#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbv n ASN 2 N 0.00 1.38 -0.09 7.83 0.23 -1.26 -4.83 115.26 118.52 1jbv n ASN 2 Ca 0.00 -2.11 -0.07 0.00 -0.53 0.00 0.00 54.58 51.87 1jbv n ASN 2 Cb 0.00 -0.54 0.00 0.00 -2.08 0.00 0.00 39.78 37.16 1jbv n ASN 2 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1jbv h TYR 3 N -0.43 0.18 -0.48 -2.53 3.20 -1.99 0.87 116.97 115.79 1jbv h TYR 3 Ca -0.29 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.53 1jbv h TYR 3 Cb 1.11 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 1jbv h TYR 3 CO 0.00 0.07 0.02 1.15 -1.64 0.00 0.00 178.16 177.76 1jbv h THR 4 N 0.23 1.24 -0.12 1.81 2.02 -1.98 -1.73 112.91 114.38 1jbv h THR 4 Ca 0.14 -0.96 -0.17 0.00 0.77 0.00 0.00 66.41 66.20 1jbv h THR 4 Cb 0.12 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1jbv h THR 4 CO -0.16 0.34 -0.63 -0.33 0.37 0.00 0.00 175.52 175.11 1jbv h GLU 5 N 0.73 0.43 -0.37 6.66 5.08 -1.86 -2.43 114.58 122.82 1jbv h GLU 5 Ca 0.15 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1jbv h GLU 5 Cb 0.42 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1jbv h GLU 5 CO 0.02 0.92 0.19 1.15 -1.00 0.00 0.00 179.01 180.29 1jbv h THR 6 N 0.31 1.16 -0.68 1.13 2.02 -0.38 0.31 112.91 116.79 1jbv h THR 6 Ca -0.01 -0.44 -0.07 0.00 0.77 0.00 0.00 66.41 66.66 1jbv h THR 6 Cb 1.18 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 1jbv h THR 6 CO 0.11 0.17 0.15 0.58 0.37 0.00 0.00 175.52 176.90 1jbv h VAL 7 N 0.47 1.26 -0.74 3.16 2.07 -1.31 -0.77 116.25 120.40 1jbv h VAL 7 Ca 0.13 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 1jbv h VAL 7 Cb 0.09 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1jbv h VAL 7 CO -0.02 0.37 0.31 0.00 0.02 0.00 0.00 177.57 178.26 1jbv h ALA 8 N 1.07 0.96 0.26 1.67 0.00 -1.14 -1.75 119.26 120.33 1jbv h ALA 8 Ca 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jbv h ALA 8 Cb 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1jbv h ALA 8 CO 0.01 0.57 -0.21 -0.92 0.00 0.00 0.00 179.25 178.70 1jbv h TYR 9 N 1.06 -0.55 -0.69 0.00 3.20 0.19 -1.89 116.97 118.29 1jbv h TYR 9 Ca 0.25 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.24 1jbv h TYR 9 Cb 0.19 0.21 -0.09 0.00 1.54 0.00 0.00 36.73 38.58 1jbv h TYR 9 CO 0.02 -0.32 0.26 0.82 -1.64 0.00 0.00 178.16 177.30 1jbv h ILE 10 N -0.48 0.70 0.00 1.81 2.04 -0.72 -1.20 117.51 119.65 1jbv h ILE 10 Ca -0.01 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1jbv h ILE 10 Cb 0.43 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1jbv h ILE 10 CO -0.02 0.08 0.00 1.41 0.00 0.00 0.00 178.15 179.62 1jbv n HIS 11 N -5.01 0.00 0.93 1.37 8.25 -0.70 -3.09 115.22 116.98 1jbv n HIS 11 Ca 0.12 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.70 1jbv n HIS 11 Cb 0.35 0.00 0.23 0.00 1.12 0.00 0.00 29.99 31.69 1jbv n HIS 11 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1jbv n SER 12 N -0.93 0.53 -4.75 0.41 3.41 -0.45 -4.92 113.62 106.92 1jbv n SER 12 Ca 0.19 -0.22 -0.33 0.00 -0.26 0.00 0.00 58.87 58.25 1jbv n SER 12 Cb 0.09 0.28 0.07 0.00 -0.26 0.00 0.00 64.21 64.38 1jbv n SER 12 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1jbv s PHE 13 N -3.03 2.36 0.00 7.33 0.40 -1.18 -5.06 117.98 118.80 1jbv s PHE 13 Ca 0.10 1.58 0.00 0.00 -0.60 0.00 0.00 56.93 58.01 1jbv s PHE 13 Cb 0.17 -3.30 0.00 0.00 0.51 0.00 0.00 43.02 40.40 1jbv s PHE 13 CO 0.71 -2.09 0.00 -0.35 0.70 0.00 0.00 175.22 174.19 1jbv n PRO 14 N -2.58 0.00 -0.01 0.24 -0.04 -1.26 -4.49 135.00 126.86 1jbv n PRO 14 Ca 0.12 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 1jbv n PRO 14 Cb 0.51 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.87 1jbv n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jbv n GLY 20 N 5.00 -0.62 0.00 0.55 0.00 -1.26 -1.98 105.19 106.89 1jbv n GLY 20 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1jbv n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jbv n ASP 21 N -1.98 -0.76 -1.53 1.61 5.68 -1.26 -4.95 116.55 113.36 1jbv n ASP 21 Ca -0.03 -0.37 0.09 0.00 -0.50 0.00 0.00 54.79 53.98 1jbv n ASP 21 Cb 0.36 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.68 1jbv n ASP 21 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1jbv n HIS 22 N -2.01 1.43 -0.35 2.11 8.25 -1.26 -4.63 115.22 118.77 1jbv n HIS 22 Ca 0.00 -0.57 0.01 0.00 -0.26 0.00 0.00 57.72 56.91 1jbv n HIS 22 Cb 0.00 -0.25 0.15 0.00 1.12 0.00 0.00 29.99 31.01 1jbv n HIS 22 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1jbv h ARG 23 N 3.84 1.11 0.50 -0.41 9.65 -1.98 -0.81 114.38 126.27 1jbv h ARG 23 Ca 0.00 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.79 1jbv h ARG 23 Cb 1.40 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 1jbv h ARG 23 CO 0.23 0.73 -0.24 0.00 2.80 0.00 0.00 179.97 183.50 1jbv h ARG 24 N 1.14 -0.64 -0.67 0.20 3.08 -1.91 -0.58 114.38 114.99 1jbv h ARG 24 Ca 0.40 0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.42 1jbv h ARG 24 Cb 0.11 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1jbv h ARG 24 CO -0.15 -0.39 0.13 0.97 -1.07 0.00 0.00 179.97 179.46 1jbv h ILE 25 N -0.74 1.26 -0.40 2.04 2.10 -1.87 -2.28 117.51 117.61 1jbv h ILE 25 Ca -0.07 -0.99 -0.00 0.00 1.08 0.00 0.00 64.86 64.88 1jbv h ILE 25 Cb 0.55 0.60 -0.02 0.00 -1.09 0.00 0.00 36.82 36.86 1jbv h ILE 25 CO 0.11 0.38 0.24 -0.07 -1.08 0.00 0.00 178.15 177.73 1jbv h LEU 26 N 1.02 0.47 -0.51 2.19 3.38 -1.08 0.27 115.31 121.04 1jbv h LEU 26 Ca 0.21 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 1jbv h LEU 26 Cb 0.40 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1jbv h LEU 26 CO 0.01 0.36 0.00 0.74 0.09 0.00 0.00 178.44 179.65 1jbv h THR 27 N 0.55 1.26 -0.36 0.22 2.02 -0.55 0.97 112.91 117.02 1jbv h THR 27 Ca 0.15 -1.08 -0.08 0.00 0.77 0.00 0.00 66.41 66.17 1jbv h THR 27 Cb -0.02 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1jbv h THR 27 CO -0.03 0.38 -0.07 0.25 0.37 0.00 0.00 175.52 176.42 1jbv h LEU 28 N 0.77 0.69 -1.03 2.58 6.46 -0.86 -2.56 115.31 121.36 1jbv h LEU 28 Ca 0.15 -0.36 -0.05 0.00 -0.12 0.00 0.00 57.88 57.50 1jbv h LEU 28 Cb 0.52 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 1jbv h LEU 28 CO 0.03 0.88 0.13 -0.07 -0.62 0.00 0.00 178.44 178.79 1jbv h LEU 29 N 0.48 0.77 -0.83 2.25 3.38 -0.32 -1.79 115.31 119.25 1jbv h LEU 29 Ca 0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1jbv h LEU 29 Cb 0.57 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1jbv h LEU 29 CO 0.03 0.75 0.45 -0.74 0.09 0.00 0.00 178.44 179.02 1jbv h HIS 30 N 0.80 1.15 0.00 1.13 2.76 -0.63 0.39 115.15 120.75 1jbv h HIS 30 Ca 0.18 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 1jbv h HIS 30 Cb 0.29 -0.37 -0.00 0.00 1.55 0.00 0.00 27.41 28.88 1jbv h HIS 30 CO 0.02 0.81 -0.10 0.00 -1.30 0.00 0.00 177.93 177.35 1jbv h ALA 31 N 1.24 1.08 -0.39 5.26 0.00 -1.00 -1.95 119.26 123.50 1jbv h ALA 31 Ca 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1jbv h ALA 31 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1jbv h ALA 31 CO -0.05 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.61 1jbv n LEU 32 N -3.32 2.31 0.00 0.00 4.77 -0.36 -4.91 117.00 115.49 1jbv n LEU 32 Ca -0.00 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 1jbv n LEU 32 Cb 0.31 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1jbv n LEU 32 CO 0.29 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1jbv n GLY 33 N 1.21 0.56 3.98 -0.72 0.00 -0.73 -4.30 105.19 105.19 1jbv n GLY 33 Ca 0.15 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 1jbv n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jbv n ASN 34 N 1.61 -2.83 0.29 1.61 3.02 0.12 -4.85 115.26 114.23 1jbv n ASN 34 Ca 0.00 -1.15 0.14 0.00 -0.03 0.00 0.00 54.58 53.53 1jbv n ASN 34 Cb 0.13 -2.45 0.85 0.00 -0.61 0.00 0.00 39.78 37.70 1jbv n ASN 34 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1jbv h PRO 35 N -2.12 0.00 0.00 3.52 0.13 -1.77 -1.98 132.00 129.78 1jbv h PRO 35 Ca -0.67 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1jbv h PRO 35 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1jbv h PRO 35 CO 0.56 0.02 0.00 -0.56 -0.23 0.00 0.00 178.00 177.79 1jbv h GLN 36 N 0.00 0.00 0.00 0.86 -0.00 -1.89 -2.12 115.11 111.96 1jbv h GLN 36 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1jbv h GLN 36 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.54 1jbv h GLN 36 CO 0.00 0.00 -0.38 1.04 -0.00 0.00 0.00 178.83 179.49 1jbv n GLN 37 N -2.87 0.21 -4.03 0.06 6.02 -0.74 -4.70 117.38 111.32 1jbv n GLN 37 Ca -0.01 0.10 -0.24 0.00 -0.01 0.00 0.00 57.00 56.83 1jbv n GLN 37 Cb 0.16 -1.67 -0.04 0.00 1.02 0.00 0.00 30.24 29.72 1jbv n GLN 37 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1jbv s GLN 38 N -3.11 3.16 1.81 -1.09 -0.21 -0.80 -5.03 119.66 114.41 1jbv s GLN 38 Ca 0.09 -0.81 0.00 0.00 0.02 0.00 0.00 55.36 54.66 1jbv s GLN 38 Cb 0.14 -2.77 0.00 0.00 1.00 0.00 0.00 33.01 31.39 1jbv s GLN 38 CO 0.67 0.47 0.00 0.41 -2.12 0.00 0.00 175.29 174.71 1jbv n GLY 39 N -0.78 -1.25 3.31 3.09 0.00 -1.26 -4.95 105.19 103.35 1jbv n GLY 39 Ca -0.08 -1.23 -0.21 0.00 0.00 0.00 0.00 46.02 44.49 1jbv n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jbv s ARG 40 N 0.00 1.22 0.07 1.61 0.52 -1.26 -5.07 118.95 116.03 1jbv s ARG 40 Ca 0.00 -1.35 -0.05 0.00 -0.52 0.00 0.00 55.73 53.81 1jbv s ARG 40 Cb 0.00 -1.27 -0.02 0.00 0.52 0.00 0.00 34.95 34.18 1jbv s ARG 40 CO 0.00 0.26 0.08 0.71 0.02 0.00 0.00 175.30 176.37 1jbv s TYR 41 N -1.95 0.33 -0.11 -0.53 1.51 -1.26 -1.45 117.35 113.90 1jbv s TYR 41 Ca 0.13 -0.82 0.00 0.00 -1.01 0.00 0.00 57.07 55.38 1jbv s TYR 41 Cb -0.06 -0.22 0.02 0.00 -0.11 0.00 0.00 41.96 41.59 1jbv s TYR 41 CO 0.06 -0.46 -0.10 0.42 -1.11 0.00 0.00 175.55 174.36 1jbv s ILE 42 N -3.88 1.16 -0.23 2.71 1.01 -0.67 -0.60 121.20 120.70 1jbv s ILE 42 Ca 0.06 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.23 1jbv s ILE 42 Cb 0.06 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 1jbv s ILE 42 CO -0.10 0.38 0.07 -2.28 0.00 0.00 0.00 174.94 173.01 1jbv s HIS 43 N 1.37 3.14 -0.11 3.97 2.46 -0.97 -0.28 115.29 124.87 1jbv s HIS 43 Ca -0.01 -0.23 0.03 0.00 0.47 0.00 0.00 55.06 55.33 1jbv s HIS 43 Cb -0.14 -2.19 0.01 0.00 -0.13 0.00 0.00 32.58 30.13 1jbv s HIS 43 CO -0.05 -0.18 -0.22 0.08 -2.47 0.00 0.00 174.74 171.90 1jbv s VAL 44 N 1.22 1.96 0.33 0.89 1.01 -0.38 -0.14 120.40 125.28 1jbv s VAL 44 Ca 0.05 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.13 1jbv s VAL 44 Cb -0.14 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1jbv s VAL 44 CO 0.04 0.53 0.21 0.28 0.00 0.00 0.00 175.10 176.16 1jbv s THR 45 N 0.58 0.19 0.00 3.92 -1.32 -0.05 -1.15 115.64 117.82 1jbv s THR 45 Ca -0.13 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.35 1jbv s THR 45 Cb -0.17 -2.47 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 1jbv s THR 45 CO 0.04 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.06 1jbv n GLY 46 N -0.63 4.36 0.26 6.08 0.00 -1.26 -1.68 105.19 112.32 1jbv n GLY 46 Ca 0.03 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 1jbv n GLY 46 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jbv h THR 47 N 4.93 1.24 -3.92 2.61 2.02 0.36 -3.42 112.91 116.73 1jbv h THR 47 Ca 0.00 -0.86 -0.27 0.00 0.77 0.00 0.00 66.41 66.05 1jbv h THR 47 Cb 0.00 0.77 -0.24 0.00 -1.74 0.00 0.00 68.15 66.94 1jbv h THR 47 CO 0.00 0.31 -0.73 0.20 0.37 0.00 0.00 175.52 175.67 1jbv s ASN 48 N -6.19 0.61 0.00 4.18 0.01 -1.26 -4.89 114.94 107.40 1jbv s ASN 48 Ca -0.13 -0.34 0.00 0.00 -0.71 0.00 0.00 52.86 51.68 1jbv s ASN 48 Cb 0.12 0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.79 1jbv s ASN 48 CO 0.80 -0.11 0.00 0.61 -1.51 0.00 0.00 177.10 176.89 1jbv n GLY 49 N 2.13 0.51 0.25 0.66 0.00 -1.26 -4.30 105.19 103.17 1jbv n GLY 49 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1jbv n GLY 49 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1jbv h LYS 50 N 4.27 0.84 -0.67 1.61 2.10 -1.85 -0.99 116.57 121.89 1jbv h LYS 50 Ca 0.00 -0.34 -0.05 0.00 -2.00 0.00 0.00 60.65 58.26 1jbv h LYS 50 Cb 0.00 -0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.26 1jbv h LYS 50 CO 0.00 0.97 0.23 0.78 -2.00 0.00 0.00 179.45 179.43 1jbv h GLY 51 N 0.67 1.11 0.89 0.07 0.00 -1.93 0.00 103.07 103.88 1jbv h GLY 51 Ca 0.10 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1jbv h GLY 51 CO 0.05 0.61 -0.09 1.76 0.00 0.00 0.00 176.54 178.86 1jbv h SER 52 N 0.98 -0.22 -0.11 0.19 0.02 -1.96 -0.40 113.55 112.04 1jbv h SER 52 Ca 0.22 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1jbv h SER 52 Cb 0.27 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1jbv h SER 52 CO -0.01 -0.05 0.06 0.00 -1.14 0.00 0.00 176.83 175.69 1jbv h ALA 53 N 0.41 0.15 -0.56 3.77 0.00 -1.05 -2.08 119.26 119.89 1jbv h ALA 53 Ca -0.03 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1jbv h ALA 53 Cb 0.29 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1jbv h ALA 53 CO 0.04 -0.32 0.27 0.00 0.00 0.00 0.00 179.25 179.24 1jbv h ALA 54 N 0.96 0.73 -0.55 0.00 0.00 -0.95 0.13 119.26 119.58 1jbv h ALA 54 Ca 0.04 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1jbv h ALA 54 Cb 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1jbv h ALA 54 CO -0.01 -0.09 0.35 -0.97 0.00 0.00 0.00 179.25 178.53 1jbv h ASN 55 N 0.51 0.60 -0.40 0.00 -1.24 -0.92 -1.36 115.58 112.76 1jbv h ASN 55 Ca 0.26 -0.01 -0.12 0.00 0.71 0.00 0.00 56.30 57.14 1jbv h ASN 55 Cb 0.21 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 1jbv h ASN 55 CO -0.20 0.43 -0.21 0.00 -1.29 0.00 0.00 177.43 176.16 1jbv h ALA 56 N 1.22 0.57 -0.51 1.57 0.00 -0.82 -1.88 119.26 119.41 1jbv h ALA 56 Ca 0.21 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1jbv h ALA 56 Cb -0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1jbv h ALA 56 CO -0.07 0.53 0.28 0.82 0.00 0.00 0.00 179.25 180.82 1jbv h ILE 57 N 0.66 1.01 -0.09 0.00 2.04 -0.76 -1.17 117.51 119.20 1jbv h ILE 57 Ca 0.09 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1jbv h ILE 57 Cb 0.77 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1jbv h ILE 57 CO 0.06 0.10 0.06 0.00 0.00 0.00 0.00 178.15 178.37 1jbv h ALA 58 N 1.25 0.11 -0.74 1.87 