#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aye s ALA 283 N 0.00 3.64 -0.18 7.33 0.00 -1.26 -1.80 121.76 129.48 2aye s ALA 283 Ca 0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 51.96 51.20 2aye s ALA 283 Cb 0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 2aye s ALA 283 CO 0.00 0.51 0.03 0.99 0.00 0.00 0.00 175.76 177.29 2aye s THR 284 N -0.67 4.39 0.26 0.00 2.01 0.10 -4.81 115.64 116.92 2aye s THR 284 Ca 0.12 -0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 2aye s THR 284 Cb -0.12 -2.97 -0.09 0.00 0.01 0.00 0.00 72.50 69.33 2aye s THR 284 CO 0.02 0.45 1.10 -2.16 -0.69 0.00 0.00 174.62 173.34 2aye s PRO 285 N 0.57 4.64 0.12 4.92 0.05 -1.26 -0.53 135.00 143.51 2aye s PRO 285 Ca 0.01 1.78 0.01 0.00 0.05 0.00 0.00 61.00 62.85 2aye s PRO 285 Cb -0.13 -3.21 -0.04 0.00 0.05 0.00 0.00 34.50 31.16 2aye s PRO 285 CO 0.02 0.19 -0.02 0.96 0.05 0.00 0.00 177.00 178.20 2aye s ILE 286 N -0.97 0.56 -0.08 0.56 -4.36 -0.19 -1.61 121.20 115.11 2aye s ILE 286 Ca 0.45 -1.93 0.04 0.00 -0.26 0.00 0.00 60.65 58.95 2aye s ILE 286 Cb -0.31 -1.87 -0.00 0.00 1.25 0.00 0.00 42.46 41.53 2aye s ILE 286 CO 0.40 -0.69 -0.22 -0.69 0.24 0.00 0.00 174.94 173.97 2aye s VAL 287 N -3.72 1.88 -0.23 8.37 1.01 0.10 -1.83 120.40 125.97 2aye s VAL 287 Ca 0.17 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 2aye s VAL 287 Cb 0.06 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2aye s VAL 287 CO -0.01 0.52 0.28 -1.10 0.00 0.00 0.00 175.10 174.78 2aye s GLN 288 N 0.20 4.10 -0.11 2.72 -0.21 0.27 -1.11 119.66 125.51 2aye s GLN 288 Ca -0.12 -0.06 -0.05 0.00 0.02 0.00 0.00 55.36 55.15 2aye s GLN 288 Cb -0.16 -3.55 -0.04 0.00 1.00 0.00 0.00 33.01 30.26 2aye s GLN 288 CO 0.06 -0.02 0.08 -0.06 -2.12 0.00 0.00 175.29 173.23 2aye s PHE 289 N 1.28 3.38 0.00 0.91 0.40 0.10 -0.79 117.98 123.27 2aye s PHE 289 Ca 0.13 0.35 0.02 0.00 -0.60 0.00 0.00 56.93 56.82 2aye s PHE 289 Cb -0.14 -1.89 -0.01 0.00 0.51 0.00 0.00 43.02 41.49 2aye s PHE 289 CO 0.07 0.57 -0.06 -0.65 0.70 0.00 0.00 175.22 175.84 2aye s GLN 290 N -0.82 0.50 0.00 0.44 -0.21 0.29 -1.09 119.66 118.77 2aye s GLN 290 Ca 0.13 -0.31 0.00 0.00 0.02 0.00 0.00 55.36 55.20 2aye s GLN 290 Cb -0.12 -0.45 0.00 0.00 1.00 0.00 0.00 33.01 33.45 2aye s GLN 290 CO 0.03 0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.72 2aye n GLY 291 N 2.67 -1.33 3.76 3.09 0.00 -1.06 -1.11 105.19 111.22 2aye n GLY 291 Ca -0.15 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 2aye n GLY 291 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2aye s GLU 292 N -1.23 4.18 0.21 1.61 -6.30 -1.26 0.35 118.70 116.26 2aye s GLU 292 Ca 0.00 2.47 -0.09 0.00 -2.50 0.00 0.00 54.97 54.85 2aye s GLU 292 Cb 0.00 -3.02 0.16 0.00 0.00 0.00 0.00 34.13 31.27 2aye s GLU 292 CO 0.00 -0.48 1.84 0.66 0.02 0.00 0.00 175.26 177.29 2aye h SER 293 N 3.87 0.97 -0.97 -1.70 4.64 -1.93 -1.72 113.55 116.72 2aye h SER 293 Ca -0.49 -0.09 0.04 0.00 -0.47 