#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbw n ASN 2 N 0.00 1.02 0.04 7.83 0.23 -1.26 -4.83 115.26 118.29 1jbw n ASN 2 Ca 0.00 -1.94 -0.12 0.00 -0.53 0.00 0.00 54.58 52.00 1jbw n ASN 2 Cb 0.00 -0.68 -0.07 0.00 -2.08 0.00 0.00 39.78 36.95 1jbw n ASN 2 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1jbw h TYR 3 N -0.83 -0.01 -0.49 -2.53 3.20 -1.99 -0.47 116.97 113.85 1jbw h TYR 3 Ca -0.33 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.55 1jbw h TYR 3 Cb 1.14 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.39 1jbw h TYR 3 CO 0.00 -0.01 0.31 1.15 -1.64 0.00 0.00 178.16 177.97 1jbw h THR 4 N -0.01 1.10 -0.48 1.81 2.02 -1.98 -1.19 112.91 114.19 1jbw h THR 4 Ca 0.00 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 1jbw h THR 4 Cb 0.01 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1jbw h THR 4 CO -0.01 0.12 0.16 -0.33 0.37 0.00 0.00 175.52 175.83 1jbw h GLU 5 N 0.63 0.73 -0.27 6.66 5.08 -1.93 -1.70 114.58 123.78 1jbw h GLU 5 Ca 0.18 -0.15 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1jbw h GLU 5 Cb -0.05 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.03 1jbw h GLU 5 CO -0.05 0.68 -0.12 1.15 -1.00 0.00 0.00 179.01 179.67 1jbw h THR 6 N 0.64 0.62 -0.31 1.13 2.02 -0.65 0.50 112.91 116.85 1jbw h THR 6 Ca 0.16 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 1jbw h THR 6 Cb 0.25 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1jbw h THR 6 CO -0.01 0.00 0.16 0.58 0.37 0.00 0.00 175.52 176.62 1jbw h VAL 7 N -0.07 1.14 -0.64 3.16 2.07 -1.09 -0.18 116.25 120.63 1jbw h VAL 7 Ca 0.14 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 67.33 1jbw h VAL 7 Cb 0.29 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1jbw h VAL 7 CO -0.32 0.15 0.43 0.00 0.02 0.00 0.00 177.57 177.84 1jbw h ALA 8 N 1.02 1.77 -0.31 1.67 0.00 -0.57 -1.03 119.26 121.81 1jbw h ALA 8 Ca 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1jbw h ALA 8 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1jbw h ALA 8 CO -0.02 0.13 0.07 -0.92 0.00 0.00 0.00 179.25 178.51 1jbw h TYR 9 N 0.65 0.53 -0.81 0.00 3.20 0.96 -2.47 116.97 119.03 1jbw h TYR 9 Ca 0.28 -0.07 0.05 0.00 3.14 0.00 0.00 58.73 62.13 1jbw h TYR 9 Cb 0.26 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 1jbw h TYR 9 CO -0.00 0.57 0.50 0.82 -1.64 0.00 0.00 178.16 178.41 1jbw h ILE 10 N 0.34 1.05 0.00 1.81 2.04 0.16 -2.18 117.51 120.73 1jbw h ILE 10 Ca 0.10 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1jbw h ILE 10 Cb 0.31 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1jbw h ILE 10 CO 0.00 0.17 0.00 1.41 0.00 0.00 0.00 178.15 179.73 1jbw n HIS 11 N -4.64 0.00 1.13 1.37 8.25 -0.60 -3.30 115.22 117.43 1jbw n HIS 11 Ca 0.11 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.69 1jbw n HIS 11 Cb 0.15 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.46 1jbw n HIS 11 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1jbw n SER 12 N -0.96 1.39 -4.76 0.41 3.41 -0.82 -4.98 113.62 107.32 1jbw n SER 12 Ca 0.19 -1.11 -0.38 0.00 -0.26 0.00 0.00 58.87 57.31 1jbw n SER 12 Cb 0.09 0.31 0.02 0.00 -0.26 0.00 0.00 64.21 64.37 1jbw n SER 12 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1jbw s PHE 13 N -2.53 2.56 0.71 7.33 0.40 -1.21 -5.00 117.98 120.23 1jbw s PHE 13 Ca 0.21 1.45 -0.12 0.00 -0.60 0.00 0.00 56.93 57.87 1jbw s PHE 13 Cb 0.19 -3.61 0.02 0.00 0.51 0.00 0.00 43.02 40.13 1jbw s PHE 13 CO 0.56 -2.27 1.08 -1.25 0.70 0.00 0.00 175.22 174.04 1jbw s PRO 14 N -2.80 2.70 -0.55 0.24 0.04 -1.26 -4.53 135.00 128.84 1jbw s PRO 14 Ca 0.68 1.10 -0.16 0.00 0.04 0.00 0.00 61.00 62.66 1jbw s PRO 14 Cb -0.35 -1.95 0.13 0.00 0.04 0.00 0.00 34.50 32.36 1jbw s PRO 14 CO 0.42 -1.30 0.52 1.03 0.04 0.00 0.00 177.00 177.71 1jbw s ARG 15 N -4.80 3.00 0.54 4.56 1.81 -1.26 -3.90 118.95 118.89 1jbw s ARG 15 Ca 0.61 -1.69 -0.01 0.00 -1.72 0.00 0.00 55.73 52.92 1jbw s ARG 15 Cb -0.16 -4.30 0.02 0.00 -0.45 0.00 0.00 34.95 30.06 1jbw s ARG 15 CO 0.52 -1.35 0.78 -0.51 -0.68 0.00 0.00 175.30 174.07 1jbw s LEU 16 N 1.66 3.34 1.10 2.53 1.43 -1.26 -5.06 118.68 122.42 1jbw s LEU 16 Ca 0.04 0.24 -0.17 0.00 -1.03 0.00 0.00 54.13 53.21 1jbw s LEU 16 Cb -0.29 -3.09 0.12 0.00 0.03 0.00 0.00 46.19 42.95 1jbw s LEU 16 CO 0.03 -1.03 0.21 0.00 0.23 0.00 0.00 176.35 175.78 1jbw n ALA 17 N -2.35 -3.72 -3.17 4.21 0.00 -1.26 -4.93 120.51 109.29 1jbw n ALA 17 Ca 0.05 -1.16 -0.33 0.00 0.00 0.00 0.00 53.44 52.00 1jbw n ALA 17 Cb 0.59 -1.63 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 1jbw n ALA 17 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1jbw n LYS 18 N -2.40 3.45 -0.15 0.00 -0.00 -1.26 -4.94 118.16 112.87 1jbw n LYS 18 Ca 0.02 -4.67 -0.13 0.00 -0.00 0.00 0.00 58.31 53.53 1jbw n LYS 18 Cb 0.60 -2.35 -0.10 0.00 -0.00 0.00 0.00 35.03 33.18 1jbw n LYS 18 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1jbw h THR 19 N 3.14 0.00 0.00 0.58 1.35 -1.97 -3.47 112.91 112.54 1jbw h THR 19 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 1jbw h THR 19 Cb 0.60 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.02 1jbw h THR 19 CO 1.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.89 1jbw n GLY 20 N -1.36 0.76 0.68 5.82 0.00 -1.26 -4.90 105.19 104.92 1jbw n GLY 20 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.06 1jbw n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jbw n ASP 21 N 0.00 2.56 -1.82 1.61 5.75 -1.26 -4.67 116.55 118.73 1jbw n ASP 21 Ca 0.00 -1.74 -0.13 0.00 -0.01 0.00 0.00 54.79 52.91 1jbw n ASP 21 Cb 0.00 -0.10 -0.03 0.00 -1.03 0.00 0.00 41.12 39.96 1jbw n ASP 21 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1jbw n HIS 22 N 0.84 -0.82 -0.11 2.11 8.25 -1.26 -4.87 115.22 119.37 1jbw n HIS 22 Ca 0.11 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.51 1jbw n HIS 22 Cb 0.41 -2.64 0.13 0.00 1.12 0.00 0.00 29.99 29.02 1jbw n HIS 22 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1jbw h ARG 23 N 0.00 0.80 0.12 -0.41 9.65 -1.98 -1.36 114.38 121.20 1jbw h ARG 23 Ca -0.28 -0.24 -0.01 0.00 -1.10 0.00 0.00 59.98 58.35 1jbw h ARG 23 Cb 1.00 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.50 1jbw h ARG 23 CO 0.37 0.84 -0.06 0.00 2.80 0.00 0.00 179.97 183.93 1jbw h ARG 24 N 0.73 -0.16 -0.10 0.20 3.08 -1.91 -1.03 114.38 115.18 1jbw h ARG 24 Ca 0.13 0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.09 1jbw h ARG 24 Cb 0.54 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1jbw h ARG 24 CO 0.03 0.04 -0.39 0.97 -1.07 0.00 0.00 179.97 179.55 1jbw h ILE 25 N -0.34 1.30 0.00 2.04 2.10 -1.92 -1.91 117.51 118.78 1jbw h ILE 25 Ca -0.02 -1.45 -0.08 0.00 1.08 0.00 0.00 64.86 64.39 1jbw h ILE 25 Cb 0.27 1.66 -0.01 0.00 -1.09 0.00 0.00 36.82 37.65 1jbw h ILE 25 CO 0.03 0.43 -0.40 -0.07 -1.08 0.00 0.00 178.15 177.06 1jbw h LEU 26 N 0.18 0.00 -0.13 2.19 3.38 -1.13 0.33 115.31 120.13 1jbw h LEU 26 Ca 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1jbw h LEU 26 Cb 0.77 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1jbw h LEU 26 CO 0.06 0.40 -0.16 0.74 0.09 0.00 0.00 178.44 179.56 1jbw h THR 27 N 0.00 1.36 -0.15 0.22 2.02 -0.61 -0.76 112.91 114.99 1jbw h THR 27 Ca -0.00 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 65.81 1jbw h THR 27 Cb 0.71 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 69.06 1jbw h THR 27 CO 0.05 0.40 0.05 0.25 0.37 0.00 0.00 175.52 176.64 1jbw h LEU 28 N -0.06 0.21 -0.76 2.58 6.46 -0.94 -2.84 115.31 119.96 1jbw h LEU 28 Ca 0.02 -0.19 0.08 0.00 -0.12 0.00 0.00 57.88 57.67 1jbw h LEU 28 Cb 0.71 -0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 40.52 1jbw h LEU 28 CO 0.04 0.35 0.42 -0.07 -0.62 0.00 0.00 178.44 178.56 1jbw h LEU 29 N 0.06 0.60 -0.71 2.25 3.38 -0.34 -1.26 115.31 119.28 1jbw h LEU 29 Ca 0.05 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.13 1jbw h LEU 29 Cb 0.21 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1jbw h LEU 29 CO -0.00 0.35 0.40 -0.74 0.09 0.00 0.00 178.44 178.54 1jbw h HIS 30 N 0.73 0.73 0.00 1.13 2.76 -0.98 0.25 115.15 119.77 1jbw h HIS 30 Ca 0.36 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.56 1jbw h HIS 30 Cb 0.32 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.05 1jbw h HIS 30 CO -0.08 0.34 0.00 0.00 -1.30 0.00 0.00 177.93 176.89 1jbw h ALA 31 N 1.37 1.00 -0.75 5.26 0.00 -1.01 -0.80 119.26 124.34 1jbw h ALA 31 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1jbw h ALA 31 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1jbw h ALA 31 CO -0.20 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.33 1jbw n LEU 32 N -2.35 4.00 0.00 0.00 4.77 0.73 -4.93 117.00 119.22 1jbw n LEU 32 Ca 0.01 -2.00 0.00 0.00 -0.03 0.00 0.00 56.01 53.99 1jbw n LEU 32 Cb 0.18 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1jbw n LEU 32 CO 0.18 1.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.85 1jbw n GLY 33 N 1.68 0.47 3.88 -0.72 0.00 -0.30 -4.30 105.19 105.91 1jbw n GLY 33 Ca 0.25 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 1jbw n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jbw n ASN 34 N 1.80 -1.74 0.20 1.61 3.02 -0.24 -4.89 115.26 115.04 1jbw n ASN 34 Ca 0.00 -0.90 0.18 0.00 -0.03 0.00 0.00 54.58 53.83 1jbw n ASN 34 Cb 0.17 -3.54 0.83 0.00 -0.61 0.00 0.00 39.78 36.63 1jbw n ASN 34 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1jbw h PRO 35 N -1.86 0.00 0.00 3.52 0.13 -1.79 -1.18 132.00 130.82 1jbw h PRO 35 Ca -0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1jbw h PRO 35 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1jbw h PRO 35 CO 0.63 0.00 0.00 -0.56 -0.23 0.00 0.00 178.00 177.84 1jbw h GLN 36 N 0.00 0.00 -0.02 0.86 -0.00 -1.90 -2.32 115.11 111.74 1jbw h GLN 36 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.74 1jbw h GLN 36 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.03 1jbw h GLN 36 CO -0.00 0.00 -0.05 1.04 -0.00 0.00 0.00 178.83 179.81 1jbw n GLN 37 N -3.07 1.58 -4.33 0.06 6.02 -0.45 -4.69 117.38 112.50 1jbw n GLN 37 Ca -0.01 -0.98 -0.26 0.00 -0.01 0.00 0.00 57.00 55.74 1jbw n GLN 37 Cb 0.22 -1.48 -0.10 0.00 1.02 0.00 0.00 30.24 29.91 1jbw n GLN 37 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1jbw s GLN 38 N -2.10 1.93 1.54 -1.09 -0.21 -0.87 -5.04 119.66 113.82 1jbw s GLN 38 Ca 0.34 -1.38 0.00 0.00 0.02 0.00 0.00 55.36 54.34 1jbw s GLN 38 Cb 0.21 -2.06 0.00 0.00 1.00 0.00 0.00 33.01 32.16 1jbw s GLN 38 CO 0.37 0.41 0.00 0.41 -2.12 0.00 0.00 175.29 174.36 1jbw n GLY 39 N -0.05 -1.71 3.30 3.09 0.00 -1.26 -4.95 105.19 103.61 1jbw n GLY 39 Ca -0.10 -1.35 -0.21 0.00 0.00 0.00 0.00 46.02 44.37 1jbw n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jbw s ARG 40 N 0.00 1.18 0.05 1.61 0.52 -1.26 -5.08 118.95 115.98 1jbw s ARG 40 Ca 0.00 -1.34 -0.02 0.00 -0.52 0.00 0.00 55.73 53.85 1jbw s ARG 40 Cb 0.00 -1.20 -0.03 0.00 0.52 0.00 0.00 34.95 34.24 1jbw s ARG 40 CO 0.00 0.24 0.00 0.71 0.02 0.00 0.00 175.30 176.27 1jbw s TYR 41 N -2.02 0.45 -0.11 -0.53 1.51 -1.26 -1.65 117.35 113.75 1jbw s TYR 41 Ca 0.13 -0.96 0.00 0.00 -1.01 0.00 0.00 57.07 55.23 1jbw s TYR 41 Cb -0.06 -0.33 0.02 0.00 -0.11 0.00 0.00 41.96 41.48 1jbw s TYR 41 CO 0.05 -0.39 -0.10 0.42 -1.11 0.00 0.00 175.55 174.43 1jbw s ILE 42 N -3.74 1.13 -0.20 2.71 1.01 -0.55 -0.12 121.20 121.44 1jbw s ILE 42 Ca 0.05 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.26 1jbw s ILE 42 Cb 0.06 -1.10 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 1jbw s ILE 42 CO -0.09 0.38 0.04 -2.28 0.00 0.00 0.00 174.94 172.98 1jbw s HIS 43 N 1.45 3.12 -0.13 3.97 2.46 -0.94 -0.36 115.29 124.86 1jbw s HIS 43 Ca 0.01 -0.24 0.03 0.00 0.47 0.00 0.00 55.06 55.32 1jbw s HIS 43 Cb -0.13 -2.12 0.01 0.00 -0.13 0.00 0.00 32.58 30.21 1jbw s HIS 43 CO -0.06 -0.12 -0.21 0.08 -2.47 0.00 0.00 174.74 171.96 1jbw s VAL 44 N 0.92 1.96 0.33 0.89 1.01 0.28 -0.59 120.40 125.20 1jbw s VAL 44 Ca 0.03 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.12 1jbw s VAL 44 Cb -0.14 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1jbw s VAL 44 CO 0.02 0.53 0.18 0.28 0.00 0.00 0.00 175.10 176.12 1jbw s THR 45 N 0.77 0.30 0.00 3.92 -1.32 0.22 -1.11 115.64 118.42 1jbw s THR 45 Ca -0.09 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.39 1jbw s THR 45 Cb -0.16 -2.47 0.00 0.00 -1.51 0.00 0.00 72.50 68.36 1jbw s THR 45 CO -0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1jbw n GLY 46 N -0.66 4.56 0.16 6.08 0.00 -1.26 -1.51 105.19 112.56 1jbw n GLY 46 Ca 0.01 -1.31 -0.14 0.00 0.00 0.00 0.00 46.02 44.59 1jbw n GLY 46 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jbw h THR 47 N 3.47 0.80 -4.07 2.61 2.02 -1.09 -3.43 112.91 113.23 1jbw h THR 47 Ca 0.00 -0.26 -0.45 0.00 0.77 0.00 0.00 66.41 66.47 1jbw h THR 47 Cb 0.00 0.95 -0.26 0.00 -1.74 0.00 0.00 68.15 67.11 1jbw h THR 47 CO 0.00 0.06 -0.80 0.20 0.37 0.00 0.00 175.52 175.35 1jbw s ASN 48 N -5.01 1.63 0.00 4.18 0.01 -1.26 -4.85 114.94 109.63 1jbw s ASN 48 Ca -0.15 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 51.59 1jbw s ASN 48 Cb 0.04 -0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.58 1jbw s ASN 48 CO 0.62 0.06 0.00 0.61 -1.51 0.00 0.00 177.10 176.88 1jbw n GLY 49 N 2.08 0.66 0.38 0.66 0.00 -1.26 -4.42 105.19 103.29 1jbw n GLY 49 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 1jbw n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jbw h LYS 50 N 4.39 -0.87 -0.35 1.61 1.57 -1.85 -1.44 116.57 119.63 1jbw h LYS 50 Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1jbw h LYS 50 Cb 0.00 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1jbw h LYS 50 CO 0.00 -0.58 0.22 0.78 -0.57 0.00 0.00 179.45 179.30 1jbw h GLY 51 N -0.90 0.50 1.00 3.86 0.00 -1.94 0.22 103.07 105.81 1jbw h GLY 51 Ca -0.08 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1jbw h GLY 51 CO 0.11 0.19 0.43 1.76 0.00 0.00 0.00 176.54 179.04 1jbw h SER 52 N 0.46 0.80 0.03 0.19 0.02 -1.98 0.28 113.55 113.34 1jbw h SER 52 Ca 0.13 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1jbw h SER 52 Cb -0.02 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.32 1jbw h SER 52 CO -0.03 0.60 -0.02 0.00 -1.14 0.00 0.00 176.83 176.25 1jbw h ALA 53 N 1.23 -0.04 -0.55 3.77 0.00 -1.02 -2.33 119.26 120.32 1jbw h ALA 53 Ca 0.25 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1jbw h ALA 53 Cb -0.07 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1jbw h ALA 53 CO -0.05 -0.38 