0.00 -1.08 -0.71 119.26 119.96 1jbv h ALA 58 Ca 0.21 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1jbv h ALA 58 Cb 0.07 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1jbv h ALA 58 CO -0.12 -0.40 0.45 0.45 0.00 0.00 0.00 179.25 179.63 1jbv h HIS 59 N 0.12 0.84 -0.03 0.00 3.86 -0.97 0.25 115.15 119.22 1jbv h HIS 59 Ca 0.03 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1jbv h HIS 59 Cb -0.01 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.19 1jbv h HIS 59 CO -0.08 0.46 0.01 0.28 0.86 0.00 0.00 177.93 179.46 1jbv h VAL 60 N 0.86 1.16 -0.23 2.45 2.07 -0.99 -0.85 116.25 120.72 1jbv h VAL 60 Ca 0.31 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 1jbv h VAL 60 Cb 0.08 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1jbv h VAL 60 CO -0.14 0.13 -0.24 -0.07 0.02 0.00 0.00 177.57 177.28 1jbv h LEU 61 N -0.15 0.42 -0.70 2.57 3.38 -0.85 -2.26 115.31 117.72 1jbv h LEU 61 Ca 0.01 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1jbv h LEU 61 Cb 0.20 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1jbv h LEU 61 CO -0.00 0.66 0.06 -0.33 0.09 0.00 0.00 178.44 178.93 1jbv h GLU 62 N 0.38 1.07 0.00 1.13 5.08 -0.34 -1.95 114.58 119.94 1jbv h GLU 62 Ca 0.06 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1jbv h GLU 62 Cb 0.63 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1jbv h GLU 62 CO 0.04 1.00 -0.17 0.00 -1.00 0.00 0.00 179.01 178.88 1jbv h ALA 63 N 1.07 1.24 0.00 3.43 0.00 -0.73 -1.79 119.26 122.48 1jbv h ALA 63 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jbv h ALA 63 Cb 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1jbv h ALA 63 CO 0.02 0.22 0.00 -1.13 0.00 0.00 0.00 179.25 178.35 1jbv n SER 64 N -3.65 0.00 0.00 0.00 3.41 -0.77 -4.88 113.62 107.73 1jbv n SER 64 Ca -0.01 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1jbv n SER 64 Cb 0.30 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1jbv n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jbv n GLY 65 N 1.13 1.16 3.91 5.00 0.00 -0.67 -4.98 105.19 110.74 1jbv n GLY 65 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1jbv n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jbv s LEU 66 N 0.00 4.24 -0.26 0.99 1.43 -1.02 -5.04 118.68 119.03 1jbv s LEU 66 Ca 0.00 0.49 -0.17 0.00 -1.03 0.00 0.00 54.13 53.43 1jbv s LEU 66 Cb 0.00 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 42.95 1jbv s LEU 66 CO 0.00 0.00 0.47 -0.89 0.23 0.00 0.00 176.35 176.16 1jbv s THR 67 N -1.76 5.10 -0.17 5.49 2.01 -1.26 -4.27 115.64 120.79 1jbv s THR 67 Ca 0.40 0.78 -0.00 0.00 0.31 0.00 0.00 61.69 63.18 1jbv s THR 67 Cb -0.12 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.61 1jbv s THR 67 CO 0.27 0.11 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.47 1jbv s VAL 68 N 2.21 2.62 0.20 3.82 1.01 -1.26 -0.80 120.40 128.20 1jbv s VAL 68 Ca 0.19 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 1jbv s VAL 68 Cb -0.16 -2.11 -0.08 0.00 0.00 0.00 0.00 36.38 34.03 1jbv s VAL 68 CO 0.09 0.51 0.69 -0.83 0.00 0.00 0.00 175.10 175.56 1jbv s GLY 69 N 0.98 2.61 -0.04 4.51 0.00 0.14 -0.47 107.32 115.05 1jbv s GLY 69 Ca -0.02 0.12 -0.01 0.00 0.00 0.00 0.00 44.72 44.81 1jbv s GLY 69 CO -0.03 0.48 0.04 -2.27 0.00 0.00 0.00 173.10 171.32 1jbv s LEU 70 N -1.89 0.47 -0.26 0.66 2.96 0.04 0.05 118.68 120.71 1jbv s LEU 70 Ca 0.41 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.36 1jbv s LEU 70 Cb -0.17 -0.20 0.05 0.00 0.50 0.00 0.00 46.19 46.37 1jbv s LEU 70 CO 0.21 -0.21 -0.08 -0.47 -1.32 0.00 0.00 176.35 174.48 1jbv s TYR 71 N 1.86 3.21 0.19 5.38 5.04 -0.58 -1.00 117.35 131.45 1jbv s TYR 71 Ca 0.01 -2.05 0.03 0.00 -2.44 0.00 0.00 57.07 52.62 1jbv s TYR 71 Cb -0.12 -2.00 -0.05 0.00 0.35 0.00 0.00 41.96 40.14 1jbv s TYR 71 CO -0.03 -0.83 -0.01 0.95 -1.34 0.00 0.00 175.55 174.28 1jbv s THR 72 N 1.19 0.85 -0.13 4.34 -4.23 -0.78 -1.56 115.64 115.32 1jbv s THR 72 Ca -0.06 -2.01 -0.13 0.00 -1.18 0.00 0.00 61.69 58.31 1jbv s THR 72 Cb -0.19 -2.17 0.04 0.00 1.34 0.00 0.00 72.50 71.52 1jbv s THR 72 CO -0.04 -0.45 0.37 -0.55 -0.54 0.00 0.00 174.62 173.41 1jbv s SER 73 N -3.22 -0.38 0.64 3.99 0.15 -1.26 -4.48 113.70 109.14 1jbv s SER 73 Ca 0.25 0.69 -0.01 0.00 0.70 0.00 0.00 55.95 57.58 1jbv s SER 73 Cb 0.06 0.72 0.08 0.00 -1.71 0.00 0.00 66.02 65.17 1jbv s SER 73 CO 0.05 -0.17 0.56 -0.81 1.20 0.00 0.00 173.24 174.08 1jbv n PRO 74 N 2.70 0.09 -2.64 5.44 -0.04 -1.26 -4.92 135.00 134.37 1jbv n PRO 74 Ca -0.14 -1.40 -0.27 0.00 -0.04 0.00 0.00 63.50 61.66 1jbv n PRO 74 Cb 0.57 -0.41 0.01 0.00 -0.04 0.00 0.00 33.50 33.63 1jbv n PRO 74 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1jbv s PHE 75 N -1.69 3.45 -0.09 0.54 -0.12 -1.26 -4.91 117.98 113.90 1jbv s PHE 75 Ca 0.36 0.69 -0.10 0.00 -0.05 0.00 0.00 56.93 57.84 1jbv s PHE 75 Cb -0.02 -2.39 -0.04 0.00 -0.63 0.00 0.00 43.02 39.93 1jbv s PHE 75 CO 0.24 -0.40 -0.20 -0.89 -0.05 0.00 0.00 175.22 173.91 1jbv n ILE 76 N -2.30 1.25 -0.10 -4.49 2.08 -1.26 -4.88 119.36 109.66 1jbv n ILE 76 Ca 0.01 0.12 -0.20 0.00 0.56 0.00 0.00 62.75 63.25 1jbv n ILE 76 Cb 0.56 -1.95 -0.11 0.00 -0.75 0.00 0.00 39.64 37.39 1jbv n ILE 76 CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 1jbv h MET 77 N -0.58 0.00 -3.07 0.38 2.86 -1.96 -3.44 114.93 109.11 1jbv h MET 77 Ca -0.11 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 1jbv h MET 77 Cb 0.79 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.29 1jbv h MET 77 CO -0.07 0.93 -0.09 -0.98 1.06 0.00 0.00 176.91 177.76 1jbv s ARG 78 N -2.33 0.95 0.29 1.72 1.70 -1.26 -4.96 118.95 115.06 1jbv s ARG 78 Ca -0.27 -0.41 -0.04 0.00 -0.47 0.00 0.00 55.73 54.55 1jbv s ARG 78 Cb 0.05 0.42 0.59 0.00 -0.57 0.00 0.00 34.95 35.44 1jbv s ARG 78 CO 0.58 -0.34 1.57 0.35 -1.08 0.00 0.00 175.30 176.38 1jbv h PHE 79 N 2.89 -0.26 -1.41 5.89 3.57 -1.95 -1.72 116.94 123.95 1jbv h PHE 79 Ca -0.32 0.08 0.41 0.00 3.53 0.00 0.00 57.97 61.67 1jbv h PHE 79 Cb 1.21 0.27 -0.06 0.00 2.79 0.00 0.00 35.95 40.16 1jbv h PHE 79 CO 0.39 -0.41 1.01 -0.91 -2.23 0.00 0.00 178.31 176.16 1jbv h ASN 80 N 0.01 0.03 -0.03 0.41 4.21 -1.94 -1.01 115.58 117.25 1jbv h ASN 80 Ca 0.53 0.01 0.01 0.00 1.21 0.00 0.00 56.30 58.05 1jbv h ASN 80 Cb 0.96 0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 38.16 1jbv h ASN 80 CO -0.94 -0.00 0.07 -0.33 -1.29 0.00 0.00 177.43 174.93 1jbv h GLU 81 N 0.02 0.00 0.00 0.81 5.08 -1.65 -2.23 114.58 116.61 1jbv h GLU 81 Ca 0.68 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 59.02 1jbv h GLU 81 Cb 2.68 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.92 1jbv h GLU 81 CO -0.04 0.00 -0.13 0.00 -1.00 0.00 0.00 179.01 177.85 1jbv h ARG 82 N 0.00 0.00 -4.43 2.33 3.08 -1.40 -3.38 114.38 110.58 1jbv h ARG 82 Ca 0.01 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.43 1jbv h ARG 82 Cb 0.15 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.81 1jbv h ARG 82 CO -0.00 0.13 -0.75 0.42 -1.07 0.00 0.00 179.97 178.70 1jbv s ILE 83 N -4.09 1.85 0.23 2.04 1.01 -0.84 -1.86 121.20 119.54 1jbv s ILE 83 Ca -0.02 -1.85 0.11 0.00 0.00 0.00 0.00 60.65 58.89 1jbv s ILE 83 Cb 0.13 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 1jbv s ILE 83 CO 0.58 -0.44 -0.20 -0.04 0.00 0.00 0.00 174.94 174.85 1jbv s MET 84 N 1.16 1.66 -0.12 2.79 -1.94 -0.17 -0.80 119.30 121.88 1jbv s MET 84 Ca 0.05 -1.59 -0.02 0.00 -1.71 0.00 0.00 55.69 52.41 1jbv s MET 84 Cb -0.19 -1.86 0.04 0.00 2.01 0.00 0.00 34.83 34.84 1jbv s MET 84 CO -0.10 0.37 0.01 0.42 -0.01 0.00 0.00 175.02 175.71 1jbv s ILE 85 N -2.03 0.48 -1.38 2.53 1.01 -0.78 -0.78 121.20 120.26 1jbv s ILE 85 Ca 0.25 -0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.66 1jbv s ILE 85 Cb -0.07 -0.77 0.03 0.00 0.01 0.00 0.00 42.46 41.66 1jbv s ILE 85 CO 0.13 0.08 0.89 0.47 0.00 0.00 0.00 174.94 176.50 1jbv n ASP 86 N 5.09 -3.10 -1.53 3.58 9.92 0.38 -1.60 116.55 129.30 1jbv n ASP 86 Ca -0.08 -0.75 -0.19 0.00 -0.53 0.00 0.00 54.79 53.24 1jbv n ASP 86 Cb 0.49 -4.25 -0.08 0.00 -0.64 0.00 0.00 41.12 36.64 1jbv n ASP 86 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1jbv n HIS 87 N -4.49 -0.08 -3.72 1.24 8.25 -1.26 -4.97 115.22 110.19 1jbv n HIS 87 Ca -0.15 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 56.94 1jbv n HIS 87 Cb 0.61 -3.27 -0.12 0.00 1.12 0.00 0.00 29.99 28.33 1jbv n HIS 87 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1jbv s GLU 88 N -3.60 3.67 0.63 -0.41 0.41 -0.63 -5.04 118.70 113.74 1jbv s GLU 88 Ca 0.00 -0.47 -0.18 0.00 -0.41 0.00 0.00 54.97 53.90 1jbv s GLU 88 Cb 0.00 -3.40 -0.02 0.00 -1.78 0.00 0.00 34.13 28.93 1jbv s GLU 88 CO 0.00 -0.21 1.27 -2.14 -0.49 0.00 0.00 175.26 173.69 1jbv s PRO 89 N 1.64 2.67 0.17 0.39 0.02 -1.26 -1.86 135.00 136.77 1jbv s PRO 89 Ca 0.06 2.00 -0.34 0.00 0.02 0.00 0.00 61.00 62.75 1jbv s PRO 89 Cb -0.15 -1.87 -0.14 0.00 0.02 0.00 0.00 34.50 32.36 1jbv s PRO 89 CO 0.05 -1.49 1.58 1.51 -0.33 0.00 0.00 177.00 178.32 1jbv n ILE 90 N -1.82 0.07 -1.82 2.83 3.06 0.02 -4.89 119.36 116.81 1jbv n ILE 90 Ca 0.15 -0.02 -0.36 0.00 -2.50 0.00 0.00 62.75 60.02 1jbv n ILE 90 Cb 0.48 -1.57 0.06 0.00 0.54 0.00 0.00 39.64 39.15 1jbv n ILE 90 CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 1jbv s PRO 91 N 0.83 2.68 0.19 9.51 0.02 -1.26 -4.77 135.00 142.19 1jbv s PRO 91 Ca 0.78 1.95 -0.14 0.00 0.02 0.00 0.00 61.00 63.60 1jbv s PRO 91 Cb -0.66 -1.88 0.18 0.00 0.02 0.00 0.00 34.50 32.17 1jbv s PRO 91 CO 0.38 -1.47 1.66 -0.44 -0.33 0.00 0.00 177.00 176.80 1jbv h ASP 92 N 0.60 -0.39 -0.02 2.53 5.19 -2.00 -0.03 116.42 122.30 1jbv h ASP 92 Ca -0.50 0.15 -0.07 0.00 -0.62 0.00 0.00 57.03 55.98 1jbv h ASP 92 Cb 1.32 0.29 -0.01 0.00 0.18 0.00 0.00 39.33 41.10 1jbv h ASP 92 CO 0.54 -0.14 -0.19 0.00 -3.12 0.00 0.00 179.24 176.33 1jbv h ALA 93 N 1.50 1.28 -0.39 3.45 0.00 -2.00 -2.01 119.26 121.09 1jbv h ALA 93 Ca 0.26 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1jbv h ALA 93 Cb 0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1jbv h ALA 93 CO -0.50 0.48 -0.25 0.00 0.00 0.00 0.00 179.25 178.98 1jbv h ALA 94 N 1.46 0.83 -0.34 0.00 0.00 -1.49 -2.35 119.26 117.37 1jbv h ALA 94 Ca 0.06 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1jbv h ALA 94 Cb 0.53 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1jbv h ALA 94 CO 0.03 0.64 0.11 1.25 0.00 0.00 0.00 179.25 181.28 1jbv h LEU 95 N 0.69 0.49 -0.23 0.00 5.85 -0.67 -0.76 115.31 120.68 1jbv h LEU 95 Ca 0.09 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.65 1jbv h LEU 95 Cb 0.77 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 1jbv h LEU 95 CO 0.06 0.57 -0.06 0.58 -0.34 0.00 0.00 178.44 179.25 1jbv h VAL 96 N 0.40 0.77 -0.63 1.05 2.07 -1.24 0.12 116.25 118.79 1jbv h VAL 96 Ca 0.11 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 1jbv h VAL 96 Cb 0.25 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1jbv h VAL 96 CO -0.00 0.00 0.29 0.78 0.02 0.00 0.00 177.57 178.65 1jbv h ASN 97 N 0.00 0.83 -0.30 0.57 4.21 -1.28 -0.59 115.58 119.02 1jbv h ASN 97 Ca 0.11 -0.14 -0.05 0.00 1.21 0.00 0.00 56.30 57.43 1jbv h ASN 97 Cb 0.17 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.14 1jbv h ASN 97 CO -0.24 0.74 -0.02 0.00 -1.29 0.00 0.00 177.43 176.63 1jbv h ALA 98 N 1.12 0.41 -0.80 -0.83 0.00 -0.80 -1.12 119.26 117.24 1jbv h ALA 98 Ca 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jbv h ALA 98 Cb 0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1jbv h ALA 98 CO -0.02 0.18 0.48 0.28 0.00 0.00 0.00 179.25 180.16 1jbv h VAL 99 N 0.33 1.23 -0.50 0.00 2.07 -0.62 0.01 116.25 118.76 1jbv h VAL 99 Ca 0.08 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1jbv h VAL 99 Cb 0.47 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1jbv h VAL 99 CO 0.02 0.24 0.31 0.00 0.02 0.00 0.00 177.57 178.16 1jbv h ALA 100 N 1.25 0.64 -0.28 1.67 0.00 -0.92 0.32 119.26 121.94 1jbv h ALA 100 Ca 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1jbv h ALA 100 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1jbv h ALA 100 CO -0.05 0.11 0.13 0.35 0.00 0.00 0.00 179.25 179.78 1jbv h PHE 101 N 0.67 0.41 -0.38 0.00 3.57 -0.53 -0.81 116.94 119.88 1jbv h PHE 101 Ca 0.18 -0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.53 1jbv h PHE 101 Cb -0.03 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1jbv h PHE 101 CO -0.03 0.39 -0.29 0.28 -2.23 0.00 0.00 178.31 176.43 1jbv h VAL 102 N 0.31 1.28 -0.54 1.41 2.07 -0.78 -2.56 116.25 117.44 1jbv h VAL 102 Ca 0.10 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 66.19 1jbv h VAL 102 Cb 0.14 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1jbv h VAL 102 CO -0.01 0.48 0.36 -0.09 0.02 0.00 0.00 177.57 178.33 1jbv h ARG 103 N 0.69 0.71 -0.83 1.57 2.43 -0.19 0.38 114.38 119.14 1jbv h ARG 103 Ca 0.08 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1jbv h ARG 103 Cb 0.83 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.17 1jbv h ARG 103 CO 0.07 0.47 0.54 0.00 -1.51 0.00 0.00 179.97 179.54 1jbv h ALA 104 N 1.20 1.08 -0.44 2.80 0.00 -1.02 0.16 119.26 123.04 1jbv h ALA 104 Ca 0.20 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1jbv h ALA 104 Cb -0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1jbv h ALA 104 CO -0.05 0.41 -0.09 0.00 0.00 0.00 0.00 179.25 179.52 1jbv h ALA 105 N 1.33 0.60 0.11 0.00 0.00 -1.02 -1.15 119.26 119.12 1jbv h ALA 105 Ca 0.32 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1jbv h ALA 105 Cb -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1jbv h ALA 105 CO -0.09 0.48 -0.14 1.25 0.00 0.00 0.00 179.25 180.74 1jbv h LEU 106 N 0.67 -0.39 -1.15 0.00 6.46 -0.28 -0.60 115.31 120.03 1jbv h LEU 106 Ca 0.11 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 1jbv h LEU 106 Cb 0.63 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.67 1jbv h LEU 106 CO 0.04 -0.22 0.39 -0.33 -0.62 0.00 0.00 178.44 177.70 1jbv h GLU 107 N -0.30 0.98 -0.50 1.25 5.08 -0.62 0.12 114.58 120.58 1jbv h GLU 107 Ca 0.02 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1jbv h GLU 107 Cb 0.30 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1jbv h GLU 107 CO -0.07 0.72 0.20 -0.09 -1.00 0.00 0.00 179.01 178.77 