0.00 0.00 61.79 60.78 2aye h SER 293 Cb 1.23 -0.25 -0.06 0.00 -0.31 0.00 0.00 62.40 63.02 2aye h SER 293 CO 0.70 0.78 0.64 0.78 -0.87 0.00 0.00 176.83 178.86 2aye h ASN 294 N 1.08 1.06 -0.54 4.97 2.35 -1.98 0.42 115.58 122.94 2aye h ASN 294 Ca 0.28 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 56.03 2aye h ASN 294 Cb 0.02 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 2aye h ASN 294 CO -0.05 0.73 0.34 0.00 -1.65 0.00 0.00 177.43 176.80 2aye h LEU 296 N 0.68 0.77 -0.57 0.00 3.38 -1.10 0.16 115.31 118.64 2aye h LEU 296 Ca 0.21 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2aye h LEU 296 Cb -0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2aye h LEU 296 CO -0.08 1.16 0.20 0.11 0.09 0.00 0.00 178.44 179.92 2aye h LYS 297 N 0.53 0.87 -0.34 1.13 1.57 -0.86 0.35 116.57 119.82 2aye h LYS 297 Ca 0.01 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2aye h LYS 297 Cb 1.12 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 2aye h LYS 297 CO 0.11 0.77 0.19 0.00 -0.57 0.00 0.00 179.45 179.96 2aye h PHE 299 N 0.43 0.50 -0.87 0.00 3.57 -0.28 -2.50 116.94 117.80 2aye h PHE 299 Ca 0.12 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.65 2aye h PHE 299 Cb 0.04 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 2aye h PHE 299 CO -0.03 0.27 0.57 -0.09 -2.23 0.00 0.00 178.31 176.80 2aye h ARG 300 N 0.54 1.14 -0.74 1.11 2.43 -0.19 -0.69 114.38 117.97 2aye h ARG 300 Ca 0.20 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2aye h ARG 300 Cb 0.07 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 29.32 2aye h ARG 300 CO -0.12 0.76 0.44 -0.92 -1.51 0.00 0.00 179.97 178.62 2aye h TYR 301 N 1.17 0.98 -0.21 2.20 3.20 -1.19 -1.81 116.97 121.31 2aye h TYR 301 Ca 0.32 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 62.04 2aye h TYR 301 Cb -0.13 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 37.82 2aye h TYR 301 CO -0.01 0.66 -0.42 -0.09 -1.64 0.00 0.00 178.16 176.66 2aye h ARG 302 N 1.03 0.65 -0.37 1.82 9.65 -0.92 -0.26 114.38 125.97 2aye h ARG 302 Ca 0.27 -0.42 0.08 0.00 -1.10 0.00 0.00 59.98 58.80 2aye h ARG 302 Cb -0.03 0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 28.53 2aye h ARG 302 CO -0.05 1.04 -0.16 -0.07 2.80 0.00 0.00 179.97 183.53 2aye h LEU 303 N 0.34 -0.56 -1.01 3.80 3.38 -0.95 0.43 115.31 120.74 2aye h LEU 303 Ca 0.01 0.14 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 2aye h LEU 303 Cb 1.03 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 2aye h LEU 303 CO 0.09 -0.20 -0.49 0.78 0.09 0.00 0.00 178.44 178.71 2aye h ASN 304 N -0.10 0.00 0.25 -0.43 2.35 -1.25 0.12 115.58 116.52 2aye h ASN 304 Ca 0.19 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.60 2aye h ASN 304 Cb 0.38 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.79 2aye h ASN 304 CO -0.44 0.49 -1.51 -0.78 -1.65 0.00 0.00 177.43 173.54 2aye h ASP 304 N 0.00 0.83 0.00 5.81 1.82 -0.71 -3.40 116.42 120.77 2aye h ASP 