0.28 0.00 0.00 0.00 0.00 179.25 179.09 1jbw h ALA 54 N 0.63 0.71 -0.51 0.00 0.00 -0.28 -0.26 119.26 119.55 1jbw h ALA 54 Ca -0.00 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1jbw h ALA 54 Cb 0.30 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1jbw h ALA 54 CO 0.01 -0.07 0.27 -0.97 0.00 0.00 0.00 179.25 178.49 1jbw h ASN 55 N 0.53 0.41 -0.29 0.00 -1.24 -0.42 -1.84 115.58 112.73 1jbw h ASN 55 Ca 0.25 0.02 -0.15 0.00 0.71 0.00 0.00 56.30 57.12 1jbw h ASN 55 Cb 0.17 -0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.16 1jbw h ASN 55 CO -0.18 0.28 -0.42 0.00 -1.29 0.00 0.00 177.43 175.82 1jbw h ALA 56 N 1.26 0.44 -0.52 1.57 0.00 -0.89 -1.81 119.26 119.31 1jbw h ALA 56 Ca 0.22 -0.46 0.06 0.00 0.00 0.00 0.00 54.91 54.73 1jbw h ALA 56 Cb 0.11 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1jbw h ALA 56 CO -0.14 0.56 0.21 0.82 0.00 0.00 0.00 179.25 180.70 1jbw h ILE 57 N 0.55 0.86 -0.41 0.00 2.04 -0.87 -0.22 117.51 119.47 1jbw h ILE 57 Ca 0.03 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1jbw h ILE 57 Cb 1.02 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1jbw h ILE 57 CO 0.10 0.07 0.26 0.00 0.00 0.00 0.00 178.15 178.58 1jbw h ALA 58 N 1.33 0.52 -0.72 1.87 0.00 -1.24 -1.70 119.26 119.32 1jbw h ALA 58 Ca 0.25 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1jbw h ALA 58 Cb 0.24 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1jbw h ALA 58 CO -0.23 -0.00 0.47 0.45 0.00 0.00 0.00 179.25 179.94 1jbw h HIS 59 N 0.55 0.88 -0.18 0.00 3.86 -0.40 0.07 115.15 119.93 1jbw h HIS 59 Ca 0.15 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 1jbw h HIS 59 Cb -0.03 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.14 1jbw h HIS 59 CO -0.04 0.54 0.04 0.28 0.86 0.00 0.00 177.93 179.61 1jbw h VAL 60 N 0.94 1.21 0.00 2.45 2.07 -0.88 0.00 116.25 122.04 1jbw h VAL 60 Ca 0.27 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 67.03 1jbw h VAL 60 Cb -0.07 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1jbw h VAL 60 CO -0.07 0.21 -0.39 -0.07 0.02 0.00 0.00 177.57 177.26 1jbw h LEU 61 N 0.09 0.00 -0.30 2.57 3.38 -1.18 -2.24 115.31 117.64 1jbw h LEU 61 Ca 0.06 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1jbw h LEU 61 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1jbw h LEU 61 CO 0.00 0.39 -0.19 -0.33 0.09 0.00 0.00 178.44 178.40 1jbw h GLU 62 N 0.00 0.65 -0.66 1.13 5.08 -0.81 -2.55 114.58 117.42 1jbw h GLU 62 Ca -0.00 -0.30 0.04 0.00 -1.00 0.00 0.00 59.36 58.09 1jbw h GLU 62 Cb 0.72 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1jbw h GLU 62 CO 0.05 0.90 0.44 0.00 -1.00 0.00 0.00 179.01 179.40 1jbw h ALA 63 N 0.74 1.65 0.00 3.43 0.00 -0.55 -0.74 119.26 123.79 1jbw h ALA 63 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jbw h ALA 63 Cb 0.73 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1jbw h ALA 63 CO 0.05 0.28 0.00 -1.13 0.00 0.00 0.00 179.25 178.45 1jbw n SER 64 N -4.46 0.00 0.00 0.00 3.41 -0.88 -4.87 113.62 106.82 1jbw n SER 64 Ca 0.08 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 1jbw n SER 64 Cb 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1jbw n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jbw n GLY 65 N 0.48 0.98 3.93 5.00 0.00 -0.28 -4.99 105.19 110.30 1jbw n GLY 65 Ca 0.17 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1jbw n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jbw s LEU 66 N 0.00 4.24 -0.28 0.99 1.43 -0.98 -5.04 118.68 119.04 1jbw s LEU 66 Ca 0.00 0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 53.34 1jbw s LEU 66 Cb 0.00 -3.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 1jbw s LEU 66 CO 0.00 -0.02 0.39 -0.89 0.23 0.00 0.00 176.35 176.05 1jbw s THR 67 N -1.84 5.16 -0.11 5.49 2.01 -1.26 -4.35 115.64 120.74 1jbw s THR 67 Ca 0.38 0.54 0.04 0.00 0.31 0.00 0.00 61.69 62.95 1jbw s THR 67 Cb -0.11 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.67 1jbw s THR 67 CO 0.29 0.11 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.41 1jbw s VAL 68 N 2.10 2.02 0.15 3.82 1.01 -1.26 -0.92 120.40 127.32 1jbw s VAL 68 Ca 0.15 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.94 1jbw s VAL 68 Cb -0.16 -1.76 -0.07 0.00 0.00 0.00 0.00 36.38 34.38 1jbw s VAL 68 CO 0.10 0.55 0.66 -0.83 0.00 0.00 0.00 175.10 175.58 1jbw s GLY 69 N 0.49 2.69 -0.07 4.51 0.00 -0.02 -0.44 107.32 114.47 1jbw s GLY 69 Ca -0.15 0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.70 1jbw s GLY 69 CO 0.06 0.53 -0.06 -2.27 0.00 0.00 0.00 173.10 171.36 1jbw s LEU 70 N -1.48 1.19 -0.26 0.66 2.96 0.76 0.08 118.68 122.58 1jbw s LEU 70 Ca 0.36 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.09 1jbw s LEU 70 Cb -0.19 -0.63 0.07 0.00 0.50 0.00 0.00 46.19 45.93 1jbw s LEU 70 CO 0.21 -0.09 -0.08 -0.47 -1.32 0.00 0.00 176.35 174.61 1jbw s TYR 71 N 1.32 3.14 0.24 5.38 5.04 0.16 -1.36 117.35 131.27 1jbw s TYR 71 Ca -0.04 -2.29 0.01 0.00 -2.44 0.00 0.00 57.07 52.31 1jbw s TYR 71 Cb -0.14 -1.97 -0.05 0.00 0.35 0.00 0.00 41.96 40.15 1jbw s TYR 71 CO -0.03 -0.87 0.08 0.95 -1.34 0.00 0.00 175.55 174.34 1jbw s THR 72 N 1.14 0.58 -0.04 4.34 -4.23 -0.97 -1.08 115.64 115.37 1jbw s THR 72 Ca -0.06 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.17 1jbw s THR 72 Cb -0.20 -2.55 0.06 0.00 1.34 0.00 0.00 72.50 71.16 1jbw s THR 72 CO -0.06 -0.08 0.61 -0.94 -0.54 0.00 0.00 174.62 173.61 1jbw s SER 73 N -3.29 -0.57 0.68 3.99 1.04 -1.26 -4.45 113.70 109.83 1jbw s SER 73 Ca 0.35 0.60 -0.05 0.00 0.48 0.00 0.00 55.95 57.34 1jbw s SER 73 Cb 0.07 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.75 1jbw s SER 73 CO 0.12 -0.58 0.97 -2.16 0.98 0.00 0.00 173.24 172.56 1jbw s PRO 74 N -1.22 2.22 0.63 4.02 0.04 -1.26 -4.92 135.00 134.51 1jbw s PRO 74 Ca -0.11 -0.42 -0.13 0.00 0.04 0.00 0.00 61.00 60.38 1jbw s PRO 74 Cb -0.01 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 1jbw s PRO 74 CO 0.09 -1.15 1.05 -0.59 0.04 0.00 0.00 177.00 176.43 1jbw s PHE 75 N -3.14 3.19 -0.17 0.56 -0.12 -1.26 -4.97 117.98 112.07 1jbw s PHE 75 Ca 0.60 1.44 -0.10 0.00 -0.05 0.00 0.00 56.93 58.82 1jbw s PHE 75 Cb -0.10 -2.88 -0.07 0.00 -0.63 0.00 0.00 43.02 39.33 1jbw s PHE 75 CO 0.43 -1.01 -0.24 -0.89 -0.05 0.00 0.00 175.22 173.47 1jbw n ILE 76 N -2.54 1.10 -0.14 -4.49 2.08 -1.26 -4.87 119.36 109.24 1jbw n ILE 76 Ca 0.08 -0.16 -0.28 0.00 0.56 0.00 0.00 62.75 62.95 1jbw n ILE 76 Cb 0.53 -1.82 -0.10 0.00 -0.75 0.00 0.00 39.64 37.50 1jbw n ILE 76 CO 0.00 0.00 0.00 0.23 0.56 0.00 0.00 176.55 177.34 1jbw n MET 77 N -3.89 0.59 -3.81 0.38 2.81 -1.26 -4.72 117.12 107.21 1jbw n MET 77 Ca -0.31 0.24 -0.11 0.00 -1.81 0.00 0.00 57.70 55.71 1jbw n MET 77 Cb 0.67 -1.48 -0.08 0.00 -0.71 0.00 0.00 33.22 31.63 1jbw n MET 77 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1jbw s ARG 78 N -2.50 0.72 0.26 0.03 1.70 -1.26 -5.01 118.95 112.89 1jbw s ARG 78 Ca -0.38 -0.57 -0.09 0.00 -0.47 0.00 0.00 55.73 54.22 1jbw s ARG 78 Cb 0.14 0.31 0.40 0.00 -0.57 0.00 0.00 34.95 35.23 1jbw s ARG 78 CO 0.49 -0.22 1.58 0.35 -1.08 0.00 0.00 175.30 176.43 1jbw h PHE 79 N 3.42 -0.47 -1.36 5.89 3.57 -1.96 -2.21 116.94 123.81 1jbw h PHE 79 Ca -0.32 0.08 0.40 0.00 3.53 0.00 0.00 57.97 61.66 1jbw h PHE 79 Cb 1.19 0.35 -0.05 0.00 2.79 0.00 0.00 35.95 40.22 1jbw h PHE 79 CO 0.49 -0.39 1.05 -0.91 -2.23 0.00 0.00 178.31 176.32 1jbw h ASN 80 N 0.00 0.00 -0.04 0.41 4.21 -1.94 -0.64 115.58 117.57 1jbw h ASN 80 Ca 0.43 0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.96 1jbw h ASN 80 Cb 0.67 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.86 1jbw h ASN 80 CO -0.92 0.00 0.12 -0.33 -1.29 0.00 0.00 177.43 175.01 1jbw h GLU 81 N 0.00 0.00 0.00 0.81 5.08 -1.75 -2.49 114.58 116.23 1jbw h GLU 81 Ca 0.65 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.97 1jbw h GLU 81 Cb 2.73 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.98 1jbw h GLU 81 CO -0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 179.01 177.83 1jbw h ARG 82 N 0.00 0.00 -4.17 2.33 3.08 -1.32 -3.39 114.38 110.90 1jbw h ARG 82 Ca 0.02 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.47 1jbw h ARG 82 Cb 0.26 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.92 1jbw h ARG 82 CO -0.00 0.17 -0.77 0.42 -1.07 0.00 0.00 179.97 178.73 1jbw s ILE 83 N -4.37 1.42 0.14 2.04 1.01 -0.94 -2.30 121.20 118.20 1jbw s ILE 83 Ca -0.03 -1.36 0.11 0.00 0.00 0.00 0.00 60.65 59.37 1jbw s ILE 83 Cb 0.14 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 1jbw s ILE 83 CO 0.65 -0.29 -0.26 -0.04 0.00 0.00 0.00 174.94 174.99 1jbw s MET 84 N 1.41 1.42 -0.10 2.79 -1.94 -0.46 -0.87 119.30 121.54 1jbw s MET 84 Ca -0.00 -1.38 -0.00 0.00 -1.71 0.00 0.00 55.69 52.60 1jbw s MET 84 Cb -0.18 -1.87 0.02 0.00 2.01 0.00 0.00 34.83 34.80 1jbw s MET 84 CO -0.10 0.44 -0.08 0.42 -0.01 0.00 0.00 175.02 175.68 1jbw s ILE 85 N -1.19 1.03 -1.50 2.53 1.01 -0.75 -0.17 121.20 122.15 1jbw s ILE 85 Ca 0.15 -0.31 -0.10 0.00 0.00 0.00 0.00 60.65 60.39 1jbw s ILE 85 Cb -0.10 -1.03 0.07 0.00 0.01 0.00 0.00 42.46 41.42 1jbw s ILE 85 CO 0.07 0.36 0.82 0.47 0.00 0.00 0.00 174.94 176.66 1jbw n ASP 86 N 4.77 -3.21 -1.80 3.58 8.00 0.41 -1.46 116.55 126.84 1jbw n ASP 86 Ca -0.14 -0.86 -0.20 0.00 0.71 0.00 0.00 54.79 54.30 1jbw n ASP 86 Cb 0.50 -3.60 -0.07 0.00 -0.02 0.00 0.00 41.12 37.94 1jbw n ASP 86 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1jbw n HIS 87 N -4.52 -0.31 -3.92 1.24 8.25 -1.26 -4.99 115.22 109.71 1jbw n HIS 87 Ca -0.07 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.04 1jbw n HIS 87 Cb 0.57 -3.50 -0.13 0.00 1.12 0.00 0.00 29.99 28.05 1jbw n HIS 87 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1jbw s GLU 88 N -4.05 3.54 0.62 -0.41 2.12 -0.54 -5.04 118.70 114.95 1jbw s GLU 88 Ca 0.00 -0.54 -0.19 0.00 0.36 0.00 0.00 54.97 54.60 1jbw s GLU 88 Cb 0.00 -3.13 -0.02 0.00 0.26 0.00 0.00 34.13 31.24 1jbw s GLU 88 CO 0.00 -0.12 1.29 -2.14 -0.54 0.00 0.00 175.26 173.75 1jbw s PRO 89 N 1.35 2.70 0.10 4.30 0.02 -1.26 -1.82 135.00 140.40 1jbw s PRO 89 Ca 0.04 2.06 -0.35 0.00 0.02 0.00 0.00 61.00 62.78 1jbw s PRO 89 Cb -0.15 -1.92 -0.14 0.00 0.02 0.00 0.00 34.50 32.31 1jbw s PRO 89 CO 0.01 -1.48 1.58 1.51 -0.33 0.00 0.00 177.00 178.28 1jbw n ILE 90 N -1.72 0.08 -1.73 2.83 3.06 -0.05 -4.88 119.36 116.95 1jbw n ILE 90 Ca 0.15 -0.01 -0.40 0.00 -2.50 0.00 0.00 62.75 59.99 1jbw n ILE 90 Cb 0.48 -1.44 0.03 0.00 0.54 0.00 0.00 39.64 39.25 1jbw n ILE 90 CO 0.00 0.00 0.00 -2.65 -2.50 0.00 0.00 176.55 171.40 1jbw n PRO 91 N 3.71 1.85 -0.13 9.51 -0.02 -1.26 -4.76 135.00 143.89 1jbw n PRO 91 Ca 0.18 0.67 -0.05 0.00 -2.02 0.00 0.00 63.50 62.28 1jbw n PRO 91 Cb 0.27 -2.51 0.02 0.00 -0.02 0.00 0.00 33.50 31.25 1jbw n PRO 91 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1jbw h ASP 92 N 1.77 -0.70 -0.95 2.55 5.19 -2.00 0.66 116.42 122.95 1jbw h ASP 92 Ca -0.50 0.16 0.04 0.00 -0.62 0.00 0.00 57.03 56.12 1jbw h ASP 92 Cb 1.30 0.38 -0.06 0.00 0.18 0.00 0.00 39.33 41.13 1jbw h ASP 92 CO 0.58 -0.23 0.61 0.00 -3.12 0.00 0.00 179.24 177.08 1jbw h ALA 93 N 1.19 1.27 -0.41 3.45 0.00 -2.00 -1.05 119.26 121.71 1jbw h ALA 93 Ca 0.21 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1jbw h ALA 93 Cb 0.44 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1jbw h ALA 93 CO -0.51 0.46 -0.16 0.00 0.00 0.00 0.00 179.25 179.03 1jbw h ALA 94 N 1.40 0.94 -0.38 0.00 0.00 -1.58 -1.99 119.26 117.65 1jbw h ALA 94 Ca 0.39 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1jbw h ALA 94 Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1jbw h ALA 94 CO -0.14 0.61 -0.23 1.25 0.00 0.00 0.00 179.25 180.74 1jbw h LEU 95 N 0.69 0.77 -0.15 0.00 5.85 -0.13 -0.43 115.31 121.90 1jbw h LEU 95 Ca 0.11 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1jbw h LEU 95 Cb 0.66 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1jbw h LEU 95 CO 0.05 0.98 0.10 0.58 -0.34 0.00 0.00 178.44 179.80 1jbw h VAL 96 N 0.66 1.05 -0.23 1.05 2.07 -0.94 0.83 116.25 120.74 1jbw h VAL 96 Ca 0.09 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 1jbw h VAL 96 Cb 0.74 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1jbw h VAL 96 CO 0.06 0.05 -0.23 0.78 0.02 0.00 0.00 177.57 178.25 1jbw h ASN 97 N 0.19 0.41 -0.04 0.57 2.35 -1.19 -1.70 115.58 116.17 1jbw h ASN 97 Ca 0.05 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1jbw h ASN 97 Cb -0.01 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 1jbw h ASN 97 CO -0.01 0.64 -0.03 0.00 -1.65 0.00 0.00 177.43 176.38 1jbw h ALA 98 N 1.39 0.05 -0.99 -0.83 0.00 -0.78 -1.78 119.26 116.33 1jbw h ALA 98 Ca 0.06 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.79 1jbw h ALA 98 Cb 0.60 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1jbw h ALA 98 CO 0.04 -0.18 0.64 0.28 0.00 0.00 0.00 179.25 180.03 1jbw h VAL 99 N -0.35 1.07 -0.59 0.00 2.07 -0.77 -1.12 116.25 116.55 1jbw h VAL 99 Ca 0.01 -0.39 -0.11 0.00 0.82 0.00 0.00 66.70 67.03 1jbw h VAL 99 Cb 0.51 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1jbw h VAL 99 CO 0.01 0.21 -0.05 0.00 0.02 0.00 0.00 177.57 177.76 1jbw h ALA 100 N 1.47 0.80 0.10 1.67 0.00 -1.20 0.49 119.26 122.61 1jbw h ALA 100 Ca 0.43 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1jbw h ALA 100 Cb 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jbw h ALA 100 CO -0.18 0.68 -0.05 0.35 0.00 0.00 0.00 179.25 180.05 1jbw h PHE 101 N 0.96 -0.13 -0.62 0.00 3.57 -0.51 -0.90 116.94 119.31 1jbw h PHE 101 Ca 0.16 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1jbw h PHE 101 Cb 0.61 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 1jbw h PHE 101 CO 0.04 0.09 0.31 0.28 -2.23 0.00 0.00 178.31 176.81 1jbw h VAL 102 N -0.33 1.21 -0.34 1.41 2.07 -1.18 -1.85 116.25 117.24 1jbw h VAL 102 Ca -0.01 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 66.95 1jbw h VAL 102 Cb 0.28 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1jbw h VAL 102 CO 0.02 0.24 0.13 -0.09 0.02 0.00 0.00 177.57 177.90 1jbw h ARG 103 N 0.85 0.28 -0.29 1.57 2.43 -0.82 0.13 114.38 118.53 1jbw h ARG 103 Ca 0.22 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.41 1jbw h ARG 103 Cb 0.10 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 1jbw h ARG 103 CO -0.03 0.19 0.05 0.00 -1.51 0.00 0.00 179.97 178.67 1jbw h ALA 104 N 1.20 0.30 -0.74 2.80 0.00 -0.76 0.32 119.26 122.38 1jbw h ALA 104 Ca 0.15 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1jbw