1jbv h ARG 108 N 0.99 0.76 -0.84 2.33 2.43 -0.95 -2.37 114.38 116.73 1jbv h ARG 108 Ca 0.25 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1jbv h ARG 108 Cb 0.02 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 1jbv h ARG 108 CO -0.04 0.67 0.46 -0.07 -1.51 0.00 0.00 179.97 179.48 1jbv h LEU 109 N 0.68 1.05 -0.02 3.80 3.38 -0.09 -1.60 115.31 122.51 1jbv h LEU 109 Ca 0.17 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jbv h LEU 109 Cb 0.20 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1jbv h LEU 109 CO -0.01 0.85 0.00 0.00 0.09 0.00 0.00 178.44 179.37 1jbv n GLN 110 N -4.38 0.00 0.07 1.13 6.02 0.30 -1.10 117.38 119.42 1jbv n GLN 110 Ca 0.08 0.31 -0.22 0.00 -0.01 0.00 0.00 57.00 57.16 1jbv n GLN 110 Cb 0.10 -1.51 -0.15 0.00 1.02 0.00 0.00 30.24 29.70 1jbv n GLN 110 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1jbv h GLN 111 N 0.00 0.35 -0.20 -1.09 4.20 -0.84 -3.25 115.11 114.28 1jbv h GLN 111 Ca 0.00 -0.61 -0.11 0.00 0.06 0.00 0.00 58.65 57.99 1jbv h GLN 111 Cb 0.20 0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1jbv h GLN 111 CO 0.00 1.29 -0.31 1.96 -0.67 0.00 0.00 178.83 181.10 1jbv h GLN 112 N -0.19 0.57 -3.46 1.46 4.20 -1.27 -3.39 115.11 113.03 1jbv h GLN 112 Ca -0.22 -0.34 -0.62 0.00 0.06 0.00 0.00 58.65 57.52 1jbv h GLN 112 Cb 1.84 0.03 -0.40 0.00 0.30 0.00 0.00 27.48 29.24 1jbv h GLN 112 CO 0.16 0.95 -0.71 -1.14 -0.67 0.00 0.00 178.83 177.42 1jbv s GLN 113 N -4.15 1.43 0.04 1.46 2.00 -0.26 -5.04 119.66 115.14 1jbv s GLN 113 Ca -0.13 -2.03 -0.08 0.00 -2.00 0.00 0.00 55.36 51.13 1jbv s GLN 113 Cb 0.07 -2.71 -0.02 0.00 0.80 0.00 0.00 33.01 31.15 1jbv s GLN 113 CO 0.81 -1.08 0.44 0.00 -0.50 0.00 0.00 175.29 174.95 1jbv n ALA 114 N 3.72 -0.16 -0.88 1.58 0.00 -1.23 -1.05 120.51 122.50 1jbv n ALA 114 Ca 0.05 0.21 -0.22 0.00 0.00 0.00 0.00 53.44 53.48 1jbv n ALA 114 Cb 0.36 -0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.92 1jbv n ALA 114 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jbv n ASP 115 N -3.96 4.80 -4.77 0.00 8.00 -1.26 -4.88 116.55 114.48 1jbv n ASP 115 Ca 0.00 -3.33 -0.39 0.00 0.71 0.00 0.00 54.79 51.78 1jbv n ASP 115 Cb 0.06 -0.85 -0.03 0.00 -0.02 0.00 0.00 41.12 40.29 1jbv n ASP 115 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1jbv s PHE 116 N -2.71 3.25 0.16 1.24 5.36 -0.22 -5.03 117.98 120.02 1jbv s PHE 116 Ca 0.47 1.59 -0.20 0.00 -0.96 0.00 0.00 56.93 57.82 1jbv s PHE 116 Cb 0.38 -3.37 0.05 0.00 -0.34 0.00 0.00 43.02 39.75 1jbv s PHE 116 CO 0.05 -1.07 0.53 -0.80 -1.46 0.00 0.00 175.22 172.48 1jbv s ASN 117 N -1.01 -0.43 0.09 6.13 0.01 -1.26 -4.87 114.94 113.61 1jbv s ASN 117 Ca 0.52 -0.16 0.01 0.00 -0.71 0.00 0.00 52.86 52.52 1jbv s ASN 117 Cb -0.31 0.56 -0.04 0.00 0.41 0.00 0.00 41.25 41.87 1jbv s ASN 117 CO 0.40 -0.95 -0.05 0.68 -1.51 0.00 0.00 177.10 175.67 1jbv s VAL 118 N -3.78 0.55 0.83 1.60 -7.23 -1.26 -4.92 120.40 106.19 1jbv s VAL 118 Ca 0.03 -1.91 -0.12 0.00 -1.81 0.00 0.00 61.98 58.17 1jbv s VAL 118 Cb -0.00 -1.70 0.12 0.00 0.56 0.00 0.00 36.38 35.35 1jbv s VAL 118 CO -0.11 -0.85 1.19 0.42 -0.31 0.00 0.00 175.10 175.43 1jbv s THR 119 N -3.72 2.05 0.07 5.32 -4.23 -1.26 -4.31 115.64 109.56 1jbv s THR 119 Ca 0.12 -0.08 -0.24 0.00 -1.18 0.00 0.00 61.69 60.32 1jbv s THR 119 Cb 0.06 -2.98 -0.16 0.00 1.34 0.00 0.00 72.50 70.76 1jbv s THR 119 CO -0.05 0.00 1.63 -0.08 -0.54 0.00 0.00 174.62 175.58 1jbv h GLU 120 N -1.13 -0.03 -0.14 3.99 4.81 -1.62 -0.88 114.58 119.57 1jbv h GLU 120 Ca -0.45 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.75 1jbv h GLU 120 Cb 1.29 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 1jbv h GLU 120 CO 0.55 0.08 -0.07 0.35 -0.73 0.00 0.00 179.01 179.20 1jbv h PHE 121 N -0.13 0.21 -0.38 0.92 3.57 -1.93 -1.74 116.94 117.46 1jbv h PHE 121 Ca -0.00 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 1jbv h PHE 121 Cb 0.12 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1jbv h PHE 121 CO -0.04 0.29 -0.15 0.93 -2.23 0.00 0.00 178.31 177.11 1jbv h GLU 122 N 0.20 0.77 -0.01 1.11 5.08 -1.82 -0.80 114.58 119.12 1jbv h GLU 122 Ca 0.05 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1jbv h GLU 122 Cb 0.26 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1jbv h GLU 122 CO 0.01 0.93 0.00 0.35 -1.00 0.00 0.00 179.01 179.31 1jbv h PHE 123 N 0.57 0.01 -0.75 4.33 3.57 -0.70 -1.30 116.94 122.67 1jbv h PHE 123 Ca 0.09 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1jbv h PHE 123 Cb 0.68 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 1jbv h PHE 123 CO 0.05 0.14 0.37 0.82 -2.23 0.00 0.00 178.31 177.46 1jbv h ILE 124 N -0.13 1.24 -0.44 1.41 2.04 -1.33 -0.59 117.51 119.71 1jbv h ILE 124 Ca 0.00 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 1jbv h ILE 124 Cb 0.13 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1jbv h ILE 124 CO -0.00 0.28 0.09 0.74 0.00 0.00 0.00 178.15 179.26 1jbv h THR 125 N 1.05 1.24 -0.64 -0.27 2.02 -1.06 0.17 112.91 115.43 1jbv h THR 125 Ca 0.26 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.56 1jbv h THR 125 Cb 0.10 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1jbv h THR 125 CO -0.03 0.30 0.30 0.00 0.37 0.00 0.00 175.52 176.46 1jbv h ALA 126 N 0.95 0.83 -0.66 6.16 0.00 -1.05 -1.30 119.26 124.19 1jbv h ALA 126 Ca 0.14 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1jbv h ALA 126 Cb 0.36 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1jbv h ALA 126 CO 0.01 0.39 0.17 1.25 0.00 0.00 0.00 179.25 181.07 1jbv h LEU 127 N 0.88 0.99 -0.40 0.00 6.46 -0.71 -1.39 115.31 121.15 1jbv h LEU 127 Ca 0.22 -0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1jbv h LEU 127 Cb 0.13 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.78 1jbv h LEU 127 CO -0.03 0.96 0.11 0.00 -0.62 0.00 0.00 178.44 178.86 1jbv h ALA 128 N 1.07 0.52 -0.65 1.25 0.00 -0.35 0.14 119.26 121.23 1jbv h ALA 128 Ca 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1jbv h ALA 128 Cb 0.35 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1jbv h ALA 128 CO -0.00 0.18 0.32 1.88 0.00 0.00 0.00 179.25 181.63 1jbv h TYR 129 N 0.49 0.93 -0.27 0.00 0.99 -1.08 -0.03 116.97 118.00 1jbv h TYR 129 Ca 0.13 -0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.79 1jbv h TYR 129 Cb 0.28 -0.29 -0.01 0.00 1.00 0.00 0.00 36.73 37.71 1jbv h TYR 129 CO 0.01 0.69 0.09 2.35 -0.00 0.00 0.00 178.16 181.30 1jbv h TRP 130 N 0.90 0.44 -0.36 4.88 7.01 -0.94 -2.32 115.95 125.55 1jbv h TRP 130 Ca 0.22 -0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.18 1jbv h TRP 130 Cb 0.11 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.02 1jbv h TRP 130 CO 0.00 0.47 0.22 -0.92 -2.79 0.00 0.00 178.44 175.42 1jbv h TYR 131 N 0.28 0.48 -0.63 2.65 3.20 -0.45 0.21 116.97 122.71 1jbv h TYR 131 Ca 0.09 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1jbv h TYR 131 Cb 0.24 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 1jbv h TYR 131 CO 0.00 0.35 0.42 0.74 -1.64 0.00 0.00 178.16 178.02 1jbv h PHE 132 N 0.47 0.76 0.05 -3.82 0.05 -0.93 -0.66 116.94 112.85 1jbv h PHE 132 Ca 0.13 0.02 -0.25 0.00 3.82 0.00 0.00 57.97 61.69 1jbv h PHE 132 Cb 0.01 -0.26 0.01 0.00 2.00 0.00 0.00 35.95 37.71 1jbv h PHE 132 CO -0.04 0.47 -1.06 0.00 -0.18 0.00 0.00 178.31 177.50 1jbv h ARG 133 N 0.81 0.45 -0.85 1.51 2.47 -0.92 -2.12 114.38 115.72 1jbv h ARG 133 Ca 0.24 -0.54 0.02 0.00 -1.26 0.00 0.00 59.98 58.43 1jbv h ARG 133 Cb -0.03 0.17 -0.04 0.00 -1.65 0.00 0.00 29.97 28.41 1jbv h ARG 133 CO -0.06 1.19 0.56 0.37 0.56 0.00 0.00 179.97 182.59 1jbv h GLN 134 N 0.22 1.09 -0.01 0.04 4.15 0.31 -1.12 115.11 119.80 1jbv h GLN 134 Ca -0.11 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.24 1jbv h GLN 134 Cb 1.72 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 29.16 1jbv h GLN 134 CO 0.19 0.72 0.00 0.54 -1.93 0.00 0.00 178.83 178.35 1jbv n ARG 135 N -4.51 1.28 -4.00 1.69 5.12 -0.34 -4.95 116.66 110.95 1jbv n ARG 135 Ca 0.09 -0.41 -0.29 0.00 -1.93 0.00 0.00 57.85 55.31 1jbv n ARG 135 Cb 0.03 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 29.82 1jbv n ARG 135 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1jbv n GLN 136 N -0.50 -2.25 -1.69 5.56 6.02 -0.43 -4.94 117.38 119.16 1jbv n GLN 136 Ca 0.22 0.32 -0.35 0.00 -0.01 0.00 0.00 57.00 57.17 1jbv n GLN 136 Cb 0.21 -4.09 0.07 0.00 1.02 0.00 0.00 30.24 27.45 1jbv n GLN 136 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1jbv s VAL 137 N -3.94 2.34 0.17 5.09 -7.23 -0.92 -4.92 120.40 110.99 1jbv s VAL 137 Ca 0.11 0.19 -0.10 0.00 -1.81 0.00 0.00 61.98 60.37 1jbv s VAL 137 Cb -0.05 -2.93 0.05 0.00 0.56 0.00 0.00 36.38 34.01 1jbv s VAL 137 CO 0.92 -0.07 1.63 0.44 -0.31 0.00 0.00 175.10 177.71 1jbv h ASP 138 N 0.27 0.98 -4.92 4.85 3.32 -1.33 -3.45 116.42 116.14 1jbv h ASP 138 Ca -0.49 -0.30 -0.09 0.00 0.02 0.00 0.00 57.03 56.17 1jbv h ASP 138 Cb 1.31 -0.26 -0.20 0.00 0.22 0.00 0.00 39.33 40.40 1jbv h ASP 138 CO 0.52 1.04 -0.04 0.54 -1.72 0.00 0.00 179.24 179.58 1jbv s VAL 139 N -5.04 0.03 -0.13 -1.35 0.11 -1.17 -3.98 120.40 108.86 1jbv s VAL 139 Ca -0.12 -0.22 0.02 0.00 -2.93 0.00 0.00 61.98 58.73 1jbv s VAL 139 Cb 0.13 -0.80 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 1jbv s VAL 139 CO 0.84 -0.12 -0.20 0.00 -3.33 0.00 0.00 175.10 172.29 1jbv s ALA 140 N -1.16 2.31 -0.31 1.54 0.00 -0.53 -0.68 121.76 122.93 1jbv s ALA 140 Ca -0.11 -1.02 -0.18 0.00 0.00 0.00 0.00 51.96 50.64 1jbv s ALA 140 Cb -0.03 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.08 1jbv s ALA 140 CO 0.07 0.10 0.50 0.08 0.00 0.00 0.00 175.76 176.51 1jbv s VAL 141 N 0.61 5.05 -0.29 0.00 1.01 0.11 -1.66 120.40 125.22 1jbv s VAL 141 Ca -0.11 0.57 -0.05 0.00 0.00 0.00 0.00 61.98 62.38 1jbv s VAL 141 Cb -0.16 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.34 1jbv s VAL 141 CO 0.03 -0.07 0.05 -0.63 0.00 0.00 0.00 175.10 174.47 1jbv s ILE 142 N 2.34 3.66 -0.15 2.22 -1.09 0.61 -1.52 121.20 127.27 1jbv s ILE 142 Ca 0.19 -0.84 -0.24 0.00 -2.23 0.00 0.00 60.65 57.53 1jbv s ILE 142 Cb -0.15 -2.91 -0.02 0.00 -1.58 0.00 0.00 42.46 37.80 1jbv s ILE 142 CO 0.12 0.07 0.76 -0.70 -1.23 0.00 0.00 174.94 173.96 1jbv s GLU 143 N 1.44 4.31 0.44 2.79 2.12 -0.60 -1.25 118.70 127.95 1jbv s GLU 143 Ca 0.01 0.90 -0.25 0.00 0.36 0.00 0.00 54.97 55.99 1jbv s GLU 143 Cb -0.17 -3.55 -0.08 0.00 0.26 0.00 0.00 34.13 30.59 1jbv s GLU 143 CO 0.01 -0.23 1.37 0.08 -0.54 0.00 0.00 175.26 175.95 1jbv s VAL 144 N 1.81 2.29 -0.02 3.70 1.01 -0.30 -4.85 120.40 124.05 1jbv s VAL 144 Ca 0.36 0.25 -0.18 0.00 0.00 0.00 0.00 61.98 62.42 1jbv s VAL 144 Cb -0.17 -3.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.97 1jbv s VAL 144 CO 0.13 0.03 0.77 1.23 0.00 0.00 0.00 175.10 177.26 1jbv h GLY 145 N 2.38 -0.67 -5.78 4.51 0.00 -1.95 -3.47 103.07 98.09 1jbv h GLY 145 Ca -0.50 0.25 -0.19 0.00 0.00 0.00 0.00 47.33 46.89 1jbv h GLY 145 CO 0.61 -0.24 -0.48 -0.42 0.00 0.00 0.00 176.54 176.01 1jbv s ILE 146 N -3.65 -0.03 0.00 2.60 1.01 -1.26 -5.09 121.20 114.79 1jbv s ILE 146 Ca -0.09 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1jbv s ILE 146 Cb 0.01 -0.35 0.00 0.00 0.01 0.00 0.00 42.46 42.13 1jbv s ILE 146 CO 0.28 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.87 1jbv n GLY 147 N 3.74 1.66 0.00 6.18 0.00 -1.26 -4.32 105.19 111.19 1jbv n GLY 147 Ca -0.20 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1jbv n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jbv n GLY 148 N 0.00 -2.21 0.38 -0.02 0.00 -1.20 -4.62 105.19 97.52 1jbv n GLY 148 Ca 0.00 0.72 -0.05 0.00 0.00 0.00 0.00 46.02 46.69 1jbv n GLY 148 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1jbv h ASP 149 N 0.00 -1.41 -0.51 1.61 3.58 -0.87 -1.43 116.42 117.39 1jbv h ASP 149 Ca 0.00 0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.72 1jbv h ASP 149 Cb 0.00 0.69 0.00 0.00 1.72 0.00 0.00 39.33 41.74 1jbv h ASP 149 CO 0.00 -0.30 0.00 0.35 -2.88 0.00 0.00 179.24 176.41 1jbv n THR 150 N -5.43 2.54 -2.47 2.25 -2.24 -1.26 -4.85 114.28 102.82 1jbv n THR 150 Ca 0.05 -1.48 -0.37 0.00 -2.27 0.00 0.00 64.05 59.98 1jbv n THR 150 Cb 0.36 -0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 1jbv n THR 150 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jbv s ASP 151 N -1.06 6.60 0.59 3.42 -1.08 -0.54 -4.91 116.67 119.70 1jbv s ASP 151 Ca 0.51 2.10 0.29 0.00 -0.52 0.00 0.00 52.55 54.93 1jbv s ASP 151 Cb 0.39 -2.59 1.61 0.00 -1.46 0.00 0.00 42.92 40.87 1jbv s ASP 151 CO 0.15 -0.60 2.04 0.28 0.52 0.00 0.00 175.17 177.56 1jbv h SER 152 N 2.36 0.00 1.16 -0.34 0.02 -1.90 -0.82 113.55 114.03 1jbv h SER 152 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1jbv h SER 152 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1jbv h SER 152 CO 0.62 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.66 1jbv n THR 153 N -3.74 0.42 -1.47 -2.27 -2.24 -1.26 -4.48 114.28 99.23 1jbv n THR 153 Ca 0.03 -0.09 -0.40 0.00 -2.27 0.00 0.00 64.05 61.32 1jbv n THR 153 Cb 0.42 -0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 68.00 1jbv n THR 153 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jbv n ASN 154 N -1.91 7.31 -0.67 3.42 5.15 -0.32 -3.95 115.26 124.29 1jbv n ASN 154 Ca 0.06 -2.68 0.04 0.00 -0.60 0.00 0.00 54.58 51.39 1jbv n ASN 154 Cb 0.36 -1.58 0.05 0.00 -0.53 0.00 0.00 39.78 38.08 1jbv n ASN 154 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1jbv n VAL 155 N 3.93 0.60 -4.39 3.44 0.24 -1.26 -4.95 118.33 115.93 1jbv n VAL 155 Ca 0.70 -1.02 -0.20 0.00 -2.04 0.00 0.00 64.34 61.78 1jbv n VAL 155 Cb 0.28 0.40 -0.10 0.00 -1.47 0.00 0.00 33.84 32.94 1jbv n VAL 155 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1jbv s ILE 156 N -0.90 1.67 -0.29 1.34 -4.36 -1.25 -4.78 121.20 112.64 1jbv s ILE 156 Ca 0.18 -2.16 0.01 0.00 -0.26 0.00 0.00 60.65 58.42 1jbv s ILE 156 Cb 0.19 -2.27 0.06 0.00 1.25 0.00 0.00 42.46 41.69 1jbv s ILE 156 CO -0.04 -0.43 -0.05 -0.89 0.24 0.00 0.00 174.94 173.77 1jbv s THR 157 N -3.00 2.51 0.82 8.37 2.01 -1.26 -5.09 115.64 120.00 1jbv s THR 157 Ca 0.26 -1.62 -0.09 0.00 0.31 0.00 0.00 61.69 60.55 1jbv s THR 157 Cb 0.02 -2.51 0.14 0.00 0.01 0.00 0.00 72.50 70.16 1jbv s THR 157 CO 0.10 -0.13 