#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bze n GLY -20 N 0.00 -2.24 2.52 3.17 0.00 -1.26 -4.82 105.19 102.55 2bze n GLY -20 Ca 0.00 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.06 2bze n GLY -20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bze s SER -19 N -3.27 3.04 0.00 1.61 0.01 -1.26 -4.80 113.70 109.03 2bze s SER -19 Ca 0.00 -2.34 0.07 0.00 1.31 0.00 0.00 55.95 54.99 2bze s SER -19 Cb 0.00 -0.54 0.22 0.00 0.21 0.00 0.00 66.02 65.91 2bze s SER -19 CO 0.00 -0.29 1.17 -1.54 0.41 0.00 0.00 173.24 172.99 2bze n SER -18 N 3.86 0.88 0.27 2.44 3.41 -1.26 -3.91 113.62 119.31 2bze n SER -18 Ca 0.12 -1.96 0.16 0.00 -0.26 0.00 0.00 58.87 56.93 2bze n SER -18 Cb 0.37 -0.11 0.72 0.00 -0.26 0.00 0.00 64.21 64.94 2bze n SER -18 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2bze h HIS -17 N 0.98 0.00 0.00 7.33 3.86 -1.92 -3.46 115.15 121.94 2bze h HIS -17 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2bze h HIS -17 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 2bze h HIS -17 CO 0.11 0.07 0.00 0.72 0.86 0.00 0.00 177.93 179.69 2bze n HIS -16 N -3.26 0.00 0.55 2.45 8.25 -1.25 -4.28 115.22 117.68 2bze n HIS -16 Ca -0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.58 2bze n HIS -16 Cb 0.29 0.00 0.45 0.00 1.12 0.00 0.00 29.99 31.84 2bze n HIS -16 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2bze n HIS -15 N 0.00 0.83 0.00 4.41 -0.00 -1.26 -4.92 115.22 114.28 2bze n HIS -15 Ca 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 57.72 57.99 2bze n HIS -15 Cb 0.00 -0.94 0.00 0.00 -0.00 0.00 0.00 29.99 29.05 2bze n HIS -15 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2bze n HIS -14 N -2.21 0.00 -3.27 4.41 -0.00 -1.26 -4.16 115.22 108.74 2bze n HIS -14 Ca 0.04 0.00 -0.46 0.00 -0.00 0.00 0.00 57.72 57.30 2bze n HIS -14 Cb 0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.31 2bze n HIS -14 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2bze s HIS -13 N 0.00 3.69 0.00 4.41 2.46 -1.26 -4.24 115.29 120.35 2bze s HIS -13 Ca 0.00 -1.93 0.00 0.00 0.47 0.00 0.00 55.06 53.60 2bze s HIS -13 Cb 0.00 -3.89 0.00 0.00 -0.13 0.00 0.00 32.58 28.56 2bze s HIS -13 CO 0.00 -1.07 0.00 1.58 -2.47 0.00 0.00 174.74 172.78 2bze n HIS -12 N 4.31 0.00 -0.08 3.88 -0.00 -1.26 -4.69 115.22 117.39 2bze n HIS -12 Ca 0.16 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.79 2bze n HIS -12 Cb 0.47 -0.13 -0.16 0.00 -0.00 0.00 0.00 29.99 30.18 2bze n HIS -12 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2bze n SER -11 N -1.19 0.19 -3.78 0.26 7.64 -1.26 -4.99 113.62 110.49 2bze n SER -11 Ca 0.00 0.09 -0.07 0.00 1.01 0.00 0.00 58.87 59.90 2bze n SER -11 Cb 0.00 0.80 -0.02 0.00 -1.01 0.00 0.00 64.21 63.98 2bze n SER -11 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2bze s SER -10 N -5.59 -0.28 0.00 6.43 0.01 -1.26 -5.12 113.70 107.88 2bze s SER -10 Ca -0.09 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.69 2bze s SER -10 Cb 0.07 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.95 2bze s SER -10 CO 0.83 -1.19 0.00 0.61 0.41 0.00 0.00 173.24 173.90 2bze n GLY -9 N -0.45 0.20 2.80 3.44 0.00 -1.26 -4.24 105.19 105.68 2bze n GLY -9 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 2bze n GLY -9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bze s LEU -8 N -2.64 1.49 -0.21 0.99 1.43 -1.26 -4.87 118.68 113.61 2bze s LEU -8 Ca 0.00 -0.81 -0.29 0.00 -1.03 0.00 0.00 54.13 51.99 2bze s LEU -8 Cb 0.00 -0.75 -0.00 0.00 0.03 0.00 0.00 46.19 45.46 2bze s LEU -8 CO 0.00 -0.26 1.20 -0.69 0.23 0.00 0.00 176.35 176.82 2bze s VAL -7 N 1.74 4.38 -0.41 -1.59 1.01 -1.26 -4.96 120.40 119.31 2bze s VAL -7 Ca -0.01 1.65 -0.29 0.00 0.00 0.00 0.00 61.98 63.33 2bze s VAL -7 Cb -0.17 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.08 2bze s VAL -7 CO -0.07 -0.23 1.47 -2.16 0.00 0.00 0.00 175.10 174.11 2bze s PRO -6 N 3.54 3.51 -0.01 2.72 0.04 -1.26 -4.82 135.00 138.72 2bze s PRO -6 Ca 0.51 0.97 0.01 0.00 0.04 0.00 0.00 61.00 62.53 2bze s PRO -6 Cb -0.18 -4.06 -0.26 0.00 0.04 0.00 0.00 34.50 30.04 2bze s PRO -6 CO 0.14 -1.64 0.79 0.00 0.04 0.00 0.00 177.00 176.32 2bze h ARG -5 N 11.07 0.18 -3.81 4.56 3.08 -1.92 -3.39 114.38 124.14 2bze h ARG -5 Ca -0.28 -0.31 -0.69 0.00 0.07 0.00 0.00 59.98 58.77 2bze h ARG -5 Cb 1.11 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.26 2bze h ARG -5 CO 1.09 0.99 3.24 0.41 -1.07 0.00 0.00 179.97 184.62 2bze n GLY -4 N 1.66 4.27 0.00 0.04 0.00 -1.26 -1.59 105.19 108.31 2bze n GLY -4 Ca -0.17 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.30 2bze n GLY -4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bze n SER -3 N 5.64 0.00 -4.78 1.61 2.88 -1.26 -4.93 113.62 112.78 2bze n SER -3 Ca 0.57 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.87 2bze n SER -3 Cb 0.35 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.76 2bze n SER -3 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2bze s HIS -2 N -0.42 3.06 0.34 0.66 4.02 -0.62 -5.02 115.29 117.32 2bze s HIS -2 Ca 0.00 -0.08 -0.01 0.00 1.02 0.00 0.00 55.06 55.99 2bze s HIS -2 Cb 0.00 -1.43 -0.04 0.00 -1.02 0.00 0.00 32.58 30.09 2bze s HIS -2 CO 0.00 0.53 0.56 -1.64 1.02 0.00 0.00 