304 Ca -0.00 -0.92 -0.05 0.00 -0.39 0.00 0.00 57.03 55.66 2aye h ASP 304 Cb 0.88 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 2aye h ASP 304 CO 0.06 1.73 -1.21 0.29 -1.61 0.00 0.00 179.24 178.50 2aye n LYS 305 N -3.71 2.86 -0.10 0.28 4.76 0.15 -4.83 118.16 117.57 2aye n LYS 305 Ca -0.18 -0.01 0.05 0.00 -2.87 0.00 0.00 58.31 55.30 2aye n LYS 305 Cb 1.10 -1.08 0.07 0.00 -1.84 0.00 0.00 35.03 33.28 2aye n LYS 305 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2aye n HIS 306 N -2.03 0.00 -0.08 2.13 8.25 0.24 -4.79 115.22 118.95 2aye n HIS 306 Ca -0.04 -0.64 0.05 0.00 -0.26 0.00 0.00 57.72 56.83 2aye n HIS 306 Cb 0.51 -0.09 0.39 0.00 1.12 0.00 0.00 29.99 31.91 2aye n HIS 306 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2aye h ARG 307 N 0.00 0.64 0.00 -0.41 2.43 -1.28 0.19 114.38 115.96 2aye h ARG 307 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2aye h ARG 307 Cb 0.90 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 2aye h ARG 307 CO 0.00 0.42 0.00 -2.39 -1.51 0.00 0.00 179.97 176.49 2aye n HIS 308 N -4.47 0.00 0.95 2.20 1.44 -1.26 -3.55 115.22 110.53 2aye n HIS 308 Ca 0.06 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.89 2aye n HIS 308 Cb 0.12 -0.25 0.08 0.00 0.12 0.00 0.00 29.99 30.07 2aye n HIS 308 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2aye n LEU 309 N -1.25 2.80 -3.97 2.39 4.77 0.68 -5.01 117.00 117.41 2aye n LEU 309 Ca 0.05 -0.97 -0.10 0.00 -0.03 0.00 0.00 56.01 54.96 2aye n LEU 309 Cb 0.07 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 2aye n LEU 309 CO 0.07 0.47 0.27 0.72 -1.33 0.00 0.00 177.39 177.59 2aye s PHE 310 N -1.96 0.40 0.00 -1.77 -0.12 -1.23 -4.62 117.98 108.69 2aye s PHE 310 Ca 0.26 -0.80 0.00 0.00 -0.05 0.00 0.00 56.93 56.33 2aye s PHE 310 Cb 0.19 0.30 0.00 0.00 -0.63 0.00 0.00 43.02 42.88 2aye s PHE 310 CO 0.31 -1.15 0.00 -3.47 -0.05 0.00 0.00 175.22 170.86 2aye n ASP 311 N -0.78 0.00 -4.77 1.98 2.03 0.77 -5.00 116.55 110.78 2aye n ASP 311 Ca -0.02 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.02 2aye n ASP 311 Cb 0.61 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.95 2aye n ASP 311 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2aye s LEU 312 N -1.03 3.68 -0.02 -2.67 1.43 -1.21 -4.93 118.68 113.94 2aye s LEU 312 Ca 0.00 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 2aye s LEU 312 Cb 0.00 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.94 2aye s LEU 312 CO 0.00 0.07 -0.00 -0.51 0.23 0.00 0.00 176.35 176.14 2aye s ILE 313 N -1.77 0.11 0.62 -0.59 2.07 -1.26 -0.92 121.20 119.47 2aye s ILE 313 Ca 0.30 0.05 -0.06 0.00 -1.41 0.00 0.00 60.65 59.53 2aye s ILE 313 Cb -0.10 -0.18 0.02 0.00 0.13 0.00 0.00 42.46 42.34 2aye s ILE 313 CO 0.22 0.09 0.93 -0.94 -1.91 0.00 0.00 174.94 173.33 2aye s SER 314 N 0.61 5.38 1.28 4.50 1.04 -0.12 -5.00 113.70 121.39 2aye s SER 314 Ca -0.06 0.62 -0.18 0.00 0.48 0.00 0.00 55.95 56.81 2aye s SER 314 Cb -0.08 -1.52 0.32 0.00 0.10 0.00 0.00 66.02 64.83 2aye s SER 314 CO -0.01 -1.21 1.00 -0.94 0.98 0.00 0.00 173.24 173.06 2aye s SER 315 N -4.36 0.09 -0.01 7.02 1.04 -1.26 -4.69 113.70 111.52 2aye s SER 315 Ca 0.56 1.03 -0.26 0.00 0.48 0.00 0.00 55.95 57.76 2aye s SER 315 Cb -0.11 -1.53 -0.04 0.00 0.10 0.00 0.00 66.02 64.44 2aye s SER 315 CO 0.45 -4.68 0.81 0.42 0.98 0.00 0.00 173.24 171.21 2aye s THR 316 N -2.50 4.89 0.31 2.02 -4.23 -1.26 -4.58 115.64 110.30 2aye s THR 316 Ca 0.69 1.70 0.04 0.00 -1.18 0.00 0.00 61.69 62.93 2aye s THR 316 Cb -0.17 -4.15 -0.04 0.00 1.34 0.00 0.00 72.50 69.48 2aye s THR 316 CO 0.60 0.26 0.17 -1.66 -0.54 0.00 0.00 174.62 173.45 2aye s TRP 317 N 0.60 1.62 0.18 3.99 1.48 0.70 -4.87 118.94 122.64 2aye s TRP 317 Ca 0.42 -1.41 -0.10 0.00 -1.06 0.00 0.00 56.10 53.95 2aye s TRP 317 Cb -0.20 -0.84 -0.01 0.00 -1.16 0.00 0.00 33.47 31.26 2aye s TRP 317 CO 0.23 -0.57 0.33 -3.38 -4.06 0.00 0.00 176.95 169.50 2aye s HIS 318 N -3.57 0.40 -0.27 1.66 -3.43 -1.26 0.51 115.29 109.32 2aye s HIS 318 Ca 0.36 -0.75 -0.29 0.00 -0.80 0.00 0.00 55.06 53.58 2aye s HIS 318 Cb 0.04 -0.00 0.01 0.00 -1.43 0.00 0.00 32.58 31.20 2aye s HIS 318 CO 0.19 -0.78 1.12 -1.58 -2.00 0.00 0.00 174.74 171.69 2aye s TRP 319 N -3.98 3.10 0.11 0.38 0.52 -1.26 -5.01 118.94 112.80 2aye s TRP 319 Ca 0.19 1.20 -0.22 0.00 0.02 0.00 0.00 56.10 57.29 2aye s TRP 319 Cb 0.02 -3.57 -0.07 0.00 -1.15 0.00 0.00 33.47 28.70 2aye s TRP 319 CO 0.02 -0.95 0.68 0.00 0.02 0.00 0.00 176.95 176.72 2aye s ALA 320 N 3.60 3.51 0.00 0.98 0.00 -1.26 -4.66 121.76 123.93 2aye s ALA 320 Ca 0.48 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.64 2aye s ALA 320 Cb -0.15 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.16 2aye s ALA 320 CO 0.14 0.33 0.00 -1.13 0.00 0.00 0.00 175.76 175.09 2aye n SER 321 N 1.74 -0.69 -0.40 0.00 3.41 -1.26 -4.61 113.62 111.80 2aye n SER 321 Ca -0.08 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.44 2aye n SER 321 Cb 0.50 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.37 2aye n SER 321 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2aye n PRO 322 N 0.00 -0.40 0.01 4.33 -0.02 -1.26 -2.69 135.00 134.97 2aye n PRO 322 Ca 0.00 1.48 0.13 0.00 -2.02 0.00 0.00 63.50 63.09 2aye n PRO 322 Cb 0.00 -2.18 0.38 0.00 -0.02 0.00 0.00 33.50 31.68 2aye n PRO 322 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2aye n LYS 323 N -5.26 0.06 -1.46 -0.52 4.81 -1.26 -4.98 118.16 109.54 2aye n LYS 323 Ca 0.03 0.03 -0.55 0.00 -0.87 0.00 0.00 58.31 56.95 2aye n LYS 323 Cb 0.28 -1.54 -0.06 0.00 0.02 0.00 0.00 35.03 33.72 2aye n LYS 323 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2aye n ALA 324 N -1.56 -3.38 -1.00 3.14 0.00 -1.10 -4.99 120.51 111.62 2aye n ALA 324 Ca 0.06 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2aye n ALA 324 Cb 0.36 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2aye n ALA 324 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2aye