1.14 -2.16 -0.69 0.00 0.00 174.62 172.88 1jbv s PRO 158 N 1.14 1.37 0.06 4.92 0.04 -1.26 -4.63 135.00 136.64 1jbv s PRO 158 Ca -0.05 -0.59 0.04 0.00 0.04 0.00 0.00 61.00 60.43 1jbv s PRO 158 Cb -0.20 -2.08 -0.24 0.00 0.04 0.00 0.00 34.50 32.02 1jbv s PRO 158 CO -0.04 -1.81 1.06 0.28 0.04 0.00 0.00 177.00 176.53 1jbv h VAL 159 N -1.02 1.41 -2.43 -0.36 2.07 -1.25 -3.47 116.25 111.19 1jbv h VAL 159 Ca -0.42 -3.10 -0.08 0.00 0.82 0.00 0.00 66.70 63.92 1jbv h VAL 159 Cb 1.27 2.77 -0.20 0.00 -1.52 0.00 0.00 31.29 33.61 1jbv h VAL 159 CO 0.45 0.85 -0.01 0.54 0.02 0.00 0.00 177.57 179.41 1jbv s VAL 160 N -2.66 0.02 0.19 2.57 0.11 -1.25 -4.24 120.40 115.14 1jbv s VAL 160 Ca -0.03 -0.19 0.09 0.00 -2.93 0.00 0.00 61.98 58.92 1jbv s VAL 160 Cb 0.08 -0.83 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 1jbv s VAL 160 CO 0.84 -0.11 -0.08 -0.44 -3.33 0.00 0.00 175.10 171.99 1jbv s SER 161 N -1.18 4.33 -0.03 3.54 0.01 -0.31 -2.30 113.70 117.76 1jbv s SER 161 Ca -0.12 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.59 1jbv s SER 161 Cb -0.02 -0.76 0.01 0.00 0.21 0.00 0.00 66.02 65.46 1jbv s SER 161 CO 0.07 0.09 -0.07 -0.69 0.41 0.00 0.00 173.24 173.05 1jbv s VAL 162 N -1.80 0.66 -0.36 3.43 1.01 0.80 -0.98 120.40 123.16 1jbv s VAL 162 Ca 0.26 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1jbv s VAL 162 Cb -0.08 -0.61 0.11 0.00 0.00 0.00 0.00 36.38 35.80 1jbv s VAL 162 CO 0.16 0.22 0.15 -0.22 0.00 0.00 0.00 175.10 175.41 1jbv s LEU 163 N 0.40 2.42 0.04 3.92 0.20 -0.39 -0.87 118.68 124.41 1jbv s LEU 163 Ca -0.06 -2.01 -0.24 0.00 0.69 0.00 0.00 54.13 52.51 1jbv s LEU 163 Cb -0.10 -0.93 -0.17 0.00 -0.43 0.00 0.00 46.19 44.56 1jbv s LEU 163 CO 0.00 -0.36 1.54 0.71 -0.29 0.00 0.00 176.35 177.95 1jbv h THR 164 N 6.02 1.16 -1.75 3.68 1.35 -1.58 -2.49 112.91 119.29 1jbv h THR 164 Ca -0.08 -0.49 0.17 0.00 -0.55 0.00 0.00 66.41 65.46 1jbv h THR 164 Cb 0.98 1.49 -0.19 0.00 -1.73 0.00 0.00 68.15 68.70 1jbv h THR 164 CO 0.47 0.13 0.66 -0.70 -0.25 0.00 0.00 175.52 175.82 1jbv s GLU 165 N -5.36 0.52 -0.14 4.72 2.12 -1.26 -2.96 118.70 116.34 1jbv s GLU 165 Ca -0.14 -0.13 0.02 0.00 0.36 0.00 0.00 54.97 55.08 1jbv s GLU 165 Cb 0.04 0.24 0.01 0.00 0.26 0.00 0.00 34.13 34.68 1jbv s GLU 165 CO 0.66 -0.22 -0.21 0.08 -0.54 0.00 0.00 175.26 175.04 1jbv s VAL 166 N -2.34 2.02 0.25 3.70 1.01 -1.26 0.10 120.40 123.88 1jbv s VAL 166 Ca 0.06 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 1jbv s VAL 166 Cb -0.01 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1jbv s VAL 166 CO -0.05 0.54 0.23 0.00 0.00 0.00 0.00 175.10 175.82 1jbv s ALA 167 N 0.89 1.18 -2.00 5.51 0.00 -1.26 -4.85 121.76 121.22 1jbv s ALA 167 Ca -0.06 -1.70 0.23 0.00 0.00 0.00 0.00 51.96 50.43 1jbv s ALA 167 Cb -0.15 1.36 1.39 0.00 0.00 0.00 0.00 23.12 25.72 1jbv s ALA 167 CO -0.03 -0.65 1.82 1.28 0.00 0.00 0.00 175.76 178.18 1jbv n LEU 168 N -0.40 0.00 -0.41 0.00 4.77 -1.26 -4.51 117.00 115.20 1jbv n LEU 168 Ca 0.03 0.00 0.34 0.00 -0.03 0.00 0.00 56.01 56.35 1jbv n LEU 168 Cb 0.64 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.35 1jbv n LEU 168 CO 0.31 0.00 1.19 0.44 -1.33 0.00 0.00 177.39 178.00 1jbv h ASP 169 N 0.00 0.29 -0.45 -1.43 3.32 -1.97 -2.09 116.42 114.09 1jbv h ASP 169 Ca 0.00 0.17 -0.27 0.00 0.02 0.00 0.00 57.03 56.95 1jbv h ASP 169 Cb 0.00 0.15 -0.16 0.00 0.22 0.00 0.00 39.33 39.54 1jbv h ASP 169 CO 0.00 -0.22 -0.13 1.41 -1.72 0.00 0.00 179.24 178.58 1jbv n HIS 170 N -4.84 1.45 -0.34 4.55 8.25 -1.26 -4.84 115.22 118.19 1jbv n HIS 170 Ca 0.37 -1.80 0.13 0.00 -0.26 0.00 0.00 57.72 56.15 1jbv n HIS 170 Cb 1.36 -0.54 0.27 0.00 1.12 0.00 0.00 29.99 32.19 1jbv n HIS 170 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1jbv h GLN 171 N 1.23 0.02 0.00 -0.41 4.20 -1.55 -0.13 115.11 118.46 1jbv h GLN 171 Ca 0.27 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1jbv h GLN 171 Cb 1.57 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.35 1jbv h GLN 171 CO 0.52 0.01 0.08 0.87 -0.67 0.00 0.00 178.83 179.65 1jbv h LYS 172 N 0.02 0.00 0.00 1.46 1.57 -1.88 -1.65 116.57 116.09 1jbv h LYS 172 Ca 0.57 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.33 1jbv h LYS 172 Cb 1.15 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 1jbv h LYS 172 CO -0.91 0.00 -1.08 1.28 -0.57 0.00 0.00 179.45 178.17 1jbv n LEU 173 N -2.73 1.28 0.04 2.94 4.32 -0.16 -4.81 117.00 117.89 1jbv n LEU 173 Ca -0.02 -0.00 0.09 0.00 -0.02 0.00 0.00 56.01 56.05 1jbv n LEU 173 Cb 0.14 -0.01 -0.08 0.00 -1.62 0.00 0.00 43.42 41.85 1jbv n LEU 173 CO 0.15 0.24 -0.36 0.18 -1.22 0.00 0.00 177.39 176.38 1jbv n LEU 174 N -2.26 0.51 0.00 2.23 4.77 -0.65 -5.08 117.00 116.52 1jbv n LEU 174 Ca -0.02 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1jbv n LEU 174 Cb 0.53 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1jbv n LEU 174 CO 0.02 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 1jbv n GLY 175 N 1.27 3.38 0.13 -0.72 0.00 -0.63 -4.15 105.19 104.47 1jbv n GLY 175 Ca -0.04 -1.75 0.12 0.00 0.00 0.00 0.00 46.02 44.35 1jbv n GLY 175 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1jbv h HIS 176 N 0.00 0.00 -1.99 1.61 3.86 -1.96 -3.38 115.15 113.29 1jbv h HIS 176 Ca 0.00 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.59 1jbv h HIS 176 Cb 0.00 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.34 1jbv h HIS 176 CO 0.00 0.00 -0.69 0.95 0.86 0.00 0.00 177.93 179.05 1jbv s THR 177 N -3.27 2.30 0.24 2.45 -4.23 -1.26 -5.02 115.64 106.85 1jbv s THR 177 Ca 0.03 -2.23 -0.07 0.00 -1.18 0.00 0.00 61.69 58.24 1jbv s THR 177 Cb 0.09 -2.59 0.22 0.00 1.34 0.00 0.00 72.50 71.57 1jbv s THR 177 CO 0.73 -0.24 1.87 0.40 -0.54 0.00 0.00 174.62 176.85 1jbv h ILE 178 N 2.06 1.26 -0.13 2.99 1.08 -1.95 -1.93 117.51 120.90 1jbv h ILE 178 Ca -0.42 -0.60 0.03 0.00 -0.39 0.00 0.00 64.86 63.48 1jbv h ILE 178 Cb 1.25 -0.03 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 1jbv h ILE 178 CO 0.68 0.28 -0.07 0.74 -0.69 0.00 0.00 178.15 179.10 1jbv h THR 179 N 1.29 0.79 -0.44 -0.27 2.02 -1.96 0.40 112.91 114.75 1jbv h THR 179 Ca 0.33 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.56 1jbv h THR 179 Cb -0.02 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1jbv h THR 179 CO -0.06 0.00 0.18 0.00 0.37 0.00 0.00 175.52 176.01 1jbv h ALA 180 N 1.06 0.54 -0.61 6.16 0.00 -1.80 -1.11 119.26 123.50 1jbv h ALA 180 Ca 0.07 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1jbv h ALA 180 Cb 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1jbv h ALA 180 CO -0.16 -0.19 -0.01 0.82 0.00 0.00 0.00 179.25 179.70 1jbv h ILE 181 N 0.37 1.27 -0.92 0.00 2.04 -0.96 -2.89 117.51 116.41 1jbv h ILE 181 Ca 0.20 -1.17 0.01 0.00 1.00 0.00 0.00 64.86 64.90 1jbv h ILE 181 Cb 0.16 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 1jbv h ILE 181 CO -0.18 0.43 0.61 0.00 0.00 0.00 0.00 178.15 179.01 1jbv h ALA 182 N 0.99 1.35 -0.58 1.87 0.00 0.28 -1.52 119.26 121.65 1jbv h ALA 182 Ca 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1jbv h ALA 182 Cb 0.58 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1jbv h ALA 182 CO 0.03 0.60 0.27 0.87 0.00 0.00 0.00 179.25 181.03 1jbv h LYS 183 N 1.24 0.82 -0.38 0.00 1.57 -1.01 0.14 116.57 118.96 1jbv h LYS 183 Ca 0.34 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1jbv h LYS 183 Cb -0.13 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.02 1jbv h LYS 183 CO -0.08 0.65 0.00 0.72 -0.57 0.00 0.00 179.45 180.17 1jbv n HIS 184 N -4.35 0.00 0.00 -1.35 8.25 -0.57 -2.71 115.22 114.49 1jbv n HIS 184 Ca 0.05 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1jbv n HIS 184 Cb 0.13 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1jbv n HIS 184 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jbv n ALA 186 N 0.44 0.00 0.28 -1.41 0.00 0.48 -0.26 120.51 120.04 1jbv n ALA 186 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1jbv n ALA 186 Cb 0.06 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.13 1jbv n ALA 186 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jbv h GLY 187 N 0.00 0.00 -0.89 0.00 0.00 -1.77 -1.31 103.07 99.11 1jbv h GLY 187 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jbv h GLY 187 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.83 1jbv n ILE 188 N -2.40 0.17 -2.90 2.60 -5.35 -1.26 -4.54 119.36 105.68 1jbv n ILE 188 Ca -0.00 -0.36 -0.41 0.00 -0.27 0.00 0.00 62.75 61.71 1jbv n ILE 188 Cb 0.13 0.50 -0.04 0.00 -1.74 0.00 0.00 39.64 38.49 1jbv n ILE 188 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1jbv s ILE 189 N -1.83 4.97 0.23 7.28 1.01 -0.49 -4.82 121.20 127.54 1jbv s ILE 189 Ca 0.34 1.71 0.11 0.00 0.00 0.00 0.00 60.65 62.81 1jbv s ILE 189 Cb 0.19 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 1jbv s ILE 189 CO 0.29 0.21 -0.19 -0.54 0.00 0.00 0.00 174.94 174.70 1jbv s LYS 190 N 0.92 1.53 -0.26 2.79 -0.14 -1.26 -5.06 119.74 118.26 1jbv s LYS 190 Ca 0.44 -1.64 -0.40 0.00 -1.36 0.00 0.00 55.97 53.00 1jbv s LYS 190 Cb -0.19 -1.59 -0.16 0.00 -1.68 0.00 0.00 37.83 34.21 1jbv s LYS 190 CO 0.22 0.31 1.71 0.54 -0.76 0.00 0.00 175.35 177.37 1jbv n ARG 191 N -0.29 1.13 -0.61 1.68 1.74 -1.26 -0.79 116.66 118.25 1jbv n ARG 191 Ca -0.08 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 1jbv n ARG 191 Cb 0.59 -2.09 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 1jbv n ARG 191 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jbv n GLY 192 N 4.07 0.41 3.70 -0.13 0.00 0.07 -4.97 105.19 108.33 1jbv n GLY 192 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 1jbv n GLY 192 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jbv s ILE 193 N -2.00 5.11 0.66 -0.61 -1.09 0.03 -4.73 121.20 118.57 1jbv s ILE 193 Ca 0.00 1.10 -0.17 0.00 -2.23 0.00 0.00 60.65 59.34 1jbv s ILE 193 Cb 0.00 -3.89 -0.00 0.00 -1.58 0.00 0.00 42.46 36.99 1jbv s ILE 193 CO 0.00 0.24 1.27 -2.16 -1.23 0.00 0.00 174.94 173.06 1jbv s PRO 194 N 1.14 2.50 -0.04 2.79 0.04 -1.26 -4.42 135.00 135.75 1jbv s PRO 194 Ca 0.28 1.99 0.03 0.00 0.04 0.00 0.00 61.00 63.34 1jbv s PRO 194 Cb -0.16 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1jbv s PRO 194 CO 0.12 -1.62 -0.11 0.54 0.04 0.00 0.00 177.00 175.97 1jbv s VAL 195 N -1.53 0.97 -0.14 -0.36 0.11 0.02 -1.16 120.40 118.32 1jbv s VAL 195 Ca 0.81 -0.45 -0.00 0.00 -2.93 0.00 0.00 61.98 59.40 1jbv s VAL 195 Cb -0.35 -0.86 -0.01 0.00 -1.53 0.00 0.00 36.38 33.62 1jbv s VAL 195 CO 0.40 0.30 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.65 1jbv s VAL 196 N 0.25 3.01 0.22 2.04 1.01 -0.15 -1.01 120.40 125.77 1jbv s VAL 196 Ca -0.05 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1jbv s VAL 196 Cb -0.10 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1jbv s VAL 196 CO 0.01 0.52 0.08 0.42 0.00 0.00 0.00 175.10 176.13 1jbv s THR 197 N 0.49 0.46 0.45 3.92 -4.23 -0.28 -1.26 115.64 115.20 1jbv s THR 197 Ca -0.09 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 58.35 1jbv s THR 197 Cb -0.16 -2.48 0.10 0.00 1.34 0.00 0.00 72.50 71.31 1jbv s THR 197 CO 0.04 -0.12 0.61 0.61 -0.54 0.00 0.00 174.62 175.22 1jbv n GLY 198 N -0.37 -1.34 3.53 3.99 0.00 -0.94 -1.10 105.19 108.96 1jbv n GLY 198 Ca -0.01 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 1jbv n GLY 198 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jbv s ASN 199 N -3.23 6.75 0.48 1.61 2.47 -1.25 -3.89 114.94 117.88 1jbv s ASN 199 Ca 0.35 -2.20 -0.24 0.00 0.42 0.00 0.00 52.86 51.19 1jbv s ASN 199 Cb -0.01 -2.51 -0.07 0.00 -1.45 0.00 0.00 41.25 37.21 1jbv s ASN 199 CO 0.24 -1.16 1.31 -0.76 -3.72 0.00 0.00 177.10 173.00 1jbv s LEU 200 N 3.64 4.02 0.74 3.21 1.43 -1.26 -4.98 118.68 125.48 1jbv s LEU 200 Ca 0.46 2.64 -0.15 0.00 -1.03 0.00 0.00 54.13 56.05 1jbv s LEU 200 Cb -0.00 -4.12 0.04 0.00 0.03 0.00 0.00 46.19 42.14 1jbv s LEU 200 CO -0.02 -1.17 1.24 1.33 0.23 0.00 0.00 176.35 177.96 1jbv n VAL 201 N -0.48 3.31 -0.35 -1.59 0.24 -1.26 -4.42 118.33 113.77 1jbv n VAL 201 Ca 0.07 -0.34 0.06 0.00 -2.04 0.00 0.00 64.34 62.09 1jbv n VAL 201 Cb 0.45 -1.32 0.14 0.00 -1.47 0.00 0.00 33.84 31.63 1jbv n VAL 201 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1jbv h PRO 202 N -0.28 -0.00 -0.88 7.34 0.11 -1.98 0.97 132.00 137.28 1jbv h PRO 202 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1jbv h PRO 202 Cb 1.32 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.39 1jbv h PRO 202 CO 0.49 -0.00 0.47 -0.44 -0.21 0.00 0.00 178.00 178.31 1jbv h ASP 203 N -0.00 1.11 -0.12 -2.05 5.19 -1.97 -0.73 116.42 117.84 1jbv h ASP 203 Ca 0.47 -0.10 -0.23 0.00 -0.62 0.00 0.00 57.03 56.55 1jbv h ASP 203 Cb 0.72 -0.28 0.01 0.00 0.18 0.00 0.00 39.33 39.96 1jbv h ASP 203 CO -1.01 0.89 -0.82 0.00 -3.12 0.00 0.00 179.24 175.18 1jbv h ALA 204 N 1.28 0.29 -0.61 3.45 0.00 -1.44 -2.96 119.26 119.28 1jbv h ALA 204 Ca 0.31 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1jbv h ALA 204 Cb 0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1jbv h ALA 204 CO -0.05 0.69 0.34 0.00 0.00 0.00 0.00 179.25 180.23 1jbv h ALA 205 N 0.54 1.46 -0.46 0.00 0.00 -0.57 -1.62 119.26 118.61 1jbv h ALA 205 Ca -0.06 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1jbv h ALA 205 Cb 1.45 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1jbv h ALA 205 CO 0.17 0.45 0.05 0.00 0.00 0.00 0.00 179.25 179.92 1jbv h ALA 206 N 1.53 0.61 -0.55 0.00 0.00 -1.10 0.13 119.26 119.89 1jbv h ALA 206 Ca 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jbv h ALA 206 Cb 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1jbv h ALA 206 CO -0.04 0.37 0.31 0.28 0.00 0.00 0.00 179.25 180.17 1jbv h VAL 207 N 0.64 1.18 -0.32 0.00 2.07 -1.28 -1.51 116.25 117.03 1jbv h VAL 207 Ca 0.14 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1jbv h VAL 207 Cb 0.43 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1jbv h VAL 207 CO 0.01 0.19 -0.13 0.58 0.02 0.00 0.00 177.57 178.24 1jbv h VAL 208 N 0.74 1.29 -0.59 2.57 2.07 -1.11 -1.01 116.25 120.20 1jbv h VAL 208 Ca 0.19 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.52 1jbv h VAL 208 Cb 0.03 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1jbv h VAL 208 CO -0.03 0.40 0.35 0.00 