174.74 175.20 2bze s MET -1 N -3.39 3.51 -0.66 1.40 1.00 -1.26 -1.11 119.30 118.79 2bze s MET -1 Ca 0.31 -0.24 -0.27 0.00 0.00 0.00 0.00 55.69 55.49 2bze s MET -1 Cb -0.09 -2.65 0.03 0.00 0.00 0.00 0.00 34.83 32.12 2bze s MET -1 CO 0.23 0.15 1.21 0.54 0.00 0.00 0.00 175.02 177.15 2bze s VAL 345 N -2.29 3.91 -0.63 -6.03 0.11 0.28 -4.68 120.40 111.09 2bze s VAL 345 Ca 0.41 0.57 0.07 0.00 -2.93 0.00 0.00 61.98 60.11 2bze s VAL 345 Cb -0.10 -4.81 0.21 0.00 -1.53 0.00 0.00 36.38 30.15 2bze s VAL 345 CO 0.35 -1.58 1.18 -1.20 -3.33 0.00 0.00 175.10 170.52 2bze n SER 346 N 8.80 2.64 -4.21 3.54 7.64 -1.26 -4.76 113.62 126.00 2bze n SER 346 Ca 0.05 -2.01 -0.30 0.00 1.01 0.00 0.00 58.87 57.61 2bze n SER 346 Cb 0.49 -0.16 -0.17 0.00 -1.01 0.00 0.00 64.21 63.36 2bze n SER 346 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2bze s LEU 347 N -1.02 2.03 0.64 -3.43 1.02 -1.26 -4.99 118.68 111.66 2bze s LEU 347 Ca 0.16 -0.49 0.36 0.00 0.02 0.00 0.00 54.13 54.18 2bze s LEU 347 Cb 0.08 -1.29 2.03 0.00 0.02 0.00 0.00 46.19 47.03 2bze s LEU 347 CO 0.11 0.19 2.23 -0.65 0.02 0.00 0.00 176.35 178.24 2bze h PRO 348 N 6.40 0.00 -0.46 1.29 0.11 -1.94 -1.93 132.00 135.47 2bze h PRO 348 Ca -0.27 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.72 2bze h PRO 348 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2bze h PRO 348 CO 0.47 0.00 -0.20 0.93 -0.21 0.00 0.00 178.00 178.99 2bze h GLU 349 N 0.00 0.93 -0.04 1.05 4.39 -1.94 0.24 114.58 119.21 2bze h GLU 349 Ca 0.02 -0.38 -0.15 0.00 0.34 0.00 0.00 59.36 59.18 2bze h GLU 349 Cb 0.20 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2bze h GLU 349 CO -0.00 1.04 -0.67 0.93 -1.16 0.00 0.00 179.01 179.15 2bze h GLU 350 N 0.81 0.19 0.00 2.33 4.39 -1.78 -1.65 114.58 118.86 2bze h GLU 350 Ca 0.11 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2bze h GLU 350 Cb 0.76 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2bze h GLU 350 CO 0.06 0.79 0.00 -0.11 -1.16 0.00 0.00 179.01 178.59 2bze n LEU 351 N -3.81 0.72 0.05 1.33 7.94 -0.95 -2.67 117.00 119.61 2bze n LEU 351 Ca -0.02 0.60 -0.05 0.00 -1.11 0.00 0.00 56.01 55.43 2bze n LEU 351 Cb 0.66 -0.41 -0.09 0.00 0.53 0.00 0.00 43.42 44.11 2bze n LEU 351 CO 0.45 -0.29 -0.02 0.78 -1.11 0.00 0.00 177.39 177.19 2bze h ASN 352 N 0.00 0.00 0.63 1.96 2.35 0.39 0.99 115.58 121.91 2bze h ASN 352 Ca 0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.55 2bze h ASN 352 Cb 0.60 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 2bze h ASN 352 CO 0.00 0.84 -0.90 0.08 -1.65 0.00 0.00 177.43 175.80 2bze h ARG 353 N 0.00 0.17 -0.01 0.81 0.11 -1.25 -3.10 114.38 111.11 2bze h ARG 353 Ca -0.10 -0.19 0.00 0.00 0.10 0.00 0.00 59.98 59.79 2bze h ARG 353 Cb 1.73 0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.87 2bze h ARG 353 CO 0.09 0.96 -0.16 1.33 0.10 0.00 0.00 179.97 182.29 2bze n VAL 354 N -3.62 0.00 -1.76 0.08 0.24 -1.09 -4.72 118.33 107.46 2bze n VAL 354 Ca -0.03 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.34 61.67 2bze n VAL 354 Cb 0.82 0.46 -0.03 0.00 -1.47 0.00 0.00 33.84 33.63 2bze n VAL 354 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2bze s ARG 355 N -2.31 4.14 0.01 7.34 3.52 0.34 -2.32 118.95 129.66 2bze s ARG 355 Ca 0.29 2.57 0.05 0.00 -0.13 0.00 0.00 55.73 58.52 2bze s ARG 355 Cb 0.20 -3.08 -0.03 0.00 -1.56 0.00 0.00 34.95 30.48 2bze s ARG 355 CO 0.45 -0.73 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.56 2bze s LEU 356 N 1.10 2.77 0.33 -0.88 1.43 0.14 -4.94 118.68 118.62 2bze s LEU 356 Ca 0.74 -0.30 0.07 0.00 -1.03 0.00 0.00 54.13 53.60 2bze s LEU 356 Cb -0.49 -1.60 -0.06 0.00 0.03 0.00 0.00 46.19 44.06 2bze s LEU 356 CO 0.33 0.28 -0.03 -0.44 0.23 0.00 0.00 176.35 176.72 2bze s SER 357 N -1.26 3.13 0.22 2.29 0.01 -1.26 -4.09 113.70 112.73 2bze s SER 357 Ca 0.14 -1.26 -0.08 0.00 1.31 0.00 0.00 55.95 56.06 2bze s SER 357 Cb -0.11 -0.24 0.29 0.00 0.21 0.00 0.00 66.02 66.18 2bze s SER 357 CO 0.05 -0.38 1.78 -0.09 0.41 0.00 0.00 173.24 175.01 2bze h ARG 358 N 2.10 0.55 0.00 12.44 2.43 -1.72 -1.37 114.38 128.81 2bze h ARG 358 Ca -0.41 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.70 2bze h ARG 358 Cb 1.24 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2bze h ARG 358 CO 0.71 0.37 -0.13 1.25 -1.51 0.00 0.00 179.97 180.66 2bze h HIS 359 N 0.57 0.00 -0.05 2.20 2.76 -1.91 0.35 115.15 119.08 2bze h HIS 359 Ca 0.32 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.30 2bze h HIS 359 Cb 0.32 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.30 2bze h HIS 359 CO -0.11 0.13 -0.72 0.87 -1.30 0.00 0.00 177.93 176.79 2bze h LYS 360 N 0.00 0.57 -0.40 5.26 1.57 -1.68 -1.71 116.57 120.18 2bze h LYS 360 Ca -0.00 -0.55 -0.16 0.00 -1.87 0.00 0.00 60.65 58.07 2bze h LYS 360 Cb 0.64 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 2bze h LYS 360 CO 0.02 1.17 -0.37 -0.07 -0.57 0.00 0.00 179.45 179.63 2bze h LEU 361 N 0.17 1.01 -1.08 2.94 3.38 -0.78 -1.51 115.31 119.45 2bze h LEU 361 Ca -0.08 -0.46 0.01 0.00 0.09 0.00 0.00 57.88 57.45 2bze h LEU 361 Cb 1.39 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 2bze h LEU 361 CO 0.14 1.26 0.62 -0.08 0.09 0.00 0.00 178.44 180.48 2bze h GLU 362 N 0.78 1.24 