h ALA 104 Cb 0.10 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1jbw h ALA 104 CO -0.14 -0.36 0.42 0.00 0.00 0.00 0.00 179.25 179.17 1jbw h ALA 105 N 1.22 0.94 -0.41 0.00 0.00 -0.82 -1.48 119.26 118.72 1jbw h ALA 105 Ca 0.14 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1jbw h ALA 105 Cb 0.15 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1jbw h ALA 105 CO -0.19 0.43 0.20 1.25 0.00 0.00 0.00 179.25 180.95 1jbw h LEU 106 N 1.01 0.30 -0.57 0.00 5.85 -0.05 -1.65 115.31 120.20 1jbw h LEU 106 Ca 0.26 0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.04 1jbw h LEU 106 Cb 0.00 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1jbw h LEU 106 CO -0.05 0.22 0.33 -0.33 -0.34 0.00 0.00 178.44 178.27 1jbw h GLU 107 N 0.41 0.62 -0.61 1.25 5.08 0.26 -0.92 114.58 120.68 1jbw h GLU 107 Ca 0.17 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1jbw h GLU 107 Cb 0.08 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1jbw h GLU 107 CO -0.12 0.41 0.38 0.00 -1.00 0.00 0.00 179.01 178.68 1jbw h ARG 108 N 0.64 0.82 -0.52 2.33 3.08 -0.75 0.43 114.38 120.41 1jbw h ARG 108 Ca 0.24 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 60.11 1jbw h ARG 108 Cb 0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1jbw h ARG 108 CO -0.13 0.56 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.11 1jbw h LEU 109 N 0.84 1.03 -0.88 3.04 3.38 -0.36 -2.76 115.31 119.59 1jbw h LEU 109 Ca 0.22 -0.37 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 1jbw h LEU 109 Cb -0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 1jbw h LEU 109 CO -0.04 1.17 -0.50 1.56 0.09 0.00 0.00 178.44 180.71 1jbw h GLN 110 N 0.89 0.13 0.00 1.13 4.20 -0.40 0.33 115.11 121.39 1jbw h GLN 110 Ca 0.13 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1jbw h GLN 110 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1jbw h GLN 110 CO 0.06 0.61 0.00 1.96 -0.67 0.00 0.00 178.83 180.78 1jbw h GLN 111 N 0.10 0.00 0.00 1.46 1.08 -0.69 -2.69 115.11 114.37 1jbw h GLN 111 Ca 0.00 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.89 1jbw h GLN 111 Cb 0.93 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.30 1jbw h GLN 111 CO 0.07 0.00 -2.21 1.04 -0.95 0.00 0.00 178.83 176.78 1jbw n GLN 112 N -2.47 1.03 -3.65 1.46 1.13 -0.78 -4.75 117.38 109.35 1jbw n GLN 112 Ca 0.02 -0.02 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 1jbw n GLN 112 Cb 0.27 -1.46 -0.12 0.00 0.11 0.00 0.00 30.24 29.03 1jbw n GLN 112 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1jbw s GLN 113 N -2.49 1.33 0.38 -1.09 -0.44 0.11 -5.03 119.66 112.43 1jbw s GLN 113 Ca -0.09 -2.18 0.27 0.00 -2.50 0.00 0.00 55.36 50.86 1jbw s GLN 113 Cb 0.06 -2.23 1.32 0.00 -1.64 0.00 0.00 33.01 30.52 1jbw s GLN 113 CO 0.74 -1.23 1.42 0.00 0.50 0.00 0.00 175.29 176.72 1jbw n ALA 114 N 3.19 1.17 -1.31 1.58 0.00 -1.03 -0.99 120.51 123.12 1jbw n ALA 114 Ca 0.15 0.82 -0.05 0.00 0.00 0.00 0.00 53.44 54.36 1jbw n ALA 114 Cb 0.38 -0.95 0.21 0.00 0.00 0.00 0.00 19.45 19.09 1jbw n ALA 114 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jbw n ASP 115 N -4.63 3.05 -4.78 0.00 5.75 -1.26 -4.97 116.55 109.70 1jbw n ASP 115 Ca 0.36 -3.58 -0.37 0.00 -0.01 0.00 0.00 54.79 51.19 1jbw n ASP 115 Cb 1.37 -0.65 -0.06 0.00 -1.03 0.00 0.00 41.12 40.74 1jbw n ASP 115 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1jbw s PHE 116 N -3.16 3.65 0.16 2.11 5.36 -0.16 -5.05 117.98 120.89 1jbw s PHE 116 Ca 0.47 1.77 -0.25 0.00 -0.96 0.00 0.00 56.93 57.96 1jbw s PHE 116 Cb 0.41 -2.93 0.06 0.00 -0.34 0.00 0.00 43.02 40.21 1jbw s PHE 116 CO 0.04 0.14 0.90 1.21 -1.46 0.00 0.00 175.22 176.05 1jbw s ASN 117 N -1.64 -0.22 0.20 6.13 3.84 -1.26 -4.83 114.94 117.16 1jbw s ASN 117 Ca 0.51 -0.39 0.03 0.00 0.21 0.00 0.00 52.86 53.22 1jbw s ASN 117 Cb -0.18 0.52 -0.05 0.00 -0.55 0.00 0.00 41.25 40.99 1jbw s ASN 117 CO 0.23 -0.96 -0.02 0.68 -2.79 0.00 0.00 177.10 174.25 1jbw s VAL 118 N -3.39 0.94 0.72 -5.21 -7.23 -1.26 -4.93 120.40 100.03 1jbw s VAL 118 Ca 0.11 -2.02 -0.07 0.00 -1.81 0.00 0.00 61.98 58.19 1jbw s VAL 118 Cb -0.02 -2.17 0.07 0.00 0.56 0.00 0.00 36.38 34.81 1jbw s VAL 118 CO 0.02 -0.45 1.03 0.42 -0.31 0.00 0.00 175.10 175.80 1jbw s THR 119 N -3.48 2.25 0.14 5.32 -4.23 -1.26 -4.31 115.64 110.06 1jbw s THR 119 Ca 0.25 -0.26 -0.16 0.00 -1.18 0.00 0.00 61.69 60.33 1jbw s THR 119 Cb 0.05 -2.98 -0.00 0.00 1.34 0.00 0.00 72.50 70.90 1jbw s THR 119 CO 0.06 0.00 1.72 -0.08 -0.54 0.00 0.00 174.62 175.77 1jbw h GLU 120 N -0.66 0.56 -0.12 3.99 4.81 -1.80 -1.20 114.58 120.18 1jbw h GLU 120 Ca -0.44 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 58.63 1jbw h GLU 120 Cb 1.31 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1jbw h GLU 120 CO 0.59 0.49 -0.26 0.35 -0.73 0.00 0.00 179.01 179.45 1jbw h PHE 121 N 0.49 0.23 -0.45 0.92 3.57 -1.93 -1.98 116.94 117.80 1jbw h PHE 121 Ca 0.13 -0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 1jbw h PHE 121 Cb 0.12 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1jbw h PHE 121 CO -0.01 0.46 -0.20 0.93 -2.23 0.00 0.00 178.31 177.26 1jbw h GLU 122 N 0.19 0.89 -0.04 1.11 5.08 -1.82 -0.87 114.58 119.11 1jbw h GLU 122 Ca 0.03 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1jbw h GLU 122 Cb 0.57 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1jbw h GLU 122 CO 0.04 1.01 0.00 0.35 -1.00 0.00 0.00 179.01 179.42 1jbw h PHE 123 N 0.78 0.08 -0.77 4.33 3.57 -0.90 -2.22 116.94 121.81 1jbw h PHE 123 Ca 0.11 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1jbw h PHE 123 Cb 0.75 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 1jbw h PHE 123 CO 0.04 0.33 0.44 0.82 -2.23 0.00 0.00 178.31 177.72 1jbw h ILE 124 N -0.19 1.22 -0.41 1.41 2.04 -1.30 -0.72 117.51 119.56 1jbw h ILE 124 Ca 0.01 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1jbw h ILE 124 Cb 0.29 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 1jbw h ILE 124 CO 0.00 0.24 0.13 0.74 0.00 0.00 0.00 178.15 179.26 1jbw h THR 125 N 1.06 1.22 -0.42 -0.27 2.02 -1.13 0.58 112.91 115.97 1jbw h THR 125 Ca 0.27 -0.72 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 1jbw h THR 125 Cb -0.01 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1jbw h THR 125 CO -0.05 0.25 0.16 0.00 0.37 0.00 0.00 175.52 176.25 1jbw h ALA 126 N 0.98 0.54 -0.71 6.16 0.00 -1.17 0.02 119.26 125.07 1jbw h ALA 126 Ca 0.13 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1jbw h ALA 126 Cb 0.26 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1jbw h ALA 126 CO -0.00 0.16 0.47 1.25 0.00 0.00 0.00 179.25 181.12 1jbw h LEU 127 N 0.53 0.79 -0.06 0.00 6.46 -0.94 -0.79 115.31 121.31 1jbw h LEU 127 Ca 0.14 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1jbw h LEU 127 Cb 0.21 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 39.95 1jbw h LEU 127 CO -0.01 0.57 0.03 0.00 -0.62 0.00 0.00 178.44 178.40 1jbw h ALA 128 N 1.28 0.07 -0.78 1.25 0.00 -0.49 0.25 119.26 120.84 1jbw h ALA 128 Ca 0.27 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1jbw h ALA 128 Cb -0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1jbw h ALA 128 CO -0.07 -0.36 0.49 1.88 0.00 0.00 0.00 179.25 181.18 1jbw h TYR 129 N -0.04 0.92 -0.36 0.00 0.99 -0.74 0.29 116.97 118.03 1jbw h TYR 129 Ca 0.02 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.73 1jbw h TYR 129 Cb 0.13 -0.30 -0.01 0.00 1.00 0.00 0.00 36.73 37.54 1jbw h TYR 129 CO -0.03 0.51 0.03 2.35 -0.00 0.00 0.00 178.16 181.02 1jbw h TRP 130 N 0.94 0.66 -0.22 4.88 7.01 -0.89 -2.63 115.95 125.69 1jbw h TRP 130 Ca 0.32 -0.10 -0.00 0.00 2.11 0.00 0.00 58.89 61.22 1jbw h TRP 130 Cb 0.06 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 1jbw h TRP 130 CO -0.04 0.69 0.14 -0.92 -2.79 0.00 0.00 178.44 175.52 1jbw h TYR 131 N 0.44 0.29 -0.66 2.65 3.20 0.07 -0.17 116.97 122.78 1jbw h TYR 131 Ca 0.11 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.02 1jbw h TYR 131 Cb 0.40 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 1jbw h TYR 131 CO 0.03 0.22 0.44 0.74 -1.64 0.00 0.00 178.16 177.95 1jbw h PHE 132 N 0.28 0.74 -0.07 -3.82 0.05 -0.89 -1.48 116.94 111.74 1jbw h PHE 132 Ca 0.08 0.02 -0.22 0.00 3.82 0.00 0.00 57.97 61.66 1jbw h PHE 132 Cb 0.01 -0.25 0.01 0.00 2.00 0.00 0.00 35.95 37.73 1jbw h PHE 132 CO -0.05 0.42 -0.83 0.00 -0.18 0.00 0.00 178.31 177.67 1jbw h ARG 133 N 0.75 0.69 -0.49 1.51 2.47 -1.09 -1.91 114.38 116.31 1jbw h ARG 133 Ca 0.27 -0.65 0.08 0.00 -1.26 0.00 0.00 59.98 58.42 1jbw h ARG 133 Cb 0.13 0.16 -0.06 0.00 -1.65 0.00 0.00 29.97 28.55 1jbw h ARG 133 CO -0.08 1.25 0.13 0.37 0.56 0.00 0.00 179.97 182.19 1jbw h GLN 134 N 0.36 0.27 -0.00 0.04 4.15 -0.49 0.17 115.11 119.61 1jbw h GLN 134 Ca -0.08 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1jbw h GLN 134 Cb 1.48 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.11 1jbw h GLN 134 CO 0.17 0.18 0.00 0.54 -1.93 0.00 0.00 178.83 177.79 1jbw n ARG 135 N -5.07 1.03 -3.93 1.69 5.12 -0.61 -4.94 116.66 109.96 1jbw n ARG 135 Ca 0.05 -0.05 -0.35 0.00 -1.93 0.00 0.00 57.85 55.57 1jbw n ARG 135 Cb 0.22 -1.46 0.01 0.00 -1.16 0.00 0.00 32.46 30.07 1jbw n ARG 135 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1jbw n GLN 136 N -0.90 -1.28 -1.92 5.56 6.02 0.61 -4.93 117.38 120.54 1jbw n GLN 136 Ca 0.22 0.28 -0.33 0.00 -0.01 0.00 0.00 57.00 57.16 1jbw n GLN 136 Cb 0.11 -3.62 0.03 0.00 1.02 0.00 0.00 30.24 27.78 1jbw n GLN 136 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1jbw s VAL 137 N -3.68 3.32 0.24 5.09 -7.23 -0.83 -4.93 120.40 112.38 1jbw s VAL 137 Ca 0.34 0.66 0.04 0.00 -1.81 0.00 0.00 61.98 61.21 1jbw s VAL 137 Cb -0.15 -3.19 -0.04 0.00 0.56 0.00 0.00 36.38 33.56 1jbw s VAL 137 CO 0.92 -0.33 1.57 0.44 -0.31 0.00 0.00 175.10 177.39 1jbw h ASP 138 N 0.37 0.29 -4.79 4.85 3.32 -1.39 -3.45 116.42 115.62 1jbw h ASP 138 Ca -0.48 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 56.36 1jbw h ASP 138 Cb 1.25 -0.08 -0.19 0.00 0.22 0.00 0.00 39.33 40.52 1jbw h ASP 138 CO 0.55 0.81 0.17 0.54 -1.72 0.00 0.00 179.24 179.59 1jbw s VAL 139 N -3.81 0.00 -0.15 -1.35 0.11 -1.20 -4.03 120.40 109.97 1jbw s VAL 139 Ca -0.04 -0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.02 1jbw s VAL 139 Cb 0.12 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 1jbw s VAL 139 CO 0.80 -0.00 -0.19 0.00 -3.33 0.00 0.00 175.10 172.38 1jbw s ALA 140 N -0.87 2.37 -0.32 1.54 0.00 -0.66 -0.84 121.76 122.98 1jbw s ALA 140 Ca -0.09 -1.08 -0.18 0.00 0.00 0.00 0.00 51.96 50.61 1jbw s ALA 140 Cb -0.01 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 1jbw s ALA 140 CO 0.08 -0.05 0.52 0.08 0.00 0.00 0.00 175.76 176.39 1jbw s VAL 141 N 0.84 5.02 -0.24 0.00 1.01 0.11 -1.48 120.40 125.67 1jbw s VAL 141 Ca -0.06 0.52 -0.05 0.00 0.00 0.00 0.00 61.98 62.40 1jbw s VAL 141 Cb -0.15 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1jbw s VAL 141 CO -0.02 -0.13 0.00 -0.63 0.00 0.00 0.00 175.10 174.33 1jbw s ILE 142 N 2.39 3.63 -0.17 2.22 -1.09 0.51 -0.67 121.20 128.02 1jbw s ILE 142 Ca 0.20 -0.52 -0.20 0.00 -2.23 0.00 0.00 60.65 57.90 1jbw s ILE 142 Cb -0.15 -2.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.97 1jbw s ILE 142 CO 0.12 0.31 0.56 -0.70 -1.23 0.00 0.00 174.94 174.01 1jbw s GLU 143 N 1.50 4.24 0.30 2.79 2.12 -0.24 -0.56 118.70 128.85 1jbw s GLU 143 Ca 0.05 0.52 -0.29 0.00 0.36 0.00 0.00 54.97 55.61 1jbw s GLU 143 Cb -0.15 -3.54 -0.10 0.00 0.26 0.00 0.00 34.13 30.60 1jbw s GLU 143 CO -0.01 -0.11 1.33 0.08 -0.54 0.00 0.00 175.26 176.01 1jbw s VAL 144 N 1.48 2.76 0.01 3.70 1.01 -0.26 -4.83 120.40 124.27 1jbw s VAL 144 Ca 0.27 0.73 -0.15 0.00 0.00 0.00 0.00 61.98 62.83 1jbw s VAL 144 Cb -0.16 -3.47 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 1jbw s VAL 144 CO 0.11 0.16 1.00 1.23 0.00 0.00 0.00 175.10 177.60 1jbw h GLY 145 N 3.87 -0.57 -5.00 4.51 0.00 -1.96 -3.47 103.07 100.45 1jbw h GLY 145 Ca -0.48 0.21 -0.15 0.00 0.00 0.00 0.00 47.33 46.91 1jbw h GLY 145 CO 0.69 -0.21 -0.45 -0.42 0.00 0.00 0.00 176.54 176.16 1jbw s ILE 146 N -3.80 0.04 0.00 2.60 1.01 -1.26 -5.10 121.20 114.69 1jbw s ILE 146 Ca -0.08 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1jbw s ILE 146 Cb 0.01 -0.40 0.00 0.00 0.01 0.00 0.00 42.46 42.07 1jbw s ILE 146 CO 0.24 -0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1jbw n GLY 147 N 2.10 2.48 1.09 6.18 0.00 -1.26 -4.23 105.19 111.55 1jbw n GLY 147 Ca -0.18 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1jbw n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jbw n GLY 148 N 0.00 -1.83 0.16 -0.02 0.00 -1.22 -4.66 105.19 97.63 1jbw n GLY 148 Ca 0.00 0.54 -0.09 0.00 0.00 0.00 0.00 46.02 46.47 1jbw n GLY 148 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1jbw h ASP 149 N 0.00 0.44 -0.35 1.61 3.04 -1.57 -3.21 116.42 116.38 1jbw h ASP 149 Ca 0.00 -0.11 0.00 0.00 -3.24 0.00 0.00 57.03 53.68 1jbw h ASP 149 Cb 0.00 -0.11 0.00 0.00 -1.04 0.00 0.00 39.33 38.18 1jbw h ASP 149 CO 0.00 0.43 0.00 0.35 -2.04 0.00 0.00 179.24 177.98 1jbw n THR 150 N -4.76 0.46 -2.13 1.15 -2.24 -1.26 -4.81 114.28 100.69 1jbw n THR 150 Ca -0.01 -0.58 -0.36 0.00 -2.27 0.00 0.00 64.05 60.83 1jbw n THR 150 Cb 0.10 0.55 0.01 0.00 -2.10 0.00 0.00 70.33 68.89 1jbw n THR 150 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jbw s ASP 151 N -1.35 5.57 0.57 3.42 -1.08 -1.21 -4.71 116.67 117.87 1jbw s ASP 151 Ca 0.35 2.32 0.28 0.00 -0.52 0.00 0.00 52.55 54.98 1jbw s ASP 151 Cb 0.19 -2.60 1.69 0.00 -1.46 0.00 0.00 42.92 40.74 1jbw s ASP 151 CO 0.27 -1.33 2.20 0.28 0.52 0.00 0.00 175.17 177.11 1jbw h SER 152 N 1.25 0.00 1.19 -0.34 0.02 -1.92 -1.24 113.55 112.51 1jbw h SER 152 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1jbw h SER 152 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1jbw h SER 152 CO 0.57 0.03 0.00 0.71 -1.14 0.00 0.00 176.83 177.00 1jbw h THR 153 N 0.00 0.00 0.00 -2.27 1.35 -1.93 -3.39 112.91 106.67 1jbw h THR 153 Ca -0.00 -0.41 -0.68 0.00 -0.55 0.00 0.00 66.41 64.77 1jbw h THR 153 Cb 0.08 1.30 -0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1jbw h THR 153 CO 0.00 0.00 3.43 -3.20 -0.25 0.00 0.00 175.52 175.50 1jbw n ASN 154 N -2.34 6.10 -0.98 5.36 5.15 -0.47 -4.02 115.26 124.06 1jbw n ASN 154 Ca 0.04 -2.69 0.03 0.00 -0.60 0.00 0.00 54.58 51.36 1jbw n ASN 154 Cb 0.35 -1.58 0.04 0.00 -0.53 0.00 0.00 39.78 38.07 1jbw n ASN 154 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1jbw