02 105.19 103.66 2kr6 n GLY 402 Ca 0.00 0.57 -0.24 0.00 0.00 0.00 0.00 46.02 46.36 2kr6 n GLY 402 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kr6 s ASP 403 N -1.55 3.78 0.02 1.61 1.01 -1.26 -5.07 116.67 115.21 2kr6 s ASP 403 Ca 0.11 -0.94 -0.07 0.00 0.71 0.00 0.00 52.55 52.36 2kr6 s ASP 403 Cb -0.02 -0.41 -0.03 0.00 1.01 0.00 0.00 42.92 43.47 2kr6 s ASP 403 CO 0.54 0.04 1.11 -0.50 0.21 0.00 0.00 175.17 176.57 2kr6 h TRP 404 N 2.24 -0.31 0.00 4.23 4.06 -2.01 -3.40 115.95 120.76 2kr6 h TRP 404 Ca -0.41 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.55 2kr6 h TRP 404 Cb 1.25 0.13 0.00 0.00 -1.00 0.00 0.00 29.16 29.55 2kr6 h TRP 404 CO 0.78 -0.12 -0.21 0.27 -3.56 0.00 0.00 178.44 175.59 2kr6 n ASN 405 N -3.05 0.00 0.02 -3.49 0.23 -1.26 -4.71 115.26 103.00 2kr6 n ASN 405 Ca -0.02 -1.42 -0.01 0.00 -0.53 0.00 0.00 54.58 52.60 2kr6 n ASN 405 Cb 0.08 -0.08 -0.01 0.00 -2.08 0.00 0.00 39.78 37.69 2kr6 n ASN 405 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2kr6 h THR 406 N 4.94 0.00 0.00 5.53 2.02 -1.97 -3.28 112.91 120.16 2kr6 h THR 406 Ca 0.00 -0.40 -0.13 0.00 0.77 0.00 0.00 66.41 66.65 2kr6 h THR 406 Cb 1.17 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 2kr6 h THR 406 CO 0.00 0.00 -0.72 0.71 0.37 0.00 0.00 175.52 175.88 2kr6 h THR 407 N -0.49 1.08 -0.44 3.16 1.35 -1.92 -2.88 112.91 112.76 2kr6 h THR 407 Ca -0.01 -2.07 0.09 0.00 -0.55 0.00 0.00 66.41 63.87 2kr6 h THR 407 Cb 0.07 2.30 -0.09 0.00 -1.73 0.00 0.00 68.15 68.70 2kr6 h THR 407 CO 0.02 0.37 -0.16 -0.29 -0.25 0.00 0.00 175.52 175.20 2kr6 h ILE 408 N -1.00 0.46 -0.11 6.82 2.10 -1.82 -0.36 117.51 123.60 2kr6 h ILE 408 Ca -0.19 0.00 -0.12 0.00 1.08 0.00 0.00 64.86 65.63 2kr6 h ILE 408 Cb 1.07 0.46 -0.01 0.00 -1.09 0.00 0.00 36.82 37.25 2kr6 h ILE 408 CO -0.11 0.00 -0.45 0.00 -1.08 0.00 0.00 178.15 176.50 2kr6 h ALA 409 N 1.30 1.03 0.03 0.18 0.00 -1.74 -2.55 119.26 117.51 2kr6 h ALA 409 Ca 0.21 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 54.71 2kr6 h ALA 409 Cb 0.39 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2kr6 h ALA 409 CO -0.49 0.62 -0.39 0.00 0.00 0.00 0.00 179.25 178.99 2kr6 h PHE 411 N -0.57 0.99 -0.09 0.00 -1.00 -1.44 -2.79 116.94 112.05 2kr6 h PHE 411 Ca 0.04 -0.21 0.04 0.00 2.81 0.00 0.00 57.97 60.65 2kr6 h PHE 411 Cb 0.64 -0.24 -0.05 0.00 3.61 0.00 0.00 35.95 39.91 2kr6 h PHE 411 CO -0.39 0.97 -0.18 0.28 -1.61 0.00 0.00 178.31 177.39 2kr6 h VAL 412 N 0.73 0.54 -0.07 -0.55 2.07 -1.02 0.31 116.25 118.27 2kr6 h VAL 412 Ca 0.12 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.67 2kr6 h VAL 412 Cb 0.65 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2kr6 h VAL 412 CO 0.04 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.52 2kr6 h ALA 413 N 0.73 -0.07 -0.32 1.67 0.00 -0.58 0.14 119.26 120.84 2kr6 h ALA 413 Ca 0.08 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2kr6 h ALA 413 Cb 0.37 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2kr6 h ALA 