0.00 1.13 4.81 -0.35 -0.36 114.58 121.84 2bze h GLU 362 Ca 0.07 -0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 2bze h GLU 362 Cb 0.96 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 2bze h GLU 362 CO 0.09 0.82 -0.85 0.07 -0.73 0.00 0.00 179.01 178.41 2bze h ARG 363 N 1.28 0.00 -0.00 1.92 0.11 -1.13 -3.21 114.38 113.34 2bze h ARG 363 Ca 0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.43 2bze h ARG 363 Cb -0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 30.93 2bze h ARG 363 CO -0.07 0.76 -0.07 0.91 0.10 0.00 0.00 179.97 181.59 2bze n TRP 364 N -3.27 0.00 0.32 4.08 8.01 -0.58 -3.53 117.44 122.46 2bze n TRP 364 Ca -0.00 0.00 0.21 0.00 -1.31 0.00 0.00 57.50 56.40 2bze n TRP 364 Cb 0.86 -0.26 1.10 0.00 -2.01 0.00 0.00 31.31 31.00 2bze n TRP 364 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2bze h HIS 366 N 0.00 0.00 -3.95 0.00 2.07 -1.81 -3.47 115.15 107.99 2bze h HIS 366 Ca 0.00 0.00 -0.44 0.00 -2.85 0.00 0.00 60.37 57.08 2bze h HIS 366 Cb 0.06 0.00 0.16 0.00 2.57 0.00 0.00 27.41 30.20 2bze h HIS 366 CO 0.00 0.04 0.29 -1.64 -3.07 0.00 0.00 177.93 173.55 2bze s MET 367 N -3.30 0.26 0.00 5.12 1.00 -0.18 -5.09 119.30 117.11 2bze s MET 367 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 55.69 55.65 2bze s MET 367 Cb 0.08 -1.77 0.00 0.00 0.00 0.00 0.00 34.83 33.15 2bze s MET 367 CO 0.76 -2.73 0.00 -2.30 0.00 0.00 0.00 175.02 170.76 2bze n PRO 368 N -4.07 0.33 -1.61 2.03 -0.02 -1.26 -4.89 135.00 125.51 2bze n PRO 368 Ca 0.11 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.16 2bze n PRO 368 Cb 0.59 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.04 2bze n PRO 368 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2bze n PHE 369 N -1.18 2.10 -0.13 6.00 -1.74 -1.26 -4.79 117.46 116.46 2bze n PHE 369 Ca 0.00 -0.17 0.11 0.00 -0.56 0.00 0.00 57.45 56.83 2bze n PHE 369 Cb 0.00 -2.74 0.27 0.00 1.52 0.00 0.00 39.48 38.53 2bze n PHE 369 CO 0.00 0.00 0.00 1.97 -0.56 0.00 0.00 176.76 178.17 2bze n PHE 370 N 10.47 0.78 0.01 2.97 1.16 -1.26 -4.53 117.46 127.05 2bze n PHE 370 Ca 0.28 -0.41 0.19 0.00 -1.87 0.00 0.00 57.45 55.64 2bze n PHE 370 Cb 0.42 -0.00 0.68 0.00 -1.61 0.00 0.00 39.48 38.97 2bze n PHE 370 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2bze h ALA 371 N 4.18 2.46 -0.29 1.98 0.00 -1.95 0.11 119.26 125.75 2bze h ALA 371 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2bze h ALA 371 Cb 0.97 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2bze h ALA 371 CO 0.00 -0.61 -0.36 -0.22 0.00 0.00 0.00 179.25 178.06 2bze h LYS 372 N 0.01 0.76 -0.37 0.00 3.11 -1.94 -1.63 116.57 116.53 2bze h LYS 372 Ca 0.24 -0.43 -0.12 0.00 -2.81 0.00 0.00 60.65 57.53 2bze h LYS 372 Cb 0.95 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.19 2bze h LYS 372 CO -0.01 1.06 -0.26 1.15 -2.81 0.00 0.00 179.45 178.58 2bze h THR 373 N 0.52 1.27 0.00 1.00 2.02 -1.20 -3.13 112.91 113.39 2bze h THR 373 Ca 0.04 -1.38 -0.17 0.00 0.77 0.00 0.00 66.41 65.67 2bze h THR 373 Cb 0.95 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 2bze h THR 373 CO 0.09 0.46 -1.20 -0.37 0.37 0.00 0.00 175.52 174.86 2bze h VAL 374 N 0.65 0.71 -2.67 3.16 -1.51 -0.99 -3.43 116.25 112.17 2bze h VAL 374 Ca 0.08 -2.23 -0.56 0.00 -1.23 0.00 0.00 66.70 62.77 2bze h VAL 374 Cb 0.77 2.23 -0.02 0.00 -2.13 0.00 0.00 31.29 32.14 2bze h VAL 374 CO 0.06 0.41 1.10 -0.89 -1.23 0.00 0.00 177.57 177.02 2bze s THR 375 N -2.88 3.66 0.00 7.19 2.01 -0.62 -1.29 115.64 123.72 2bze s THR 375 Ca -0.01 0.78 0.00 0.00 0.31 0.00 0.00 61.69 62.77 2bze s THR 375 Cb 0.08 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 69.02 2bze s THR 375 CO 0.80 -0.15 0.00 0.61 -0.69 0.00 0.00 174.62 175.19 2bze n GLY 376 N 4.32 2.58 3.91 4.40 0.00 0.40 -4.97 105.19 115.82 2bze n GLY 376 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 2bze n GLY 376 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bze s PHE 378 N -3.38 2.09 0.06 0.00 0.08 81.96 -0.36 117.98 198.42 2bze s PHE 378 Ca 0.60 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 57.28 2bze s PHE 378 Cb -0.11 -1.09 -0.03 0.00 -0.57 0.00 0.00 43.02 41.23 2bze s PHE 378 CO 0.48 0.35 -0.09 0.54 -0.10 0.00 0.00 175.22 176.41 2bze s VAL 379 N -1.45 0.67 -0.24 -0.44 0.11 0.40 -0.68 120.40 118.76 2bze s VAL 379 Ca 0.15 -1.24 -0.19 0.00 -2.93 0.00 0.00 61.98 57.77 2bze s VAL 379 Cb -0.09 -0.84 -0.03 0.00 -1.53 0.00 0.00 36.38 33.90 2bze s VAL 379 CO 0.07 -0.42 0.56 -0.60 -3.33 0.00 0.00 175.10 171.38 2bze s ARG 380 N -1.91 4.11 -0.09 1.54 6.06 -1.26 -0.40 118.95 127.02 2bze s ARG 380 Ca -0.06 0.43 0.04 0.00 -2.50 0.00 0.00 55.73 53.65 2bze s ARG 380 Cb -0.08 -3.63 -0.00 0.00 0.06 0.00 0.00 34.95 31.30 2bze s ARG 380 CO 0.00 -0.33 -0.23 -1.50 -2.50 0.00 0.00 175.30 170.74 2bze s ILE 381 N 2.23 1.94 -0.16 4.11 1.10 -0.11 -1.20 121.20 129.13 2bze s ILE 381 Ca 0.24 -0.96 -0.07 0.00 -0.51 0.00 0.00 60.65 59.34 2bze s ILE 381 Cb -0.16 -1.68 -0.04 0.00 0.15 0.00 0.00 42.46 40.74 2bze s ILE 381 CO 0.09 0.54 0.08 -0.83 -2.11 0.00 0.00 174.94 172.71 2bze s GLY 382 N 0.26 1.99 -0.53 1.50 0.00 -1.24 -0.33 107.32 108.96 2bze s GLY 382 Ca -0.15 -0.72 0.04 0.00 0.00 0.00 0.00 44.72 43.89 2bze s GLY 382 CO 0.07 -0.13 0.31 -0.26 0.00 0.00 0.00 173.10 173.10 2bze s ILE 383 N -0.16 2.15 0.00 0.90 -4.36 0.63 -4.71 121.20 115.65 2bze s ILE 383 Ca 0.08 -3.27 0.00 0.00 -0.26 0.00 0.00 60.65 57.20 2bze s ILE 383 Cb -0.12 -2.47 0.00 0.00 1.25 0.00 0.00 42.46 41.12 2bze s ILE 383 CO 0.01 -0.91 0.00 0.61 0.24 0.00 0.00 174.94 174.89 2bze n GLY 384 N 2.95 1.43 3.60 6.27 0.00 -1.26 -4.77 105.19 113.41 2bze n GLY 384 Ca 0.11 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 2bze n GLY 384 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bze s ASN 385 N -2.34 5.75 0.06 1.61 4.22 -1.26 -4.74 114.94 118.24 2bze s ASN 385 Ca 0.00 0.02 0.00 0.00 -2.14 0.00 0.00 52.86 50.74 2bze s ASN 385 Cb 0.00 -2.03 0.00 0.00 1.28 0.00 0.00 41.25 40.50 2bze s ASN 385 CO 0.00 0.06 0.00 1.57 -2.04 0.00 0.00 177.10 176.69 2bze n HIS 386 N 4.32 -2.23 0.15 1.54 -0.00 -1.26 -4.97 115.22 112.77 2bze n HIS 386 Ca -0.16 0.20 -0.06 0.00 0.46 0.00 0.00 57.72 58.17 2bze n HIS 386 Cb 0.52 0.83 -0.03 0.00 -0.12 0.00 0.00 29.99 31.19 2bze n HIS 386 CO 0.00 0.00 0.00 -0.97 0.46 0.00 0.00 176.34 175.83 2bze h ASN 387 N 0.00 -0.34 0.00 0.26 -1.24 -2.06 -3.47 115.58 108.74 2bze h ASN 387 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 2bze h ASN 387 Cb 0.00 0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.14 2bze h ASN 387 CO 0.00 -0.14 0.00 -0.24 -1.29 0.00 0.00 177.43 175.76 2bze n SER 388 N -3.66 0.00 -4.65 1.15 2.88 -1.26 -5.08 113.62 103.00 2bze n SER 388 Ca -0.05 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.06 2bze n SER 388 Cb 0.16 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.59 2bze n SER 388 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2bze s LYS 389 N -1.00 4.15 -0.48 -1.46 2.20 -1.26 -4.97 119.74 116.92 2bze s LYS 389 Ca 0.00 1.77 -0.25 0.00 -0.36 0.00 0.00 55.97 57.12 2bze s LYS 389 Cb 0.00 -3.86 0.03 0.00 -1.51 0.00 0.00 37.83 32.49 2bze s LYS 389 CO 0.00 -0.84 0.93 -1.25 -0.36 0.00 0.00 175.35 173.83 2bze s PRO 390 N 3.82 3.48 -0.72 4.03 0.04 -1.26 -4.13 135.00 140.26 2bze s PRO 390 Ca 0.61 0.06 -0.04 0.00 0.04 0.00 0.00 61.00 61.67 2bze s PRO 390 Cb -0.25 -3.95 0.18 0.00 0.04 0.00 0.00 34.50 30.52 2bze s PRO 390 CO 0.21 -1.28 0.56 0.08 0.04 0.00 0.00 177.00 176.61 2bze s VAL 391 N 3.79 4.15 0.20 -0.36 1.01 -1.26 -5.04 120.40 122.90 2bze s VAL 391 Ca 0.35 -3.08 0.10 0.00 0.00 0.00 0.00 61.98 59.36 2bze s VAL 391 Cb -0.11 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2bze s VAL 391 CO 0.25 -0.95 -0.17 -0.31 0.00 0.00 0.00 175.10 173.92 2bze s TYR 392 N -0.30 2.45 0.08 5.22 2.02 -1.26 -0.27 117.35 125.29 2bze s TYR 392 Ca 0.19 -0.30 -0.09 0.00 -0.37 0.00 0.00 57.07 56.50 2bze s TYR 392 Cb -0.16 -1.19 0.00 0.00 -0.40 0.00 0.00 41.96 40.21 2bze s TYR 392 CO -0.06 0.53 0.21 -0.98 -1.57 0.00 0.00 175.55 173.67 2bze s ARG 393 N -2.83 0.84 -0.03 -0.62 1.70 0.55 -4.95 118.95 113.60 2bze s ARG 393 Ca 0.23 -0.89 -0.28 0.00 -0.47 0.00 0.00 55.73 54.33 2bze s ARG 393 Cb -0.08 0.34 -0.03 0.00 -0.57 0.00 0.00 34.95 34.61 2bze s ARG 393 CO 0.13 -0.27 0.90 0.08 -1.08 0.00 0.00 175.30 175.06 2bze s VAL 394 N -3.65 4.92 -0.05 4.99 1.01 -1.26 -0.93 120.40 125.43 2bze s VAL 394 Ca 0.03 1.88 0.04 0.00 0.00 0.00 0.00 61.98 63.93 2bze s VAL 394 Cb 0.04 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.18 2bze s VAL 394 CO -0.10 0.18 -0.17 0.00 0.00 0.00 0.00 175.10 175.01 2bze s ALA 395 N 1.02 1.52 0.06 5.51 0.00 0.47 -4.50 121.76 125.84 2bze s ALA 395 Ca 0.47 -0.66 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 2bze s ALA 395 Cb -0.20 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 2bze s ALA 395 CO 0.24 0.25 0.93 -2.00 0.00 0.00 0.00 175.76 175.18 2bze s GLU 396 N 0.18 4.62 -0.19 0.00 2.12 0.14 -0.45 118.70 125.11 2bze s GLU 396 Ca -0.07 1.36 -0.23 0.00 0.36 0.00 0.00 54.97 56.39 2bze s GLU 396 Cb -0.13 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.84 2bze s GLU 396 CO 0.03 0.14 0.75 0.42 -0.54 0.00 0.00 175.26 176.06 2bze s ILE 397 N 0.33 4.93 -0.44 -3.70 1.01 0.51 -0.32 121.20 123.53 2bze s ILE 397 Ca 0.47 1.45 0.03 0.00 0.00 0.00 0.00 60.65 62.59 2bze s ILE 397 Cb -0.22 -4.06 0.12 0.00 0.01 0.00 0.00 42.46 38.32 2bze s ILE 397 CO 0.28 0.05 0.20 0.42 0.00 0.00 0.00 174.94 175.89 2bze s THR 398 N 2.10 1.85 0.18 2.92 -4.23 0.81 -0.46 115.64 118.81 2bze s THR 398 Ca 0.34 -2.63 0.00 0.00 -1.18 0.00 0.00 61.69 58.22 2bze s THR 398 Cb -0.16 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.36 2bze s THR 398 CO 0.11 -0.79 0.00 0.61 -0.54 0.00 0.00 174.62 174.01 2bze n GLY 399 N 3.66 -1.95 3.10 3.99 0.00 -1.26 -2.20 105.19 110.53 2bze n GLY 399 Ca 0.05 -1.28 -0.28 0.00 0.00 0.00 0.00 46.02 44.52 2bze n GLY 399 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bze s VAL 400 N -1.53 1.53 0.10 1.61 1.01 -1.26 -1.82 120.40 120.04 2bze s VAL 400 Ca 0.00 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.37 2bze s VAL 400 Cb 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2bze s VAL 400 CO 0.00 0.44 -0.18 0.68 0.00 0.00 0.00 175.10 176.05 2bze s VAL 401 N 0.63 2.85 0.08 2.92 -7.23 0.13 -4.92 120.40 114.86 2bze s VAL 401 Ca -0.14 -1.43 -0.06 0.00 -1.81 0.00 0.00 61.98 58.54 2bze s VAL 401 Cb -0.16 