n VAL 155 N 4.41 0.38 -4.28 3.44 0.24 -1.26 -4.96 118.33 116.29 1jbw n VAL 155 Ca 0.64 -1.02 -0.15 0.00 -2.04 0.00 0.00 64.34 61.77 1jbw n VAL 155 Cb 0.31 0.61 -0.10 0.00 -1.47 0.00 0.00 33.84 33.19 1jbw n VAL 155 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1jbw s ILE 156 N -0.56 1.20 -0.27 1.34 -4.36 -1.26 -4.74 121.20 112.55 1jbw s ILE 156 Ca 0.23 -2.07 -0.00 0.00 -0.26 0.00 0.00 60.65 58.55 1jbw s ILE 156 Cb 0.26 -1.98 0.05 0.00 1.25 0.00 0.00 42.46 42.03 1jbw s ILE 156 CO -0.09 -0.64 -0.05 -0.89 0.24 0.00 0.00 174.94 173.51 1jbw s THR 157 N -3.31 2.71 0.71 8.37 2.01 -1.26 -5.10 115.64 119.78 1jbw s THR 157 Ca 0.20 -1.36 -0.04 0.00 0.31 0.00 0.00 61.69 60.80 1jbw s THR 157 Cb 0.03 -2.52 0.10 0.00 0.01 0.00 0.00 72.50 70.12 1jbw s THR 157 CO 0.03 -0.00 1.00 -2.16 -0.69 0.00 0.00 174.62 172.80 1jbw s PRO 158 N 1.23 1.83 0.05 4.92 0.04 -1.26 -4.53 135.00 137.27 1jbw s PRO 158 Ca -0.05 -0.77 -0.02 0.00 0.04 0.00 0.00 61.00 60.20 1jbw s PRO 158 Cb -0.19 -2.26 -0.27 0.00 0.04 0.00 0.00 34.50 31.81 1jbw s PRO 158 CO -0.03 -1.38 1.03 0.28 0.04 0.00 0.00 177.00 176.93 1jbw h VAL 159 N -0.57 1.37 -2.61 -0.36 2.07 -0.91 -3.47 116.25 111.76 1jbw h VAL 159 Ca -0.40 -2.98 -0.10 0.00 0.82 0.00 0.00 66.70 64.03 1jbw h VAL 159 Cb 1.28 2.85 -0.22 0.00 -1.52 0.00 0.00 31.29 33.68 1jbw h VAL 159 CO 0.47 0.86 -0.14 0.54 0.02 0.00 0.00 177.57 179.31 1jbw s VAL 160 N -2.64 0.01 0.16 2.57 0.11 -1.25 -4.24 120.40 115.13 1jbw s VAL 160 Ca -0.05 -0.09 0.05 0.00 -2.93 0.00 0.00 61.98 58.96 1jbw s VAL 160 Cb 0.07 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 1jbw s VAL 160 CO 0.87 -0.05 0.15 -0.44 -3.33 0.00 0.00 175.10 172.30 1jbw s SER 161 N -0.18 5.61 -0.02 3.54 0.01 -0.25 -2.22 113.70 120.19 1jbw s SER 161 Ca -0.04 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.13 1jbw s SER 161 Cb -0.03 -1.49 0.01 0.00 0.21 0.00 0.00 66.02 64.72 1jbw s SER 161 CO 0.02 0.06 -0.01 -0.69 0.41 0.00 0.00 173.24 173.03 1jbw s VAL 162 N -1.76 0.21 -0.33 3.43 1.01 0.25 -0.89 120.40 122.32 1jbw s VAL 162 Ca 0.31 -0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.27 1jbw s VAL 162 Cb -0.10 -0.25 0.11 0.00 0.00 0.00 0.00 36.38 36.14 1jbw s VAL 162 CO 0.24 0.11 0.13 -0.22 0.00 0.00 0.00 175.10 175.35 1jbw s LEU 163 N 0.51 2.19 0.07 3.92 0.20 -0.55 -0.61 118.68 124.41 1jbw s LEU 163 Ca -0.05 -1.80 -0.23 0.00 0.69 0.00 0.00 54.13 52.74 1jbw s LEU 163 Cb -0.08 -0.85 -0.15 0.00 -0.43 0.00 0.00 46.19 44.68 1jbw s LEU 163 CO -0.01 -0.39 1.66 0.71 -0.29 0.00 0.00 176.35 178.03 1jbw h THR 164 N 6.23 1.08 -2.13 3.68 1.35 -1.52 -2.37 112.91 119.22 1jbw h THR 164 Ca -0.11 -0.22 0.14 0.00 -0.55 0.00 0.00 66.41 65.67 1jbw h THR 164 Cb 1.00 1.17 -0.16 0.00 -1.73 0.00 0.00 68.15 68.44 1jbw h THR 164 CO 0.46 0.06 0.55 -0.70 -0.25 0.00 0.00 175.52 175.65 1jbw s GLU 165 N -5.84 0.74 -0.12 4.72 2.12 -1.26 -2.17 118.70 116.88 1jbw s GLU 165 Ca -0.13 -0.28 -0.00 0.00 0.36 0.00 0.00 54.97 54.91 1jbw s GLU 165 Cb 0.06 0.33 0.02 0.00 0.26 0.00 0.00 34.13 34.80 1jbw s GLU 165 CO 0.67 -0.32 -0.10 0.08 -0.54 0.00 0.00 175.26 175.04 1jbw s VAL 166 N -3.00 1.22 0.09 3.70 1.01 -1.26 -0.44 120.40 121.72 1jbw s VAL 166 Ca 0.06 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 1jbw s VAL 166 Cb -0.01 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1jbw s VAL 166 CO -0.08 0.40 0.12 0.00 0.00 0.00 0.00 175.10 175.54 1jbw s ALA 167 N 1.62 0.15 0.07 5.51 0.00 -1.26 -4.77 121.76 123.08 1jbw s ALA 167 Ca 0.05 -0.93 -0.31 0.00 0.00 0.00 0.00 51.96 50.77 1jbw s ALA 167 Cb -0.13 0.51 -0.07 0.00 0.00 0.00 0.00 23.12 23.43 1jbw s ALA 167 CO -0.09 -0.48 1.46 -0.51 0.00 0.00 0.00 175.76 176.14 1jbw s LEU 168 N -2.91 4.35 -0.30 0.00 1.43 -1.26 -4.87 118.68 115.12 1jbw s LEU 168 Ca 0.09 2.32 -0.28 0.00 -1.03 0.00 0.00 54.13 55.23 1jbw s LEU 168 Cb 0.06 -3.57 0.20 0.00 0.03 0.00 0.00 46.19 42.90 1jbw s LEU 168 CO -0.08 -0.74 1.40 -0.62 0.23 0.00 0.00 176.35 176.55 1jbw s ASP 169 N 1.62 -0.01 -1.34 2.29 -1.08 -1.26 -4.58 116.67 112.30 1jbw s ASP 169 Ca 0.67 0.01 -0.08 0.00 -0.52 0.00 0.00 52.55 52.63 1jbw s ASP 169 Cb -0.36 0.01 0.01 0.00 -1.46 0.00 0.00 42.92 41.12 1jbw s ASP 169 CO 0.30 -0.01 1.14 1.41 0.52 0.00 0.00 175.17 178.53 1jbw n HIS 170 N 0.67 -2.73 -0.27 -5.34 8.25 -1.26 -4.81 115.22 109.74 1jbw n HIS 170 Ca -0.01 1.00 -0.05 0.00 -0.26 0.00 0.00 57.72 58.40 1jbw n HIS 170 Cb 0.59 -5.00 0.06 0.00 1.12 0.00 0.00 29.99 26.76 1jbw n HIS 170 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1jbw h GLN 171 N -2.53 0.97 -0.18 -0.41 7.50 -1.97 0.92 115.11 119.41 1jbw h GLN 171 Ca -0.57 -0.07 0.00 0.00 0.50 0.00 0.00 58.65 58.51 1jbw h GLN 171 Cb 1.36 -0.22 0.00 0.00 0.05 0.00 0.00 27.48 28.68 1jbw h GLN 171 CO 0.56 0.66 0.00 1.63 -1.50 0.00 0.00 178.83 180.17 1jbw n LYS 172 N -4.56 0.56 0.00 1.46 4.01 -1.26 -2.33 118.16 116.04 1jbw n LYS 172 Ca 0.07 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 1jbw n LYS 172 Cb 0.03 -1.09 0.00 0.00 -0.51 0.00 0.00 35.03 33.45 1jbw n LYS 172 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1jbw n LEU 173 N -0.27 0.14 -0.09 -0.35 4.32 -0.98 -4.97 117.00 114.80 1jbw n LEU 173 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.88 1jbw n LEU 173 Cb 0.05 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 41.69 1jbw n LEU 173 CO 0.00 -0.27 -1.09 0.18 -1.22 0.00 0.00 177.39 174.99 1jbw n LEU 174 N -2.53 0.41 0.00 2.23 4.77 0.28 -5.09 117.00 117.07 1jbw n LEU 174 Ca 0.00 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1jbw n LEU 174 Cb 0.16 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1jbw n LEU 174 CO 0.00 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1jbw n GLY 175 N 1.78 3.01 0.57 -0.72 0.00 -0.98 -3.79 105.19 105.06 1jbw n GLY 175 Ca -0.32 -1.48 0.09 0.00 0.00 0.00 0.00 46.02 44.31 1jbw n GLY 175 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jbw n HIS 176 N -1.66 0.00 -4.35 1.61 -0.00 -1.26 -4.02 115.22 105.55 1jbw n HIS 176 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.54 1jbw n HIS 176 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.89 1jbw n HIS 176 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 1jbw s THR 177 N -1.82 1.74 0.15 1.59 -4.23 -1.26 -5.05 115.64 106.76 1jbw s THR 177 Ca 0.18 -2.21 -0.15 0.00 -1.18 0.00 0.00 61.69 58.33 1jbw s THR 177 Cb 0.15 -2.04 0.03 0.00 1.34 0.00 0.00 72.50 71.97 1jbw s THR 177 CO 0.35 -0.60 1.72 0.40 -0.54 0.00 0.00 174.62 175.95 1jbw h ILE 178 N 2.56 1.19 -0.50 2.99 1.08 -1.96 -1.75 117.51 121.13 1jbw h ILE 178 Ca -0.38 -0.56 0.10 0.00 -0.39 0.00 0.00 64.86 63.63 1jbw h ILE 178 Cb 1.22 0.70 -0.09 0.00 -3.07 0.00 0.00 36.82 35.58 1jbw h ILE 178 CO 0.62 0.22 -0.04 0.74 -0.69 0.00 0.00 178.15 178.99 1jbw h THR 179 N 0.61 0.57 0.26 -0.27 2.02 -1.97 0.62 112.91 114.75 1jbw h THR 179 Ca 0.16 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 1jbw h THR 179 Cb 0.14 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1jbw h THR 179 CO -0.02 0.01 -0.12 0.00 0.37 0.00 0.00 175.52 175.76 1jbw h ALA 180 N 1.46 -0.34 -0.81 6.16 0.00 -1.82 -0.97 119.26 122.94 1jbw h ALA 180 Ca 0.25 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1jbw h ALA 180 Cb 0.38 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1jbw h ALA 180 CO -0.45 -0.67 0.52 0.82 0.00 0.00 0.00 179.25 179.47 1jbw h ILE 181 N -0.38 1.16 -0.55 0.00 2.04 -0.84 -2.54 117.51 116.39 1jbw h ILE 181 Ca -0.04 -0.36 0.03 0.00 1.00 0.00 0.00 64.86 65.49 1jbw h ILE 181 Cb 0.29 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 1jbw h ILE 181 CO 0.06 0.19 0.33 0.00 0.00 0.00 0.00 178.15 178.73 1jbw h ALA 182 N 1.32 0.71 -0.56 1.87 0.00 0.46 -2.07 119.26 120.99 1jbw h ALA 182 Ca 0.31 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1jbw h ALA 182 Cb -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1jbw h ALA 182 CO -0.10 0.05 0.37 0.87 0.00 0.00 0.00 179.25 180.45 1jbw h LYS 183 N 0.66 0.66 -0.51 0.00 1.57 -0.76 0.47 116.57 118.66 1jbw h LYS 183 Ca 0.22 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1jbw h LYS 183 Cb 0.02 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1jbw h LYS 183 CO -0.10 0.44 0.00 0.72 -0.57 0.00 0.00 179.45 179.94 1jbw n HIS 184 N -4.46 0.00 0.00 -1.35 8.25 -0.78 -3.23 115.22 113.64 1jbw n HIS 184 Ca 0.06 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1jbw n HIS 184 Cb 0.11 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1jbw n HIS 184 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jbw n ALA 186 N 0.35 0.00 0.24 -1.41 0.00 0.15 -1.72 120.51 118.11 1jbw n ALA 186 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1jbw n ALA 186 Cb 0.11 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.30 1jbw n ALA 186 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jbw h GLY 187 N 0.00 0.00 -0.80 0.00 0.00 -1.81 -1.40 103.07 99.05 1jbw h GLY 187 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jbw h GLY 187 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.83 1jbw n ILE 188 N -2.49 0.18 -3.02 2.60 -5.35 -1.26 -4.53 119.36 105.49 1jbw n ILE 188 Ca -0.01 -0.34 -0.40 0.00 -0.27 0.00 0.00 62.75 61.72 1jbw n ILE 188 Cb 0.08 0.41 -0.05 0.00 -1.74 0.00 0.00 39.64 38.34 1jbw n ILE 188 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1jbw s ILE 189 N -1.82 4.97 0.27 7.28 1.01 -0.53 -4.82 121.20 127.56 1jbw s ILE 189 Ca 0.33 1.39 0.11 0.00 0.00 0.00 0.00 60.65 62.48 1jbw s ILE 189 Cb 0.18 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 1jbw s ILE 189 CO 0.27 0.10 -0.10 -0.54 0.00 0.00 0.00 174.94 174.67 1jbw s LYS 190 N 1.81 1.98 -0.01 2.79 -0.14 -1.26 -5.04 119.74 119.88 1jbw s LYS 190 Ca 0.34 -1.57 -0.37 0.00 -1.36 0.00 0.00 55.97 53.00 1jbw s LYS 190 Cb -0.16 -1.97 -0.16 0.00 -1.68 0.00 0.00 37.83 33.85 1jbw s LYS 190 CO 0.12 0.35 1.49 0.54 -0.76 0.00 0.00 175.35 177.10 1jbw n ARG 191 N -0.69 1.29 -0.74 1.68 1.74 -1.26 -1.35 116.66 117.33 1jbw n ARG 191 Ca -0.06 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 1jbw n ARG 191 Cb 0.59 -2.14 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 1jbw n ARG 191 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jbw n GLY 192 N 3.13 0.17 3.66 -0.13 0.00 -0.09 -4.97 105.19 106.95 1jbw n GLY 192 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1jbw n GLY 192 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jbw s ILE 193 N -1.46 5.24 0.68 -0.61 -1.09 -0.46 -4.76 121.20 118.74 1jbw s ILE 193 Ca 0.00 0.54 -0.17 0.00 -2.23 0.00 0.00 60.65 58.79 1jbw s ILE 193 Cb 0.00 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.23 1jbw s ILE 193 CO 0.00 0.27 1.27 -2.16 -1.23 0.00 0.00 174.94 173.09 1jbw s PRO 194 N 1.29 2.37 -0.05 2.79 0.04 -1.26 -4.42 135.00 135.77 1jbw s PRO 194 Ca 0.15 1.98 0.03 0.00 0.04 0.00 0.00 61.00 63.20 1jbw s PRO 194 Cb -0.14 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1jbw s PRO 194 CO 0.07 -1.71 -0.12 0.54 0.04 0.00 0.00 177.00 175.82 1jbw s VAL 195 N -1.58 1.06 -0.16 -0.36 0.11 -0.40 -1.09 120.40 118.00 1jbw s VAL 195 Ca 0.80 -0.47 -0.02 0.00 -2.93 0.00 0.00 61.98 59.36 1jbw s VAL 195 Cb -0.35 -0.95 -0.02 0.00 -1.53 0.00 0.00 36.38 33.53 1jbw s VAL 195 CO 0.42 0.33 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.74 1jbw s VAL 196 N 0.42 3.37 0.19 2.04 1.01 -0.07 -1.70 120.40 125.66 1jbw s VAL 196 Ca -0.09 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1jbw s VAL 196 Cb -0.13 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1jbw s VAL 196 CO 0.02 0.50 -0.03 0.42 0.00 0.00 0.00 175.10 176.01 1jbw s THR 197 N 0.58 0.97 0.00 3.92 -4.23 -0.14 -1.49 115.64 115.25 1jbw s THR 197 Ca -0.06 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 1jbw s THR 197 Cb -0.15 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.56 1jbw s THR 197 CO 0.03 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.22 1jbw n GLY 198 N -0.30 -1.18 3.55 3.99 0.00 -0.89 -1.33 105.19 109.02 1jbw n GLY 198 Ca -0.07 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 1jbw n GLY 198 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jbw s ASN 199 N -1.04 6.40 0.01 1.61 2.47 -1.26 -3.80 114.94 119.32 1jbw s ASN 199 Ca 0.00 -0.12 -0.15 0.00 0.42 0.00 0.00 52.86 53.01 1jbw s ASN 199 Cb 0.00 -2.48 -0.06 0.00 -1.45 0.00 0.00 41.25 37.27 1jbw s ASN 199 CO 0.00 -1.28 0.42 -0.76 -3.72 0.00 0.00 177.10 171.76 1jbw s LEU 200 N 4.24 4.48 0.54 3.21 1.43 -1.26 -4.95 118.68 126.36 1jbw s LEU 200 Ca 0.36 0.98 -0.22 0.00 -1.03 0.00 0.00 54.13 54.22 1jbw s LEU 200 Cb -0.10 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.44 1jbw s LEU 200 CO 0.22 0.32 1.35 0.68 0.23 0.00 0.00 176.35 179.15 1jbw s VAL 201 N -1.10 2.13 0.14 -1.59 -7.23 -1.26 -4.44 120.40 107.05 1jbw s VAL 201 Ca 0.24 0.10 -0.13 0.00 -1.81 0.00 0.00 61.98 60.38 1jbw s VAL 201 Cb -0.17 -3.05 0.11 0.00 0.56 0.00 0.00 36.38 33.83 1jbw s VAL 201 CO 0.14 -0.00 1.00 -2.65 -0.31 0.00 0.00 175.10 173.28 1jbw n PRO 202 N -0.98 -0.18 -0.21 4.82 -0.02 -1.26 -0.68 135.00 136.50 1jbw n PRO 202 Ca 0.10 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.57 1jbw n PRO 202 Cb 0.45 -1.46 0.11 0.00 -0.02 0.00 0.00 33.50 32.58 1jbw n PRO 202 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1jbw h ASP 203 N 0.00 0.24 -0.17 2.55 5.19 -2.00 -1.60 116.42 120.63 1jbw h ASP 203 Ca 0.20 0.08 -0.16 0.00 -0.62 0.00 0.00 57.03 56.53 1jbw h ASP 203 Cb 0.36 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 1jbw h ASP 203 CO -0.63 0.14 -0.45 0.00 -3.12 0.00 0.00 179.24 175.18 1jbw h ALA 204 N 1.42 0.67 -0.94 3.45 0.00 -1.22 -2.95 119.26 119.70 1jbw h ALA 204 Ca 0.31 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1jbw h ALA 204 Cb 0.39 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1jbw h ALA 204 CO -0.31 0.67 0.62 0.00 0.00 0.00 0.00 179.25 180.23 1jbw h ALA 205 N 0.91 1.38 -0.65 0.00 0.00 -0.35 -1.85 119.26 118.69 1jbw h ALA 205 Ca 0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1jbw h ALA 205 Cb 1.01 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1jbw h ALA 205 CO 0.10 0.54 0.05 0.00 0.00 0.00 0.00 179.25 179.94 1jbw h ALA 206 N 1.44 0.87 -0.42 0.00 0.00 -1.25 0.74 119.26 120.64 1jbw h ALA 206 Ca 0.37 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1jbw h ALA 206 Cb -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1jbw h ALA 206 CO -0.10 0.67 0.10 0.28 0.00 0.00 0.00 179.25 180.20 1jbw h VAL 207 N 1.02 1.23 -0.50 0.00 2.07 -1.25 -1.70 116.25 117.12 1jbw h VAL 207 Ca 0.19 -0.80 -0.13 0.00 0.82 0.00 0.00 66.70 66.78 1jbw h VAL 207 Cb 0.51 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1jbw h VAL 207 CO 0.02 0.28 -0.19 0.58 0.02 0.00 0.00 177.57 178.29 1jbw h VAL 208 N 0.55 1.27 -0.77 2.57 2.07 -1.10 -1.10 116.25 119.74 1jbw h VAL 208 Ca 0.13 -1.