n PRO 325 N 1.32 0.00 0.00 0.00 -0.02 -1.26 -4.92 135.00 130.12 2aye n PRO 325 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2aye n PRO 325 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.62 2aye n PRO 325 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2aye n HIS 326 N 0.00 -0.86 -2.23 6.00 1.44 -1.26 -5.07 115.22 113.24 2aye n HIS 326 Ca 0.00 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.69 2aye n HIS 326 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 2aye n HIS 326 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2aye n LYS 327 N -0.18 0.04 0.00 -1.40 5.02 -1.26 -4.92 118.16 115.45 2aye n LYS 327 Ca 0.00 -1.45 0.00 0.00 -2.02 0.00 0.00 58.31 54.84 2aye n LYS 327 Cb 0.00 0.26 0.00 0.00 -0.02 0.00 0.00 35.03 35.27 2aye n LYS 327 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2aye n HIS 328 N 0.18 0.00 -1.97 2.13 8.25 -1.26 -5.05 115.22 117.50 2aye n HIS 328 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2aye n HIS 328 Cb 0.89 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.00 2aye n HIS 328 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2aye n ALA 329 N -3.00 0.00 -3.10 -1.41 0.00 0.15 -4.48 120.51 108.67 2aye n ALA 329 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2aye n ALA 329 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 2aye n ALA 329 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2aye s ILE 330 N 2.03 0.34 -0.08 0.00 1.01 0.18 -2.56 121.20 122.12 2aye s ILE 330 Ca 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.57 2aye s ILE 330 Cb 0.00 -0.33 0.00 0.00 0.01 0.00 0.00 42.46 42.14 2aye s ILE 330 CO 0.00 0.13 -0.21 -0.69 0.00 0.00 0.00 174.94 174.16 2aye s VAL 331 N 0.28 1.83 -0.20 2.92 1.01 -0.25 -0.22 120.40 125.78 2aye s VAL 331 Ca -0.03 -0.90 -0.09 0.00 0.00 0.00 0.00 61.98 60.96 2aye s VAL 331 Cb -0.06 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 2aye s VAL 331 CO -0.00 0.51 0.11 -0.89 0.00 0.00 0.00 175.10 174.82 2aye s THR 332 N 0.28 5.17 -0.08 3.92 2.01 -1.26 -0.73 115.64 124.95 2aye s THR 332 Ca -0.14 0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.00 2aye s THR 332 Cb -0.16 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.00 2aye s THR 332 CO 0.06 0.44 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.55 2aye s VAL 333 N 0.43 1.68 0.21 3.82 1.01 -0.27 -0.94 120.40 126.34 2aye s VAL 333 Ca 0.06 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.32 2aye s VAL 333 Cb -0.12 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 2aye s VAL 333 CO -0.01 0.48 0.00 0.42 0.00 0.00 0.00 175.10 175.99 2aye s THR 334 N 0.40 3.63 0.12 3.92 -4.23 -0.10 -0.72 115.64 118.67 2aye s THR 334 Ca -0.15 -1.63 0.05 0.00 -1.18 0.00 0.00 61.69 58.78 2aye s THR 334 Cb -0.16 -2.88 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 2aye s THR 334 CO 0.06 -0.23 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.49 2aye s TYR 