#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 s HIS 2 N 0.00 2.61 -0.39 1.12 3.76 0.14 -4.32 115.29 118.21 3i55 s HIS 2 Ca 0.00 -0.23 -0.13 0.00 -0.15 0.00 0.00 55.06 54.56 3i55 s HIS 2 Cb 0.00 -1.33 0.02 0.00 1.11 0.00 0.00 32.58 32.39 3i55 s HIS 2 CO 0.00 0.46 0.25 0.00 -0.85 0.00 0.00 174.74 174.60 3i55 s ALA 3 N -1.44 3.37 -0.11 -1.40 0.00 0.25 -0.04 121.76 122.40 3i55 s ALA 3 Ca 0.22 -1.73 -0.16 0.00 0.00 0.00 0.00 51.96 50.29 3i55 s ALA 3 Cb -0.10 -2.74 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 3i55 s ALA 3 CO 0.13 -1.43 0.41 -1.17 0.00 0.00 0.00 175.76 173.70 3i55 s LEU 4 N 1.61 4.30 -0.16 0.00 1.98 0.17 -3.21 118.68 123.37 3i55 s LEU 4 Ca 0.03 0.75 -0.03 0.00 -2.89 0.00 0.00 54.13 52.00 3i55 s LEU 4 Cb -0.19 -2.58 0.05 0.00 0.66 0.00 0.00 46.19 44.13 3i55 s LEU 4 CO 0.08 0.09 0.03 -0.69 -1.89 0.00 0.00 176.35 173.97 3i55 s VAL 5 N 0.25 0.47 -0.03 1.68 1.01 0.31 -1.41 120.40 122.69 3i55 s VAL 5 Ca 0.23 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 3i55 s VAL 5 Cb -0.15 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 3i55 s VAL 5 CO 0.09 -0.09 1.36 -1.58 0.00 0.00 0.00 175.10 174.88 3i55 s GLN 6 N 1.90 4.29 0.00 2.72 0.74 -1.06 -0.08 119.66 128.16 3i55 s GLN 6 Ca 0.01 1.89 0.00 0.00 0.05 0.00 0.00 55.36 57.31 3i55 s GLN 6 Cb -0.16 -3.60 0.00 0.00 1.10 0.00 0.00 33.01 30.35 3i55 s GLN 6 CO -0.07 -0.57 0.35 1.28 -0.55 0.00 0.00 175.29 175.73 3i55 n LEU 7 N 5.49 0.70 -4.21 3.68 4.77 -1.19 0.04 117.00 126.29 3i55 n LEU 7 Ca 0.13 -0.83 -0.27 0.00 -0.03 0.00 0.00 56.01 55.00 3i55 n LEU 7 Cb 0.44 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.38 3i55 n LEU 7 CO 0.58 0.17 -0.52 -0.13 -1.33 0.00 0.00 177.39 176.15 3i55 s ARG 8 N -0.37 1.71 1.27 3.23 0.52 -1.25 -4.94 118.95 119.12 3i55 s ARG 8 Ca 0.00 -0.73 -0.19 0.00 -0.52 0.00 0.00 55.73 54.30 3i55 s ARG 8 Cb 0.00 -1.62 0.29 0.00 0.52 0.00 0.00 34.95 34.14 3i55 s ARG 8 CO 0.01 0.42 0.65 0.41 0.02 0.00 0.00 175.30 176.81 3i55 n GLY 9 N 2.65 -3.15 0.09 -3.53 0.00 -1.26 -4.84 105.19 95.16 3i55 n GLY 9 Ca -0.16 -1.29 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 3i55 n GLY 9 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i55 n GLU 10 N -4.11 0.66 -1.67 1.61 0.28 -1.26 -4.73 120.64 111.42 3i55 n GLU 10 Ca 0.09 0.27 -0.46 0.00 -0.16 0.00 0.00 57.16 56.90 3i55 n GLU 10 Cb 0.51 -1.76 -0.04 0.00 1.43 0.00 0.00 31.44 31.57 3i55 n GLU 10 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3i55 n VAL 11 N -3.13 0.18 -0.52 3.84 0.31 -1.26 -1.59 118.33 116.16 3i55 n VAL 11 Ca -0.21 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 3i55 n VAL 11 Cb 1.06 