413 CO -0.23 -0.58 0.14 0.82 0.00 0.00 0.00 179.25 179.39 2kr6 h ILE 414 N -0.16 1.12 -0.19 0.00 1.08 -1.19 -2.18 117.51 115.99 2kr6 h ILE 414 Ca 0.07 -0.36 -0.18 0.00 -0.39 0.00 0.00 64.86 64.00 2kr6 h ILE 414 Cb 0.25 0.73 -0.00 0.00 -3.07 0.00 0.00 36.82 34.73 2kr6 h ILE 414 CO -0.16 0.14 -0.60 0.25 -0.69 0.00 0.00 178.15 177.09 2kr6 h LEU 415 N 0.44 0.73 0.52 1.44 7.12 0.49 -2.55 115.31 123.49 2kr6 h LEU 415 Ca 0.11 -0.41 -0.02 0.00 0.13 0.00 0.00 57.88 57.69 2kr6 h LEU 415 Cb 0.07 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 39.99 2kr6 h LEU 415 CO -0.01 1.16 -0.28 0.40 -0.13 0.00 0.00 178.44 179.58 2kr6 h ILE 416 N 0.48 0.43 0.10 4.05 2.04 -0.13 0.33 117.51 124.82 2kr6 h ILE 416 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2kr6 h ILE 416 Cb 1.17 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2kr6 h ILE 416 CO 0.12 0.00 -0.07 1.23 0.00 0.00 0.00 178.15 179.43 2kr6 h GLY 417 N -0.74 -0.17 1.76 5.37 0.00 -1.55 -2.40 103.07 105.34 2kr6 h GLY 417 Ca -0.07 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2kr6 h GLY 417 CO 0.10 -0.08 0.06 1.41 0.00 0.00 0.00 176.54 178.03 2kr6 h LEU 418 N -0.18 0.28 -0.39 3.11 -0.00 -1.43 -2.54 115.31 114.16 2kr6 h LEU 418 Ca -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 2kr6 h LEU 418 Cb 0.16 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 40.73 2kr6 h LEU 418 CO -0.00 0.28 0.25 0.00 -0.00 0.00 0.00 178.44 178.97 2kr6 h LEU 420 N 0.52 -1.26 0.37 0.00 5.85 -1.03 0.43 115.31 120.19 2kr6 h LEU 420 Ca 0.14 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 2kr6 h LEU 420 Cb -0.02 0.47 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2kr6 h LEU 420 CO -0.03 -0.51 -0.18 0.74 -0.34 0.00 0.00 178.44 178.12 2kr6 h THR 421 N -0.70 0.61 -0.91 1.05 2.02 -1.52 -2.62 112.91 110.85 2kr6 h THR 421 Ca 0.01 -0.47 0.25 0.00 0.77 0.00 0.00 66.41 66.97 2kr6 h THR 421 Cb 0.70 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 2kr6 h THR 421 CO -0.22 0.09 0.64 0.25 0.37 0.00 0.00 175.52 176.64 2kr6 h LEU 422 N -0.78 0.08 0.12 2.58 5.85 -0.18 -0.86 115.31 122.11 2kr6 h LEU 422 Ca -0.05 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2kr6 h LEU 422 Cb 0.52 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2kr6 h LEU 422 CO 0.08 0.03 -0.06 0.25 -0.34 0.00 0.00 178.44 178.40 2kr6 h LEU 423 N 0.07 -0.14 -1.07 2.25 7.12 0.08 0.34 115.31 123.96 2kr6 h LEU 423 Ca 0.44 -0.34 0.20 0.00 0.13 0.00 0.00 57.88 58.31 2kr6 h LEU 423 Cb 1.63 0.04 -0.10 0.00 -0.53 0.00 0.00 40.66 41.69 2kr6 h LEU 423 CO -0.04 0.30 0.61 -0.07 -0.13 0.00 0.00 178.44 179.11 2kr6 h LEU 424 N -0.61 0.73 0.00 2.25 3.38 -0.80 0.28 115.31 120.54 2kr6 h LEU 424 Ca -0.02 0.09 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 2kr6 h LEU 424 Cb 0.47 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2kr6 h LEU 424 CO 0.03 0.25 -1.05 0.25 0.09 0.00 0.00 178.44 178.00 2kr6 h LEU 425 N 0.71 0.00 -0.16 1.67 7.12 -1.42 -2.64 115.31 120.59 