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 2bze s VAL 401 CO 0.04 0.15 0.32 -1.61 -0.31 0.00 0.00 175.10 173.69 2bze s GLU 402 N -2.00 3.60 0.41 4.82 2.02 -1.26 0.05 118.70 126.33 2bze s GLU 402 Ca 0.17 -0.09 0.08 0.00 0.02 0.00 0.00 54.97 55.15 2bze s GLU 402 Cb -0.11 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.12 2bze s GLU 402 CO 0.09 0.56 0.29 0.95 0.02 0.00 0.00 175.26 177.17 2bze s THR 403 N -1.48 2.56 -1.94 3.63 -4.23 0.19 -4.88 115.64 109.49 2bze s THR 403 Ca 0.34 -1.50 0.12 0.00 -1.18 0.00 0.00 61.69 59.48 2bze s THR 403 Cb -0.13 -3.00 0.37 0.00 1.34 0.00 0.00 72.50 71.08 2bze s THR 403 CO 0.21 -0.01 1.30 0.00 -0.54 0.00 0.00 174.62 175.58 2bze n ALA 404 N -1.40 2.47 -3.70 3.99 0.00 -1.26 -4.76 120.51 115.84 2bze n ALA 404 Ca 0.01 -0.74 -0.26 0.00 0.00 0.00 0.00 53.44 52.45 2bze n ALA 404 Cb 0.63 -0.97 -0.17 0.00 0.00 0.00 0.00 19.45 18.94 2bze n ALA 404 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2bze s LYS 405 N -1.47 0.46 -0.19 0.00 2.36 -1.26 -5.10 119.74 114.54 2bze s LYS 405 Ca 0.28 -0.22 -0.29 0.00 -2.55 0.00 0.00 55.97 53.19 2bze s LYS 405 Cb 0.15 -1.80 -0.01 0.00 -1.05 0.00 0.00 37.83 35.12 2bze s LYS 405 CO 0.18 -0.58 1.19 0.08 1.55 0.00 0.00 175.35 177.77 2bze s VAL 406 N 1.96 4.40 0.16 4.02 1.01 -1.26 -4.30 120.40 126.39 2bze s VAL 406 Ca 0.01 1.69 0.02 0.00 0.00 0.00 0.00 61.98 63.70 2bze s VAL 406 Cb -0.16 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2bze s VAL 406 CO -0.08 -0.16 0.30 -0.72 0.00 0.00 0.00 175.10 174.45 2bze s TYR 407 N 3.42 3.48 -0.76 5.22 -0.85 -0.07 -4.85 117.35 122.95 2bze s TYR 407 Ca 0.51 0.15 -0.21 0.00 -0.52 0.00 0.00 57.07 57.00 2bze s TYR 407 Cb -0.20 -1.70 0.09 0.00 0.38 0.00 0.00 41.96 40.53 2bze s TYR 407 CO 0.12 0.49 1.05 -1.14 -1.52 0.00 0.00 175.55 174.55 2bze s GLN 408 N -3.26 3.29 0.38 -3.49 -0.44 -1.26 -3.50 119.66 111.38 2bze s GLN 408 Ca 0.35 -1.13 0.08 0.00 -2.50 0.00 0.00 55.36 52.16 2bze s GLN 408 Cb -0.11 -4.51 -0.03 0.00 -1.64 0.00 0.00 33.01 26.73 2bze s GLN 408 CO 0.29 -1.83 0.32 -1.17 0.50 0.00 0.00 175.29 173.39 2bze s LEU 409 N 3.72 3.42 -0.23 3.68 2.96 -1.23 -5.02 118.68 125.98 2bze s LEU 409 Ca 0.27 -0.69 -0.38 0.00 -0.22 0.00 0.00 54.13 53.11 2bze s LEU 409 Cb -0.12 -2.03 -0.17 0.00 0.50 0.00 0.00 46.19 44.36 2bze s LEU 409 CO 0.03 -0.52 1.18 0.61 -1.32 0.00 0.00 176.35 176.33 2bze n GLY 410 N -1.44 -0.03 3.54 7.98 0.00 -1.26 -2.83 105.19 111.16 2bze n GLY 410 Ca 0.01 0.78 -0.17 0.00 0.00 0.00 0.00 46.02 46.64 2bze n GLY 410 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bze n GLY 411 N 2.46 -0.23 3.10 -0.02 0.00 -1.26 -4.84 105.19 104.40 2bze n GLY 411 Ca 0.22 0.27 -0.10 0.00 0.00 0.00 0.00 46.02 46.41 2bze n GLY 411 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bze s THR 412 N 10.94 0.47 -0.26 2.61 -1.32 -1.13 -5.14 115.64 121.81 2bze s THR 412 Ca 1.04 -1.52 0.01 0.00 -1.21 0.00 0.00 61.69 60.01 2bze s THR 412 Cb -0.33 -1.14 0.07 0.00 -1.51 0.00 0.00 72.50 69.58 2bze s THR 412 CO 0.22 -0.71 -0.03 -0.13 -2.21 0.00 0.00 174.62 171.76 2bze s ARG 413 N -2.87 1.60 -0.01 7.08 3.00 -1.26 -3.54 118.95 122.95 2bze s ARG 413 Ca 0.01 -1.17 0.01 0.00 0.00 0.00 0.00 55.73 54.57 2bze s ARG 413 Cb -0.01 -2.66 0.00 0.00 0.00 0.00 0.00 34.95 32.29 2bze s ARG 413 CO -0.04 -0.68 -0.03 -0.08 0.00 0.00 0.00 175.30 174.47 2bze s THR 414 N 1.31 0.26 -0.74 0.02 -1.32 -1.23 -4.94 115.64 109.00 2bze s THR 414 Ca -0.02 -0.11 -0.00 0.00 -1.21 0.00 0.00 61.69 60.35 2bze s THR 414 Cb -0.19 -0.25 0.37 0.00 -1.51 0.00 0.00 72.50 70.92 2bze s THR 414 CO -0.08 0.09 1.78 -0.46 -2.21 0.00 0.00 174.62 173.74 2bze n ASN 415 N 3.23 6.77 -4.08 8.08 6.94 -1.26 -0.89 115.26 134.05 2bze n ASN 415 Ca -0.16 -3.81 -0.14 0.00 -0.02 0.00 0.00 54.58 50.46 2bze n ASN 415 Cb 0.57 -0.91 -0.11 0.00 -2.36 0.00 0.00 39.78 36.97 2bze n ASN 415 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 2bze s LYS 416 N -3.94 0.58 0.19 -3.83 0.00 -1.26 0.56 119.74 112.04 2bze s LYS 416 Ca 0.51 -0.81 0.07 0.00 0.00 0.00 0.00 55.97 55.74 2bze s LYS 416 Cb 0.43 -0.36 -0.05 0.00 0.00 0.00 0.00 37.83 37.85 2bze s LYS 416 CO -0.35 0.06 -0.14 0.20 0.00 0.00 0.00 175.35 175.12 2bze s GLY 417 N -1.66 1.37 0.25 0.59 0.00 0.11 -4.44 107.32 103.53 2bze s GLY 417 Ca -0.08 -1.61 -0.03 0.00 0.00 0.00 0.00 44.72 43.00 2bze s GLY 417 CO 0.00 -1.70 0.48 1.08 0.00 0.00 0.00 173.10 172.96 2bze s LEU 418 N -3.21 4.14 -0.45 0.66 2.01 -1.05 0.22 118.68 121.00 2bze s LEU 418 Ca 0.21 0.56 -0.25 0.00 0.01 0.00 0.00 54.13 54.66 2bze s LEU 418 Cb -0.01 -3.36 0.02 0.00 0.01 0.00 0.00 46.19 42.86 2bze s LEU 418 CO 0.06 -0.13 0.89 -1.58 1.01 0.00 0.00 176.35 176.60 2bze s GLN 419 N -3.45 3.54 0.17 1.70 2.00 -0.76 -2.37 119.66 120.50 2bze s GLN 419 Ca 0.41 0.15 -0.07 0.00 -2.00 0.00 0.00 55.36 53.85 2bze s GLN 419 Cb -0.11 -3.91 -0.06 0.00 0.80 0.00 0.00 33.01 29.73 2bze s GLN 419 CO 0.29 -1.16 0.44 -0.51 -0.50 0.00 0.00 175.29 173.86 2bze s LEU 420 N 3.60 4.23 -0.05 3.68 1.43 0.48 -0.14 118.68 131.91 2bze s LEU 420 Ca 0.35 0.72 -0.02 0.00 -1.03 0.00 0.00 54.13 54.15 2bze s LEU 420 Cb -0.11 -3.44 0.04 0.00 0.03 0.00 0.00 46.19 42.70 2bze s LEU 420 CO 0.24 0.01 0.09 -0.60 0.23 0.00 0.00 176.35 176.33 