0.02 0.00 0.00 177.57 178.31 1jbv h ALA 209 N 0.77 0.77 -0.60 1.67 0.00 -0.57 0.13 119.26 121.43 1jbv h ALA 209 Ca 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1jbv h ALA 209 Cb 0.65 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1jbv h ALA 209 CO 0.04 0.07 0.11 0.00 0.00 0.00 0.00 179.25 179.47 1jbv h ALA 210 N 1.27 1.06 -0.13 0.00 0.00 -1.19 -2.18 119.26 118.08 1jbv h ALA 210 Ca 0.24 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1jbv h ALA 210 Cb 0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1jbv h ALA 210 CO -0.11 0.61 -0.00 -0.22 0.00 0.00 0.00 179.25 179.52 1jbv h LYS 211 N 0.91 0.23 0.00 0.00 1.63 0.01 -2.79 116.57 116.56 1jbv h LYS 211 Ca 0.19 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1jbv h LYS 211 Cb 0.38 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1jbv h LYS 211 CO 0.01 0.48 -0.07 -0.39 -3.45 0.00 0.00 179.45 176.03 1jbv h VAL 212 N -0.04 0.22 -0.54 2.00 -1.51 -0.74 -1.03 116.25 114.61 1jbv h VAL 212 Ca 0.04 -0.58 -0.07 0.00 -1.23 0.00 0.00 66.70 64.85 1jbv h VAL 212 Cb 0.38 1.47 -0.02 0.00 -2.13 0.00 0.00 31.29 30.99 1jbv h VAL 212 CO 0.01 0.07 0.05 0.00 -1.23 0.00 0.00 177.57 176.46 1jbv h ALA 213 N 1.93 0.72 0.00 5.19 0.00 -1.19 0.41 119.26 126.31 1jbv h ALA 213 Ca -0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 1jbv h ALA 213 Cb 0.46 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1jbv h ALA 213 CO 0.01 0.50 -0.73 1.79 0.00 0.00 0.00 179.25 180.81 1jbv h THR 214 N 0.80 1.29 0.00 0.00 1.35 -1.03 -3.28 112.91 112.04 1jbv h THR 214 Ca 0.16 -2.74 0.00 0.00 -0.55 0.00 0.00 66.41 63.28 1jbv h THR 214 Cb 0.46 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 1jbv h THR 214 CO 0.02 0.72 -1.05 0.35 -0.25 0.00 0.00 175.52 175.31 1jbv n THR 215 N -3.33 0.37 -1.20 6.82 -2.24 -0.49 -4.95 114.28 109.26 1jbv n THR 215 Ca 0.01 -0.40 -0.07 0.00 -2.27 0.00 0.00 64.05 61.32 1jbv n THR 215 Cb 0.81 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 1jbv n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jbv n GLY 216 N 1.28 0.90 3.77 3.38 0.00 0.14 -0.75 105.19 113.91 1jbv n GLY 216 Ca 0.01 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 1jbv n GLY 216 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jbv s SER 217 N -2.93 7.20 0.09 1.61 0.01 -1.10 -4.52 113.70 114.07 1jbv s SER 217 Ca 0.00 2.05 -0.30 0.00 1.31 0.00 0.00 55.95 59.00 1jbv s SER 217 Cb 0.00 -2.60 -0.06 0.00 0.21 0.00 0.00 66.02 63.57 1jbv s SER 217 CO 0.00 -0.18 1.17 -1.58 0.41 0.00 0.00 173.24 173.06 1jbv s GLN 218 N -1.86 4.47 -0.26 12.44 0.74 -1.26 -4.86 119.66 129.06 1jbv s GLN 218 Ca 0.49 1.76 -0.03 0.00 0.05 0.00 0.00 55.36 57.63 1jbv s GLN 218 Cb -0.25 -3.33 0.02 0.00 1.10 0.00 0.00 33.01 30.56 1jbv s GLN 218 CO 0.31 -0.18 -0.02 -0.46 -0.55 0.00 0.00 175.29 174.40 1jbv s TRP 219 N 0.73 3.10 -0.24 1.67 -0.00 -1.26 -0.80 118.94 122.14 1jbv s TRP 219 Ca 0.56 -1.43 -0.07 0.00 -0.00 0.00 0.00 56.10 55.16 1jbv s TRP 219 Cb -0.29 -2.11 -0.03 0.00 -0.00 0.00 0.00 33.47 31.03 1jbv s TRP 219 CO 0.31 -0.70 0.07 -0.51 -0.00 0.00 0.00 176.95 176.13 1jbv s LEU 220 N 1.36 3.53 -0.07 5.86 1.43 -0.18 -5.00 118.68 125.62 1jbv s LEU 220 Ca 0.00 -0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.01 1jbv s LEU 220 Cb -0.17 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 1jbv s LEU 220 CO -0.02 0.01 -0.22 -0.60 0.23 0.00 0.00 176.35 175.75 1jbv s ARG 221 N 1.37 2.67 0.31 1.70 3.52 -1.26 -1.13 118.95 126.13 1jbv s ARG 221 Ca 0.05 -0.84 -0.29 0.00 -0.13 0.00 0.00 55.73 54.52 1jbv s ARG 221 Cb -0.15 -2.26 -0.12 0.00 -1.56 0.00 0.00 34.95 30.86 1jbv s ARG 221 CO 0.04 0.39 1.40 0.34 -0.81 0.00 0.00 175.30 176.66 1jbv n PHE 222 N 2.94 2.45 -1.22 5.12 7.35 -0.26 -1.01 117.46 132.83 1jbv n PHE 222 Ca -0.18 0.45 -0.08 0.00 -0.76 0.00 0.00 57.45 56.89 1jbv n PHE 222 Cb 0.52 -2.48 -0.03 0.00 0.35 0.00 0.00 39.48 37.84 1jbv n PHE 222 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1jbv n ASP 223 N 1.33 -4.27 0.12 -2.13 8.00 0.18 -3.91 116.55 115.87 1jbv n ASP 223 Ca 0.07 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1jbv n ASP 223 Cb 0.35 -2.44 0.00 0.00 -0.02 0.00 0.00 41.12 39.01 1jbv n ASP 223 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1jbv n ARG 224 N -2.32 0.00 -0.01 -1.24 0.63 -0.42 -4.93 116.66 108.37 1jbv n ARG 224 Ca -0.08 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.89 1jbv n ARG 224 Cb 0.31 -0.10 -0.13 0.00 0.45 0.00 0.00 32.46 33.00 1jbv n ARG 224 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1jbv n ASP 225 N -3.45 0.31 -3.72 6.15 8.00 -0.18 -4.98 116.55 118.68 1jbv n ASP 225 Ca 0.00 0.13 -0.12 0.00 0.71 0.00 0.00 54.79 55.51 1jbv n ASP 225 Cb 0.00 1.14 -0.07 0.00 -0.02 0.00 0.00 41.12 42.17 1jbv n ASP 225 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1jbv s PHE 226 N -3.12 -0.15 0.35 1.24 -0.12 -1.23 -3.50 117.98 111.45 1jbv s PHE 226 Ca -0.06 -0.00 -0.16 0.00 -0.05 0.00 0.00 56.93 56.65 1jbv s PHE 226 Cb 0.10 0.14 0.06 0.00 -0.63 0.00 0.00 43.02 42.70 1jbv s PHE 226 CO 0.85 -0.55 0.84 -1.13 -0.05 0.00 0.00 175.22 175.18 1jbv n SER 227 N 0.41 -2.19 -3.81 1.98 3.41 0.27 0.50 113.62 114.19 1jbv n SER 227 Ca -0.18 -2.45 -0.29 0.00 -0.26 0.00 0.00 58.87 55.69 1jbv n SER 227 Cb 0.60 3.63 -0.13 0.00 -0.26 0.00 0.00 64.21 68.05 1jbv n SER 227 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jbv s VAL 228 N -2.09 2.15 0.43 -3.33 1.01 -1.26 -1.11 120.40 116.19 1jbv s VAL 228 Ca 0.17 -3.40 0.13 0.00 0.00 0.00 0.00 61.98 58.88 1jbv s VAL 228 Cb -0.05 -2.46 0.18 0.00 0.00 0.00 0.00 36.38 34.06 1jbv s VAL 228 CO 0.11 -0.95 1.98 1.55 0.00 0.00 0.00 175.10 177.79 1jbv h PRO 229 N 6.07 0.09 -5.67 2.72 0.13 -1.93 -3.44 132.00 129.97 1jbv h PRO 229 Ca 0.06 -0.02 -0.52 0.00 -0.87 0.00 0.00 66.00 64.65 1jbv h PRO 229 Cb 0.85 -0.01 -0.26 0.00 0.13 0.00 0.00 31.00 31.71 1jbv h PRO 229 CO 0.61 0.24 -0.82 0.15 -0.23 0.00 0.00 178.00 177.95 1jbv s LYS 230 N -4.72 1.20 -0.29 0.86 1.02 -1.26 -5.01 119.74 111.54 1jbv s LYS 230 Ca -0.05 -0.79 -0.16 0.00 0.02 0.00 0.00 55.97 55.00 1jbv s LYS 230 Cb 0.16 -1.24 0.16 0.00 -0.52 0.00 0.00 37.83 36.38 1jbv s LYS 230 CO 0.71 0.32 1.02 0.00 -0.92 0.00 0.00 175.35 176.47 1jbv s ALA 231 N -0.72 -2.36 0.09 5.17 0.00 -1.26 -1.32 121.76 121.36 1jbv s ALA 231 Ca 0.05 2.17 -0.10 0.00 0.00 0.00 0.00 51.96 54.08 1jbv s ALA 231 Cb -0.08 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1jbv s ALA 231 CO 0.01 -0.38 0.22 -1.59 0.00 0.00 0.00 175.76 174.02 1jbv s LYS 232 N 1.36 0.87 0.46 0.00 -2.85 -0.54 -5.00 119.74 114.03 1jbv s LYS 232 Ca -0.09 -0.90 -0.23 0.00 -1.00 0.00 0.00 55.97 53.76 1jbv s LYS 232 Cb -0.04 0.36 -0.07 0.00 -2.06 0.00 0.00 37.83 36.02 1jbv s LYS 232 CO -0.14 -0.28 1.19 -0.51 0.10 0.00 0.00 175.35 175.70 1jbv s LEU 233 N -2.80 4.02 -0.34 2.77 1.43 -1.26 -1.36 118.68 121.14 1jbv s LEU 233 Ca 0.04 2.36 0.05 0.00 -1.03 0.00 0.00 54.13 55.55 1jbv s LEU 233 Cb 0.04 -4.21 0.17 0.00 0.03 0.00 0.00 46.19 42.22 1jbv s LEU 233 CO -0.11 -0.95 0.50 -2.28 0.23 0.00 0.00 176.35 173.75 1jbv s HIS 234 N -1.50 -1.24 0.00 0.29 2.46 -0.43 -4.72 115.29 110.15 1jbv s HIS 234 Ca 0.63 0.21 0.00 0.00 0.47 0.00 0.00 55.06 56.37 1jbv s HIS 234 Cb -0.30 0.02 0.00 0.00 -0.13 0.00 0.00 32.58 32.17 1jbv s HIS 234 CO 0.37 -1.06 0.00 0.41 -2.47 0.00 0.00 174.74 171.99 1jbv n GLY 235 N 4.86 0.44 2.50 1.59 0.00 -1.26 -2.87 105.19 110.46 1jbv n GLY 235 Ca 0.07 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 1jbv n GLY 235 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1jbv n TRP 236 N 2.61 2.62 -2.67 1.61 -0.00 -1.26 -4.82 117.44 115.53 1jbv n TRP 236 Ca 0.00 -2.80 0.00 0.00 -0.00 0.00 0.00 57.50 54.70 1jbv n TRP 236 Cb 0.00 -1.79 0.00 0.00 -0.00 0.00 0.00 31.31 29.52 1jbv n TRP 236 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1jbv n GLY 237 N 1.63 1.29 2.98 5.87 0.00 -1.14 -4.17 105.19 111.66 1jbv n GLY 237 Ca 0.61 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1jbv n GLY 237 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jbv s GLN 238 N 1.09 0.19 -0.17 1.61 -0.21 -0.44 -1.31 119.66 120.42 1jbv s GLN 238 Ca 0.00 -0.09 -0.03 0.00 0.02 0.00 0.00 55.36 55.27 1jbv s GLN 238 Cb 0.00 0.08 -0.02 0.00 1.00 0.00 0.00 33.01 34.07 1jbv s GLN 238 CO 0.00 -0.03 -0.07 0.50 -2.12 0.00 0.00 175.29 173.57 1jbv s ARG 239 N -0.43 3.48 0.18 2.91 3.52 -0.46 -1.89 118.95 126.26 1jbv s ARG 239 Ca -0.05 -0.61 -0.09 0.00 -0.13 0.00 0.00 55.73 54.85 1jbv s ARG 239 Cb -0.03 -2.85 -0.01 0.00 -1.56 0.00 0.00 34.95 30.50 1jbv s ARG 239 CO 0.00 0.09 0.30 -0.59 -0.81 0.00 0.00 175.30 174.29 1jbv s PHE 240 N 0.72 0.45 -0.09 5.12 -0.12 0.11 -1.47 117.98 122.69 1jbv s PHE 240 Ca -0.03 -0.80 0.03 0.00 -0.05 0.00 0.00 56.93 56.07 1jbv s PHE 240 Cb -0.15 -0.06 -0.02 0.00 -0.63 0.00 0.00 43.02 42.16 1jbv s PHE 240 CO 0.02 -0.75 -0.16 0.99 -0.05 0.00 0.00 175.22 175.27 1jbv s THR 241 N -3.99 2.82 -0.08 -4.49 2.01 -0.43 0.27 115.64 111.75 1jbv s THR 241 Ca 0.19 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.39 1jbv s THR 241 Cb 0.03 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 1jbv s THR 241 CO 0.02 0.56 0.03 -0.47 -0.69 0.00 0.00 174.62 174.07 1jbv s TYR 242 N -0.14 3.23 -0.01 4.92 5.04 -0.70 -3.41 117.35 126.29 1jbv s TYR 242 Ca -0.02 0.24 0.01 0.00 -2.44 0.00 0.00 57.07 54.87 1jbv s TYR 242 Cb -0.14 -1.80 -0.00 0.00 0.35 0.00 0.00 41.96 40.37 1jbv s TYR 242 CO 0.04 0.52 -0.05 -2.00 -1.34 0.00 0.00 175.55 172.72 1jbv s GLU 243 N -1.02 0.39 0.00 4.97 2.12 -0.27 -0.68 118.70 124.21 1jbv s GLU 243 Ca 0.15 -0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.32 1jbv s GLU 243 Cb -0.11 -0.39 0.00 0.00 0.26 0.00 0.00 34.13 33.89 1jbv s GLU 243 CO 0.04 0.09 0.00 -0.40 -0.54 0.00 0.00 175.26 174.45 1jbv n ASP 244 N 3.04 0.00 0.29 -1.70 5.68 -0.08 -0.57 116.55 123.21 1jbv n ASP 244 Ca -0.14 -0.48 0.19 0.00 -0.50 0.00 0.00 54.79 53.86 1jbv n ASP 244 Cb 0.58 0.00 0.97 0.00 -1.14 0.00 0.00 41.12 41.53 1jbv n ASP 244 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 1jbv h GLN 245 N 0.00 0.00 -0.02 0.11 -0.00 -1.97 -1.73 115.11 111.50 1jbv h GLN 245 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1jbv h GLN 245 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1jbv h GLN 245 CO 0.00 0.00 -0.14 -0.25 -0.00 0.00 0.00 178.83 178.44 1jbv n ASP 246 N -3.38 1.72 0.00 0.06 8.00 -1.26 -5.06 116.55 116.63 1jbv n ASP 246 Ca -0.01 -1.42 0.00 0.00 0.71 0.00 0.00 54.79 54.07 1jbv n ASP 246 Cb 0.23 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1jbv n ASP 246 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jbv n GLY 247 N 1.29 0.46 3.43 0.44 0.00 -0.65 -5.06 105.19 105.09 1jbv n GLY 247 Ca 0.15 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 1jbv n GLY 247 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jbv s ARG 248 N -0.30 1.75 -0.30 1.61 0.52 -1.26 -0.90 118.95 120.07 1jbv s ARG 248 Ca 0.00 -1.17 0.01 0.00 -0.52 0.00 0.00 55.73 54.05 1jbv s ARG 248 Cb 0.00 -2.05 0.07 0.00 0.52 0.00 0.00 34.95 33.49 1jbv s ARG 248 CO 0.00 0.49 -0.02 0.42 0.02 0.00 0.00 175.30 176.22 1jbv s ILE 249 N -1.01 2.55 0.28 1.52 1.01 0.15 -4.98 121.20 120.71 1jbv s ILE 249 Ca 0.15 -1.74 -0.19 0.00 0.00 0.00 0.00 60.65 58.86 1jbv s ILE 249 Cb -0.10 -2.59 -0.09 0.00 0.01 0.00 0.00 42.46 39.69 1jbv s ILE 249 CO 0.06 -0.23 0.77 -0.44 0.00 0.00 0.00 174.94 175.11 1jbv s SER 250 N 1.18 7.01 -1.38 3.58 0.01 -1.26 -1.72 113.70 121.12 1jbv s SER 250 Ca -0.02 1.46 -0.01 0.00 1.31 0.00 0.00 55.95 58.68 1jbv s SER 250 Cb -0.20 -2.44 -0.00 0.00 0.21 0.00 0.00 66.02 63.59 1jbv s SER 250 CO -0.04 -0.07 0.45 0.47 0.41 0.00 0.00 173.24 174.46 1jbv n ASP 251 N 0.32 -0.64 -4.81 2.44 8.00 -1.06 -4.96 116.55 115.84 1jbv n ASP 251 Ca 0.00 -1.00 -0.32 0.00 0.71 0.00 0.00 54.79 54.19 1jbv n ASP 251 Cb 0.52 -3.12 0.04 0.00 -0.02 0.00 0.00 41.12 38.53 1jbv n ASP 251 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1jbv s LEU 252 N -6.92 3.26 -0.01 0.64 1.43 0.14 -4.74 118.68 112.47 1jbv s LEU 252 Ca 0.03 1.73 0.02 0.00 -1.03 0.00 0.00 54.13 54.88 1jbv s LEU 252 Cb -0.01 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.70 1jbv s LEU 252 CO 0.88 -1.42 -0.07 -1.61 0.23 0.00 0.00 176.35 174.36 1jbv s GLU 253 N -4.65 0.65 -0.02 1.70 2.02 -1.26 -0.71 118.70 116.44 1jbv s GLU 253 Ca 0.61 -0.22 0.00 0.00 0.02 0.00 0.00 54.97 55.38 1jbv s GLU 253 Cb -0.15 -0.64 0.02 0.00 0.10 0.00 0.00 34.13 33.46 1jbv s GLU 253 CO 0.48 0.10 0.01 0.54 0.02 0.00 0.00 175.26 176.41 1jbv s VAL 254 N 0.09 0.04 -0.23 2.63 0.11 -0.79 -2.92 120.40 119.34 1jbv s VAL 254 Ca -0.01 0.11 -0.05 0.00 -2.93 0.00 0.00 61.98 59.10 1jbv s VAL 254 Cb -0.06 -0.13 -0.19 0.00 -1.53 0.00 0.00 36.38 34.48 1jbv s VAL 254 CO -0.00 0.08 2.89 -0.81 -3.33 0.00 0.00 175.10 173.94 1jbv n PRO 255 N 3.84 1.81 -3.89 1.54 -0.04 -1.26 -1.33 135.00 135.68 1jbv n PRO 255 Ca -0.23 -0.97 -0.17 0.00 -0.04 0.00 0.00 63.50 62.08 1jbv n PRO 255 Cb 0.53 -2.02 -0.16 0.00 -0.04 0.00 0.00 33.50 31.80 1jbv n PRO 255 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jbv s LEU 256 N 0.02 1.07 0.36 1.53 1.43 -1.26 -4.67 118.68 117.16 1jbv s LEU 256 Ca 0.53 -0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.69 1jbv s LEU 256 Cb 0.23 -0.21 -0.02 0.00 0.03 0.00 0.00 46.19 46.22 1jbv s LEU 256 CO -0.01 -0.12 0.39 0.68 0.23 0.00 0.00 176.35 177.52 1jbv s VAL 257 N 1.14 3.53 0.00 -1.59 -7.23 -1.26 -3.70 120.40 111.28 1jbv s VAL 257 Ca -0.08 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 1jbv s VAL 257 Cb -0.13 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.60 1jbv s VAL 257 CO -0.02 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.25 1jbv n GLY 258 N -1.53 2.42 0.24 2.32 0.00 -1.26 -4.77 105.19 102.61 1jbv n GLY 258 Ca 0.00 -1.14 0.02 0.00 0.00 0.00 0.00 46.02 44.90 1jbv n GLY 258 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1jbv h ASP 259 N 0.00 -0.12 0.19 1.61 2.03 -1.95 -1.12 116.42 117.05 1jbv h ASP 259 Ca 0.00 0.13 -0.00 0.00 -0.73 0.00 0.00 57.03 56.43 1jbv h ASP 259 Cb 0.00 0.21 -0.00 0.00 -0.83 0.00 0.00 39.33 38.71 1jbv h ASP 259 CO 0.00 -0.05 -0.00 0.10 -1.03 0.00 0.00 