335 N -1.98 1.22 -0.58 3.99 1.51 -0.64 -0.16 117.35 120.72 2aye s TYR 335 Ca 0.29 -0.67 0.25 0.00 -1.01 0.00 0.00 57.07 55.93 2aye s TYR 335 Cb -0.08 -0.64 0.63 0.00 -0.11 0.00 0.00 41.96 41.76 2aye s TYR 335 CO 0.19 0.07 1.71 0.45 -1.11 0.00 0.00 175.55 176.86 2aye h HIS 336 N 3.24 0.00 -2.40 2.71 3.86 -1.95 -3.39 115.15 117.23 2aye h HIS 336 Ca -0.38 0.00 0.16 0.00 -1.16 0.00 0.00 60.37 58.99 2aye h HIS 336 Cb 1.19 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.57 2aye h HIS 336 CO 0.64 0.00 0.46 -1.54 0.86 0.00 0.00 177.93 178.35 2aye s SER 337 N -5.27 -0.21 0.25 2.45 1.04 -1.26 -4.96 113.70 105.72 2aye s SER 337 Ca 0.09 -0.37 -0.04 0.00 0.48 0.00 0.00 55.95 56.11 2aye s SER 337 Cb 0.09 0.50 0.28 0.00 0.10 0.00 0.00 66.02 66.99 2aye s SER 337 CO 0.62 -0.91 1.76 -0.33 0.98 0.00 0.00 173.24 175.37 2aye h GLU 338 N 2.00 0.92 -0.78 4.02 5.08 -1.95 -1.79 114.58 122.07 2aye h GLU 338 Ca -0.24 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 57.87 2aye h GLU 338 Cb 1.24 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 2aye h GLU 338 CO 0.26 0.85 0.35 1.49 -1.00 0.00 0.00 179.01 180.97 2aye h GLU 339 N 0.87 1.14 -0.62 2.33 4.57 -1.99 -1.28 114.58 119.61 2aye h GLU 339 Ca 0.18 -0.18 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 2aye h GLU 339 Cb 0.38 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 2aye h GLU 339 CO 0.01 0.90 0.02 0.37 -1.18 0.00 0.00 179.01 179.12 2aye h GLN 340 N 1.11 1.08 0.06 1.92 4.15 -1.85 -1.65 115.11 119.93 2aye h GLN 340 Ca 0.27 -0.34 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 2aye h GLN 340 Cb 0.15 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.74 2aye h GLN 340 CO -0.03 1.04 -0.03 -0.09 -1.93 0.00 0.00 178.83 177.79 2aye h ARG 341 N 0.98 -0.08 -0.66 1.69 2.43 -1.21 -2.25 114.38 115.29 2aye h ARG 341 Ca 0.18 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.48 2aye h ARG 341 Cb 0.54 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.02 2aye h ARG 341 CO 0.03 0.04 0.17 0.37 -1.51 0.00 0.00 179.97 179.07 2aye h GLN 342 N -0.17 0.29 -0.37 0.20 5.75 -1.18 -1.22 115.11 118.40 2aye h GLN 342 Ca -0.01 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 2aye h GLN 342 Cb 0.15 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 2aye h GLN 342 CO 0.01 0.19 0.11 1.96 -2.65 0.00 0.00 178.83 178.45 2aye h GLN 343 N 0.30 0.54 -0.18 1.69 1.08 -1.19 0.41 115.11 117.76 2aye h GLN 343 Ca 0.35 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.46 2aye h GLN 343 Cb 0.54 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 2aye h GLN 343 CO -0.43 0.49 0.05 0.35 -0.95 0.00 0.00 178.83 178.35 2aye h PHE 344 N 0.54 0.29 -0.20 2.96 3.57 -0.64 -2.65 116.94 120.80 2aye h PHE 344 Ca 0.13 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 2aye h PHE 344 Cb 0.18 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2aye h PHE 344 CO 0.01 0.39 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.25 