2bze s ARG 421 N -2.70 -0.02 -0.77 1.70 3.52 0.56 -0.99 118.95 120.24 2bze s ARG 421 Ca 0.43 0.41 -0.07 0.00 -0.13 0.00 0.00 55.73 56.37 2bze s ARG 421 Cb -0.12 -0.37 0.20 0.00 -1.56 0.00 0.00 34.95 33.10 2bze s ARG 421 CO 0.23 -0.28 0.66 -1.58 -0.81 0.00 0.00 175.30 173.51 2bze s HIS 422 N 1.95 3.66 0.00 5.12 5.65 -0.96 0.24 115.29 130.95 2bze s HIS 422 Ca 0.01 -2.50 0.00 0.00 0.25 0.00 0.00 55.06 52.82 2bze s HIS 422 Cb -0.12 -3.47 0.00 0.00 -1.18 0.00 0.00 32.58 27.80 2bze s HIS 422 CO -0.04 -0.89 0.00 0.41 -0.65 0.00 0.00 174.74 173.57 2bze n GLY 423 N 3.43 1.38 2.99 1.59 0.00 -1.26 -2.77 105.19 110.55 2bze n GLY 423 Ca 0.13 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 2bze n GLY 423 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2bze s ASN 424 N -4.00 5.32 -0.31 1.61 3.84 -1.23 -4.81 114.94 115.35 2bze s ASN 424 Ca 0.00 -3.75 -0.01 0.00 0.21 0.00 0.00 52.86 49.31 2bze s ASN 424 Cb 0.00 -1.76 0.13 0.00 -0.55 0.00 0.00 41.25 39.07 2bze s ASN 424 CO 0.00 -0.14 0.25 -0.62 -2.79 0.00 0.00 177.10 173.81 2bze s ASP 425 N -0.82 2.28 -0.64 -4.21 2.15 -1.11 -4.98 116.67 109.34 2bze s ASP 425 Ca 0.25 -1.27 -0.16 0.00 0.43 0.00 0.00 52.55 51.81 2bze s ASP 425 Cb -0.07 0.15 0.15 0.00 -0.30 0.00 0.00 42.92 42.86 2bze s ASP 425 CO -0.14 -0.37 0.61 -1.58 -0.17 0.00 0.00 175.17 173.52 2bze s GLN 426 N 1.93 3.18 0.01 4.34 0.74 -1.26 -2.26 119.66 126.34 2bze s GLN 426 Ca 0.12 -1.90 0.00 0.00 0.05 0.00 0.00 55.36 53.63 2bze s GLN 426 Cb -0.16 -4.35 -0.01 0.00 1.10 0.00 0.00 33.01 29.60 2bze s GLN 426 CO -0.24 -1.34 -0.01 0.50 -0.55 0.00 0.00 175.29 173.65 2bze s ARG 427 N 1.28 0.12 -0.01 1.67 3.52 -0.16 -4.98 118.95 120.38 2bze s ARG 427 Ca 0.09 -0.21 -0.15 0.00 -0.13 0.00 0.00 55.73 55.32 2bze s ARG 427 Cb -0.23 0.03 -0.06 0.00 -1.56 0.00 0.00 34.95 33.13 2bze s ARG 427 CO -0.00 -0.01 0.40 0.54 -0.81 0.00 0.00 175.30 175.41 2bze s VAL 428 N -0.50 5.06 0.17 7.11 0.11 -1.26 -0.39 120.40 130.70 2bze s VAL 428 Ca -0.05 0.82 0.07 0.00 -2.93 0.00 0.00 61.98 59.88 2bze s VAL 428 Cb -0.03 -3.71 -0.04 0.00 -1.53 0.00 0.00 36.38 31.06 2bze s VAL 428 CO -0.00 0.56 -0.14 -0.36 -3.33 0.00 0.00 175.10 171.83 2bze s PHE 429 N -0.93 1.56 0.23 1.54 0.40 -1.00 -4.88 117.98 114.90 2bze s PHE 429 Ca 0.23 -0.61 0.06 0.00 -0.60 0.00 0.00 56.93 56.01 2bze s PHE 429 Cb -0.16 -0.76 -0.03 0.00 0.51 0.00 0.00 43.02 42.58 2bze s PHE 429 CO 0.13 0.25 0.26 1.03 0.70 0.00 0.00 175.22 177.59 2bze s ARG 430 N -3.43 3.17 0.47 0.44 3.00 -1.26 -2.54 118.95 118.80 2bze s ARG 430 Ca 0.18 -0.88 0.32 0.00 0.00 0.00 0.00 55.73 55.36 2bze s ARG 430 Cb -0.01 -2.74 1.48 0.00 0.00 0.00 0.00 34.95 33.68 2bze s ARG 430 CO 0.05 0.43 1.96 -0.07 0.00 0.00 0.00 175.30 177.67 2bze h LEU 431 N 1.54 0.00 -1.17 2.53 3.38 -1.97 -2.07 115.31 117.55 2bze h LEU 431 Ca -0.50 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.39 2bze h LEU 431 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2bze h LEU 431 CO 0.62 0.00 -0.35 1.05 0.09 0.00 0.00 178.44 179.85 2bze h GLU 432 N 0.00 0.12 0.00 1.13 4.11 -1.96 -2.90 114.58 115.08 2bze h GLU 432 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2bze h GLU 432 Cb 0.29 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2bze h GLU 432 CO 0.00 0.46 -1.01 1.19 0.07 0.00 0.00 179.01 179.72 2bze n PHE 433 N -4.10 0.25 -1.82 2.06 3.72 -0.78 -4.89 117.46 111.90 2bze n PHE 433 Ca -0.02 0.07 -0.42 0.00 -0.05 0.00 0.00 57.45 57.04 2bze n PHE 433 Cb 0.41 -0.42 -0.03 0.00 -0.94 0.00 0.00 39.48 38.50 2bze n PHE 433 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2bze s VAL 434 N -3.19 2.95 0.31 -4.37 1.01 -1.10 -3.70 120.40 112.32 2bze s VAL 434 Ca 0.04 0.29 -0.16 0.00 0.00 0.00 0.00 61.98 62.15 2bze s VAL 434 Cb 0.14 -3.19 -0.09 0.00 0.00 0.00 0.00 36.38 33.25 2bze s VAL 434 CO 0.80 -0.01 0.74 -0.44 0.00 0.00 0.00 175.10 176.19 2bze s SER 435 N 3.05 6.83 0.00 3.32 0.01 -0.34 -4.12 113.70 122.44 2bze s SER 435 Ca 0.79 1.31 0.19 0.00 1.31 0.00 0.00 55.95 59.55 2bze s SER 435 Cb -0.41 -2.38 0.20 0.00 0.21 0.00 0.00 66.02 63.63 2bze s SER 435 CO 0.35 -0.17 1.14 0.59 0.41 0.00 0.00 173.24 175.57 2bze n ASN 436 N -0.18 2.71 -4.78 2.44 3.02 -1.26 -3.87 115.26 113.33 2bze n ASN 436 Ca 0.03 -1.82 -0.37 0.00 -0.03 0.00 0.00 54.58 52.39 2bze n ASN 436 Cb 0.53 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.58 2bze n ASN 436 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2bze s GLN 437 N -1.50 4.56 0.75 3.52 1.11 -1.26 -4.95 119.66 121.90 2bze s GLN 437 Ca 0.24 1.27 -0.12 0.00 0.01 0.00 0.00 55.36 56.77 2bze s GLN 437 Cb 0.16 -2.87 0.05 0.00 -1.01 0.00 0.00 33.01 29.35 2bze s GLN 437 CO 0.24 0.32 1.11 -1.21 0.01 0.00 0.00 175.29 175.77 2bze s GLU 438 N -1.94 2.26 0.77 2.91 2.02 -1.26 -4.84 118.70 118.62 2bze s GLU 438 Ca 0.48 1.31 -0.11 0.00 0.02 0.00 0.00 54.97 56.67 2bze s GLU 438 Cb -0.19 -1.89 0.05 0.00 0.10 0.00 0.00 34.13 32.20 2bze s GLU 438 CO 0.24 -1.66 1.08 -0.06 0.02 0.00 0.00 175.26 174.89 2bze s PHE 439 N -2.66 2.88 0.25 1.61 0.08 -1.26 -5.08 117.98 113.80 2bze s PHE 439 Ca 0.64 1.25 0.00 0.00 0.12 0.00 0.00 56.93 58.95 2bze s PHE 439 Cb -0.19 -3.05 -0.03 0.00 -0.57 0.00 0.00 43.02 39.18 2bze s PHE 439 CO 0.51 -1.64 