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 1jbw h VAL 208 Cb 0.32 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1jbw h VAL 208 CO 0.00 0.47 0.39 0.00 0.02 0.00 0.00 177.57 178.46 1jbw h ALA 209 N 0.89 0.99 -0.61 1.67 0.00 -0.79 -0.32 119.26 121.10 1jbw h ALA 209 Ca 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1jbw h ALA 209 Cb 0.77 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1jbw h ALA 209 CO 0.06 0.53 0.30 0.00 0.00 0.00 0.00 179.25 180.14 1jbw h ALA 210 N 1.20 0.78 -0.11 0.00 0.00 -1.08 -1.93 119.26 118.13 1jbw h ALA 210 Ca 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1jbw h ALA 210 Cb 0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1jbw h ALA 210 CO -0.04 0.34 -0.00 -0.22 0.00 0.00 0.00 179.25 179.33 1jbw h LYS 211 N 0.83 0.19 0.00 0.00 1.63 -0.62 -2.69 116.57 115.91 1jbw h LYS 211 Ca 0.21 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.94 1jbw h LYS 211 Cb 0.11 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1jbw h LYS 211 CO -0.03 0.45 -0.05 -0.39 -3.45 0.00 0.00 179.45 175.99 1jbw h VAL 212 N -0.09 0.99 -0.22 2.00 -1.51 -1.02 0.64 116.25 117.05 1jbw h VAL 212 Ca 0.03 -0.16 -0.02 0.00 -1.23 0.00 0.00 66.70 65.32 1jbw h VAL 212 Cb 0.37 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.60 1jbw h VAL 212 CO 0.01 0.05 0.07 0.00 -1.23 0.00 0.00 177.57 176.46 1jbw h ALA 213 N 1.95 0.29 -0.33 5.19 0.00 -1.16 0.98 119.26 126.18 1jbw h ALA 213 Ca -0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 1jbw h ALA 213 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jbw h ALA 213 CO 0.01 -0.08 -0.39 1.79 0.00 0.00 0.00 179.25 180.57 1jbw h THR 214 N 0.19 1.28 0.00 0.00 1.35 -0.88 -3.18 112.91 111.68 1jbw h THR 214 Ca 0.07 -1.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.37 1jbw h THR 214 Cb 0.23 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1jbw h THR 214 CO -0.00 0.51 -0.48 0.35 -0.25 0.00 0.00 175.52 175.65 1jbw n THR 215 N -4.05 0.25 -1.39 6.82 -2.24 0.09 -4.93 114.28 108.84 1jbw n THR 215 Ca -0.02 -0.18 -0.13 0.00 -2.27 0.00 0.00 64.05 61.45 1jbw n THR 215 Cb 0.53 -0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.60 1jbw n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jbw n GLY 216 N 1.39 1.40 3.77 3.38 0.00 0.34 -0.92 105.19 114.56 1jbw n GLY 216 Ca 0.04 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 1jbw n GLY 216 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jbw s SER 217 N -2.84 6.66 0.14 1.61 0.01 -1.08 -4.55 113.70 113.64 1jbw s SER 217 Ca 0.00 2.34 -0.30 0.00 1.31 0.00 0.00 55.95 59.30 1jbw s SER 217 Cb 0.00 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.54 1jbw s SER 217 CO 0.00 -0.58 1.15 -1.58 0.41 0.00 0.00 173.24 172.64 1jbw s GLN 218 N -2.16 4.52 -0.20 12.44 0.74 -1.26 -4.87 119.66 128.86 1jbw s GLN 218 Ca 0.55 1.77 0.01 0.00 0.05 0.00 0.00 55.36 57.73 1jbw s GLN 218 Cb -0.31 -3.29 0.03 0.00 1.10 0.00 0.00 33.01 30.54 1jbw s GLN 218 CO 0.39 -0.06 -0.17 -0.46 -0.55 0.00 0.00 175.29 174.45 1jbw s TRP 219 N 0.19 2.91 -0.22 1.67 -0.00 -1.26 -1.27 118.94 120.96 1jbw s TRP 219 Ca 0.53 -1.76 -0.05 0.00 -0.00 0.00 0.00 56.10 54.82 1jbw s TRP 219 Cb -0.30 -1.94 -0.02 0.00 -0.00 0.00 0.00 33.47 31.21 1jbw s TRP 219 CO 0.34 -0.81 -0.00 -0.51 -0.00 0.00 0.00 176.95 175.97 1jbw s LEU 220 N 1.26 3.15 -0.06 5.86 1.43 -0.69 -5.01 118.68 124.63 1jbw s LEU 220 Ca 0.02 -0.28 0.05 0.00 -1.03 0.00 0.00 54.13 52.89 1jbw s LEU 220 Cb -0.15 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 1jbw s LEU 220 CO -0.10 0.01 -0.20 -0.60 0.23 0.00 0.00 176.35 175.68 1jbw s ARG 221 N 1.34 2.61 0.33 1.70 3.52 -1.26 -0.97 118.95 126.22 1jbw s ARG 221 Ca 0.04 -0.81 -0.29 0.00 -0.13 0.00 0.00 55.73 54.54 1jbw s ARG 221 Cb -0.15 -2.28 -0.12 0.00 -1.56 0.00 0.00 34.95 30.85 1jbw s ARG 221 CO 0.00 0.45 1.50 0.34 -0.81 0.00 0.00 175.30 176.78 1jbw n PHE 222 N 2.79 2.79 -0.98 5.12 7.35 -0.45 -1.60 117.46 132.47 1jbw n PHE 222 Ca -0.17 0.38 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 1jbw n PHE 222 Cb 0.52 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.81 1jbw n PHE 222 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1jbw n ASP 223 N 1.31 -2.04 0.07 -2.13 8.00 0.68 -4.28 116.55 118.16 1jbw n ASP 223 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1jbw n ASP 223 Cb 0.37 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 1jbw n ASP 223 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1jbw n ARG 224 N -2.41 0.00 -0.07 -1.24 0.63 -0.69 -4.91 116.66 107.97 1jbw n ARG 224 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 1jbw n ARG 224 Cb 0.03 -0.36 -0.16 0.00 0.45 0.00 0.00 32.46 32.41 1jbw n ARG 224 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1jbw n ASP 225 N -3.46 0.01 -3.81 6.15 8.00 -0.63 -4.98 116.55 117.82 1jbw n ASP 225 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 1jbw n ASP 225 Cb 0.02 1.35 -0.09 0.00 -0.02 0.00 0.00 41.12 42.39 1jbw n ASP 225 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1jbw s PHE 226 N -2.85 -0.07 0.38 1.24 -0.12 -1.24 -3.04 117.98 112.28 1jbw s PHE 226 Ca -0.09 0.05 -0.13 0.00 -0.05 0.00 0.00 56.93 56.70 1jbw s PHE 226 Cb 0.09 0.03 0.05 0.00 -0.63 0.00 0.00 43.02 42.57 1jbw s PHE 226 CO 0.86 -0.37 0.75 -1.13 -0.05 0.00 0.00 175.22 175.28 1jbw n SER 227 N 1.21 -2.17 -3.75 1.98 3.41 0.15 -0.23 113.62 114.21 1jbw n SER 227 Ca -0.21 -2.57 -0.29 0.00 -0.26 0.00 0.00 58.87 55.53 1jbw n SER 227 Cb 0.56 3.64 -0.13 0.00 -0.26 0.00 0.00 64.21 68.02 1jbw n SER 227 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jbw s VAL 228 N -2.18 1.70 -0.66 -3.33 1.01 -1.26 -1.17 120.40 114.51 1jbw s VAL 228 Ca 0.16 -2.87 0.23 0.00 0.00 0.00 0.00 61.98 59.50 1jbw s VAL 228 Cb -0.05 -2.18 0.24 0.00 0.00 0.00 0.00 36.38 34.40 1jbw s VAL 228 CO 0.12 -0.91 1.71 -0.81 0.00 0.00 0.00 175.10 175.21 1jbw n PRO 229 N 3.26 0.17 -3.76 2.72 -0.04 -1.23 -4.80 135.00 131.31 1jbw n PRO 229 Ca 0.10 0.31 -0.13 0.00 -0.04 0.00 0.00 63.50 63.75 1jbw n PRO 229 Cb 0.35 -1.77 -0.09 0.00 -0.04 0.00 0.00 33.50 31.95 1jbw n PRO 229 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1jbw s LYS 230 N -3.19 0.63 -0.06 0.54 1.02 -1.26 -5.03 119.74 112.38 1jbw s LYS 230 Ca 0.07 -0.12 -0.30 0.00 0.02 0.00 0.00 55.97 55.64 1jbw s LYS 230 Cb 0.11 0.28 0.11 0.00 -0.52 0.00 0.00 37.83 37.81 1jbw s LYS 230 CO 0.43 -0.16 0.98 0.00 -0.92 0.00 0.00 175.35 175.68 1jbw s ALA 231 N -1.14 -1.89 -0.16 5.17 0.00 -1.26 -1.60 121.76 120.88 1jbw s ALA 231 Ca -0.12 1.21 -0.30 0.00 0.00 0.00 0.00 51.96 52.75 1jbw s ALA 231 Cb -0.05 0.18 0.13 0.00 0.00 0.00 0.00 23.12 23.38 1jbw s ALA 231 CO 0.04 -0.63 1.05 -1.59 0.00 0.00 0.00 175.76 174.62 1jbw s LYS 232 N -2.76 0.53 0.64 0.00 -2.85 -0.05 -4.97 119.74 110.28 1jbw s LYS 232 Ca 0.05 0.04 -0.18 0.00 -1.00 0.00 0.00 55.97 54.89 1jbw s LYS 232 Cb -0.01 0.25 -0.01 0.00 -2.06 0.00 0.00 37.83 36.00 1jbw s LYS 232 CO -0.07 -0.18 1.24 -0.51 0.10 0.00 0.00 175.35 175.92 1jbw s LEU 233 N -1.39 3.56 -0.49 2.77 1.43 -1.26 -0.54 118.68 122.76 1jbw s LEU 233 Ca 0.02 2.46 0.06 0.00 -1.03 0.00 0.00 54.13 55.64 1jbw s LEU 233 Cb -0.01 -4.60 0.18 0.00 0.03 0.00 0.00 46.19 41.79 1jbw s LEU 233 CO -0.02 -1.87 0.63 -2.28 0.23 0.00 0.00 176.35 173.04 1jbw s HIS 234 N -1.61 -0.94 0.00 0.29 2.46 -0.01 -4.67 115.29 110.81 1jbw s HIS 234 Ca 0.78 -0.99 0.00 0.00 0.47 0.00 0.00 55.06 55.33 1jbw s HIS 234 Cb -0.32 0.01 0.00 0.00 -0.13 0.00 0.00 32.58 32.13 1jbw s HIS 234 CO 0.38 -1.16 0.00 0.41 -2.47 0.00 0.00 174.74 171.90 1jbw n GLY 235 N 2.97 0.06 2.63 1.59 0.00 -1.26 -3.43 105.19 107.75 1jbw n GLY 235 Ca 0.21 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 1jbw n GLY 235 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1jbw n TRP 236 N 6.24 2.65 -3.66 1.61 -0.00 -1.26 -4.83 117.44 118.19 1jbw n TRP 236 Ca 0.00 -2.71 -0.00 0.00 -0.00 0.00 0.00 57.50 54.79 1jbw n TRP 236 Cb 0.00 -1.59 0.00 0.00 -0.00 0.00 0.00 31.31 29.72 1jbw n TRP 236 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1jbw n GLY 237 N 1.26 0.93 2.97 5.87 0.00 -1.22 -4.02 105.19 110.98 1jbw n GLY 237 Ca 0.51 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 1jbw n GLY 237 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jbw s GLN 238 N -2.00 0.31 -0.11 1.61 -0.21 -0.62 -0.83 119.66 117.81 1jbw s GLN 238 Ca 0.02 -0.46 0.01 0.00 0.02 0.00 0.00 55.36 54.95 1jbw s GLN 238 Cb -0.00 -0.09 -0.02 0.00 1.00 0.00 0.00 33.01 33.91 1jbw s GLN 238 CO 0.00 0.01 -0.15 0.50 -2.12 0.00 0.00 175.29 173.53 1jbw s ARG 239 N -0.99 3.17 0.24 2.91 3.52 0.30 -1.74 118.95 126.35 1jbw s ARG 239 Ca -0.09 -0.71 -0.12 0.00 -0.13 0.00 0.00 55.73 54.68 1jbw s ARG 239 Cb -0.07 -2.54 -0.01 0.00 -1.56 0.00 0.00 34.95 30.78 1jbw s ARG 239 CO -0.00 0.29 0.44 -0.59 -0.81 0.00 0.00 175.30 174.63 1jbw s PHE 240 N 0.14 0.41 -0.08 5.12 -0.12 0.01 -0.87 117.98 122.59 1jbw s PHE 240 Ca -0.08 -0.76 0.04 0.00 -0.05 0.00 0.00 56.93 56.08 1jbw s PHE 240 Cb -0.15 0.12 -0.02 0.00 -0.63 0.00 0.00 43.02 42.34 1jbw s PHE 240 CO 0.05 -0.95 -0.19 0.99 -0.05 0.00 0.00 175.22 175.07 1jbw s THR 241 N -4.02 2.58 -0.04 -4.49 2.01 -0.62 -1.11 115.64 109.94 1jbw s THR 241 Ca 0.23 -0.87 -0.00 0.00 0.31 0.00 0.00 61.69 61.36 1jbw s THR 241 Cb 0.00 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 1jbw s THR 241 CO 0.08 0.56 0.02 -0.47 -0.69 0.00 0.00 174.62 174.12 1jbw s TYR 242 N -0.14 3.16 -0.04 4.92 5.04 -0.48 -3.55 117.35 126.26 1jbw s TYR 242 Ca -0.03 0.16 -0.03 0.00 -2.44 0.00 0.00 57.07 54.73 1jbw s TYR 242 Cb -0.14 -1.74 0.01 0.00 0.35 0.00 0.00 41.96 40.45 1jbw s TYR 242 CO 0.04 0.49 0.11 -2.00 -1.34 0.00 0.00 175.55 172.84 1jbw s GLU 243 N -1.28 0.12 0.00 4.97 2.12 -0.32 -0.39 118.70 123.92 1jbw s GLU 243 Ca 0.17 0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.67 1jbw s GLU 243 Cb -0.12 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.30 1jbw s GLU 243 CO 0.07 -0.03 0.00 -0.40 -0.54 0.00 0.00 175.26 174.36 1jbw n ASP 244 N 3.17 0.00 0.00 -1.70 5.68 -0.07 0.32 116.55 123.94 1jbw n ASP 244 Ca -0.14 -0.83 0.01 0.00 -0.50 0.00 0.00 54.79 53.33 1jbw n ASP 244 Cb 0.58 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.62 1jbw n ASP 244 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jbw n GLN 245 N 0.00 0.02 0.00 0.11 1.13 -1.17 -1.18 117.38 116.30 1jbw n GLN 245 Ca 0.00 0.32 0.09 0.00 -1.94 0.00 0.00 57.00 55.47 1jbw n GLN 245 Cb 0.00 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.85 1jbw n GLN 245 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1jbw n ASP 246 N -1.35 1.76 0.00 1.08 8.00 -1.26 -5.09 116.55 119.69 1jbw n ASP 246 Ca 0.01 -1.38 0.00 0.00 0.71 0.00 0.00 54.79 54.13 1jbw n ASP 246 Cb 0.02 0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 1jbw n ASP 246 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jbw n GLY 247 N 1.20 0.58 3.40 0.44 0.00 -0.32 -5.07 105.19 105.42 1jbw n GLY 247 Ca 0.07 -2.19 -0.31 0.00 0.00 0.00 0.00 46.02 43.60 1jbw n GLY 247 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jbw s ARG 248 N -0.32 1.98 -0.26 1.61 0.52 -1.26 -0.89 118.95 120.33 1jbw s ARG 248 Ca 0.00 -1.02 -0.01 0.00 -0.52 0.00 0.00 55.73 54.18 1jbw s ARG 248 Cb 0.00 -2.10 0.04 0.00 0.52 0.00 0.00 34.95 33.40 1jbw s ARG 248 CO 0.00 0.53 -0.06 0.42 0.02 0.00 0.00 175.30 176.22 1jbw s ILE 249 N -0.85 2.78 0.54 1.52 1.01 0.47 -4.98 121.20 121.69 1jbw s ILE 249 Ca 0.13 -1.19 -0.00 0.00 0.00 0.00 0.00 60.65 59.59 1jbw s ILE 249 Cb -0.10 -2.47 0.02 0.00 0.01 0.00 0.00 42.46 39.92 1jbw s ILE 249 CO 0.03 0.11 0.78 -0.44 0.00 0.00 0.00 174.94 175.42 1jbw s SER 250 N 1.28 5.39 -1.31 3.58 0.01 -1.26 -1.38 113.70 120.01 1jbw s SER 250 Ca -0.02 0.15 -0.07 0.00 1.31 0.00 0.00 55.95 57.32 1jbw s SER 250 Cb -0.18 -1.11 0.05 0.00 0.21 0.00 0.00 66.02 64.98 1jbw s SER 250 CO -0.04 -1.07 0.44 0.47 0.41 0.00 0.00 173.24 173.45 1jbw n ASP 251 N -2.34 -4.28 -4.82 2.44 8.00 -1.24 -4.96 116.55 109.35 1jbw n ASP 251 Ca 0.06 -0.27 -0.33 0.00 0.71 0.00 0.00 54.79 54.96 1jbw n ASP 251 Cb 0.59 -3.53 -0.03 0.00 -0.02 0.00 0.00 41.12 38.14 1jbw n ASP 251 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1jbw s LEU 252 N -6.39 3.67 -0.02 0.64 1.43 -0.27 -4.85 118.68 112.88 1jbw s LEU 252 Ca 0.31 1.69 -0.01 0.00 -1.03 0.00 0.00 54.13 55.10 1jbw s LEU 252 Cb -0.16 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.55 1jbw s LEU 252 CO 0.39 -0.72 0.04 -1.61 0.23 0.00 0.00 176.35 174.68 1jbw s GLU 253 N -3.84 0.02 -0.03 1.70 2.02 -1.26 -0.81 118.70 116.50 1jbw s GLU 253 Ca 0.62 0.12 0.03 0.00 0.02 0.00 0.00 54.97 55.75 1jbw s GLU 253 Cb -0.12 -0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.04 1jbw s GLU 253 CO 0.29 -0.06 -0.12 0.54 0.02 0.00 0.00 175.26 175.92 1jbw s VAL 254 N 0.41 1.03 -0.02 2.63 0.11 -0.71 -2.64 120.40 121.20 1jbw s VAL 254 Ca -0.03 -0.50 -0.04 0.00 -2.93 0.00 0.00 61.98 58.48 1jbw s VAL 254 Cb -0.05 -0.90 -0.15 0.00 -1.53 0.00 0.00 36.38 33.75 1jbw s VAL 254 CO -0.01 0.31 2.97 -0.81 -3.33 0.00 0.00 175.10 174.22 1jbw n PRO 255 N 3.23 1.63 -4.27 1.54 -0.04 -1.26 -1.59 135.00 134.24 1jbw n PRO 255 Ca -0.18 -0.66 -0.17 0.00 -0.04 0.00 0.00 63.50 62.44 1jbw n PRO 255 Cb 0.54 -1.62 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 1jbw n PRO 255 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jbw s LEU 256 N -0.08 2.07 0.32 1.53 1.43 -1.26 -4.77 118.68 117.93 1jbw s LEU 256 Ca 0.41 -0.25 0.08 0.00 -1.03 0.00 0.00 54.13 53.34 1jbw s LEU 256 Cb 0.20 -0.39 -0.04 0.00 0.03 0.00 0.00 46.19 45.99 1jbw s LEU 256 CO -0.01 0.04 0.15 0.68 0.23 0.00 0.00 176.35 177.44 1jbw s VAL 257 N -0.46 3.27 0.00 -1.59 -7.23 -1.26 -3.29 120.40 109.84 1jbw s VAL 257 Ca 0.01 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1jbw s VAL 257 Cb -0.05 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 33.87 1jbw s VAL 257 CO 0.00 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 1jbw n GLY 258 N -1.15 2.13 0.34 2.32 0.00 -1.26 -4.75 105.19 102.82 1jbw n GLY 258 Ca -0.04 -1.06 0.13 0.00 0.00 0.00 0.00 46.02 45.06 1jbw n GLY 258 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jbw h ASP 259 N 0.00 0.71 -0.08 1.61 5.19 -1.96 0.09 116.42 121.98 1jbw h ASP 259 Ca 0.00 0.11 0.02 0.00 -0.62 0.00 0.00 57.03 56.54 1jbw h ASP 259 Cb 0.00 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.50 1jbw h ASP 259 CO 0.00 0.21 0.10 0.10 -3.12 0.00 0.00 179.24 176.53 1jbw h TYR 260 N 0.68 0.00 0.00 4.55 -0.00 -1.92 -0.40 116.97 119.88 1jbw h TYR 260 Ca 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 59.29 1jbw h TYR 260 Cb 0.96 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.69 1jbw h TYR 260 CO -0.02 0.00 -0.10 1.96 -0.00 0.00 0.00 178.16 180.00 1jbw h GLN 261 N 0.00 0.00 -0.48 0.10 1.08 -1.26 -1.33 115.11 113.22 1jbw h GLN 261 Ca 0.04 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.19 1jbw h GLN 261 Cb 0.23 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 1jbw h GLN 261 CO -0.00 0.10 0.11 1.96 -0.95 0.00 0.00 178.83 180.05 1jbw h GLN 262 N 0.00 0.72 -0.04 1.46 4.20 -1.19 0.10 115.11 120.37 1jbw h GLN 262 Ca -0.00 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1jbw h GLN 262 Cb 0.53 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1jbw h GLN 262 CO 0.01 0.66 -0.06 0.00 -0.67 0.00 0.00 178.83 178.78 1jbw h ARG 263 N 0.70 0.10 -0.51 1.46 -0.00 -1.37 -1.45 114.38 113.30 1jbw h ARG 263 Ca 0.16 -0.06 0.04 0.00 -0.50 0.00 0.00 59.98 59.62 1jbw h ARG 263 Cb 0.27 0.01 -0.04 0.00 0.00 0.00 0.00 29.97 30.20 1jbw h ARG 263 CO -0.00 0.62 0.26 -0.91 0.00 0.00 0.00 179.97 179.94 1jbw h ASN 264 N -0.41 0.38 -0.55 7.04 -0.26 -1.11 -0.50 115.58 120.18 1jbw h ASN 264 Ca 0.00 0.03 -0.07 0.00 -0.56 0.00 0.00 56.30 55.70 1jbw h ASN 264 Cb 0.61 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.80 1jbw h ASN 264 CO 0.01 0.26 0.09 0.24 -1.06 0.00 0.00 177.43 176.97 1jbw h MET 265 N 0.51 0.91 -0.74 0.81 2.86 -0.83 -0.75 114.93 117.71 1jbw h MET 265 Ca 0.22 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1jbw h MET 265 Cb 0.13 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1jbw h MET 265 CO -0.15 0.88 0.37 0.00 1.06 0.00 0.00 176.91 179.07 1jbw h ALA 266 N 0.99 0.95 -0.43 6.32 0.00 -0.90 0.93 119.26 127.12 1jbw h ALA 266 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1jbw h ALA 266 Cb 0.41 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1jbw h ALA 266 CO 0.01 0.49 0.23 0.82 0.00 0.00 0.00 179.25 180.80 1jbw h ILE 267 N 1.03 1.16 -0.30 0.00 2.04 -0.84 -0.34 117.51 120.26 1jbw h ILE 267 Ca 0.26 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.71 1jbw h ILE 267 Cb 0.09 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1jbw h ILE 267 CO -0.04 0.17 0.14 0.00 0.00 0.00 0.00 178.15 178.42 1jbw h ALA 268 N 1.08 0.36 0.14 1.87 0.00 -0.45 0.16 119.26 122.42 1jbw h ALA 268 Ca 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1jbw h ALA 268 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1jbw h ALA 268 CO -0.02 -0.25 -0.07 0.82 0.00 0.00 0.00 179.25 179.73 1jbw h ILE 269 N 0.29 0.89 -0.63 0.00 2.04 -0.53 0.68 117.51 120.24 1jbw h ILE 269 Ca 0.13 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.93 1jbw h ILE 269 Cb 0.06 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1jbw h ILE 269 CO -0.10 0.02 0.38 -0.61 0.00 0.00 0.00 178.15 177.84 1jbw h GLN 270 N -0.23 0.72 -0.05 2.37 5.75 -0.94 -0.92 115.11 121.81 1jbw h GLN 270 Ca -0.02 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1jbw h GLN 270 Cb 0.18 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 1jbw h GLN 270 CO 0.03 0.47 0.00 1.15 -2.65 0.00 0.00 178.83 177.84 1jbw h THR 271 N 0.74 0.97 -0.88 2.39 2.02 -0.66 -1.13 112.91 116.36 1jbw h THR 271 Ca 0.26 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.43 1jbw h THR 271 Cb 0.05 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1jbw h THR 271 CO -0.12 0.00 0.54 0.00 0.37 0.00 0.00 175.52 176.32 1jbw h ALA 272 N 1.04 1.31 -0.76 6.16 0.00 -0.43 -0.23 119.26 126.34 1jbw h ALA 272 Ca 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1jbw h ALA 272 Cb 0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1jbw h ALA 272 CO -0.03 0.61 0.35 0.87 0.00 0.00 0.00 179.25 181.05 1jbw h LYS 273 N 1.20 1.10 -0.61 0.00 1.57 -0.78 -0.64 116.57 118.41 1jbw h LYS 273 Ca 0.32 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1jbw h LYS 273 Cb -0.08 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.01 1jbw h LYS 273 CO -0.06 0.86 0.21 0.28 -0.57 0.00 0.00 179.45 180.17 1jbw h VAL 274 N 1.07 1.24 0.18 0.50 2.07 -0.52 -0.80 116.25 119.99 1jbw h VAL 274 Ca 0.26 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1jbw h VAL 274 Cb 0.14 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1jbw h VAL 274 CO -0.03 0.30 -0.19 0.22 0.02 0.00 0.00 177.57 177.89 1jbw h TYR 275 N 0.86 -0.50 -0.95 1.57 3.20 -0.54 0.22 116.97 120.83 1jbw h TYR 275 Ca 0.20 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.15 1jbw h TYR 275 Cb 0.25 0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.65 1jbw h TYR 275 CO 0.02 -0.28 0.61 0.00 -1.64 0.00 0.00 178.16 176.87 1jbw h ALA 276 N 0.36 1.49 0.00 1.82 0.00 -0.94 -1.47 119.26 120.53 1jbw h ALA 276 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jbw h ALA 276 Cb 0.39 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1jbw h ALA 276 CO -0.05 0.35 -0.00 -0.22 0.00 0.00 0.00 179.25 179.33 1jbw h LYS 277 N 1.06 -0.00 0.00 0.00 3.64 -0.71 0.66 116.57 121.22 1jbw h LYS 277 Ca 0.42 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1jbw h LYS 277 Cb 0.24 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1jbw h LYS 277 CO -0.17 0.49 -0.01 1.96 -2.27 0.00 0.00 179.45 179.45 1jbw h GLN 278 N -0.50 0.00 -0.23 1.90 1.08 -0.65 -1.15 115.11 115.56 1jbw h GLN 278 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1jbw h GLN 278 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1jbw h GLN 278 CO 0.00 0.01 0.00 0.25 -0.95 0.00 0.00 178.83 178.14 1jbw n THR 279 N -3.25 0.66 -3.71 -0.54 -2.24 -0.58 -4.99 114.28 99.63 1jbw n THR 279 Ca -0.03 -0.83 -0.25 0.00 -2.27 0.00 0.00 64.05 60.68 1jbw n THR 279 Cb 0.10 0.75 0.05 0.00 -2.10 0.00 0.00 70.33 69.13 1jbw n THR 279 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jbw n GLU 280 N 0.56 -6.24 -4.65 -0.78 4.71 -0.22 -4.99 120.64 109.02 1jbw n GLU 280 Ca 0.10 0.70 -0.33 0.00 -0.01 0.00 0.00 57.16 57.62 1jbw n GLU 280 Cb 0.38 -5.59 -0.11 0.00 -1.01 0.00 0.00 31.44 25.11 1jbw n GLU 280 CO 0.00 0.00 0.00 -0.46 0.09 0.00 0.00 177.13 176.76 1jbw s TRP 281 N -3.40 2.86 0.16 -0.32 -0.11 0.21 -5.02 118.94 113.33 1jbw s TRP 281 Ca 0.40 -0.04 -0.30 0.00 1.22 0.00 0.00 56.10 57.38 1jbw s TRP 281 Cb -0.19 -1.66 -0.08 0.00 -1.50 0.00 0.00 33.47 30.03 1jbw s TRP 281 CO 0.78 0.31 1.33 -2.14 -4.62 0.00 0.00 176.95 172.61 1jbw s PRO 282 N -0.94 4.37 -0.18 5.86 0.02 -1.26 -4.45 135.00 138.41 1jbw s PRO 282 Ca 0.13 2.04 -0.04 0.00 0.02 0.00 0.00 61.00 63.15 1jbw s PRO 282 Cb -0.11 -3.22 0.07 0.00 0.02 0.00 0.00 34.50 31.26 1jbw s PRO 282 CO 0.03 -0.31 0.15 -1.17 -0.33 0.00 0.00 177.00 175.37 1jbw s LEU 283 N 0.34 0.12 0.33 -5.54 2.96 -1.26 -4.93 118.68 110.70 1jbw s LEU 283 Ca 0.59 -0.39 0.03 0.00 -0.22 0.00 0.00 54.13 54.14 1jbw s LEU 283 Cb -0.36 0.05 -0.03 0.00 0.50 0.00 0.00 46.19 46.36 1jbw s LEU 283 CO 0.35 -0.33 0.50 0.42 -1.32 0.00 0.00 176.35 175.97 1jbw s THR 284 N 2.23 4.88 0.45 3.68 -4.23 -1.26 -4.98 115.64 116.40 1jbw s THR 284 Ca 0.04 -0.69 0.23 0.00 -1.18 0.00 0.00 61.69 60.09 1jbw s THR 284 Cb -0.16 -3.76 0.26 0.00 1.34 0.00 0.00 72.50 70.19 1jbw s THR 284 CO -0.10 -0.41 2.06 -0.65 -0.54 0.00 0.00 174.62 174.98 1jbw h PRO 285 N 0.85 0.00 -0.31 3.99 0.11 -2.01 -1.40 132.00 133.22 1jbw h PRO 285 Ca -0.49 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1jbw h PRO 285 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1jbw h PRO 285 CO 0.60 0.13 -0.04 1.96 -0.21 0.00 0.00 178.00 180.44 1jbw h GLN 286 N 0.00 0.58 -0.23 1.05 7.50 -1.99 -0.91 115.11 121.12 1jbw h GLN 286 Ca -0.00 -0.20 0.04 0.00 0.50 0.00 0.00 58.65 58.99 1jbw h GLN 286 Cb 0.29 -0.04 -0.04 0.00 0.05 0.00 0.00 27.48 27.74 1jbw h GLN 286 CO 0.02 0.74 -0.03 -0.91 -1.50 0.00 0.00 178.83 177.15 1jbw h ASN 287 N 0.36 -0.15 -0.30 1.46 -0.26 -1.62 -0.89 115.58 114.19 1jbw h ASN 287 Ca 0.08 0.06 0.02 0.00 -0.56 0.00 0.00 56.30 55.90 1jbw h ASN 287 Cb 0.51 0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.86 1jbw h ASN 287 CO 0.02 -0.04 0.16 0.40 -1.06 0.00 0.00 177.43 176.91 1jbw h ILE 288 N 0.04 1.00 -0.79 2.81 2.04 -1.34 -0.00 117.51 121.26 1jbw h ILE 288 Ca 0.11 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1jbw h ILE 288 Cb 0.15 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1jbw h ILE 288 CO -0.21 0.06 0.38 -0.09 0.00 0.00 0.00 178.15 178.29 1jbw h ARG 289 N 0.33 1.14 -0.09 2.37 2.43 -0.92 -0.62 114.38 119.01 1jbw h ARG 289 Ca 0.12 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1jbw h ARG 289 Cb 0.03 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1jbw h ARG 289 CO -0.07 0.88 -0.01 0.37 -1.51 0.00 0.00 179.97 179.63 1jbw h GLN 290 N 1.12 0.17 -0.82 0.20 4.15 -0.93 -2.30 115.11 116.70 1jbw h GLN 290 Ca 0.27 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.64 1jbw h GLN 290 Cb 0.12 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 1jbw h GLN 290 CO -0.03 0.46 0.53 0.78 -1.93 0.00 0.00 178.83 178.64 1jbw h GLY 291 N -0.13 1.15 1.20 2.39 0.00 -0.78 -2.49 103.07 104.42 1jbw h GLY 291 Ca 0.02 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 1jbw h GLY 291 CO 0.01 0.43 0.15 1.41 0.00 0.00 0.00 176.54 178.53 1jbw h LEU 292 N 1.11 0.93 -2.01 3.11 3.38 -1.12 -2.18 115.31 118.53 1jbw h LEU 292 Ca 0.30 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1jbw h LEU 292 Cb -0.12 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.38 1jbw h LEU 292 CO -0.06 0.91 -0.08 0.00 0.09 0.00 0.00 178.44 179.29 1jbw h ALA 293 N 1.21 1.63 -0.11 1.53 0.00 -1.00 -1.86 119.26 120.67 1jbw h ALA 293 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1jbw h ALA 293 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1jbw h ALA 293 CO 0.00 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1jbw n ALA 294 N -2.42 2.48 -0.98 0.00 0.00 -0.87 -4.58 120.51 114.16 1jbw n ALA 294 Ca -0.03 -0.68 -0.25 0.00 0.00 0.00 0.00 53.44 52.49 1jbw n ALA 294 Cb 0.16 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 1jbw n ALA 294 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jbw n SER 295 N 1.02 6.21 -4.75 0.00 7.64 -0.70 -4.92 113.62 118.12 1jbw n SER 295 Ca 0.16 -2.41 -0.40 0.00 1.01 0.00 0.00 58.87 57.23 1jbw n SER 295 Cb 0.52 -1.29 -0.04 0.00 -1.01 0.00 0.00 64.21 62.39 1jbw n SER 295 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1jbw s HIS 296 N 2.36 3.58 -0.28 1.43 3.76 -1.26 -4.61 115.29 120.27 1jbw s HIS 296 Ca 0.55 1.67 -0.01 0.00 -0.15 0.00 0.00 55.06 57.12 1jbw s HIS 296 Cb 0.18 -3.29 0.13 0.00 1.11 0.00 0.00 32.58 30.71 1jbw s HIS 296 CO -0.03 -0.58 0.28 -0.46 -0.85 0.00 0.00 174.74 173.10 1jbw s TRP 297 N -0.97 -0.41 0.72 1.40 -0.00 -1.26 -5.05 118.94 113.36 1jbw s TRP 297 Ca 0.46 -0.12 -0.16 0.00 -0.00 0.00 0.00 56.10 56.27 1jbw s TRP 297 Cb -0.32 -0.45 0.01 0.00 -0.00 0.00 0.00 33.47 32.71 1jbw s TRP 297 CO 0.40 -0.87 1.04 -0.35 -0.00 0.00 0.00 176.95 177.16 1jbw n PRO 298 N 5.31 0.55 -1.37 5.86 -0.04 -1.26 -3.32 135.00 140.73 1jbw n PRO 298 Ca -0.03 0.25 -0.13 0.00 -0.04 0.00 0.00 63.50 63.55 1jbw n PRO 298 Cb 0.47 -2.29 -0.05 0.00 -0.04 0.00 0.00 33.50 31.59 1jbw n PRO 298 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jbw n ALA 299 N -2.52 -0.19 -3.87 0.55 0.00 -1.26 -4.95 120.51 108.26 1jbw n ALA 299 Ca 0.13 0.21 -0.33 0.00 0.00 0.00 0.00 53.44 53.45 1jbw n ALA 299 Cb 0.49 -1.62 -0.13 0.00 0.00 0.00 0.00 19.45 18.19 1jbw n ALA 299 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1jbw s ARG 300 N -2.99 1.99 -1.30 0.00 3.00 -1.21 -2.98 118.95 115.47 1jbw s ARG 300 Ca 0.00 -2.22 -0.18 0.00 0.00 0.00 0.00 55.73 53.33 1jbw s ARG 300 Cb 0.00 -3.45 0.01 0.00 0.00 0.00 0.00 34.95 31.51 1jbw s ARG 300 CO 0.00 -1.07 0.53 1.28 0.00 0.00 0.00 175.30 176.04 1jbw n LEU 301 N 3.84 -1.42 -4.55 2.53 4.77 -1.02 -4.76 117.00 116.39 1jbw n LEU 301 Ca 0.04 -1.17 -0.36 0.00 -0.03 0.00 0.00 56.01 54.49 1jbw n LEU 301 Cb 0.38 -1.93 -0.11 0.00 -2.33 0.00 0.00 43.42 39.43 1jbw n LEU 301 CO 0.31 0.59 -0.25 -0.70 -1.33 0.00 0.00 177.39 176.01 1jbw s GLU 302 N -6.89 3.84 -0.31 3.23 2.12 -0.67 -4.67 118.70 115.36 1jbw s GLU 302 Ca 0.30 -0.39 -0.27 0.00 0.36 0.00 0.00 54.97 54.97 1jbw s GLU 302 Cb -0.14 -3.34 0.01 0.00 0.26 0.00 0.00 34.13 30.92 1jbw s GLU 302 CO 0.93 0.00 0.97 0.21 -0.54 0.00 0.00 175.26 176.84 1jbw s LYS 303 N 1.13 4.04 0.00 4.30 2.20 -1.26 -0.88 119.74 129.27 1jbw s LYS 303 Ca 0.05 0.91 0.10 0.00 -0.36 0.00 0.00 55.97 56.67 1jbw s LYS 303 Cb -0.14 -3.73 0.10 0.00 -1.51 0.00 0.00 37.83 32.55 1jbw s LYS 303 CO 0.04 -0.81 0.86 0.44 -0.36 0.00 0.00 175.35 175.52 1jbw n ILE 304 N 5.71 0.12 -3.67 5.43 -5.35 0.04 -4.98 119.36 116.66 1jbw n ILE 304 Ca 0.09 -0.56 -0.13 0.00 -0.27 0.00 0.00 62.75 61.88 1jbw n ILE 304 Cb 0.47 1.12 -0.08 0.00 -1.74 0.00 0.00 39.64 39.41 1jbw n ILE 304 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1jbw s SER 305 N -0.84 -0.63 -0.22 7.28 0.15 -1.19 -4.97 113.70 113.29 1jbw s SER 305 Ca 0.13 1.19 -0.02 0.00 0.70 0.00 0.00 55.95 57.94 1jbw s SER 305 Cb 0.08 1.18 -0.19 0.00 -1.71 0.00 0.00 66.02 65.38 1jbw s SER 305 CO 0.12 -0.21 -0.05 0.47 1.20 0.00 0.00 173.24 174.78 1jbw n ASP 306 N 3.01 2.02 -3.67 5.45 8.00 -1.26 -1.57 116.55 128.53 1jbw n ASP 306 Ca -0.15 0.01 -0.29 0.00 0.71 0.00 0.00 54.79 55.07 1jbw n ASP 306 Cb 0.56 -0.59 -0.15 0.00 -0.02 0.00 0.00 41.12 40.92 1jbw n ASP 306 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1jbw s THR 307 N -2.53 0.49 0.80 -3.53 2.01 -1.26 -2.05 115.64 109.57 1jbw s THR 307 Ca -0.31 -1.04 -0.11 0.00 0.31 0.00 0.00 61.69 60.54 1jbw s THR 307 Cb 0.09 -1.32 0.07 0.00 0.01 0.00 0.00 72.50 71.35 1jbw s THR 307 CO 0.64 -0.62 1.09 -2.16 -0.69 0.00 0.00 174.62 172.88 1jbw s PRO 308 N 1.82 2.04 -0.38 4.92 0.04 -1.26 -5.08 135.00 137.10 1jbw s PRO 308 Ca 0.08 0.90 -0.29 0.00 0.04 0.00 0.00 61.00 61.72 1jbw s PRO 308 Cb -0.17 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.50 1jbw s PRO 308 CO -0.26 -1.71 