2kr6 h LEU 425 Ca 0.57 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 58.53 2kr6 h LEU 425 Cb 0.97 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.10 2kr6 h LEU 425 CO -0.36 0.76 -0.11 0.00 -0.13 0.00 0.00 178.44 178.60 2kr6 h ALA 426 N 1.24 0.23 -0.00 1.25 0.00 0.23 -1.66 119.26 120.54 2kr6 h ALA 426 Ca -0.09 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.34 2kr6 h ALA 426 Cb 1.66 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 2kr6 h ALA 426 CO 0.08 0.07 -0.85 0.97 0.00 0.00 0.00 179.25 179.53 2kr6 h ILE 427 N 0.01 1.51 -0.93 0.00 2.10 -0.71 -3.22 117.51 116.27 2kr6 h ILE 427 Ca 0.03 -2.62 0.07 0.00 1.08 0.00 0.00 64.86 63.42 2kr6 h ILE 427 Cb 0.61 2.45 -0.06 0.00 -1.09 0.00 0.00 36.82 38.73 2kr6 h ILE 427 CO 0.03 0.76 0.61 -0.26 -1.08 0.00 0.00 178.15 178.21 2kr6 h PHE 428 N 0.08 1.08 0.00 2.19 -1.00 -1.47 -3.45 116.94 114.37 2kr6 h PHE 428 Ca -0.03 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2kr6 h PHE 428 Cb 1.46 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 40.67 2kr6 h PHE 428 CO 0.02 0.54 0.00 0.36 -1.61 0.00 0.00 178.31 177.62 2kr6 n LYS 429 N -4.51 0.00 0.00 1.51 2.85 -1.14 -5.09 118.16 111.79 2kr6 n LYS 429 Ca 0.15 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 2kr6 n LYS 429 Cb 0.23 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.61 2kr6 n LYS 429 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2kr6 n LYS 430 N -1.93 0.00 0.00 -1.58 2.85 -0.64 -4.11 118.16 112.75 2kr6 n LYS 430 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2kr6 n LYS 430 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2kr6 n LYS 430 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kr6 n ALA 431 N -0.03 0.00 0.00 0.58 0.00 -1.22 -4.59 120.51 115.25 2kr6 n ALA 431 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kr6 n ALA 431 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.57 2kr6 n ALA 431 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kr6 n LEU 432 N -0.71 0.00 -4.77 0.00 4.77 -1.26 -4.91 117.00 110.12 2kr6 n LEU 432 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 2kr6 n LEU 432 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2kr6 n LEU 432 CO 0.00 0.00 0.80 -2.16 -1.33 0.00 0.00 177.39 174.70 2kr6 s PRO 433 N 0.00 3.53 1.10 3.23 0.04 -1.26 -4.85 135.00 136.79 2kr6 s PRO 433 Ca 0.00 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2kr6 s PRO 433 Cb 0.00 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2kr6 s PRO 433 CO 0.00 -0.72 0.00 0.00 0.04 0.00 0.00 177.00 176.32 2kr6 n ALA 434 N -0.95 -0.23 -0.78 8.56 0.00 -1.26 -4.73 120.51 121.12 2kr6 n ALA 434 Ca 0.10 0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 2kr6 n ALA 434 Cb 0.50 -0.07 0.13 0.00 0.00 0.00 0.00 19.45 20.00 2kr6 n ALA 434 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kr6 n LEU 435 N 0.00 -0.97 -4.77 0.00 4.32 -1.26 -4.93 117.00 109.38 2kr6 n LEU 435 Ca 0.00 0.23 -0.35 0.00 -0.02 0.00 0.00 56.01 55.87 