0.22 -0.08 -0.10 0.00 0.00 175.22 174.13 2bze s THR 440 N -3.10 0.00 0.27 0.64 -1.32 -1.26 -4.90 115.64 105.97 2bze s THR 440 Ca 0.60 -1.93 -0.02 0.00 -1.21 0.00 0.00 61.69 59.13 2bze s THR 440 Cb -0.15 -2.49 0.15 0.00 -1.51 0.00 0.00 72.50 68.51 2bze s THR 440 CO 0.55 0.00 1.81 1.05 -2.21 0.00 0.00 174.62 175.82 2bze h GLU 441 N 2.43 0.87 -0.88 7.08 4.11 -1.98 -1.21 114.58 125.02 2bze h GLU 441 Ca -0.32 -0.18 -0.02 0.00 0.07 0.00 0.00 59.36 58.91 2bze h GLU 441 Cb 1.24 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 2bze h GLU 441 CO 0.46 0.78 0.46 1.03 0.07 0.00 0.00 179.01 181.81 2bze h SER 442 N 0.84 1.12 -0.23 3.06 0.87 -1.99 0.17 113.55 117.39 2bze h SER 442 Ca 0.18 -0.12 -0.08 0.00 -1.23 0.00 0.00 61.79 60.55 2bze h SER 442 Cb 0.30 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2bze h SER 442 CO -0.00 0.91 -0.16 -0.33 -0.53 0.00 0.00 176.83 176.72 2bze h GLU 443 N 1.24 0.51 -0.60 2.24 4.39 -1.80 -1.75 114.58 118.81 2bze h GLU 443 Ca 0.31 -0.24 0.04 0.00 0.34 0.00 0.00 59.36 59.80 2bze h GLU 443 Cb 0.07 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 2bze h GLU 443 CO -0.04 0.81 0.35 0.35 -1.16 0.00 0.00 179.01 179.31 2bze h PHE 444 N 0.22 0.64 -0.41 4.33 3.04 -0.83 -2.02 116.94 121.91 2bze h PHE 444 Ca 0.05 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.03 2bze h PHE 444 Cb 0.68 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.97 2bze h PHE 444 CO 0.07 0.34 0.25 0.52 -2.02 0.00 0.00 178.31 177.47 2bze h MET 445 N 0.67 0.49 -0.65 1.11 2.86 -0.45 0.19 114.93 119.15 2bze h MET 445 Ca 0.25 -0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.95 2bze h MET 445 Cb 0.09 -0.11 -0.07 0.00 0.06 0.00 0.00 31.60 31.57 2bze h MET 445 CO -0.13 0.32 0.30 0.87 1.06 0.00 0.00 176.91 179.33 2bze h LYS 446 N 0.50 0.50 -0.17 1.72 1.57 -0.89 0.05 116.57 119.85 2bze h LYS 446 Ca 0.16 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2bze h LYS 446 Cb -0.01 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 2bze h LYS 446 CO -0.06 0.33 -0.09 2.35 -0.57 0.00 0.00 179.45 181.40 2bze h TRP 447 N 0.52 0.43 -0.72 -1.35 7.01 -0.98 -2.12 115.95 118.74 2bze h TRP 447 Ca 0.32 -0.11 0.16 0.00 2.11 0.00 0.00 58.89 61.37 2bze h TRP 447 Cb 0.36 -0.10 -0.12 0.00 -2.10 0.00 0.00 29.16 27.20 2bze h TRP 447 CO -0.13 0.69 0.09 -0.22 -2.79 0.00 0.00 178.44 176.08 2bze h LYS 448 N 0.05 0.18 -0.08 2.65 1.63 0.08 0.17 116.57 121.24 2bze h LYS 448 Ca 0.04 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.74 2bze h LYS 448 Cb 0.58 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 2bze h LYS 448 CO 0.03 0.12 -0.35 0.93 -3.45 0.00 0.00 179.45 176.73 2bze h GLU 449 N 0.18 0.16 -0.16 1.90 5.08 -0.79 -0.50 114.58 120.46 2bze h GLU 449 Ca 0.40 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.59 2bze h GLU 449 Cb 0.68 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2bze h GLU 449 CO -0.56 0.50 -0.31 0.00 -1.00 0.00 0.00 179.01 177.63 2bze h ALA 450 N 1.50 0.25 -0.36 3.43 0.00 -0.48 0.89 119.26 124.49 2bze h ALA 450 Ca 0.02 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2bze h ALA 450 Cb 0.69 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2bze h ALA 450 CO 0.05 0.28 0.10 0.52 0.00 0.00 0.00 179.25 180.20 2bze h MET 451 N 0.12 0.57 -0.66 0.00 2.86 -0.43 -0.36 114.93 117.03 2bze h MET 451 Ca 0.00 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.43 2bze h MET 451 Cb 0.91 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 2bze h MET 451 CO 0.07 0.60 0.10 0.35 1.06 0.00 0.00 176.91 179.09 2bze h PHE 452 N 0.43 1.16 -0.49 -0.22 3.57 -1.05 0.32 116.94 120.65 2bze h PHE 452 Ca 0.11 -0.16 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 2bze h PHE 452 Cb 0.28 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 2bze h PHE 452 CO 0.01 0.98 0.16 1.03 -2.23 0.00 0.00 178.31 178.26 2bze h SER 453 N 1.02 0.66 0.96 0.41 0.87 -0.53 -1.86 113.55 115.08 2bze h SER 453 Ca 0.20 -0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.56 2bze h SER 453 Cb 0.45 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 2bze h SER 453 CO 0.01 0.62 -0.51 0.00 -0.53 0.00 0.00 176.83 176.42 2bze h ALA 454 N 1.47 0.85 0.00 6.23 0.00 -0.23 -3.47 119.26 124.11 2bze h ALA 454 Ca 0.17 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2bze h ALA 454 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2bze h ALA 454 CO -0.01 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.29 2bze n GLY 455 N 0.56 0.65 3.74 0.00 0.00 -0.11 -4.95 105.19 105.08 2bze n GLY 455 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2bze n GLY 455 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bze s MET 456 N -0.83 4.67 0.48 1.61 -1.94 0.93 -4.94 119.30 119.28 2bze s MET 456 Ca 0.00 1.35 -0.19 0.00 -1.71 0.00 0.00 55.69 55.13 2bze s MET 456 Cb 0.00 -3.34 -0.09 0.00 2.01 0.00 0.00 34.83 33.41 2bze s MET 456 CO 0.00 0.32 1.00 -1.14 -0.01 0.00 0.00 175.02 175.19 2bze s GLN 457 N -0.35 3.92 0.46 2.03 0.74 -1.26 -3.83 119.66 121.37 2bze s GLN 457 Ca 0.43 1.20 -0.21 0.00 0.05 0.00 0.00 55.36 56.82 2bze s GLN 457 Cb -0.23 -2.12 -0.08 0.00 1.10 0.00 0.00 33.01 31.67 2bze s GLN 457 CO 0.28 -0.31 1.05 -0.51 -0.55 0.00 0.00 175.29 175.26 2bze