179.24 178.26 1jbv h TYR 260 N 0.20 0.00 0.00 4.15 -0.00 -1.94 -1.57 116.97 117.81 1jbv h TYR 260 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.06 1jbv h TYR 260 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.26 1jbv h TYR 260 CO -0.30 0.00 0.00 1.96 -0.00 0.00 0.00 178.16 179.82 1jbv h GLN 261 N 0.00 0.00 -0.14 0.10 1.08 -1.50 -2.63 115.11 112.02 1jbv h GLN 261 Ca -0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1jbv h GLN 261 Cb 0.09 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1jbv h GLN 261 CO 0.00 0.00 -0.01 1.96 -0.95 0.00 0.00 178.83 179.83 1jbv h GLN 262 N 0.00 0.26 -0.48 1.46 4.20 -1.40 -0.66 115.11 118.49 1jbv h GLN 262 Ca 0.00 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1jbv h GLN 262 Cb 0.42 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1jbv h GLN 262 CO 0.00 0.51 0.20 -0.09 -0.67 0.00 0.00 178.83 178.78 1jbv h ARG 263 N -0.01 0.71 -0.56 1.46 2.43 -1.64 -0.58 114.38 116.19 1jbv h ARG 263 Ca 0.04 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 1jbv h ARG 263 Cb 0.40 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1jbv h ARG 263 CO 0.01 0.63 0.14 -0.91 -1.51 0.00 0.00 179.97 178.32 1jbv h ASN 264 N 0.64 0.80 0.06 -3.80 2.35 -1.37 0.68 115.58 114.93 1jbv h ASN 264 Ca 0.16 -0.14 -0.19 0.00 -0.55 0.00 0.00 56.30 55.57 1jbv h ASN 264 Cb 0.17 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1jbv h ASN 264 CO -0.02 0.78 -0.71 0.24 -1.65 0.00 0.00 177.43 176.08 1jbv h MET 265 N 0.82 0.59 -0.55 0.81 2.86 -0.94 -1.09 114.93 117.43 1jbv h MET 265 Ca 0.18 -0.46 -0.08 0.00 -2.06 0.00 0.00 59.70 57.29 1jbv h MET 265 Cb 0.30 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1jbv h MET 265 CO -0.00 1.08 0.05 0.00 1.06 0.00 0.00 176.91 179.09 1jbv h ALA 266 N 0.80 0.73 -0.67 6.32 0.00 -0.76 0.20 119.26 125.88 1jbv h ALA 266 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1jbv h ALA 266 Cb 1.30 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1jbv h ALA 266 CO 0.13 0.52 0.42 0.82 0.00 0.00 0.00 179.25 181.14 1jbv h ILE 267 N 0.82 1.18 -0.10 0.00 2.04 -0.75 -1.15 117.51 119.56 1jbv h ILE 267 Ca 0.16 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1jbv h ILE 267 Cb 0.47 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1jbv h ILE 267 CO 0.02 0.18 0.06 0.00 0.00 0.00 0.00 178.15 178.41 1jbv h ALA 268 N 1.22 0.12 0.06 1.87 0.00 -0.76 -0.81 119.26 120.97 1jbv h ALA 268 Ca 0.24 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1jbv h ALA 268 Cb -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1jbv h ALA 268 CO -0.05 -0.38 -0.11 0.82 0.00 0.00 0.00 179.25 179.54 1jbv h ILE 269 N 0.11 0.75 -0.82 0.00 2.04 -0.69 -0.08 117.51 118.82 1jbv h ILE 269 Ca 0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.90 1jbv h ILE 269 Cb 0.01 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1jbv h ILE 269 CO -0.01 0.00 0.53 -0.61 0.00 0.00 0.00 178.15 178.07 1jbv h GLN 270 N -0.21 1.08 -0.46 2.37 5.75 -1.12 -1.39 115.11 121.12 1jbv h GLN 270 Ca 0.02 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.42 1jbv h GLN 270 Cb 0.23 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 1jbv h GLN 270 CO -0.06 0.72 0.15 1.15 -2.65 0.00 0.00 178.83 178.14 1jbv h THR 271 N 1.11 1.22 -0.71 2.39 2.02 -0.91 -0.58 112.91 117.45 1jbv h THR 271 Ca 0.30 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 1jbv h THR 271 Cb -0.12 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1jbv h THR 271 CO -0.06 0.26 0.36 0.00 0.37 0.00 0.00 175.52 176.45 1jbv h ALA 272 N 1.00 0.91 -0.71 6.16 0.00 -0.64 -0.14 119.26 125.84 1jbv h ALA 272 Ca 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1jbv h ALA 272 Cb 0.26 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1jbv h ALA 272 CO -0.01 0.46 0.32 0.87 0.00 0.00 0.00 179.25 180.89 1jbv h LYS 273 N 0.99 1.04 -0.31 0.00 1.57 -0.97 -0.61 116.57 118.27 1jbv h LYS 273 Ca 0.25 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1jbv h LYS 273 Cb 0.09 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1jbv h LYS 273 CO -0.03 0.83 0.09 0.28 -0.57 0.00 0.00 179.45 180.05 1jbv h VAL 274 N 1.00 1.21 -0.25 0.50 2.07 -0.70 -0.98 116.25 119.10 1jbv h VAL 274 Ca 0.24 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 67.12 1jbv h VAL 274 Cb 0.15 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1jbv h VAL 274 CO -0.03 0.23 0.05 0.22 0.02 0.00 0.00 177.57 178.06 1jbv h TYR 275 N 0.35 0.09 -0.63 1.57 3.20 -0.82 0.26 116.97 120.99 1jbv h TYR 275 Ca 0.10 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1jbv h TYR 275 Cb 0.26 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 1jbv h TYR 275 CO 0.01 0.03 0.38 0.00 -1.64 0.00 0.00 178.16 176.94 1jbv h ALA 276 N 1.18 0.80 -0.34 1.82 0.00 -0.97 -1.62 119.26 120.13 1jbv h ALA 276 Ca 0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1jbv h ALA 276 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1jbv h ALA 276 CO -0.15 0.27 0.02 -0.22 0.00 0.00 0.00 179.25 179.17 1jbv h LYS 277 N 0.85 0.58 0.00 0.00 3.64 -0.92 0.24 116.57 120.97 1jbv h LYS 277 Ca 0.23 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1jbv h LYS 277 Cb -0.03 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1jbv h LYS 277 CO -0.04 0.69 -0.10 1.96 -2.27 0.00 0.00 179.45 179.68 1jbv h GLN 278 N 0.40 0.00 -0.40 1.90 1.08 -0.70 -2.70 115.11 114.69 1jbv h GLN 278 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1jbv h GLN 278 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1jbv h GLN 278 CO 0.01 0.10 0.00 0.25 -0.95 0.00 0.00 178.83 178.25 1jbv n THR 279 N -3.54 0.91 -3.69 -0.54 -2.24 -0.63 -4.98 114.28 99.58 1jbv n THR 279 Ca -0.02 -0.96 -0.21 0.00 -2.27 0.00 0.00 64.05 60.59 1jbv n THR 279 Cb 0.24 0.57 0.04 0.00 -2.10 0.00 0.00 70.33 69.07 1jbv n THR 279 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1jbv n GLU 280 N 0.78 -5.13 -5.00 -0.78 4.07 -0.52 -4.98 120.64 109.07 1jbv n GLU 280 Ca 0.14 0.64 -0.32 0.00 -0.06 0.00 0.00 57.16 57.56 1jbv n GLU 280 Cb 0.46 -5.26 -0.14 0.00 -0.06 0.00 0.00 31.44 26.44 1jbv n GLU 280 CO 0.00 0.00 0.00 -0.46 -0.06 0.00 0.00 177.13 176.61 1jbv s TRP 281 N -3.62 2.61 0.21 4.31 -0.11 0.74 -5.03 118.94 118.04 1jbv s TRP 281 Ca 0.04 -0.25 -0.30 0.00 1.22 0.00 0.00 56.10 56.81 1jbv s TRP 281 Cb -0.02 -1.60 -0.09 0.00 -1.50 0.00 0.00 33.47 30.26 1jbv s TRP 281 CO 0.80 0.11 1.24 -2.14 -4.62 0.00 0.00 176.95 172.35 1jbv s PRO 282 N -0.66 4.45 -0.13 5.86 0.02 -1.26 -4.45 135.00 138.82 1jbv s PRO 282 Ca 0.10 1.97 -0.04 0.00 0.02 0.00 0.00 61.00 63.05 1jbv s PRO 282 Cb -0.11 -3.21 0.06 0.00 0.02 0.00 0.00 34.50 31.27 1jbv s PRO 282 CO 0.00 -0.14 0.19 -1.17 -0.33 0.00 0.00 177.00 175.55 1jbv s LEU 283 N -0.38 -0.10 0.29 -5.54 2.96 -1.26 -4.95 118.68 109.71 1jbv s LEU 283 Ca 0.53 0.15 0.07 0.00 -0.22 0.00 0.00 54.13 54.66 1jbv s LEU 283 Cb -0.35 0.34 -0.03 0.00 0.50 0.00 0.00 46.19 46.66 1jbv s LEU 283 CO 0.39 -0.28 0.27 0.42 -1.32 0.00 0.00 176.35 175.83 1jbv s THR 284 N 2.31 4.08 0.41 3.68 -4.23 -1.26 -4.99 115.64 115.64 1jbv s THR 284 Ca 0.04 -1.33 0.08 0.00 -1.18 0.00 0.00 61.69 59.31 1jbv s THR 284 Cb -0.13 -3.34 0.22 0.00 1.34 0.00 0.00 72.50 70.59 1jbv s THR 284 CO -0.08 -0.26 2.01 -0.65 -0.54 0.00 0.00 174.62 175.10 1jbv h PRO 285 N 1.31 0.40 -0.59 3.99 0.11 -2.01 -1.59 132.00 133.63 1jbv h PRO 285 Ca -0.47 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 1jbv h PRO 285 Cb 1.25 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1jbv h PRO 285 CO 0.59 0.35 0.02 1.96 -0.21 0.00 0.00 178.00 180.71 1jbv h GLN 286 N 0.40 1.01 -0.42 1.05 7.50 -1.99 0.12 115.11 122.80 1jbv h GLN 286 Ca 0.10 -0.30 -0.00 0.00 0.50 0.00 0.00 58.65 58.94 1jbv h GLN 286 Cb 0.11 -0.10 -0.02 0.00 0.05 0.00 0.00 27.48 27.52 1jbv h GLN 286 CO -0.01 0.98 0.25 -0.91 -1.50 0.00 0.00 178.83 177.64 1jbv h ASN 287 N 0.93 0.51 -0.18 1.46 -0.26 -1.66 -0.30 115.58 116.08 1jbv h ASN 287 Ca 0.17 -0.06 -0.00 0.00 -0.56 0.00 0.00 56.30 55.85 1jbv h ASN 287 Cb 0.52 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.64 1jbv h ASN 287 CO 0.03 0.42 0.10 0.40 -1.06 0.00 0.00 177.43 177.32 1jbv h ILE 288 N 0.55 1.09 -0.24 2.81 2.04 -1.07 0.10 117.51 122.78 1jbv h ILE 288 Ca 0.15 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1jbv h ILE 288 Cb 0.01 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1jbv h ILE 288 CO -0.03 0.08 0.12 -0.09 0.00 0.00 0.00 178.15 178.24 1jbv h ARG 289 N 0.20 0.25 -0.51 2.37 2.43 -0.58 -0.99 114.38 117.55 1jbv h ARG 289 Ca 0.06 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1jbv h ARG 289 Cb 0.04 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1jbv h ARG 289 CO -0.01 0.17 0.13 0.37 -1.51 0.00 0.00 179.97 179.12 1jbv h GLN 290 N 0.26 0.81 -0.41 0.20 4.15 -0.83 -1.14 115.11 118.15 1jbv h GLN 290 Ca 0.10 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 1jbv h GLN 290 Cb 0.02 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 1jbv h GLN 290 CO -0.06 0.77 0.25 0.78 -1.93 0.00 0.00 178.83 178.64 1jbv h GLY 291 N 0.70 0.59 1.02 2.39 0.00 -0.59 0.71 103.07 107.89 1jbv h GLY 291 Ca 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1jbv h GLY 291 CO -0.00 0.24 0.24 1.41 0.00 0.00 0.00 176.54 178.43 1jbv h LEU 292 N 0.54 0.93 -0.04 3.11 3.38 -1.02 -1.78 115.31 120.44 1jbv h LEU 292 Ca 0.15 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1jbv h LEU 292 Cb -0.01 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 1jbv h LEU 292 CO -0.03 0.86 -0.02 0.00 0.09 0.00 0.00 178.44 179.35 1jbv h ALA 293 N 1.10 0.05 0.00 1.53 0.00 -1.00 -3.13 119.26 117.82 1jbv h ALA 293 Ca 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jbv h ALA 293 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jbv h ALA 293 CO -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.01 1jbv n ALA 294 N -2.32 1.88 -1.28 0.00 0.00 0.22 -4.69 120.51 114.32 1jbv n ALA 294 Ca -0.08 -0.07 -0.31 0.00 0.00 0.00 0.00 53.44 52.99 1jbv n ALA 294 Cb 0.23 -1.30 0.10 0.00 0.00 0.00 0.00 19.45 18.48 1jbv n ALA 294 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1jbv s SER 295 N -2.91 4.33 -0.03 0.00 1.04 -0.67 -5.06 113.70 110.39 1jbv s SER 295 Ca 0.11 1.70 -0.21 0.00 0.48 0.00 0.00 55.95 58.03 1jbv s SER 295 Cb 0.12 -2.41 0.04 0.00 0.10 0.00 0.00 66.02 63.87 1jbv s SER 295 CO 0.33 -2.13 0.46 -1.00 0.98 0.00 0.00 173.24 171.88 1jbv s HIS 296 N -2.93 -0.38 -0.30 5.02 3.76 -1.26 -4.69 115.29 114.50 1jbv s HIS 296 Ca 0.61 0.63 0.01 0.00 -0.15 0.00 0.00 55.06 56.16 1jbv s HIS 296 Cb -0.17 0.23 0.09 0.00 1.11 0.00 0.00 32.58 33.84 1jbv s HIS 296 CO 0.56 -0.48 0.07 -1.58 -0.85 0.00 0.00 174.74 172.46 1jbv s TRP 297 N -1.25 2.28 0.27 1.40 0.52 -1.26 -5.08 118.94 115.82 1jbv s TRP 297 Ca -0.12 -2.03 -0.30 0.00 0.02 0.00 0.00 56.10 53.67 1jbv s TRP 297 Cb -0.03 -1.99 -0.09 0.00 -1.15 0.00 0.00 33.47 30.21 1jbv s TRP 297 CO 0.07 -0.87 1.07 -1.25 0.02 0.00 0.00 176.95 175.98 1jbv s PRO 298 N 1.42 4.69 0.00 4.98 0.04 -1.26 -3.87 135.00 140.99 1jbv s PRO 298 Ca 0.08 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1jbv s PRO 298 Cb -0.18 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1jbv s PRO 298 CO -0.18 0.27 0.00 0.00 0.04 0.00 0.00 177.00 177.13 1jbv n ALA 299 N 1.26 0.00 -3.91 8.56 0.00 -1.26 -4.92 120.51 120.23 1jbv n ALA 299 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 1jbv n ALA 299 Cb 0.45 -0.89 -0.13 0.00 0.00 0.00 0.00 19.45 18.87 1jbv n ALA 299 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1jbv s ARG 300 N -1.08 1.96 -1.43 0.00 1.70 -1.25 -0.80 118.95 118.06 1jbv s ARG 300 Ca 0.00 -2.37 -0.10 0.00 -0.47 0.00 0.00 55.73 52.79 1jbv s ARG 300 Cb 0.00 -3.39 0.05 0.00 -0.57 0.00 0.00 34.95 31.04 1jbv s ARG 300 CO 0.00 -1.08 1.05 -0.11 -1.08 0.00 0.00 175.30 174.08 1jbv n LEU 301 N 3.56 -3.01 -4.70 -1.89 -0.00 -1.11 -4.86 117.00 105.00 1jbv n LEU 301 Ca 0.05 -0.68 -0.38 0.00 -0.00 0.00 0.00 56.01 55.00 1jbv n LEU 301 Cb 0.36 -2.78 -0.07 0.00 -0.00 0.00 0.00 43.42 40.93 1jbv n LEU 301 CO 0.31 0.54 0.12 -0.70 -0.00 0.00 0.00 177.39 177.66 1jbv s GLU 302 N -6.39 4.25 -1.15 1.96 2.12 -0.43 -4.84 118.70 114.22 1jbv s GLU 302 Ca 0.55 0.30 -0.17 0.00 0.36 0.00 0.00 54.97 56.01 1jbv s GLU 302 Cb -0.26 -3.49 0.12 0.00 0.26 0.00 0.00 34.13 30.76 1jbv s GLU 302 CO 0.78 0.06 1.45 0.21 -0.54 0.00 0.00 175.26 177.23 1jbv s LYS 303 N 0.97 3.89 0.00 4.30 2.20 -1.26 -0.54 119.74 129.30 1jbv s LYS 303 Ca 0.22 -2.06 0.12 0.00 -0.36 0.00 0.00 55.97 53.89 1jbv s LYS 303 Cb -0.15 -5.20 0.62 0.00 -1.51 0.00 0.00 37.83 31.59 1jbv s LYS 303 CO 0.08 -1.96 1.32 0.44 -0.36 0.00 0.00 175.35 174.88 1jbv n ILE 304 N 5.57 0.74 -3.60 5.43 -5.35 -0.47 -4.76 119.36 116.92 1jbv n ILE 304 Ca 0.37 0.18 -0.16 0.00 -0.27 0.00 0.00 62.75 62.87 1jbv n ILE 304 Cb 0.46 -0.98 -0.07 0.00 -1.74 0.00 0.00 39.64 37.32 1jbv n ILE 304 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1jbv s SER 305 N -2.63 -0.50 -0.22 7.28 0.15 -0.93 -4.95 113.70 111.89 1jbv s SER 305 Ca 0.11 0.49 0.03 0.00 0.70 0.00 0.00 55.95 57.29 1jbv s SER 305 Cb 0.08 0.47 -0.16 0.00 -1.71 0.00 0.00 66.02 64.70 1jbv s SER 305 CO 0.20 -0.57 -0.17 -0.67 1.20 0.00 0.00 173.24 173.23 1jbv n ASP 306 N 1.00 2.03 -3.48 5.45 2.03 -1.26 -2.03 116.55 120.28 1jbv n ASP 306 Ca -0.20 -0.11 -0.23 0.00 0.52 0.00 0.00 54.79 54.77 1jbv n ASP 306 Cb 0.57 -0.21 -0.13 0.00 -0.72 0.00 0.00 41.12 40.63 1jbv n ASP 306 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1jbv s THR 307 N -2.46 -0.22 0.84 5.18 2.01 -1.26 -2.74 115.64 116.99 1jbv s THR 307 Ca -0.28 -0.58 -0.11 0.00 0.31 0.00 0.00 61.69 61.03 1jbv s THR 307 Cb 0.08 -0.95 0.10 0.00 0.01 0.00 0.00 72.50 71.74 1jbv s THR 307 CO 0.55 -0.57 1.10 -2.16 -0.69 0.00 0.00 174.62 172.85 1jbv s PRO 308 N 2.22 1.71 -0.45 4.92 0.04 -1.26 -5.07 135.00 137.10 1jbv s PRO 308 Ca 0.09 1.15 -0.25 0.00 0.04 0.00 0.00 61.00 62.03 1jbv s PRO 308 Cb -0.15 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.58 1jbv s PRO 308 CO -0.33 -2.02 0.88 -1.17 0.04 0.00 0.00 177.00 174.40 1jbv s LEU 309 N -6.15 4.09 -0.06 -3.56 0.20 -1.11 -4.66 118.68 107.43 1jbv s LEU 309 Ca 0.63 0.05 0.05 0.00 0.69 0.00 0.00 54.13 55.55 1jbv s LEU 309 Cb -0.19 -3.12 -0.00 0.00 -0.43 0.00 0.00 46.19 42.45 1jbv s LEU 309 CO 0.57 -1.00 -0.21 -0.63 -0.29 0.00 0.00 176.35 174.79 1jbv s ILE 310 N 3.58 1.75 -0.03 6.68 1.01 -0.86 -0.93 121.20 132.40 1jbv s ILE 310 Ca 0.35 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 60.15 1jbv s ILE 310 Cb -0.11 -1.50 -0.00 0.00 0.01 0.00 0.00 42.46 40.86 1jbv s ILE 310 CO 0.25 0.49 -0.15 -0.69 0.00 0.00 0.00 174.94 174.85 1jbv s VAL 311 N 0.06 1.21 0.01 2.92 1.01 -0.29 -1.36 120.40 123.96 1jbv s VAL 311 Ca -0.07 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.37 1jbv s VAL 311 Cb -0.14 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1jbv s VAL 311 CO 0.04 0.35 -0.21 0.27 0.00 0.00 0.00 175.10 175.55 1jbv s ILE 312 N 0.00 2.53 -0.02 2.22 -4.36 0.29 0.59 121.20 122.46 1jbv s ILE 312 Ca -0.02 -1.13 -0.04 0.00 -0.26 0.00 0.00 60.65 59.21 1jbv s ILE 312 Cb -0.10 -2.00 0.00 0.00 1.25 0.00 0.00 42.46 41.62 1jbv s ILE 312 CO 0.01 0.45 0.09 -0.62 0.24 0.00 0.00 174.94 175.11 1jbv s ASP 313 N -1.07 -0.02 -0.24 4.36 -1.08 0.58 -1.32 116.67 117.89 1jbv s ASP 313 Ca 0.12 -0.02 0.13 0.00 -0.52 0.00 0.00 52.55 52.27 1jbv s ASP 313 Cb -0.10 0.19 0.79 0.00 -1.46 0.00 0.00 42.92 42.34 1jbv s ASP 313 CO 0.02 -0.17 1.72 0.61 0.52 0.00 0.00 175.17 177.87 1jbv n GLY 314 N 2.37 3.00 3.45 2.66 0.00 0.02 -3.65 105.19 113.04 1jbv n GLY 314 Ca -0.17 -0.90 -0.54 0.00 0.00 0.00 0.00 46.02 44.40 1jbv n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jbv n ALA 315 N 0.55 0.60 -0.10 4.61 0.00 -1.26 -4.02 120.51 120.89 1jbv n ALA 315 Ca 0.28 0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.62 1jbv n ALA 315 Cb 1.19 -2.