1.13 -1.17 0.04 0.00 0.00 177.00 175.03 1jbw s LEU 309 N -5.90 3.80 -0.09 -3.56 0.20 -0.87 -4.56 118.68 107.69 1jbw s LEU 309 Ca 0.61 0.83 0.02 0.00 0.69 0.00 0.00 54.13 56.27 1jbw s LEU 309 Cb -0.16 -3.55 0.02 0.00 -0.43 0.00 0.00 46.19 42.07 1jbw s LEU 309 CO 0.56 -1.07 -0.12 -0.63 -0.29 0.00 0.00 176.35 174.80 1jbw s ILE 310 N 4.10 1.21 0.00 6.68 1.01 -0.61 -0.21 121.20 133.39 1jbw s ILE 310 Ca 0.48 -0.49 0.08 0.00 0.00 0.00 0.00 60.65 60.72 1jbw s ILE 310 Cb -0.11 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 1jbw s ILE 310 CO 0.23 0.38 -0.24 -0.69 0.00 0.00 0.00 174.94 174.62 1jbw s VAL 311 N 0.96 1.94 0.09 2.92 1.01 -0.09 -0.78 120.40 126.45 1jbw s VAL 311 Ca -0.08 -1.14 0.10 0.00 0.00 0.00 0.00 61.98 60.86 1jbw s VAL 311 Cb -0.15 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1jbw s VAL 311 CO -0.00 0.46 -0.25 0.27 0.00 0.00 0.00 175.10 175.58 1jbw s ILE 312 N -0.65 2.31 0.12 2.22 -4.36 -0.06 -0.38 121.20 120.41 1jbw s ILE 312 Ca 0.10 -1.55 -0.13 0.00 -0.26 0.00 0.00 60.65 58.80 1jbw s ILE 312 Cb -0.09 -1.98 0.02 0.00 1.25 0.00 0.00 42.46 41.66 1jbw s ILE 312 CO 0.00 0.22 0.34 -0.62 0.24 0.00 0.00 174.94 175.12 1jbw s ASP 313 N -1.71 -0.11 -0.27 4.36 3.68 -0.28 -1.66 116.67 120.69 1jbw s ASP 313 Ca 0.14 -0.47 0.12 0.00 2.13 0.00 0.00 52.55 54.47 1jbw s ASP 313 Cb -0.10 0.44 0.64 0.00 -1.45 0.00 0.00 42.92 42.45 1jbw s ASP 313 CO 0.05 -0.84 1.62 0.61 0.13 0.00 0.00 175.17 176.74 1jbw n GLY 314 N -0.19 3.96 3.68 2.66 0.00 -1.16 -3.18 105.19 110.96 1jbw n GLY 314 Ca -0.15 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 1jbw n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jbw s ALA 315 N -2.97 3.56 0.00 4.61 0.00 -1.16 -4.34 121.76 121.46 1jbw s ALA 315 Ca 0.49 0.57 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1jbw s ALA 315 Cb 0.40 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1jbw s ALA 315 CO 0.10 -0.92 0.00 -2.39 0.00 0.00 0.00 175.76 172.54 1jbw n HIS 316 N 5.73 0.00 -4.14 0.00 1.44 -1.26 -2.00 115.22 114.99 1jbw n HIS 316 Ca 0.12 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.61 1jbw n HIS 316 Cb 0.46 0.01 -0.05 0.00 0.12 0.00 0.00 29.99 30.52 1jbw n HIS 316 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1jbw s ASN 317 N 0.00 5.34 0.48 4.39 2.20 -1.26 -4.90 114.94 121.19 1jbw s ASN 317 Ca 0.00 -0.31 0.24 0.00 -0.94 0.00 0.00 52.86 51.86 1jbw s ASN 317 Cb 0.00 -1.31 1.28 0.00 -2.00 0.00 0.00 41.25 39.23 1jbw s ASN 317 CO 0.00 -0.02 1.88 1.55 -2.94 0.00 0.00 177.10 177.57 1jbw h PRO 318 N 1.69 0.19 -0.14 3.55 0.13 -1.93 -0.05 132.00 135.43 1jbw h PRO 318 Ca -0.48 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 1jbw h PRO 318 Cb 1.24 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1jbw h PRO 318 CO 0.61 0.13 -0.11 0.22 -0.23 0.00 0.00 178.00 178.62 1jbw h ASP 319 N 0.20 0.34 -0.49 1.44 3.58 -1.96 0.05 116.42 119.58 1jbw h ASP 319 Ca 0.44 -0.45 -0.06 0.00 0.42 0.00 0.00 57.03 57.38 1jbw h ASP 319 Cb 1.42 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 42.35 1jbw h ASP 319 CO -0.09 0.72 0.10 1.23 -2.88 0.00 0.00 179.24 178.32 1jbw h GLY 320 N -0.03 0.92 1.01 -0.78 0.00 -1.78 0.57 103.07 102.98 1jbw h GLY 320 Ca 0.03 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 1jbw h GLY 320 CO 0.03 0.52 0.19 -2.22 0.00 0.00 0.00 176.54 175.06 1jbw h ILE 321 N 0.82 1.24 -0.73 2.60 1.08 -0.85 0.30 117.51 121.97 1jbw h ILE 321 Ca 0.17 -0.83 -0.03 0.00 -0.39 0.00 0.00 64.86 63.78 1jbw h ILE 321 Cb 0.34 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 1jbw h ILE 321 CO 0.00 0.31 0.33 0.78 -0.69 0.00 0.00 178.15 178.89 1jbw h ASN 322 N 0.86 0.97 -0.18 1.72 2.35 -0.49 -0.88 115.58 119.92 1jbw h ASN 322 Ca 0.19 -0.15 -0.12 0.00 -0.55 0.00 0.00 56.30 55.68 1jbw h ASN 322 Cb 0.29 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1jbw h ASN 322 CO -0.01 0.85 -0.28 1.23 -1.65 0.00 0.00 177.43 177.57 1jbw h GLY 323 N 1.03 0.71 0.86 2.83 0.00 -0.35 -2.53 103.07 105.63 1jbw h GLY 323 Ca 0.25 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1jbw h GLY 323 CO -0.03 0.58 0.04 -2.00 0.00 0.00 0.00 176.54 175.13 1jbw h LEU 324 N 0.57 0.15 -0.02 3.11 5.85 -0.01 -1.94 115.31 123.03 1jbw h LEU 324 Ca 0.07 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1jbw h LEU 324 Cb 0.77 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 1jbw h LEU 324 CO 0.06 0.28 0.01 0.40 -0.34 0.00 0.00 178.44 178.86 1jbw h ILE 325 N 0.01 1.02 -0.62 4.05 2.04 -1.09 0.50 117.51 123.42 1jbw h ILE 325 Ca 0.04 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 65.94 1jbw h ILE 325 Cb 0.18 1.02 -0.07 0.00 -0.74 0.00 0.00 36.82 37.21 1jbw h ILE 325 CO -0.00 0.02 0.24 0.74 0.00 0.00 0.00 178.15 179.15 1jbw h THR 326 N 0.01 0.78 0.56 -0.27 2.02 -1.42 -0.24 112.91 114.35 1jbw h THR 326 Ca 0.01 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1jbw h THR 326 Cb 0.01 0.31 0.01 0.00 -1.74 0.00 0.00 68.15 66.74 1jbw h THR 326 CO -0.00 0.08 -0.27 0.00 0.37 0.00 0.00 175.52 175.70 1jbw h ALA 327 N 1.41 -0.76 -0.94 6.16 0.00 -0.88 -2.68 119.26 121.58 1jbw h ALA 327 Ca 0.31 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.19 1jbw h ALA 327 Cb 0.37 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 1jbw h ALA 327 CO -0.30 -0.89 0.60 -0.07 0.00 0.00 0.00 179.25 178.59 1jbw h LEU 328 N -0.83 0.73 -1.29 0.00 3.38 -0.63 0.15 115.31 116.83 1jbw h LEU 328 Ca -0.08 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1jbw h LEU 328 Cb 0.61 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1jbw h LEU 328 CO 0.13 0.36 0.43 0.11 0.09 0.00 0.00 178.44 179.55 1jbw h LYS 329 N 0.77 0.91 0.00 1.13 6.56 -0.88 0.43 116.57 125.49 1jbw h LYS 329 Ca 0.48 -0.07 -0.15 0.00 -1.06 0.00 0.00 60.65 59.85 1jbw h LYS 329 Cb 0.71 -0.20 -0.02 0.00 -0.57 0.00 0.00 32.23 32.15 1jbw h LYS 329 CO -0.24 0.62 -0.92 1.96 -2.06 0.00 0.00 179.45 178.80 1jbw h GLN 330 N 0.93 0.00 0.00 3.15 4.20 -0.60 -3.36 115.11 119.43 1jbw h GLN 330 Ca 0.25 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.79 1jbw h GLN 330 Cb -0.07 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 1jbw h GLN 330 CO -0.05 0.53 -1.09 -0.07 -0.67 0.00 0.00 178.83 177.48 1jbw h LEU 331 N 0.00 0.00 -8.22 1.46 3.38 -0.26 -3.46 115.31 108.20 1jbw h LEU 331 Ca -0.07 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.38 1jbw h LEU 331 Cb 1.55 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 42.00 1jbw h LEU 331 CO 0.07 0.68 -0.83 -0.36 0.09 0.00 0.00 178.44 178.09 1jbw s PHE 332 N -2.86 1.49 -0.40 1.13 0.40 0.09 -5.01 117.98 112.82 1jbw s PHE 332 Ca -0.00 -0.35 0.09 0.00 -0.60 0.00 0.00 56.93 56.06 1jbw s PHE 332 Cb 0.08 -0.99 0.43 0.00 0.51 0.00 0.00 43.02 43.06 1jbw s PHE 332 CO 0.79 -0.09 1.07 -1.13 0.70 0.00 0.00 175.22 176.57 1jbw n SER 333 N 2.93 3.81 -3.85 1.36 3.41 -1.26 -4.67 113.62 115.35 1jbw n SER 333 Ca -0.16 -3.44 -0.09 0.00 -0.26 0.00 0.00 58.87 54.92 1jbw n SER 333 Cb 0.54 -0.48 -0.04 0.00 -0.26 0.00 0.00 64.21 63.97 1jbw n SER 333 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jbw s GLN 334 N -3.43 1.51 0.24 4.33 -2.07 -1.26 -5.15 119.66 113.82 1jbw s GLN 334 Ca 0.42 -1.01 -0.30 0.00 -1.82 0.00 0.00 55.36 52.65 1jbw s GLN 334 Cb 0.42 0.52 -0.09 0.00 -1.09 0.00 0.00 33.01 32.77 1jbw s GLN 334 CO -0.12 -0.65 1.17 -2.14 -1.32 0.00 0.00 175.29 172.23 1jbw s PRO 335 N -3.93 4.54 0.21 9.60 0.02 -1.26 -5.02 135.00 139.16 1jbw s PRO 335 Ca 0.14 1.88 0.04 0.00 0.02 0.00 0.00 61.00 63.08 1jbw s PRO 335 Cb -0.02 -3.20 -0.05 0.00 0.02 0.00 0.00 34.50 31.25 1jbw s PRO 335 CO 0.03 0.02 -0.04 0.96 -0.33 0.00 0.00 177.00 177.64 1jbw s ILE 336 N -0.59 1.15 -0.03 2.83 -4.36 -1.26 -4.05 121.20 114.88 1jbw s ILE 336 Ca 0.49 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 58.83 1jbw s ILE 336 Cb -0.33 -2.21 -0.03 0.00 1.25 0.00 0.00 42.46 41.14 1jbw s ILE 336 CO 0.40 -0.45 -0.02 -0.89 0.24 0.00 0.00 174.94 174.22 1jbw s THR 337 N -3.35 4.01 -0.09 8.37 2.01 -0.22 -2.77 115.64 123.61 1jbw s THR 337 Ca 0.25 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1jbw s THR 337 Cb 0.04 -2.73 0.01 0.00 0.01 0.00 0.00 72.50 69.84 1jbw s THR 337 CO 0.07 0.47 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.64 1jbw s VAL 338 N -0.97 1.36 -0.26 3.82 1.01 0.83 -1.27 120.40 124.91 1jbw s VAL 338 Ca 0.16 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 1jbw s VAL 338 Cb -0.11 -1.24 -0.00 0.00 0.00 0.00 0.00 36.38 35.03 1jbw s VAL 338 CO 0.06 0.41 0.03 -0.63 0.00 0.00 0.00 175.10 174.97 1jbw s ILE 339 N 0.84 3.77 -0.08 2.22 1.01 -0.03 -0.33 121.20 128.60 1jbw s ILE 339 Ca -0.10 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.00 1jbw s ILE 339 Cb -0.15 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 1jbw s ILE 339 CO 0.01 0.23 -0.16 0.00 0.00 0.00 0.00 174.94 175.02 1jbw s ALA 340 N 1.50 2.54 -0.90 9.38 0.00 0.14 -1.17 121.76 133.25 1jbw s ALA 340 Ca 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1jbw s ALA 340 Cb -0.16 -0.98 0.32 0.00 0.00 0.00 0.00 23.12 22.30 1jbw s ALA 340 CO 0.00 0.42 1.49 0.41 0.00 0.00 0.00 175.76 178.08 1jbw n GLY 341 N 2.86 5.78 0.93 0.00 0.00 -0.43 0.26 105.19 114.59 1jbw n GLY 341 Ca -0.18 -2.66 0.08 0.00 0.00 0.00 0.00 46.02 43.27 1jbw n GLY 341 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jbw n ILE 342 N 0.17 0.91 0.07 -0.61 -5.35 -1.24 -4.38 119.36 108.92 1jbw n ILE 342 Ca 0.39 -0.96 0.00 0.00 -0.27 0.00 0.00 62.75 61.91 1jbw n ILE 342 Cb 0.31 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 38.79 1jbw n ILE 342 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1jbw n LEU 343 N 1.01 0.01 -0.09 7.28 4.77 -1.25 -3.33 117.00 125.39 1jbw n LEU 343 Ca 0.17 -0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.05 1jbw n LEU 343 Cb 0.50 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1jbw n LEU 343 CO 0.12 0.00 -0.69 0.00 -1.33 0.00 0.00 177.39 175.49 1jbw n ALA 344 N -0.27 0.90 -1.77 -1.18 0.00 -1.26 -5.02 120.51 111.91 1jbw n ALA 344 Ca 0.00 -0.82 -0.33 0.00 0.00 0.00 0.00 53.44 52.29 1jbw n ALA 344 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 1jbw n ALA 344 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1jbw s ASP 345 N -5.94 6.29 0.31 0.00 -4.77 -1.21 -4.88 116.67 106.46 1jbw s ASP 345 Ca -0.29 1.78 -0.00 0.00 -3.30 0.00 0.00 52.55 50.73 1jbw s ASP 345 Cb 0.04 -2.54 0.51 0.00 -1.09 0.00 0.00 42.92 39.84 1jbw s ASP 345 CO 0.43 -0.82 1.95 0.11 0.70 0.00 0.00 175.17 177.54 1jbw h LYS 346 N 1.06 1.02 -0.70 2.11 1.57 -1.95 0.28 116.57 119.95 1jbw h LYS 346 Ca -0.48 -0.06 0.29 0.00 -1.87 0.00 0.00 60.65 58.53 1jbw h LYS 346 Cb 1.21 -0.23 -0.12 0.00 0.08 0.00 0.00 32.23 33.16 1jbw h LYS 346 CO 0.59 0.67 0.38 -0.40 -0.57 0.00 0.00 179.45 180.13 1jbw n ASP 347 N -4.45 0.24 0.00 0.86 5.75 -1.26 -2.72 116.55 114.97 1jbw n ASP 347 Ca 0.11 1.15 0.00 0.00 -0.01 0.00 0.00 54.79 56.04 1jbw n ASP 347 Cb 0.11 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 1jbw n ASP 347 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jbw n TYR 348 N -4.56 0.00 -0.33 2.11 9.36 0.97 -2.00 117.16 122.71 1jbw n TYR 348 Ca 0.27 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.68 1jbw n TYR 348 Cb 0.91 -0.02 0.40 0.00 -0.63 0.00 0.00 39.34 40.00 1jbw n TYR 348 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1jbw h ALA 349 N -0.50 1.73 -0.07 2.98 0.00 -1.76 -1.52 119.26 120.12 1jbw h ALA 349 Ca 0.00 0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.88 1jbw h ALA 349 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1jbw h ALA 349 CO 0.00 -0.47 -0.81 0.00 0.00 0.00 0.00 179.25 177.97 1jbw h ALA 350 N 1.80 0.45 -0.69 0.00 0.00 -1.66 -1.86 119.26 117.30 1jbw h ALA 350 Ca 0.66 -0.63 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1jbw h ALA 350 Cb 1.41 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1jbw h ALA 350 CO -0.59 0.75 0.14 0.52 0.00 0.00 0.00 179.25 180.08 1jbw h MET 351 N 0.34 1.13 -0.51 0.00 2.86 -1.22 -1.86 114.93 115.66 1jbw h MET 351 Ca -0.05 -0.29 -0.10 0.00 -2.06 0.00 0.00 59.70 57.20 1jbw h MET 351 Cb 1.41 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.91 1jbw h MET 351 CO 0.15 1.01 -0.08 0.00 1.06 0.00 0.00 176.91 179.05 1jbw h ALA 352 N 1.07 0.90 -0.88 6.32 0.00 -1.23 -0.94 119.26 124.50 1jbw h ALA 352 Ca 0.21 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1jbw h ALA 352 Cb 0.41 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1jbw h ALA 352 CO 0.01 0.64 0.58 0.22 0.00 0.00 0.00 179.25 180.69 1jbw h ASP 353 N 0.84 0.97 0.13 0.00 1.82 -0.90 0.87 116.42 120.15 1jbw h ASP 353 Ca 0.14 -0.02 -0.13 0.00 -0.39 0.00 0.00 57.03 56.63 1jbw h ASP 353 Cb 0.60 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.37 1jbw h ASP 353 CO 0.04 0.69 -0.46 0.03 -1.61 0.00 0.00 179.24 177.92 1jbw h ARG 354 N 1.14 0.40 0.15 0.28 2.47 -0.85 -0.19 114.38 117.77 1jbw h ARG 354 Ca 0.33 -0.21 -0.01 0.00 -1.26 0.00 0.00 59.98 58.83 1jbw h ARG 354 Cb -0.05 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 1jbw h ARG 354 CO -0.09 0.78 -0.07 -0.07 0.56 0.00 0.00 179.97 181.08 1jbw h LEU 355 N 0.32 -0.17 -2.29 3.04 3.38 -0.43 -2.78 115.31 116.38 1jbw h LEU 355 Ca 0.02 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1jbw h LEU 355 Cb 0.94 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1jbw h LEU 355 CO 0.08 0.41 -0.04 0.71 0.09 0.00 0.00 178.44 179.70 1jbw h THR 356 N -0.93 0.24 0.00 0.22 1.35 -0.92 0.19 112.91 113.06 1jbw h THR 356 Ca -0.02 -0.27 -0.15 0.00 -0.55 0.00 0.00 66.41 65.42 1jbw h THR 356 Cb 0.49 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.10 1jbw h THR 356 CO 0.03 0.04 -0.69 0.00 -0.25 0.00 0.00 175.52 174.65 1jbw h ALA 357 N 1.96 0.71 0.00 6.62 0.00 -1.05 -3.35 119.26 124.15 1jbw h ALA 357 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1jbw h ALA 357 Cb 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jbw h ALA 357 CO 0.00 0.87 -1.78 0.00 0.00 0.00 0.00 179.25 178.34 1jbw n ALA 358 N -2.34 2.66 -2.44 0.00 0.00 -0.22 -5.04 120.51 113.13 1jbw n ALA 358 Ca -0.00 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.80 1jbw n ALA 358 Cb 0.73 -0.60 -0.10 0.00 0.00 0.00 0.00 19.45 19.48 1jbw n ALA 358 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1jbw s PHE 359 N -3.20 2.12 0.12 0.00 0.40 0.48 -5.07 117.98 112.83 1jbw s PHE 359 Ca -0.06 -0.44 -0.15 0.00 -0.60 0.00 0.00 56.93 55.68 1jbw s PHE 359 Cb 0.11 -0.98 -0.04 