s LEU 458 N -3.59 3.93 0.81 3.68 2.01 -1.26 -5.02 118.68 119.25 2bze s LEU 458 Ca 0.64 1.99 -0.11 0.00 0.01 0.00 0.00 54.13 56.65 2bze s LEU 458 Cb -0.13 -4.44 0.08 0.00 0.01 0.00 0.00 46.19 41.71 2bze s LEU 458 CO 0.21 -0.73 1.09 -2.16 1.01 0.00 0.00 176.35 175.78 2bze s PRO 459 N -3.00 2.00 0.32 1.29 0.05 -1.26 -4.84 135.00 129.57 2bze s PRO 459 Ca 0.65 0.73 0.06 0.00 0.05 0.00 0.00 61.00 62.49 2bze s PRO 459 Cb -0.19 -1.90 -0.01 0.00 0.05 0.00 0.00 34.50 32.45 2bze s PRO 459 CO 0.23 -1.71 0.46 0.95 0.05 0.00 0.00 177.00 176.98 2bze s THR 460 N -3.09 4.23 -0.83 1.26 -4.23 -1.26 -0.55 115.64 111.16 2bze s THR 460 Ca 0.61 -0.99 0.22 0.00 -1.18 0.00 0.00 61.69 60.34 2bze s THR 460 Cb -0.15 -3.47 0.20 0.00 1.34 0.00 0.00 72.50 70.42 2bze s THR 460 CO 0.55 -0.18 1.67 0.18 -0.54 0.00 0.00 174.62 176.30 2bze n LEU 461 N -1.61 0.29 -0.02 4.79 4.77 -0.27 -1.21 117.00 123.74 2bze n LEU 461 Ca -0.01 0.55 -0.17 0.00 -0.03 0.00 0.00 56.01 56.35 2bze n LEU 461 Cb 0.58 -0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 2bze n LEU 461 CO 0.42 -0.27 0.28 -0.78 -1.33 0.00 0.00 177.39 175.71 2bze h ASP 462 N 0.00 0.80 -0.28 -1.43 3.58 -1.81 -0.43 116.42 116.85 2bze h ASP 462 Ca 0.00 -0.66 -0.13 0.00 0.42 0.00 0.00 57.03 56.66 2bze h ASP 462 Cb 0.40 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.21 2bze h ASP 462 CO 0.00 1.33 -0.34 -0.08 -2.88 0.00 0.00 179.24 177.27 2bze h GLU 463 N 0.32 0.73 -0.97 0.28 4.57 -1.76 0.03 114.58 117.79 2bze h GLU 463 Ca -0.06 -0.41 0.03 0.00 -1.18 0.00 0.00 59.36 57.74 2bze h GLU 463 Cb 1.34 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.91 2bze h GLU 463 CO 0.14 1.03 0.63 0.82 -1.18 0.00 0.00 179.01 180.46 2bze h ILE 464 N 0.48 1.19 -0.64 2.32 1.08 -1.14 0.45 117.51 121.25 2bze h ILE 464 Ca 0.04 -0.43 -0.08 0.00 -0.39 0.00 0.00 64.86 64.00 2bze h ILE 464 Cb 0.92 -0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.48 2bze h ILE 464 CO 0.08 0.23 0.08 -1.13 -0.69 0.00 0.00 178.15 176.72 2bze h ASN 465 N 1.25 1.03 -0.27 1.72 -0.73 -0.55 0.15 115.58 118.18 2bze h ASN 465 Ca 0.38 -0.27 -0.07 0.00 1.87 0.00 0.00 56.30 58.21 2bze h ASN 465 Cb -0.04 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.25 2bze h ASN 465 CO -0.11 1.05 -0.05 0.11 -0.37 0.00 0.00 177.43 178.06 2bze h LYS 466 N 0.98 0.64 0.17 6.67 1.79 0.01 0.11 116.57 126.94 2bze h LYS 466 Ca 0.19 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2bze h LYS 466 Cb 0.47 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 2bze h LYS 466 CO 0.02 0.69 -0.08 0.87 -1.08 0.00 0.00 179.45 179.86 2bze h LYS 467 N 0.60 -0.22 -0.34 3.15 1.79 -0.44 -1.80 116.57 119.30 2bze h LYS 467 Ca 0.12 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.64 2bze h LYS 467 Cb 0.45 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 2bze h LYS 467 CO 0.02 0.18 0.23 1.05 -1.08 0.00 0.00 179.45 179.85 2bze h GLU 468 N -0.73 0.29 -0.70 3.15 4.11 -0.63 0.18 114.58 120.25 2bze h GLU 468 Ca -0.02 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.34 2bze h GLU 468 Cb 0.51 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2bze h GLU 468 CO 0.04 0.19 0.23 1.25 0.07 0.00 0.00 179.01 180.79 2bze h LEU 469 N 0.30 1.02 -0.56 3.06 7.12 -0.95 0.39 115.31 125.69 2bze h LEU 469 Ca 0.14 -0.20 -0.16 0.00 0.13 0.00 0.00 57.88 57.79 2bze h LEU 469 Cb 0.19 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 40.05 2bze h LEU 469 CO -0.03 0.95 -0.55 0.28 -0.13 0.00 0.00 178.44 178.95 2bze h SER 470 N 1.03 0.54 -0.15 1.25 0.02 0.16 -1.67 113.55 114.73 2bze h SER 470 Ca 0.23 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 2bze h SER 470 Cb 0.29 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 2bze h SER 470 CO -0.01 0.98 -0.03 0.40 -1.14 0.00 0.00 176.83 177.03 2bze h ILE 471 N 0.37 1.29 -0.21 3.27 2.04 -0.66 -2.26 117.51 121.36 2bze h ILE 471 Ca 0.01 -0.97 -0.10 0.00 1.00 0.00 0.00 64.86 64.79 2bze h ILE 471 Cb 1.08 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 2bze h ILE 471 CO 0.10 0.29 -0.32 0.07 0.00 0.00 0.00 178.15 178.28 2bze h LYS 472 N -0.01 0.42 -0.08 2.37 2.10 -0.80 -0.70 116.57 119.87 2bze h LYS 472 Ca 0.04 -0.18 -0.13 0.00 -2.00 0.00 0.00 60.65 58.38 2bze h LYS 472 Cb 0.45 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 2bze h LYS 472 CO 0.01 0.70 -0.54 1.05 -2.00 0.00 0.00 179.45 178.68 2bze h GLU 473 N 0.36 0.24 -0.00 0.07 4.11 -1.28 -0.76 114.58 117.31 2bze h GLU 473 Ca 0.05 -0.15 -0.00 0.00 0.07 0.00 0.00 59.36 59.33 2bze h GLU 473 Cb 0.75 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2bze h GLU 473 CO 0.06 0.72 -0.01 0.00 0.07 0.00 0.00 179.01 179.84 2bze h ALA 474 N 1.26 0.01 -0.02 1.06 0.00 -0.99 -3.22 119.26 117.35 2bze h ALA 474 Ca 0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 2bze h ALA 474 Cb 1.01 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2bze h ALA 474 CO 0.08 -0.17 -0.43 1.37 0.00 0.00 0.00 179.25 180.10 2bze h LEU 475 N -0.61 0.05 0.00 0.00 8.10 -1.17 -3.52 115.31 118.16 2bze h LEU 475 Ca -0.00 -0.02 0.00 0.00 0.11 0.00 0.00 57.88 57.97 2bze h LEU 475 Cb 0.64 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.85 2bze h LEU 475 CO 0.00 0.47 0.00 -3.20 -4.11 0.00 0.00 178.44 171.60