2kr6 n LEU 435 Cb 0.03 -1.13 0.01 0.00 -1.62 0.00 0.00 43.42 40.71 2kr6 n LEU 435 CO 0.00 -3.64 0.77 -2.16 -1.22 0.00 0.00 177.39 171.14 2kr6 s PRO 436 N -3.50 3.26 -0.27 3.23 0.04 -1.26 -4.27 135.00 132.23 2kr6 s PRO 436 Ca 0.56 1.57 -0.24 0.00 0.04 0.00 0.00 61.00 62.92 2kr6 s PRO 436 Cb -0.19 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.39 2kr6 s PRO 436 CO 0.68 -0.92 0.40 1.51 0.04 0.00 0.00 177.00 178.71 2kr6 n ILE 437 N -1.51 -2.67 -4.07 0.56 3.06 -1.26 -4.97 119.36 108.49 2kr6 n ILE 437 Ca 0.11 0.13 -0.09 0.00 -2.50 0.00 0.00 62.75 60.40 2kr6 n ILE 437 Cb 0.51 -2.66 -0.11 0.00 0.54 0.00 0.00 39.64 37.93 2kr6 n ILE 437 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 2kr6 s SER 438 N -1.06 0.61 -0.29 9.51 0.01 -1.26 -5.06 113.70 116.17 2kr6 s SER 438 Ca 0.24 -0.78 -0.04 0.00 1.31 0.00 0.00 55.95 56.68 2kr6 s SER 438 Cb -0.02 0.12 0.10 0.00 0.21 0.00 0.00 66.02 66.43 2kr6 s SER 438 CO 0.53 -0.42 0.15 -0.51 0.41 0.00 0.00 173.24 173.40 2kr6 s ILE 439 N -2.71 -0.11 0.52 1.44 2.07 -1.26 -5.02 121.20 116.13 2kr6 s ILE 439 Ca -0.02 -0.70 0.01 0.00 -1.41 0.00 0.00 60.65 58.53 2kr6 s ILE 439 Cb -0.01 -0.96 -0.01 0.00 0.13 0.00 0.00 42.46 41.61 2kr6 s ILE 439 CO -0.05 -0.68 0.01 0.42 -1.91 0.00 0.00 174.94 172.73 2kr6 s THR 440 N 2.13 1.03 0.49 4.00 -4.23 -1.26 -4.98 115.64 112.83 2kr6 s THR 440 Ca 0.09 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.38 2kr6 s THR 440 Cb -0.16 -2.07 -0.09 0.00 1.34 0.00 0.00 72.50 71.53 2kr6 s THR 440 CO -0.35 0.00 0.91 0.49 -0.54 0.00 0.00 174.62 175.13 2kr6 n PHE 441 N -1.28 0.75 0.27 3.99 3.01 -1.26 -4.82 117.46 118.12 2kr6 n PHE 441 Ca -0.20 0.51 0.14 0.00 1.01 0.00 0.00 57.45 58.90 2kr6 n PHE 441 Cb 0.67 -2.16 0.73 0.00 -0.01 0.00 0.00 39.48 38.71 2kr6 n PHE 441 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2kr6 h GLY 442 N 1.03 0.00 0.00 1.37 0.00 -1.97 -2.02 103.07 101.48 2kr6 h GLY 442 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2kr6 h GLY 442 CO 0.53 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.11 2kr6 n LEU 443 N -3.43 0.01 0.13 3.11 4.32 -1.26 0.05 117.00 119.93 2kr6 n LEU 443 Ca -0.01 0.95 0.04 0.00 -0.02 0.00 0.00 56.01 56.97 2kr6 n LEU 443 Cb 0.26 -0.48 0.47 0.00 -1.62 0.00 0.00 43.42 42.06 2kr6 n LEU 443 CO 0.29 -0.48 1.01 -0.37 -1.22 0.00 0.00 177.39 176.62 2kr6 h VAL 444 N 0.00 1.11 -0.19 4.08 -1.51 -1.95 -2.52 116.25 115.27 2kr6 h VAL 444 Ca 0.00 -0.42 -0.03 0.00 -1.23 0.00 0.00 66.70 65.02 2kr6 h VAL 444 Cb 0.00 0.99 -0.01 0.00 -2.13 0.00 0.00 31.29 30.14 2kr6 h VAL 444 CO 0.00 0.14 0.00 0.15 -1.23 0.00 0.00 177.57 176.63 2kr6 h PHE 445 N 0.23 0.36 0.38 5.19 3.57 -1.36 0.05 116.94 125.37 2kr6 h PHE 445 Ca 0.06 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2kr6 h PHE 445 Cb 0.16 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 2kr6 h PHE 445 CO 0.00 0.52 -0.23 1.88 -2.23 0.00 0.00 178.31 178.26 2kr6 h TYR 446 N 0.09 -0.59 -0.24 0.41 -1.99 -0.04 0.26 116.97 