2aye h LEU 345 N 0.11 0.33 -1.25 0.59 3.38 -1.02 0.11 115.31 117.56 2aye h LEU 345 Ca 0.06 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2aye h LEU 345 Cb 0.24 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2aye h LEU 345 CO -0.00 0.51 -0.25 0.78 0.09 0.00 0.00 178.44 179.57 2aye h ASN 346 N 0.32 0.20 0.00 -0.43 -0.26 -0.83 -3.38 115.58 111.20 2aye h ASN 346 Ca 0.06 -0.06 -0.28 0.00 -0.56 0.00 0.00 56.30 55.47 2aye h ASN 346 Cb 0.47 -0.05 -0.05 0.00 -1.06 0.00 0.00 38.32 37.62 2aye h ASN 346 CO 0.03 0.46 -2.04 0.52 -1.06 0.00 0.00 177.43 175.34 2aye n VAL 347 N -4.18 1.04 -3.45 2.81 0.31 -0.70 -4.98 118.33 109.18 2aye n VAL 347 Ca -0.01 -0.62 -0.38 0.00 -0.01 0.00 0.00 64.34 63.32 2aye n VAL 347 Cb 0.35 -0.65 -0.08 0.00 -0.91 0.00 0.00 33.84 32.56 2aye n VAL 347 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2aye s VAL 348 N -2.37 5.24 -0.18 2.52 1.01 0.31 -5.04 120.40 121.89 2aye s VAL 348 Ca -0.09 0.59 -0.29 0.00 0.00 0.00 0.00 61.98 62.19 2aye s VAL 348 Cb 0.05 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 2aye s VAL 348 CO 0.60 0.28 1.14 -0.54 0.00 0.00 0.00 175.10 176.58 2aye s LYS 349 N 1.22 4.27 -0.28 2.72 1.02 -1.26 -4.82 119.74 122.60 2aye s LYS 349 Ca 0.17 1.50 -0.28 0.00 0.02 0.00 0.00 55.97 57.38 2aye s LYS 349 Cb -0.14 -3.68 0.01 0.00 -0.52 0.00 0.00 37.83 33.50 2aye s LYS 349 CO 0.07 -0.62 1.01 0.42 -0.92 0.00 0.00 175.35 175.30 2aye s ILE 350 N 3.16 4.63 0.55 2.17 1.01 -1.26 -5.04 121.20 126.42 2aye s ILE 350 Ca 0.49 1.76 -0.19 0.00 0.00 0.00 0.00 60.65 62.70 2aye s ILE 350 Cb -0.19 -4.32 -0.08 0.00 0.01 0.00 0.00 42.46 37.89 2aye s ILE 350 CO 0.11 -0.32 0.80 -2.65 0.00 0.00 0.00 174.94 172.89 2aye n PRO 351 N 6.53 0.83 0.13 2.79 -0.02 -1.26 -4.87 135.00 139.11 2aye n PRO 351 Ca 0.10 0.31 0.11 0.00 -2.02 0.00 0.00 63.50 62.01 2aye n PRO 351 Cb 0.47 -1.95 0.49 0.00 -0.02 0.00 0.00 33.50 32.49 2aye n PRO 351 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2aye n PRO 352 N -0.40 0.18 -0.02 0.52 -0.04 -1.26 -1.61 135.00 132.37 2aye n PRO 352 Ca 0.12 0.44 0.08 0.00 -0.04 0.00 0.00 63.50 64.10 2aye n PRO 352 Cb 0.45 -1.86 0.42 0.00 -0.04 0.00 0.00 33.50 32.48 2aye n PRO 352 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2aye n THR 353 N -2.20 0.05 -4.04 0.52 -2.24 -1.26 -4.82 114.28 100.29 2aye n THR 353 Ca 0.02 -0.07 -0.16 0.00 -2.27 0.00 0.00 64.05 61.57 2aye n THR 353 Cb 0.20 -0.13 -0.15 0.00 -2.10 0.00 0.00 70.33 68.15 2aye n THR 353 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2aye s ILE 354 N -1.95 0.27 0.33 2.28 1.01 -0.63 -4.24 121.20 118.27 2aye s ILE 354 Ca 0.24 -0.09 0.09 0.00 0.00 0.00 0.00 60.65 60.89 2aye s ILE 354 Cb 0.11 -0.27 -0.05 0.00 0.01 0.00 0.00 42.46 42.26 2aye s ILE 354 CO 0.19 0.11 0.00 -0.13 0.00 0.00 0.00 174.94 175.11 2aye s ARG 355 N 0.27 2.10 0.04 2.79 0.52 -0.27 -4.72 118.95 119.68 2aye s ARG 355 Ca -0.03 -1.69 -0.03 0.00 -0.52 0.00 0.00 55.73 53.46 