0.00 0.51 0.00 0.00 43.02 42.62 1jbw s PHE 359 CO 0.72 0.58 1.53 0.77 0.70 0.00 0.00 175.22 179.52 1jbw h SER 360 N 2.33 0.69 -3.35 1.36 0.02 -1.88 -3.44 113.55 109.28 1jbw h SER 360 Ca -0.40 -0.35 -0.40 0.00 -0.84 0.00 0.00 61.79 59.80 1jbw h SER 360 Cb 1.25 -0.19 -0.37 0.00 0.14 0.00 0.00 62.40 63.23 1jbw h SER 360 CO 0.62 0.89 -0.76 -0.89 -1.14 0.00 0.00 176.83 175.55 1jbw s THR 361 N -4.82 0.26 -0.09 -2.27 2.01 -1.11 -5.05 115.64 104.57 1jbw s THR 361 Ca -0.13 0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.03 1jbw s THR 361 Cb 0.10 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 72.21 1jbw s THR 361 CO 0.80 0.21 -0.13 -0.69 -0.69 0.00 0.00 174.62 174.12 1jbw s VAL 362 N 1.64 1.29 -0.04 3.82 1.01 -1.26 -0.12 120.40 126.75 1jbw s VAL 362 Ca -0.01 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.50 1jbw s VAL 362 Cb -0.13 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 1jbw s VAL 362 CO -0.03 0.40 -0.22 -0.31 0.00 0.00 0.00 175.10 174.93 1jbw s TYR 363 N 0.88 2.46 -0.17 5.22 1.51 0.56 -4.55 117.35 123.27 1jbw s TYR 363 Ca -0.10 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.53 1jbw s TYR 363 Cb -0.15 -1.56 -0.02 0.00 -0.11 0.00 0.00 41.96 40.12 1jbw s TYR 363 CO 0.01 -0.00 -0.06 -0.51 -1.11 0.00 0.00 175.55 173.88 1jbw s LEU 364 N -0.57 3.05 0.18 -1.29 1.43 0.34 0.27 118.68 122.10 1jbw s LEU 364 Ca 0.08 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1jbw s LEU 364 Cb -0.11 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 1jbw s LEU 364 CO 0.00 0.12 0.02 0.68 0.23 0.00 0.00 176.35 177.40 1jbw s VAL 365 N 0.64 0.61 0.95 -1.59 -7.23 0.14 -1.49 120.40 112.44 1jbw s VAL 365 Ca -0.03 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.01 1jbw s VAL 365 Cb -0.15 -2.18 0.18 0.00 0.56 0.00 0.00 36.38 34.79 1jbw s VAL 365 CO 0.02 -0.41 1.24 -2.16 -0.31 0.00 0.00 175.10 173.48 1jbw s PRO 366 N -3.94 0.76 -0.07 4.82 0.04 -1.26 -3.72 135.00 131.63 1jbw s PRO 366 Ca 0.26 -0.17 -0.04 0.00 0.04 0.00 0.00 61.00 61.09 1jbw s PRO 366 Cb 0.06 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 1jbw s PRO 366 CO 0.05 -2.37 0.10 0.08 0.04 0.00 0.00 177.00 174.90 1jbw s VAL 367 N -3.64 5.03 -0.07 -0.36 1.01 -1.26 -4.71 120.40 116.41 1jbw s VAL 367 Ca 0.70 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.29 1jbw s VAL 367 Cb -0.07 -3.22 -0.07 0.00 0.00 0.00 0.00 36.38 33.01 1jbw s VAL 367 CO 0.53 0.52 1.98 -2.84 0.00 0.00 0.00 175.10 175.28 1jbw s PRO 368 N -1.28 3.81 0.00 2.72 0.02 -1.26 -2.30 135.00 136.72 1jbw s PRO 368 Ca 0.18 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.50 1jbw s PRO 368 Cb -0.12 -4.20 0.00 0.00 0.02 0.00 0.00 34.50 30.20 1jbw s PRO 368 CO 0.08 -1.32 0.00 0.41 -0.33 0.00 0.00 177.00 175.84 1jbw n GLY 369 N 4.88 0.79 0.00 0.52 0.00 -1.26 -4.96 105.19 105.16 1jbw n GLY 369 Ca 0.22 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1jbw n GLY 369 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1jbw n THR 370 N -1.15 0.00 0.00 2.61 5.66 -0.97 -5.18 114.28 115.24 1jbw n THR 370 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1jbw n THR 370 Cb 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 1jbw n THR 370 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1jbw n ARG 386 N 0.00 0.00 -2.03 1.09 1.74 -1.26 -5.10 116.66 111.10 1jbw n ARG 386 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 1jbw n ARG 386 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 1jbw n ARG 386 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jbw s LEU 387 N 0.00 4.39 0.06 0.55 2.01 -1.26 -0.50 118.68 123.93 1jbw s LEU 387 Ca 0.00 2.64 0.01 0.00 0.01 0.00 0.00 54.13 56.79 1jbw s LEU 387 Cb 0.00 -3.62 -0.03 0.00 0.01 0.00 0.00 46.19 42.54 1jbw s LEU 387 CO 0.00 -0.69 -0.05 -0.54 1.01 0.00 0.00 176.35 176.08 1jbw s LYS 388 N -0.34 0.63 0.29 1.70 -0.14 -0.55 -4.87 119.74 116.46 1jbw s LYS 388 Ca 0.59 -1.08 0.16 0.00 -1.36 0.00 0.00 55.97 54.28 1jbw s LYS 388 Cb -0.41 -0.06 0.15 0.00 -1.68 0.00 0.00 37.83 35.83 1jbw s LYS 388 CO 0.43 -0.03 1.48 -0.44 -0.76 0.00 0.00 175.35 176.03 1jbw h ASP 389 N 3.58 0.00 -5.10 2.83 3.32 -1.95 -3.40 116.42 115.70 1jbw h ASP 389 Ca -0.35 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.66 1jbw h ASP 389 Cb 1.17 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.61 1jbw h ASP 389 CO 0.57 0.49 -0.04 -0.94 -1.72 0.00 0.00 179.24 177.60 1jbw s SER 390 N -6.45 -0.23 0.31 6.45 1.04 -1.26 -4.41 113.70 109.15 1jbw s SER 390 Ca 0.03 -0.45 0.04 0.00 0.48 0.00 0.00 55.95 56.05 1jbw s SER 390 Cb 0.08 0.53 0.52 0.00 0.10 0.00 0.00 66.02 67.25 1jbw s SER 390 CO 0.74 -0.97 1.80 4.11 0.98 0.00 0.00 173.24 179.90 1jbw h TRP 391 N 2.28 0.51 -0.81 5.02 5.08 -1.91 -2.49 115.95 123.63 1jbw h TRP 391 Ca -0.31 -0.08 0.04 0.00 1.08 0.00 0.00 58.89 59.62 1jbw h TRP 391 Cb 1.26 -0.14 -0.05 0.00 -3.00 0.00 0.00 29.16 27.23 1jbw h TRP 391 CO 0.34 0.60 0.51 1.96 -1.28 0.00 0.00 178.44 180.58 1jbw h GLN 392 N 0.44 0.96 -0.34 0.12 7.50 -1.99 -0.13 115.11 121.67 1jbw h GLN 392 Ca 0.08 -0.06 -0.11 0.00 0.50 0.00 0.00 58.65 59.07 1jbw h GLN 392 Cb 0.50 -0.22 -0.01 0.00 0.05 0.00 0.00 27.48 27.80 1jbw h GLN 392 CO 0.03 0.63 -0.22 0.93 -1.50 0.00 0.00 178.83 178.70 1jbw h GLU 393 N 0.99 0.66 -0.15 1.46 5.08 -1.87 -1.69 114.58 119.06 1jbw h GLU 393 Ca 0.33 -0.26 -0.17 0.00 -1.00 0.00 0.00 59.36 58.27 1jbw h GLU 393 Cb 0.05 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1jbw h GLU 393 CO -0.13 0.83 -0.60 0.00 -1.00 0.00 0.00 179.01 178.11 1jbw h ALA 394 N 1.17 0.67 -0.21 3.43 0.00 -1.04 -1.21 119.26 122.08 1jbw h ALA 394 Ca 0.08 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1jbw h ALA 394 Cb 0.70 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1jbw h ALA 394 CO 0.05 0.71 -0.07 1.25 0.00 0.00 0.00 179.25 181.19 1jbw h LEU 395 N 0.37 0.42 -0.89 0.00 5.85 -0.83 -0.23 115.31 120.00 1jbw h LEU 395 Ca -0.00 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.35 1jbw h LEU 395 Cb 1.15 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1jbw h LEU 395 CO 0.11 0.71 0.59 0.00 -0.34 0.00 0.00 178.44 179.51 1jbw h ALA 396 N 0.73 1.15 0.36 1.25 0.00 -1.27 -0.43 119.26 121.05 1jbw h ALA 396 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1jbw h ALA 396 Cb 0.53 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1jbw h ALA 396 CO 0.02 0.49 -0.27 0.00 0.00 0.00 0.00 179.25 179.49 1jbw h ALA 397 N 1.34 -0.63 -0.31 0.00 0.00 -0.89 -2.77 119.26 116.01 1jbw h ALA 397 Ca 0.34 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1jbw h ALA 397 Cb -0.08 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1jbw h ALA 397 CO -0.09 -0.88 -0.01 1.03 0.00 0.00 0.00 179.25 179.31 1jbw h SER 398 N -0.63 -0.14 0.21 0.00 0.87 -0.49 -0.29 113.55 113.08 1jbw h SER 398 Ca -0.03 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1jbw h SER 398 Cb 0.55 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1jbw h SER 398 CO -0.00 -0.03 0.00 0.18 -0.53 0.00 0.00 176.83 176.44 1jbw n LEU 399 N -5.18 0.00 -0.05 2.23 4.77 -0.22 -0.43 117.00 118.13 1jbw n LEU 399 Ca 0.00 0.46 -0.05 0.00 -0.03 0.00 0.00 56.01 56.40 1jbw n LEU 399 Cb 0.16 -0.46 -0.08 0.00 -2.33 0.00 0.00 43.42 40.71 1jbw n LEU 399 CO 0.22 -0.36 -0.83 0.59 -1.33 0.00 0.00 177.39 175.68 1jbw n ASN 400 N -1.46 2.51 -0.02 -1.43 5.03 -0.33 -4.22 115.26 115.33 1jbw n ASN 400 Ca 0.02 0.00 0.05 0.00 0.87 0.00 0.00 54.58 55.52 1jbw n ASN 400 Cb 0.07 0.75 -0.13 0.00 -1.02 0.00 0.00 39.78 39.45 1jbw n ASN 400 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1jbw n ASP 401 N -2.37 1.03 -2.77 6.41 8.00 -0.27 -4.65 116.55 121.93 1jbw n ASP 401 Ca -0.16 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.23 1jbw n ASP 401 Cb 0.83 1.61 0.02 0.00 -0.02 0.00 0.00 41.12 43.56 1jbw n ASP 401 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1jbw n VAL 402 N -2.20 0.73 -0.34 2.53 0.24 0.43 -4.96 118.33 114.75 1jbw n VAL 402 Ca -0.08 -3.31 0.36 0.00 -2.04 0.00 0.00 64.34 59.28 1jbw n VAL 402 Cb 0.57 0.50 0.74 0.00 -1.47 0.00 0.00 33.84 34.18 1jbw n VAL 402 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1jbw h PRO 403 N 2.97 0.00 -0.00 7.34 0.11 -1.70 0.18 132.00 140.90 1jbw h PRO 403 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1jbw h PRO 403 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1jbw h PRO 403 CO 0.48 0.00 -0.02 -0.40 -0.21 0.00 0.00 178.00 177.85 1jbw n ASP 404 N -4.05 0.34 -4.65 -2.05 5.75 -1.26 -4.82 116.55 105.82 1jbw n ASP 404 Ca 0.27 -0.87 -0.36 0.00 -0.01 0.00 0.00 54.79 53.82 1jbw n ASP 404 Cb 1.33 -0.06 -0.10 0.00 -1.03 0.00 0.00 41.12 41.27 1jbw n ASP 404 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1jbw s GLN 405 N -2.18 4.03 0.85 0.11 -0.21 0.65 -4.92 119.66 117.98 1jbw s GLN 405 Ca 0.39 -0.30 -0.10 0.00 0.02 0.00 0.00 55.36 55.37 1jbw s GLN 405 Cb 0.21 -3.44 0.10 0.00 1.00 0.00 0.00 33.01 30.88 1jbw s GLN 405 CO 0.40 0.11 1.13 -2.14 -2.12 0.00 0.00 175.29 172.67 1jbw s PRO 406 N 0.88 1.57 -0.11 2.91 0.02 -1.26 -4.65 135.00 134.37 1jbw s PRO 406 Ca 0.07 1.41 0.03 0.00 0.02 0.00 0.00 61.00 62.52 1jbw s PRO 406 Cb -0.13 -1.80 -0.00 0.00 0.02 0.00 0.00 34.50 32.59 1jbw s PRO 406 CO 0.03 -2.20 -0.22 0.42 -0.33 0.00 0.00 177.00 174.71 1jbw s ILE 407 N -2.72 2.25 -0.21 2.83 1.09 0.70 -1.06 121.20 124.08 1jbw s ILE 407 Ca 0.65 -0.95 -0.03 0.00 -1.10 0.00 0.00 60.65 59.23 1jbw s ILE 407 Cb -0.21 -1.88 -0.00 0.00 -1.06 0.00 0.00 42.46 39.31 1jbw s ILE 407 CO 0.56 0.55 -0.08 -0.69 -0.10 0.00 0.00 174.94 175.18 1jbw s VAL 408 N 0.42 3.06 -0.25 2.92 1.01 -0.40 -0.91 120.40 126.24 1jbw s VAL 408 Ca -0.16 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 1jbw s VAL 408 Cb -0.17 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1jbw s VAL 408 CO 0.07 0.45 0.07 -0.63 0.00 0.00 0.00 175.10 175.06 1jbw s ILE 409 N 1.42 4.31 0.07 2.22 1.01 0.49 -0.85 121.20 129.88 1jbw s ILE 409 Ca 0.05 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.51 1jbw s ILE 409 Cb -0.14 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1jbw s ILE 409 CO -0.05 0.32 -0.06 0.28 0.00 0.00 0.00 174.94 175.43 1jbw s THR 410 N 1.61 0.53 -5.00 2.92 -1.32 -0.31 -1.12 115.64 112.95 1jbw s THR 410 Ca 0.06 -1.73 0.00 0.00 -1.21 0.00 0.00 61.69 58.81 1jbw s THR 410 Cb -0.15 -1.42 0.00 0.00 -1.51 0.00 0.00 72.50 69.42 1jbw s THR 410 CO 0.04 -0.82 0.00 0.61 -2.21 0.00 0.00 174.62 172.24 1jbw n GLY 411 N 0.29 -0.23 3.42 6.08 0.00 -0.85 -1.31 105.19 112.59 1jbw n GLY 411 Ca -0.15 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 1jbw n GLY 411 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jbw n SER 412 N 0.00 -1.84 0.25 1.61 3.41 -1.26 -2.98 113.62 112.80 1jbw n SER 412 Ca 0.00 -0.11 0.17 0.00 -0.26 0.00 0.00 58.87 58.67 1jbw n SER 412 Cb 0.00 -1.18 0.69 0.00 -0.26 0.00 0.00 64.21 63.46 1jbw n SER 412 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1jbw h LEU 413 N -2.45 0.00 -0.95 1.04 3.38 -1.87 -2.77 115.31 111.68 1jbw h LEU 413 Ca -0.58 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.35 1jbw h LEU 413 Cb 1.34 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 1jbw h LEU 413 CO 0.45 0.00 0.25 1.88 0.09 0.00 0.00 178.44 181.11 1jbw h TYR 414 N 0.00 1.03 -0.04 1.13 -1.99 -1.93 0.60 116.97 115.78 1jbw h TYR 414 Ca 0.00 -0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.62 1jbw h TYR 414 Cb 0.42 -0.31 0.00 0.00 2.00 0.00 0.00 36.73 38.84 1jbw h TYR 414 CO 0.00 0.80 -0.10 1.25 -0.00 0.00 0.00 178.16 180.10 1jbw h LEU 415 N 0.99 0.16 -0.58 3.88 5.85 -1.82 -1.23 115.31 122.56 1jbw h LEU 415 Ca 0.23 -0.60 0.07 0.00 0.84 0.00 0.00 57.88 58.42 1jbw h LEU 415 Cb 0.22 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1jbw h LEU 415 CO -0.02 0.73 0.27 0.00 -0.34 0.00 0.00 178.44 179.08 1jbw h ALA 416 N 0.44 0.76 -0.08 1.25 0.00 -1.42 -0.30 119.26 119.90 1jbw h ALA 416 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jbw h ALA 416 Cb 0.71 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1jbw h ALA 416 CO 0.02 -0.11 0.05 1.03 0.00 0.00 0.00 179.25 180.25 1jbw h SER 417 N 0.49 0.10 -0.81 0.00 0.87 0.20 0.14 113.55 114.54 1jbw h SER 417 Ca 0.28 -0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.86 1jbw h SER 417 Cb 0.26 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 1jbw h SER 417 CO -0.23 0.08 0.53 0.00 -0.53 0.00 0.00 176.83 176.68 1jbw h ALA 418 N 1.02 1.52 -0.28 6.23 0.00 -0.55 0.10 119.26 127.31 1jbw h ALA 418 Ca 0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1jbw h ALA 418 Cb -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1jbw h ALA 418 CO -0.01 0.39 -0.15 0.28 0.00 0.00 0.00 179.25 179.76 1jbw h VAL 419 N 0.98 1.30 -0.37 0.00 2.07 -0.54 -2.08 116.25 117.61 1jbw h VAL 419 Ca 0.32 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 1jbw h VAL 419 Cb 0.06 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1jbw h VAL 419 CO -0.10 0.40 0.17 -0.09 0.02 0.00 0.00 177.57 177.97 1jbw h ARG 420 N 0.33 0.55 -0.55 1.57 2.43 -0.10 0.04 114.38 118.65 1jbw h ARG 420 Ca 0.06 -0.09 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1jbw h ARG 420 Cb 0.68 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 1jbw h ARG 420 CO 0.04 0.51 0.31 1.96 -1.51 0.00 0.00 179.97 181.28 1jbw h GLN 421 N 0.46 0.58 -0.15 0.20 4.20 -0.84 0.37 115.11 119.93 1jbw h GLN 421 Ca 0.13 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1jbw h GLN 421 Cb 0.15 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1jbw h GLN 421 CO -0.01 0.38 -0.02 1.15 -0.67 0.00 0.00 178.83 179.66 1jbw h THR 422 N 0.60 1.27 0.00 -0.54 2.02 -1.11 -1.08 112.91 114.08 1jbw h THR 422 Ca 0.23 -0.93 -0.15 0.00 0.77 0.00 0.00 66.41 66.33 1jbw h THR 422 Cb 0.09 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1jbw h THR 422 CO -0.13 0.27 -0.89 -0.07 0.37 0.00 0.00 175.52 175.07 1jbw h LEU 423 N -0.01 0.00 0.00 2.58 3.38 -0.90 -3.42 115.31 116.94 1jbw h LEU 423 Ca 0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1jbw h LEU 423 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1jbw h LEU 423 CO 0.01 0.65 -1.42 0.18 0.09 0.00 0.00 178.44 177.96 1jbw n LEU 424 N -3.16 1.69 -0.55 1.67 4.77 0.13 -5.08 117.00 116.48 1jbw n LEU 424 Ca -0.02 0.03 0.07 0.00 -0.03 0.00 0.00 56.01 56.06 1jbw n LEU 424 Cb 0.82 -0.24 0.06 0.00 -2.33 0.00 0.00 43.42 41.73 1jbw n LEU 424 CO 0.43 0.38 0.47 0.61 -1.33 0.00 0.00 177.39 177.94