114.87 2kr6 h TYR 446 Ca 0.05 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 2kr6 h TYR 446 Cb 0.38 0.21 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 2kr6 h TYR 446 CO 0.03 -0.35 0.06 0.35 -0.00 0.00 0.00 178.16 178.25 2kr6 h PHE 447 N -0.58 0.33 0.00 4.88 3.04 -1.49 -0.30 116.94 122.82 2kr6 h PHE 447 Ca -0.04 -0.01 -0.09 0.00 3.98 0.00 0.00 57.97 61.81 2kr6 h PHE 447 Cb 0.47 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.87 2kr6 h PHE 447 CO -0.09 0.30 -0.42 0.00 -2.02 0.00 0.00 178.31 176.09 2kr6 h ALA 448 N 1.73 0.85 0.00 2.41 0.00 -0.52 -3.08 119.26 120.65 2kr6 h ALA 448 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2kr6 h ALA 448 Cb 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kr6 h ALA 448 CO -0.00 0.52 -0.72 1.79 0.00 0.00 0.00 179.25 180.84 2kr6 h THR 449 N 0.00 0.00 -0.70 0.00 1.35 0.61 -3.37 112.91 110.80 2kr6 h THR 449 Ca -0.00 -0.64 0.15 0.00 -0.55 0.00 0.00 66.41 65.37 2kr6 h THR 449 Cb 1.10 1.20 -0.12 0.00 -1.73 0.00 0.00 68.15 68.60 2kr6 h THR 449 CO 0.05 0.00 0.03 -0.78 -0.25 0.00 0.00 175.52 174.57 2kr6 h ASP 450 N 0.00 -0.27 -0.87 5.36 1.82 -1.00 0.44 116.42 121.91 2kr6 h ASP 450 Ca 0.00 0.17 -0.40 0.00 -0.39 0.00 0.00 57.03 56.42 2kr6 h ASP 450 Cb 0.82 0.29 -0.24 0.00 0.68 0.00 0.00 39.33 40.89 2kr6 h ASP 450 CO 0.00 -0.13 0.50 -1.22 -1.61 0.00 0.00 179.24 176.78 2kr6 n TYR 451 N -5.29 2.73 0.00 0.28 4.01 -1.26 -4.31 117.16 113.32 2kr6 n TYR 451 Ca 0.12 -1.57 0.00 0.00 -0.16 0.00 0.00 57.90 56.29 2kr6 n TYR 451 Cb 0.43 -0.83 0.00 0.00 -0.31 0.00 0.00 39.34 38.63 2kr6 n TYR 451 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2kr6 n LEU 452 N -0.74 0.00 -0.09 7.72 7.99 0.11 -5.02 117.00 126.97 2kr6 n LEU 452 Ca 0.51 0.00 -0.16 0.00 -0.01 0.00 0.00 56.01 56.35 2kr6 n LEU 452 Cb 1.52 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 44.77 2kr6 n LEU 452 CO 0.52 -0.31 -1.08 0.52 -1.51 0.00 0.00 177.39 175.53 2kr6 n VAL 453 N -1.94 0.96 -2.45 4.08 0.31 0.87 -5.03 118.33 115.13 2kr6 n VAL 453 Ca 0.00 -0.29 -0.05 0.00 -0.01 0.00 0.00 64.34 63.99 2kr6 n VAL 453 Cb 0.00 -1.48 0.01 0.00 -0.91 0.00 0.00 33.84 31.45 2kr6 n VAL 453 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2kr6 n GLN 454 N -3.47 -1.83 0.00 5.55 7.27 0.11 -4.97 117.38 120.03 2kr6 n GLN 454 Ca -0.33 1.74 0.00 0.00 0.07 0.00 0.00 57.00 58.48 2kr6 n GLN 454 Cb 0.77 -4.44 0.00 0.00 2.41 0.00 0.00 30.24 28.98 2kr6 n GLN 454 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 2kr6 n PRO 455 N -0.23 -0.09 0.33 3.69 -0.04 -1.26 -4.77 135.00 132.64 2kr6 n PRO 455 Ca 0.07 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.73 2kr6 n PRO 455 Cb 0.28 0.00 1.06 0.00 -0.04 0.00 0.00 33.50 34.80 2kr6 n PRO 455 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2kr6 h PHE 456 N -1.05 0.00 -1.00 0.54 0.04 -1.96 -1.84 116.94 111.67 2kr6 h PHE 456 Ca 0.00 0.00 0.28 0.00 2.80 0.00 0.00 57.97 61.05 2kr6 h PHE 456 Cb 0.00 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.10 