2aye s ARG 355 Cb -0.06 -1.96 -0.02 0.00 0.52 0.00 0.00 34.95 33.43 2aye s ARG 355 CO -0.01 0.18 0.03 -3.38 0.02 0.00 0.00 175.30 172.15 2aye s HIS 356 N -2.49 0.30 0.03 -0.53 -3.43 -1.26 -0.55 115.29 107.37 2aye s HIS 356 Ca 0.34 -0.67 0.02 0.00 -0.80 0.00 0.00 55.06 53.95 2aye s HIS 356 Cb -0.01 -0.22 -0.02 0.00 -1.43 0.00 0.00 32.58 30.90 2aye s HIS 356 CO 0.19 -0.33 -0.08 0.15 -2.00 0.00 0.00 174.74 172.67 2aye s LYS 357 N -2.76 0.55 0.12 -0.38 1.02 0.03 -4.99 119.74 113.33 2aye s LYS 357 Ca -0.04 -0.63 -0.18 0.00 0.02 0.00 0.00 55.97 55.14 2aye s LYS 357 Cb -0.00 -0.39 -0.07 0.00 -0.52 0.00 0.00 37.83 36.85 2aye s LYS 357 CO -0.05 0.08 0.59 -0.51 -0.92 0.00 0.00 175.35 174.54 2aye s LEU 358 N -1.21 4.45 0.00 3.17 1.43 -1.26 -0.56 118.68 124.69 2aye s LEU 358 Ca -0.06 1.23 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 2aye s LEU 358 Cb -0.08 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 43.03 2aye s LEU 358 CO 0.00 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.38 2aye n GLY 359 N 1.30 3.07 3.28 -3.19 0.00 -0.76 -4.96 105.19 103.93 2aye n GLY 359 Ca -0.08 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 2aye n GLY 359 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2aye s PHE 360 N -1.13 -0.14 0.15 1.61 0.40 -1.26 -1.02 117.98 116.59 2aye s PHE 360 Ca 0.00 -0.02 -0.07 0.00 -0.60 0.00 0.00 56.93 56.24 2aye s PHE 360 Cb 0.00 0.14 -0.02 0.00 0.51 0.00 0.00 43.02 43.66 2aye s PHE 360 CO 0.00 -0.56 0.22 0.00 0.70 0.00 0.00 175.22 175.58 2aye s MET 361 N -2.86 1.08 0.28 0.44 0.23 0.31 -4.89 119.30 113.89 2aye s MET 361 Ca -0.03 -1.23 -0.30 0.00 -1.03 0.00 0.00 55.69 53.10 2aye s MET 361 Cb 0.00 0.34 -0.12 0.00 -1.53 0.00 0.00 34.83 33.52 2aye s MET 361 CO -0.05 -0.37 1.60 0.43 -2.03 0.00 0.00 175.02 174.59 2aye n SER 362 N -0.18 3.81 -0.32 -1.18 7.64 -1.26 0.02 113.62 122.15 2aye n SER 362 Ca -0.07 1.14 -0.01 0.00 1.01 0.00 0.00 58.87 60.93 2aye n SER 362 Cb 0.63 -1.58 0.16 0.00 -1.01 0.00 0.00 64.21 62.41 2aye n SER 362 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2aye h MET 363 N 4.99 1.21 -1.04 1.43 4.05 -1.67 -2.90 114.93 121.00 2aye h MET 363 Ca -0.46 -0.08 0.29 0.00 -0.28 0.00 0.00 59.70 59.17 2aye h MET 363 Cb 1.22 -0.27 -0.06 0.00 -0.80 0.00 0.00 31.60 31.70 2aye h MET 363 CO 0.81 0.80 0.72 1.25 0.23 0.00 0.00 176.91 180.73 2aye h HIS 364 N 1.24 0.24 -0.07 1.39 -0.00 -1.91 -1.90 115.15 114.13 2aye h HIS 364 Ca 0.33 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.71 2aye h HIS 364 Cb -0.13 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.21 2aye h HIS 364 CO 0.00 0.03 0.00 1.28 -0.00 0.00 0.00 177.93 179.24 2aye n LEU 365 N -4.36 0.60 -0.70 0.26 4.77 -1.09 -5.28 117.00 111.20 2aye n LEU 365 Ca 0.23 -0.27 0.09 0.00 -0.03 0.00 0.00 56.01 56.03 2aye n LEU 365 Cb 1.02 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 42.13 2aye n LEU 365 CO 0.35 0.13 0.53 0.18 -1.33 0.00 0.00 177.39 177.25