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.21 1jbv n ALA 315 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1jbv n HIS 316 N 8.33 0.00 -2.88 0.00 -0.00 -1.24 -2.19 115.22 117.24 1jbv n HIS 316 Ca 0.42 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 58.40 1jbv n HIS 316 Cb 0.14 -0.71 0.04 0.00 -0.12 0.00 0.00 29.99 29.35 1jbv n HIS 316 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1jbv s ASN 317 N -6.74 5.24 0.21 0.26 2.20 -1.26 -4.91 114.94 109.94 1jbv s ASN 317 Ca -0.30 -0.45 -0.09 0.00 -0.94 0.00 0.00 52.86 51.09 1jbv s ASN 317 Cb 0.10 -0.35 0.17 0.00 -2.00 0.00 0.00 41.25 39.17 1jbv s ASN 317 CO 0.39 -1.16 1.82 1.55 -2.94 0.00 0.00 177.10 176.76 1jbv h PRO 318 N 0.22 1.14 -0.83 3.55 0.13 -1.97 0.26 132.00 134.50 1jbv h PRO 318 Ca -0.37 -0.14 0.14 0.00 -0.87 0.00 0.00 66.00 64.76 1jbv h PRO 318 Cb 1.28 -0.22 -0.09 0.00 0.13 0.00 0.00 31.00 32.11 1jbv h PRO 318 CO 0.45 0.85 0.42 -0.44 -0.23 0.00 0.00 178.00 179.04 1jbv h ASP 319 N 1.13 0.49 0.00 1.44 3.32 -1.97 1.07 116.42 121.91 1jbv h ASP 319 Ca 0.28 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.39 1jbv h ASP 319 Cb 0.06 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1jbv h ASP 319 CO -0.04 0.21 -0.13 1.23 -1.72 0.00 0.00 179.24 178.79 1jbv h GLY 320 N 0.60 0.09 1.14 2.75 0.00 -1.83 -1.76 103.07 104.05 1jbv h GLY 320 Ca 0.45 -0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.50 1jbv h GLY 320 CO -0.36 0.14 -0.12 0.16 0.00 0.00 0.00 176.54 176.36 1jbv h ILE 321 N -0.69 1.27 -0.05 2.60 -0.00 -0.63 0.31 117.51 120.31 1jbv h ILE 321 Ca -0.02 -1.28 -0.15 0.00 -0.00 0.00 0.00 64.86 63.42 1jbv h ILE 321 Cb 0.93 0.99 -0.01 0.00 -0.00 0.00 0.00 36.82 38.73 1jbv h ILE 321 CO 0.02 0.45 -0.62 0.78 -0.00 0.00 0.00 178.15 178.78 1jbv h ASN 322 N 0.89 0.22 0.60 2.16 2.35 0.11 2.10 115.58 124.01 1jbv h ASN 322 Ca 0.14 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1jbv h ASN 322 Cb 0.69 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1jbv h ASN 322 CO 0.05 0.79 -0.35 1.23 -1.65 0.00 0.00 177.43 177.49 1jbv h GLY 323 N 1.57 0.00 0.26 2.83 0.00 -0.94 0.39 103.07 107.17 1jbv h GLY 323 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1jbv h GLY 323 CO 0.09 0.00 -0.12 -2.00 0.00 0.00 0.00 176.54 174.51 1jbv h LEU 324 N 0.00 -0.28 -0.73 3.11 5.85 0.11 0.61 115.31 123.98 1jbv h LEU 324 Ca -0.00 -0.02 0.16 0.00 0.84 0.00 0.00 57.88 58.85 1jbv h LEU 324 Cb 0.75 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.74 1jbv h LEU 324 CO 0.05 0.19 0.15 0.40 -0.34 0.00 0.00 178.44 178.89 1jbv h ILE 325 N -1.08 0.50 -0.33 4.05 2.04 0.35 2.35 117.51 125.39 1jbv h ILE 325 Ca -0.03 -0.08 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 1jbv h ILE 325 Cb 0.29 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1jbv h ILE 325 CO 0.06 0.04 -0.19 0.74 0.00 0.00 0.00 178.15 178.80 1jbv h THR 326 N 0.24 1.26 0.07 -0.27 2.02 -0.29 0.05 112.91 116.00 1jbv h THR 326 Ca 0.41 -1.22 -0.26 0.00 0.77 0.00 0.00 66.41 66.11 1jbv h THR 326 Cb 0.70 1.21 0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1jbv h THR 326 CO -0.52 0.40 -1.11 0.00 0.37 0.00 0.00 175.52 174.66 1jbv h ALA 327 N 1.24 0.17 0.03 6.16 0.00 0.18 -2.43 119.26 124.63 1jbv h ALA 327 Ca 0.09 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 1jbv h ALA 327 Cb 0.63 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1jbv h ALA 327 CO 0.04 0.80 -0.02 -0.07 0.00 0.00 0.00 179.25 180.01 1jbv h LEU 328 N 0.22 -0.04 -0.31 0.00 4.07 0.40 1.65 115.31 121.31 1jbv h LEU 328 Ca -0.13 -0.01 0.06 0.00 0.08 0.00 0.00 57.88 57.88 1jbv h LEU 328 Cb 1.78 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 43.47 1jbv h LEU 328 CO 0.20 -0.01 -0.05 0.11 -1.08 0.00 0.00 178.44 177.60 1jbv h LYS 329 N -0.06 0.03 -0.30 1.13 1.79 -1.01 3.25 116.57 121.40 1jbv h LYS 329 Ca -0.00 -0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 1jbv h LYS 329 Cb 0.05 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1jbv h LYS 329 CO 0.01 0.02 0.01 0.37 -1.08 0.00 0.00 179.45 178.77 1jbv h GLN 330 N 0.03 0.53 -0.23 3.15 5.75 -1.09 -3.18 115.11 120.07 1jbv h GLN 330 Ca 0.15 -0.16 -0.14 0.00 -0.15 0.00 0.00 58.65 58.34 1jbv h GLN 330 Cb 0.22 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1jbv h GLN 330 CO -0.30 0.66 -0.44 -0.07 -2.65 0.00 0.00 178.83 176.03 1jbv h LEU 331 N 0.33 0.62 -8.11 -2.39 4.07 0.33 -3.43 115.31 106.72 1jbv h LEU 331 Ca 0.09 -0.29 -0.61 0.00 0.08 0.00 0.00 57.88 57.15 1jbv h LEU 331 Cb 0.42 -0.17 -0.34 0.00 1.08 0.00 0.00 40.66 41.65 1jbv h LEU 331 CO 0.01 0.97 -0.85 -0.36 -1.08 0.00 0.00 178.44 177.14 1jbv s PHE 332 N -4.18 2.10 -0.59 1.13 0.40 1.08 -4.97 117.98 112.95 1jbv s PHE 332 Ca -0.07 -0.92 0.17 0.00 -0.60 0.00 0.00 56.93 55.50 1jbv s PHE 332 Cb 0.12 -1.47 -0.21 0.00 0.51 0.00 0.00 43.02 41.97 1jbv s PHE 332 CO 0.83 -0.43 0.63 -1.13 0.70 0.00 0.00 175.22 175.82 1jbv n SER 333 N 3.92 0.85 -4.92 1.36 3.41 -1.26 -4.23 113.62 112.76 1jbv n SER 333 Ca -0.20 -0.65 -0.20 0.00 -0.26 0.00 0.00 58.87 57.56 1jbv n SER 333 Cb 0.52 1.22 -0.02 0.00 -0.26 0.00 0.00 64.21 65.67 1jbv n SER 333 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jbv s GLN 334 N -2.77 2.79 0.27 4.33 1.03 -1.26 -5.09 119.66 118.96 1jbv s GLN 334 Ca 0.03 -1.28 -0.30 0.00 0.04 0.00 0.00 55.36 53.85 1jbv s GLN 334 Cb 0.12 -2.58 -0.13 0.00 0.03 0.00 0.00 33.01 30.46 1jbv s GLN 334 CO 0.71 -0.04 1.40 -2.30 -2.54 0.00 0.00 175.29 172.51 1jbv n PRO 335 N -1.55 2.14 -4.20 9.60 -0.02 -1.26 -5.03 135.00 134.67 1jbv n PRO 335 Ca 0.01 0.76 -0.12 0.00 -2.02 0.00 0.00 63.50 62.14 1jbv n PRO 335 Cb 0.60 -2.41 -0.10 0.00 -0.02 0.00 0.00 33.50 31.56 1jbv n PRO 335 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1jbv s ILE 336 N -0.32 0.20 -0.08 4.25 -4.36 -1.26 -4.28 121.20 115.34 1jbv s ILE 336 Ca 0.64 -1.97 0.01 0.00 -0.26 0.00 0.00 60.65 59.08 1jbv s ILE 336 Cb -0.61 -2.31 -0.03 0.00 1.25 0.00 0.00 42.46 40.76 1jbv s ILE 336 CO 0.53 -0.22 -0.10 -0.89 0.24 0.00 0.00 174.94 174.50 1jbv s THR 337 N -4.00 3.41 -0.12 8.37 2.01 0.92 -3.22 115.64 123.00 1jbv s THR 337 Ca 0.32 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.77 1jbv s THR 337 Cb 0.07 -2.39 0.01 0.00 0.01 0.00 0.00 72.50 70.20 1jbv s THR 337 CO 0.08 0.57 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.67 1jbv s VAL 338 N -0.46 2.01 -0.36 3.82 1.01 0.84 -0.49 120.40 126.78 1jbv s VAL 338 Ca 0.06 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 1jbv s VAL 338 Cb -0.12 -1.77 0.06 0.00 0.00 0.00 0.00 36.38 34.55 1jbv s VAL 338 CO 0.02 0.54 0.13 -0.63 0.00 0.00 0.00 175.10 175.17 1jbv s ILE 339 N 0.68 3.73 -0.19 2.22 1.01 -0.07 0.80 121.20 129.38 1jbv s ILE 339 Ca -0.11 -1.31 -0.03 0.00 0.00 0.00 0.00 60.65 59.20 1jbv s ILE 339 Cb -0.16 -3.20 -0.01 0.00 0.01 0.00 0.00 42.46 39.10 1jbv s ILE 339 CO 0.01 -0.29 -0.06 0.00 0.00 0.00 0.00 174.94 174.60 1jbv s ALA 340 N 1.36 2.80 -0.66 9.38 0.00 0.10 -1.92 121.76 132.83 1jbv s ALA 340 Ca -0.00 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 50.95 1jbv s ALA 340 Cb -0.21 -1.57 0.33 0.00 0.00 0.00 0.00 23.12 21.68 1jbv s ALA 340 CO 0.01 -0.17 1.08 0.41 0.00 0.00 0.00 175.76 177.09 1jbv n GLY 341 N 4.30 5.65 2.53 0.00 0.00 -0.85 -1.64 105.19 115.18 1jbv n GLY 341 Ca -0.18 -2.76 -0.33 0.00 0.00 0.00 0.00 46.02 42.76 1jbv n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jbv n ALA 350 N -0.13 6.55 1.02 4.61 0.00 -1.26 -4.65 120.51 126.65 1jbv n ALA 350 Ca 0.33 -3.55 0.05 0.00 0.00 0.00 0.00 53.44 50.26 1jbv n ALA 350 Cb 0.37 -2.33 0.27 0.00 0.00 0.00 0.00 19.45 17.76 1jbv n ALA 350 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1jbv n MET 351 N 0.96 0.51 -0.06 0.00 2.00 -1.26 -2.82 117.12 116.45 1jbv n MET 351 Ca 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 58.11 1jbv n MET 351 Cb 0.41 -1.28 -0.06 0.00 0.00 0.00 0.00 33.22 32.30 1jbv n MET 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1jbv h ALA 352 N 2.57 0.25 -0.50 3.04 0.00 -2.00 -3.10 119.26 119.52 1jbv h ALA 352 Ca 0.00 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 54.75 1jbv h ALA 352 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1jbv h ALA 352 CO 0.00 0.04 0.34 -0.44 0.00 0.00 0.00 179.25 179.19 1jbv h ASP 353 N 0.06 0.22 1.29 0.00 3.32 -1.96 0.19 116.42 119.54 1jbv h ASP 353 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1jbv h ASP 353 Cb 0.51 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1jbv h ASP 353 CO 0.02 0.13 0.00 0.03 -1.72 0.00 0.00 179.24 177.71 1jbv h ARG 354 N 0.25 0.00 0.03 3.56 2.47 -1.75 -2.95 114.38 115.99 1jbv h ARG 354 Ca 0.23 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.73 1jbv h ARG 354 Cb 0.59 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.89 1jbv h ARG 354 CO -0.05 0.00 -1.23 -0.07 0.56 0.00 0.00 179.97 179.19 1jbv h LEU 355 N 0.00 0.11 -2.01 3.04 3.38 -0.66 -3.18 115.31 115.99 1jbv h LEU 355 Ca 0.00 -0.67 -0.02 0.00 0.09 0.00 0.00 57.88 57.28 1jbv h LEU 355 Cb 0.64 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1jbv h LEU 355 CO 0.00 1.50 -0.09 0.71 0.09 0.00 0.00 178.44 180.65 1jbv h THR 356 N -0.77 0.74 0.00 0.22 1.35 -1.38 0.34 112.91 113.42 1jbv h THR 356 Ca -0.31 -0.36 -0.03 0.00 -0.55 0.00 0.00 66.41 65.16 1jbv h THR 356 Cb 1.43 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 69.06 1jbv h THR 356 CO -0.11 0.09 -0.86 0.00 -0.25 0.00 0.00 175.52 174.39 1jbv h ALA 357 N 1.91 0.62 0.02 6.62 0.00 -1.68 -3.36 119.26 123.38 1jbv h ALA 357 Ca -0.00 -0.15 -0.31 0.00 0.00 0.00 0.00 54.91 54.45 1jbv h ALA 357 Cb 0.21 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1jbv h ALA 357 CO 0.01 0.17 -1.83 0.00 0.00 0.00 0.00 179.25 177.61 1jbv n ALA 358 N -2.20 1.41 -2.57 0.00 0.00 -0.35 -4.97 120.51 111.82 1jbv n ALA 358 Ca -0.01 -0.80 -0.23 0.00 0.00 0.00 0.00 53.44 52.41 1jbv n ALA 358 Cb 0.60 -0.75 -0.12 0.00 0.00 0.00 0.00 19.45 19.17 1jbv n ALA 358 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1jbv s PHE 359 N -2.58 1.67 0.03 0.00 0.40 0.11 -5.08 117.98 112.52 1jbv s PHE 359 Ca -0.08 -0.42 -0.14 0.00 -0.60 0.00 0.00 56.93 55.68 1jbv s PHE 359 Cb 0.08 -0.92 -0.08 0.00 0.51 0.00 0.00 43.02 42.61 1jbv s PHE 359 CO 0.81 0.17 1.22 0.66 0.70 0.00 0.00 175.22 178.78 1jbv h SER 360 N 4.16 -0.47 -3.66 1.36 4.64 -1.86 -3.41 113.55 114.30 1jbv h SER 360 Ca -0.45 0.02 -0.68 0.00 -0.47 0.00 0.00 61.79 60.21 1jbv h SER 360 Cb 1.18 0.13 -0.21 0.00 -0.31 0.00 0.00 62.40 63.19 1jbv h SER 360 CO 0.40 -0.30 -0.52 -0.89 -0.87 0.00 0.00 176.83 174.65 1jbv s THR 361 N -4.12 4.87 -0.17 2.95 2.01 -1.20 -5.05 115.64 114.93 1jbv s THR 361 Ca -0.07 -0.42 -0.00 0.00 0.31 0.00 0.00 61.69 61.50 1jbv s THR 361 Cb 0.01 -3.53 0.04 0.00 0.01 0.00 0.00 72.50 69.03 1jbv s THR 361 CO 0.23 -0.02 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.38 1jbv s VAL 362 N 1.65 1.22 -0.09 3.82 1.01 -1.26 -0.11 120.40 126.63 1jbv s VAL 362 Ca 0.05 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 1jbv s VAL 362 Cb -0.18 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1jbv s VAL 362 CO 0.08 0.15 0.07 -0.31 0.00 0.00 0.00 175.10 175.08 1jbv s TYR 363 N 1.59 3.36 -0.21 5.22 4.12 0.24 -4.79 117.35 126.87 1jbv s TYR 363 Ca 0.00 0.34 -0.02 0.00 0.02 0.00 0.00 57.07 57.41 1jbv s TYR 363 Cb -0.15 -1.85 0.00 0.00 -1.52 0.00 0.00 41.96 38.44 1jbv s TYR 363 CO -0.08 0.59 -0.09 -0.51 0.02 0.00 0.00 175.55 175.48 1jbv s LEU 364 N -1.02 2.67 0.24 -1.29 1.43 -0.31 0.02 118.68 120.43 1jbv s LEU 364 Ca 0.15 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1jbv s LEU 364 Cb -0.12 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 1jbv s LEU 364 CO 0.04 -0.02 -0.01 0.68 0.23 0.00 0.00 176.35 177.28 1jbv s VAL 365 N 1.42 1.10 0.58 -1.59 -7.23 -0.65 -1.64 120.40 112.39 1jbv s VAL 365 Ca 0.05 -2.04 -0.15 0.00 -1.81 0.00 0.00 61.98 58.03 1jbv s VAL 365 Cb -0.14 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1jbv s VAL 365 CO -0.06 -0.31 1.03 -2.16 -0.31 0.00 0.00 175.10 173.29 1jbv s PRO 366 N -3.85 3.50 -0.32 4.82 0.04 -1.26 -4.01 135.00 133.91 1jbv s PRO 366 Ca 0.29 1.