2kr6 h PHE 456 CO 0.00 0.00 0.71 0.00 -0.60 0.00 0.00 178.31 178.42 2kr6 h MET 457 N 0.00 0.06 0.01 1.51 -0.00 -1.95 0.20 114.93 114.76 2kr6 h MET 457 Ca 0.00 -0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.73 2kr6 h MET 457 Cb 0.26 -0.01 -0.05 0.00 -0.00 0.00 0.00 31.60 31.80 2kr6 h MET 457 CO -0.00 0.04 -0.27 0.22 -0.00 0.00 0.00 176.91 176.90 2kr6 h ASP 458 N 0.06 -0.80 0.00 -0.10 3.58 -1.59 0.30 116.42 117.86 2kr6 h ASP 458 Ca 0.48 0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.98 2kr6 h ASP 458 Cb 1.82 0.33 -0.01 0.00 1.72 0.00 0.00 39.33 43.19 2kr6 h ASP 458 CO -0.04 -0.34 -0.45 -0.61 -2.88 0.00 0.00 179.24 174.92 2kr6 h GLN 459 N -0.42 0.00 0.36 0.28 4.15 -1.42 -1.98 115.11 116.08 2kr6 h GLN 459 Ca 0.06 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 2kr6 h GLN 459 Cb 0.50 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 2kr6 h GLN 459 CO -0.23 0.53 -0.39 1.25 -1.93 0.00 0.00 178.83 178.06 2kr6 h LEU 460 N -1.00 -1.09 -0.21 -2.39 7.12 -0.74 -2.11 115.31 114.88 2kr6 h LEU 460 Ca -0.09 0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2kr6 h LEU 460 Cb 0.73 0.36 0.00 0.00 -0.53 0.00 0.00 40.66 41.22 2kr6 h LEU 460 CO -0.06 -0.51 0.00 0.00 -0.13 0.00 0.00 178.44 177.75 2kr6 n ALA 461 N -2.70 1.94 -0.33 1.25 0.00 0.90 -4.91 120.51 116.66 2kr6 n ALA 461 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2kr6 n ALA 461 Cb 0.35 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2kr6 n ALA 461 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2kr6 n PHE 462 N -1.90 0.00 -3.20 0.00 3.72 -0.30 -3.98 117.46 111.80 2kr6 n PHE 462 Ca 0.04 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.38 2kr6 n PHE 462 Cb 0.28 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.79 2kr6 n PHE 462 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2kr6 s HIS 463 N 0.00 -1.16 0.55 1.38 2.46 -1.26 -4.55 115.29 112.70 2kr6 s HIS 463 Ca 0.00 -0.30 -0.20 0.00 0.47 0.00 0.00 55.06 55.04 2kr6 s HIS 463 Cb 0.00 0.05 -0.08 0.00 -0.13 0.00 0.00 32.58 32.42 2kr6 s HIS 463 CO 0.00 -1.12 0.79 0.94 -2.47 0.00 0.00 174.74 172.88 2kr6 n GLN 464 N 4.09 0.82 -4.59 2.88 -0.06 -1.26 -5.01 117.38 114.25 2kr6 n GLN 464 Ca 0.13 0.31 -0.28 0.00 -2.00 0.00 0.00 57.00 55.16 2kr6 n GLN 464 Cb 0.53 -1.94 -0.08 0.00 -4.06 0.00 0.00 30.24 24.69 2kr6 n GLN 464 CO 0.00 0.00 0.00 -0.06 -0.20 0.00 0.00 177.06 176.80 2kr6 s PHE 465 N -1.54 1.78 -0.28 3.69 0.08 -1.26 -5.09 117.98 115.36 2kr6 s PHE 465 Ca 0.70 -1.25 -0.15 0.00 0.12 0.00 0.00 56.93 56.35 2kr6 s PHE 465 Cb -0.46 -1.26 -0.03 0.00 -0.57 0.00 0.00 43.02 40.70 2kr6 s PHE 465 CO 0.52 -0.21 0.39 -0.47 -0.10 0.00 0.00 175.22 175.35 2kr6 s TYR 466 N -3.10 3.24 0.00 0.36 5.04 -1.26 -5.13 117.35 116.50 2kr6 s TYR 466 Ca 0.17 0.39 0.00 0.00 -2.44 0.00 0.00 57.07 55.19 2kr6 s TYR 466 Cb 0.01 -2.60 0.00 0.00 0.35 0.00 0.00 41.96 39.72 2kr6 s TYR 466 CO 0.11 -0.26 0.06 0.44 -1.34 0.00 0.00 175.55 174.56