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.09 1jbv s PRO 366 Cb 0.06 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.55 1jbv s PRO 366 CO 0.09 -0.65 1.11 0.08 0.04 0.00 0.00 177.00 177.66 1jbv s VAL 367 N -2.66 4.45 0.09 -0.36 1.01 -1.26 -4.73 120.40 116.94 1jbv s VAL 367 Ca 0.61 1.67 -0.07 0.00 0.00 0.00 0.00 61.98 64.18 1jbv s VAL 367 Cb -0.13 -4.39 0.10 0.00 0.00 0.00 0.00 36.38 31.95 1jbv s VAL 367 CO 0.39 -0.50 0.60 -2.65 0.00 0.00 0.00 175.10 172.94 1jbv n PRO 368 N 6.96 -0.09 -2.07 2.72 -0.02 -1.26 -1.82 135.00 139.41 1jbv n PRO 368 Ca 0.12 0.60 -0.37 0.00 -2.02 0.00 0.00 63.50 61.83 1jbv n PRO 368 Cb 0.47 -0.89 0.03 0.00 -0.02 0.00 0.00 33.50 33.09 1jbv n PRO 368 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jbv n GLY 369 N -1.19 5.65 3.21 -1.23 0.00 -1.26 -4.97 105.19 105.40 1jbv n GLY 369 Ca 0.04 -2.56 -0.09 0.00 0.00 0.00 0.00 46.02 43.42 1jbv n GLY 369 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jbv s THR 370 N -5.18 0.14 0.12 2.61 -1.32 -0.76 -5.14 115.64 106.11 1jbv s THR 370 Ca 0.51 -1.26 -0.30 0.00 -1.21 0.00 0.00 61.69 59.43 1jbv s THR 370 Cb 0.43 -1.40 -0.07 0.00 -1.51 0.00 0.00 72.50 69.95 1jbv s THR 370 CO -0.36 -0.65 1.17 -2.84 -2.21 0.00 0.00 174.62 169.73 1jbv s PRO 371 N -3.88 4.49 0.05 7.08 0.02 -1.26 -4.84 135.00 136.66 1jbv s PRO 371 Ca 0.06 1.77 -0.31 0.00 0.02 0.00 0.00 61.00 62.55 1jbv s PRO 371 Cb 0.05 -3.31 -0.06 0.00 0.02 0.00 0.00 34.50 31.21 1jbv s PRO 371 CO -0.10 -0.12 1.30 -0.98 -0.33 0.00 0.00 177.00 176.76 1jbv s ARG 372 N 0.38 4.36 0.11 5.54 3.03 -1.26 -4.98 118.95 126.12 1jbv s ARG 372 Ca 0.55 1.89 0.07 0.00 2.03 0.00 0.00 55.73 60.27 1jbv s ARG 372 Cb -0.30 -3.40 -0.04 0.00 -1.03 0.00 0.00 34.95 30.18 1jbv s ARG 372 CO 0.32 -0.40 -0.11 0.00 -1.13 0.00 0.00 175.30 173.98 1jbv s ALA 373 N 1.53 2.93 0.37 7.88 0.00 -1.26 -5.11 121.76 128.10 1jbv s ALA 373 Ca 0.61 -1.27 -0.28 0.00 0.00 0.00 0.00 51.96 51.03 1jbv s ALA 373 Cb -0.31 -0.86 -0.10 0.00 0.00 0.00 0.00 23.12 21.84 1jbv s ALA 373 CO 0.28 0.63 1.37 -0.51 0.00 0.00 0.00 175.76 177.53 1jbv s LEU 374 N -2.23 4.33 0.12 0.00 1.43 -1.26 -4.97 118.68 116.10 1jbv s LEU 374 Ca 0.21 2.81 -0.31 0.00 -1.03 0.00 0.00 54.13 55.82 1jbv s LEU 374 Cb -0.11 -3.72 -0.07 0.00 0.03 0.00 0.00 46.19 42.31 1jbv s LEU 374 CO 0.13 -0.74 1.30 -2.16 0.23 0.00 0.00 176.35 175.11 1jbv s PRO 375 N -2.02 4.38 -0.05 1.29 0.04 -1.26 -4.99 135.00 132.40 1jbv s PRO 375 Ca 0.52 1.97 -0.30 0.00 0.04 0.00 0.00 61.00 63.23 1jbv s PRO 375 Cb -0.42 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 30.83 1jbv s PRO 375 CO 0.56 -0.31 1.18 -1.83 0.04 0.00 0.00 177.00 176.63 1jbv s GLU 376 N 0.72 4.37 -0.76 4.56 1.03 -1.26 -5.37 118.70 121.98 1jbv s GLU 376 Ca 0.60 1.66 -0.25 0.00 0.03 0.00 0.00 54.97 57.01 1jbv s GLU 376 Cb -0.34 -3.54 -0.16 0.00 -0.80 0.00 0.00 34.13 29.28 1jbv s GLU 376 CO 0.32 -0.42 2.45 0.00 -1.33 0.00 0.00 175.26 176.29 1jbv n ALA 377 N 5.06 0.61 0.00 -0.84 0.00 -1.26 -5.29 120.51 118.79 1jbv n ALA 377 Ca 0.11 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1jbv n ALA 377 Cb 0.46 -2.86 0.00 0.00 0.00 0.00 0.00 19.45 17.05 1jbv n ALA 377 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1jbv n ARG 386 N 8.32 0.00 -3.98 0.00 0.63 -1.26 -5.34 116.66 115.02 1jbv n ARG 386 Ca 0.51 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 57.09 1jbv n ARG 386 Cb 0.33 -1.25 -0.11 0.00 0.45 0.00 0.00 32.46 31.88 1jbv n ARG 386 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1jbv s LEU 387 N 0.00 3.68 0.24 6.15 1.43 -1.26 -1.16 118.68 127.76 1jbv s LEU 387 Ca 0.00 -0.01 0.11 0.00 -1.03 0.00 0.00 54.13 53.21 1jbv s LEU 387 Cb 0.00 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 1jbv s LEU 387 CO 0.00 0.12 -0.19 -0.54 0.23 0.00 0.00 176.35 175.97 1jbv s LYS 388 N 0.69 1.71 0.09 1.70 -0.14 -0.65 -4.93 119.74 118.21 1jbv s LYS 388 Ca 0.03 -1.60 0.27 0.00 -1.36 0.00 0.00 55.97 53.31 1jbv s LYS 388 Cb -0.13 -1.87 0.96 0.00 -1.68 0.00 0.00 37.83 35.11 1jbv s LYS 388 CO 0.02 0.37 1.80 -0.25 -0.76 0.00 0.00 175.35 176.53 1jbv n ASP 389 N -0.26 0.41 -3.50 2.83 8.00 -1.26 -4.27 116.55 118.50 1jbv n ASP 389 Ca -0.08 0.47 -0.10 0.00 0.71 0.00 0.00 54.79 55.78 1jbv n ASP 389 Cb 0.58 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 1jbv n ASP 389 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1jbv s SER 390 N -3.71 -0.43 0.30 -2.24 1.04 -1.26 -4.49 113.70 102.91 1jbv s SER 390 Ca 0.12 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1jbv s SER 390 Cb 0.16 0.42 0.47 0.00 0.10 0.00 0.00 66.02 67.17 1jbv s SER 390 CO 0.58 -0.64 1.87 4.11 0.98 0.00 0.00 173.24 180.14 1jbv h TRP 391 N 2.17 0.81 -0.80 5.02 5.08 -1.91 -1.95 115.95 124.37 1jbv h TRP 391 Ca -0.24 -0.06 -0.00 0.00 1.08 0.00 0.00 58.89 59.67 1jbv h TRP 391 Cb 1.23 -0.24 -0.04 0.00 -3.00 0.00 0.00 29.16 27.11 1jbv h TRP 391 CO 0.27 0.65 0.49 1.96 -1.28 0.00 0.00 178.44 180.53 1jbv h GLN 392 N 0.78 1.09 -0.47 0.12 7.50 -1.98 0.26 115.11 122.40 1jbv h GLN 392 Ca 0.18 -0.09 -0.05 0.00 0.50 0.00 0.00 58.65 59.18 1jbv h GLN 392 Cb 0.22 -0.23 -0.02 0.00 0.05 0.00 0.00 27.48 27.50 1jbv h GLN 392 CO -0.01 0.76 0.08 1.49 -1.50 0.00 0.00 178.83 179.66 1jbv h GLU 393 N 1.10 0.78 -0.35 1.46 4.81 -1.86 -0.80 114.58 119.72 1jbv h GLU 393 Ca 0.29 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1jbv h GLU 393 Cb -0.05 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1jbv h GLU 393 CO -0.06 0.78 -0.07 0.00 -0.73 0.00 0.00 179.01 178.94 1jbv h ALA 394 N 0.96 0.48 -0.31 2.92 0.00 -0.96 -1.55 119.26 120.81 1jbv h ALA 394 Ca 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1jbv h ALA 394 Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1jbv h ALA 394 CO 0.01 0.32 0.20 1.25 0.00 0.00 0.00 179.25 181.02 1jbv h LEU 395 N 0.46 0.36 -0.65 0.00 5.85 -0.40 -1.75 115.31 119.18 1jbv h LEU 395 Ca 0.09 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1jbv h LEU 395 Cb 0.57 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1jbv h LEU 395 CO 0.03 0.28 0.43 0.00 -0.34 0.00 0.00 178.44 178.84 1jbv h ALA 396 N 1.10 0.83 0.11 1.25 0.00 -1.05 -1.20 119.26 120.30 1jbv h ALA 396 Ca 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1jbv h ALA 396 Cb -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1jbv h ALA 396 CO -0.02 0.24 -0.05 0.00 0.00 0.00 0.00 179.25 179.41 1jbv h ALA 397 N 1.25 -0.15 -0.39 0.00 0.00 -1.02 -0.77 119.26 118.17 1jbv h ALA 397 Ca 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1jbv h ALA 397 Cb -0.08 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1jbv h ALA 397 CO -0.06 -0.55 0.26 1.03 0.00 0.00 0.00 179.25 179.93 1jbv h SER 398 N -0.23 0.44 -0.29 0.00 0.87 -1.17 0.82 113.55 114.00 1jbv h SER 398 Ca -0.02 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 1jbv h SER 398 Cb 0.18 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1jbv h SER 398 CO 0.03 0.32 0.11 -0.07 -0.53 0.00 0.00 176.83 176.69 1jbv h LEU 399 N 0.53 0.46 -0.02 2.23 3.38 -1.09 0.19 115.31 120.99 1jbv h LEU 399 Ca 0.14 -0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.84 1jbv h LEU 399 Cb -0.06 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 40.59 1jbv h LEU 399 CO -0.03 0.45 -0.84 -1.13 0.09 0.00 0.00 178.44 176.98 1jbv h ASN 400 N 0.51 0.77 0.00 -0.43 -1.24 -0.61 -2.66 115.58 111.92 1jbv h ASN 400 Ca 0.12 -0.73 -0.00 0.00 0.71 0.00 0.00 56.30 56.40 1jbv h ASN 400 Cb 0.15 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 38.97 1jbv h ASN 400 CO -0.01 1.40 -0.00 0.44 -1.29 0.00 0.00 177.43 177.97 1jbv h ASP 401 N 0.22 -0.00 -2.37 1.15 3.32 -0.59 -3.40 116.42 114.74 1jbv h ASP 401 Ca -0.10 -0.72 -0.59 0.00 0.02 0.00 0.00 57.03 55.64 1jbv h ASP 401 Cb 1.51 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.67 1jbv h ASP 401 CO 0.17 0.72 -0.91 1.33 -1.72 0.00 0.00 179.24 178.83 1jbv n VAL 402 N -4.74 -0.24 -0.31 -1.35 0.24 0.66 -4.99 118.33 107.59 1jbv n VAL 402 Ca -0.09 -4.00 0.31 0.00 -2.04 0.00 0.00 64.34 58.52 1jbv n VAL 402 Cb 0.35 -1.87 0.69 0.00 -1.47 0.00 0.00 33.84 31.54 1jbv n VAL 402 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1jbv h PRO 403 N 5.02 0.10 -0.02 7.34 0.13 -1.56 -0.34 132.00 142.67 1jbv h PRO 403 Ca 0.19 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1jbv h PRO 403 Cb 0.85 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1jbv h PRO 403 CO 0.50 0.07 -0.05 -0.25 -0.23 0.00 0.00 178.00 178.03 1jbv n ASP 404 N -4.31 1.97 -4.70 1.44 8.00 -1.26 -4.76 116.55 112.92 1jbv n ASP 404 Ca 0.25 -1.60 -0.42 0.00 0.71 0.00 0.00 54.79 53.73 1jbv n ASP 404 Cb 1.13 0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 42.24 1jbv n ASP 404 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1jbv s GLN 405 N -2.08 4.52 0.54 -1.24 0.74 -0.14 -4.84 119.66 117.15 1jbv s GLN 405 Ca 0.32 1.39 -0.22 0.00 0.05 0.00 0.00 55.36 56.90 1jbv s GLN 405 Cb 0.20 -3.48 -0.05 0.00 1.10 0.00 0.00 33.01 30.78 1jbv s GLN 405 CO 0.36 -0.12 1.38 -2.14 -0.55 0.00 0.00 175.29 174.22 1jbv s PRO 406 N 1.27 3.18 -0.11 1.67 0.02 -1.26 -4.76 135.00 135.01 1jbv s PRO 406 Ca 0.50 2.29 0.02 0.00 0.02 0.00 0.00 61.00 63.84 1jbv s PRO 406 Cb -0.20 -2.30 0.01 0.00 0.02 0.00 0.00 34.50 32.03 1jbv s PRO 406 CO 0.25 -1.18 -0.16 0.42 -0.33 0.00 0.00 177.00 176.00 1jbv s ILE 407 N -1.27 1.54 -0.14 2.83 1.01 -0.11 -0.05 121.20 125.00 1jbv s ILE 407 Ca 0.71 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.67 1jbv s ILE 407 Cb -0.42 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 1jbv s ILE 407 CO 0.50 0.45 -0.11 -0.69 0.00 0.00 0.00 174.94 175.08 1jbv s VAL 408 N 0.94 3.14 -0.16 2.92 1.01 0.36 -1.13 120.40 127.47 1jbv s VAL 408 Ca -0.07 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 1jbv s VAL 408 Cb -0.15 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 1jbv s VAL 408 CO -0.01 0.51 -0.10 -0.63 0.00 0.00 0.00 175.10 174.87 1jbv s ILE 409 N 0.51 3.18 0.09 2.22 1.01 0.20 -0.89 121.20 127.51 1jbv s ILE 409 Ca -0.08 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 1jbv s ILE 409 Cb -0.15 -2.38 0.01 0.00 0.01 0.00 0.00 42.46 39.95 1jbv s ILE 409 CO 0.04 0.49 0.15 1.07 0.00 0.00 0.00 174.94 176.69 1jbv n THR 410 N 3.98 0.00 0.00 2.92 5.66 -0.81 0.22 114.28 126.25 1jbv n THR 410 Ca -0.18 -0.35 0.00 0.00 -3.05 0.00 0.00 64.05 60.47 1jbv n THR 410 Cb 0.52 0.26 0.00 0.00 -1.55 0.00 0.00 70.33 69.55 1jbv n THR 410 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1jbv n GLY 411 N -0.14 2.88 3.17 1.09 0.00 -0.93 -2.00 105.19 109.26 1jbv n GLY 411 Ca -0.01 -0.81 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 1jbv n GLY 411 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jbv s SER 412 N 0.00 1.47 0.23 1.61 1.04 -1.25 -3.73 113.70 113.08 1jbv s SER 412 Ca 0.00 -0.75 0.05 0.00 0.48 0.00 0.00 55.95 55.74 1jbv s SER 412 Cb 0.00 -0.01 0.24 0.00 0.10 0.00 0.00 66.02 66.35 1jbv s SER 412 CO 0.00 -0.21 1.55 0.25 0.98 0.00 0.00 173.24 175.81 1jbv h LEU 413 N 3.80 0.21 -0.66 2.42 6.46 -1.86 -2.24 115.31 123.43 1jbv h LEU 413 Ca -0.38 -0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 57.21 1jbv h LEU 413 Cb 1.19 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 41.03 1jbv h LEU 413 CO 0.49 0.80 0.25 0.22 -0.62 0.00 0.00 178.44 179.58 1jbv h TYR 414 N 0.13 1.02 -0.16 1.25 3.20 -1.95 0.16 116.97 120.62 1jbv h TYR 414 Ca -0.01 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.74 1jbv h TYR 414 Cb 1.15 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 39.12 1jbv h TYR 414 CO 0.02 0.80 -0.06 1.25 -1.64 0.00 0.00 178.16 178.53 1jbv h LEU 415 N 0.94 0.33 -0.38 2.82 5.85 -1.92 -1.22 115.31 121.71 1jbv h LEU 415 Ca 0.22 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.61 1jbv h LEU 415 Cb 0.22 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 1jbv h LEU 415 CO -0.02 0.65 0.05 0.00 -0.34 0.00 0.00 178.44 178.78 1jbv h ALA 416 N 0.69 0.39 -0.80 1.25 0.00 -1.16 0.19 119.26 119.83 1jbv h ALA 416 Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1jbv h ALA 416 Cb 0.51 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1jbv h ALA 416 CO 0.02 -0.35 0.50 1.03 0.00 0.00 0.00 179.25 180.45 1jbv h SER 417 N 0.16 0.95 -0.57 0.00 0.87 -0.63 -0.26 113.55 114.07 1jbv h SER 417 Ca 0.19 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1jbv h SER 417 Cb 0.24 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1jbv h SER 417 CO -0.27 0.71 0.31 0.00 -0.53 0.00 0.00 176.83 177.05 1jbv h ALA 418 N 1.27 0.73 -0.24 6.23 0.00 -0.20 -1.07 119.26 125.98 1jbv h ALA 418 Ca 0.29 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1jbv h ALA 418 Cb -0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1jbv h ALA 418 CO -0.06 0.26 -0.07 0.28 0.00 0.00 0.00 179.25 179.66 1jbv h VAL 419 N 0.77 1.29 -0.50 0.00 2.07 -0.64 -2.50 116.25 116.73 1jbv h VAL 419 Ca 0.20 -1.10 0.02 0.00 0.82 0.00 0.00 66.70 66.64 1jbv h VAL 419 Cb 0.06 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1jbv h VAL 419 CO -0.03 0.34 0.31 -0.09 0.02 0.00 0.00 177.57 178.12 1jbv h ARG 420 N 0.21 0.59 -0.76 1.57 2.43 -0.91 0.16 114.38 117.68 1jbv h ARG 420 Ca 0.06 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1jbv h ARG 420 Cb 0.55 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.91 1jbv h ARG 420 CO 0.03 0.39 0.45 1.96 -1.51 0.00 0.00 179.97 181.30 1jbv h GLN 421 N 0.61 0.81 0.02 0.20 4.20 -1.17 0.16 115.11 119.95 1jbv h GLN 421 Ca 0.20 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1jbv h GLN 421 Cb 0.01 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.60 1jbv h GLN 421 CO -0.08 0.54 -0.01 1.15 -0.67 0.00 0.00 178.83 179.76 1jbv h THR 422 N 0.84 1.44 -0.00 -0.54 2.02 -0.94 -1.70 112.91 114.03 1jbv h THR 422 Ca 0.33 -1.44 -0.17 0.00 0.77 0.00 0.00 66.41 65.89 1jbv h THR 422 Cb 0.16 2.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 1jbv h THR 422 CO -0.17 0.37 -0.81 -0.07 0.37 0.00 0.00 175.52 175.21 1jbv h LEU 423 N -0.65 0.08 0.00 2.58 3.38 -0.58 -3.31 115.31 116.80 1jbv h LEU 423 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1jbv h LEU 423 Cb 0.62 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1jbv h LEU 423 CO 0.00 0.85 -0.99 0.18 0.09 0.00 0.00 178.44 178.57 1jbv n LEU 424 N -3.62 0.60 0.00 1.67 4.77 0.56 -5.07 117.00 115.91 1jbv n LEU 424 Ca -0.01 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 1jbv n LEU 424 Cb 0.77 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 1jbv n LEU 424 CO 0.45 0.15 0.05 0.61 -1.33 0.00 0.00 177.39 177.32