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 3i55 n VAL 11 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3i55 n ASN 12 N 4.42 0.00 -4.77 4.52 3.02 -1.26 -5.00 115.26 116.19 3i55 n ASN 12 Ca 0.19 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.34 3i55 n ASN 12 Cb 0.29 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 38.95 3i55 n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i55 s MET 13 N -0.13 4.37 0.60 3.52 0.23 -0.62 -4.99 119.30 122.28 3i55 s MET 13 Ca 0.00 0.86 -0.18 0.00 -1.03 0.00 0.00 55.69 55.35 3i55 s MET 13 Cb 0.00 -3.32 -0.14 0.00 -1.53 0.00 0.00 34.83 29.84 3i55 s MET 13 CO 0.00 0.43 -0.17 0.72 -2.03 0.00 0.00 175.02 173.97 3i55 n HIS 14 N 2.40 -3.05 0.00 3.16 8.25 -1.26 -4.75 115.22 119.98 3i55 n HIS 14 Ca -0.06 0.37 -0.18 0.00 -0.26 0.00 0.00 57.72 57.59 3i55 n HIS 14 Cb 0.50 -1.67 -0.09 0.00 1.12 0.00 0.00 29.99 29.85 3i55 n HIS 14 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3i55 h THR 15 N -0.17 1.33 0.00 1.59 2.02 -1.96 -2.56 112.91 113.16 3i55 h THR 15 Ca -0.42 -2.05 -0.01 0.00 0.77 0.00 0.00 66.41 64.69 3i55 h THR 15 Cb 1.42 2.29 -0.00 0.00 -1.74 0.00 0.00 68.15 70.12 3i55 h THR 15 CO 0.39 0.63 -0.07 -2.24 0.37 0.00 0.00 175.52 174.60 3i55 h ASP 16 N 0.26 0.00 0.03 4.18 2.03 -1.99 0.28 116.42 121.21 3i55 h ASP 16 Ca -0.08 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.22 3i55 h ASP 16 Cb 1.43 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.93 3i55 h ASP 16 CO 0.15 0.07 -0.01 0.40 -1.03 0.00 0.00 179.24 178.82 3i55 h ILE 17 N 0.00 0.88 -0.90 4.15 2.04 -1.90 -2.90 117.51 118.88 3i55 h ILE 17 Ca -0.00 -1.59 0.14 0.00 1.00 0.00 0.00 64.86 64.41 3i55 h ILE 17 Cb 0.24 1.64 -0.07 0.00 -0.74 0.00 0.00 36.82 37.89 3i55 h ILE 17 CO 0.01 0.29 0.58 -0.61 0.00 0.00 0.00 178.15 178.42 3i55 h GLN 18 N -0.98 0.70 -0.57 2.37 4.15 -1.10 0.31 115.11 120.00 3i55 h GLN 18 Ca -0.00 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 3i55 h GLN 18 Cb 0.50 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 3i55 h GLN 18 CO 0.01 0.46 0.18 -0.44 -1.93 0.00 0.00 178.83 177.11 3i55 h ASP 19 N 0.72 0.79 -0.16 -0.69 3.32 -0.53 -1.56 116.42 118.31 3i55 h ASP 19 Ca 0.45 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 3i55 h ASP 19 Cb 0.69 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3i55 h ASP 19 CO -0.21 0.74 0.06 0.74 -1.72 0.00 0.00 179.24 178.85 3i55 h THR 20 N 0.83 1.16 -0.04 0.35 2.02 -0.21 -1.10 112.91 115.92 3i55 h THR 20 Ca 0.19 -0.50 0.03 0.00 0.77 0.00 0.00 66.41 66.90 3i55 h THR 20 Cb 0.24 1.19 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 3i55 h THR 20 CO -0.01 0.16 -0.23 -0.07 0.37 0.00 0.00 175.52 175.73 3i55 h LEU 21 N 0.10 -0.70 -1.90 2.58 3.38 -0.82 0.15 115.31 118.10 3i55 h LEU 21 Ca 0.05 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.19 3i55 h LEU 21 Cb 0.19 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3i55 h LEU 21 CO -0.00 -0.30 0.20 -0.33 0.09 0.00 0.00 178.44 178.10 3i55 h GLU 22 N -0.35 0.12 -0.65 1.13 5.08 -1.18 0.26 114.58 118.99 3i55 h GLU 22 Ca 0.07 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 3i55 h GLU 22 Cb 0.45 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3i55 h GLU 22 CO -0.23 0.08 0.06 0.52 -1.00 0.00 0.00 179.01 178.43 3i55 h MET 23 N 0.12 1.11 -1.73 2.33 2.86 0.52 -1.63 114.93 118.50 3i55 h MET 23 Ca 0.13 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 3i55 h MET 23 Cb 0.38 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 3i55 h MET 23 CO -0.02 1.04 0.03 1.28 1.06 0.00 0.00 176.91 180.30 3i55 n LEU 24 N -4.19 4.85 -2.37 1.22 4.77 0.86 -4.79 117.00 117.35 3i55 n LEU 24 Ca 0.04 -2.25 -0.04 0.00 -0.03 0.00 0.00 56.01 53.74 3i55 n LEU 24 Cb 0.32 -0.97 -0.00 0.00 -2.33 0.00 0.00 43.42 40.44 3i55 n LEU 24 CO 0.44 0.90 -0.05 0.59 -1.33 0.00 0.00 177.39 177.94 3i55 n ASN 25 N 1.18 -1.79 -4.11 -1.43 3.02 -0.61 -4.85 115.26 106.67 3i55 n ASN 25 Ca 0.02 0.38 -0.33 0.00 -0.03 0.00 0.00 54.58 54.62 3i55 n ASN 25 Cb 0.51 -1.65 -0.15 0.00 -0.61 0.00 0.00 39.78 37.88 3i55 n ASN 25 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3i55 s ILE 26 N -2.11 2.31 -0.43 2.41 2.07 -0.93 -4.46 121.20 120.06 3i55 s ILE 26 Ca 0.00 -1.37 0.12 0.00 -1.41 0.00 0.00 60.65 57.99 3i55 s ILE 26 Cb 0.00 -2.25 -0.15 0.00 0.13 0.00 0.00 42.46 40.19 3i55 s ILE 26 CO 0.00 0.12 0.46 1.41 -1.91 0.00 0.00 174.94 175.02 3i55 n HIS 27 N 4.52 0.00 -4.22 3.50 8.25 -1.26 -3.41 115.22 122.60 3i55 n HIS 27 Ca -0.16 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.18 3i55 n HIS 27 Cb 0.45 -0.08 -0.10 0.00 1.12 0.00 0.00 29.99 31.37 3i55 n HIS 27 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3i55 s HIS 28 N -2.37 1.11 0.41 4.41 3.76 -1.26 -5.06 115.29 116.28 3i55 s HIS 28 Ca 0.02 -0.97 -0.26 0.00 -0.15 0.00 0.00 55.06 53.69 3i55 s HIS 28 Cb 0.09 -0.63 -0.09 0.00 1.11 0.00 0.00 32.58 33.06 3i55 s HIS 28 CO 0.52 -0.18 1.40 0.08 -0.85 0.00 0.00 174.74 175.71 3i55 s VAL 29 N -3.63 2.27 0.00 -0.90 1.01 -1.26 -1.65 120.40 116.23 3i55 s VAL 29 Ca 0.20 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3i55 s VAL 29 Cb 0.06 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.29 3i55 s VAL 29 CO 0.01 0.04 0.00 0.59 0.00 0.00 0.00 175.10 175.74 3i55 n ASN 30 N 0.15 0.00 -4.80 3.32 3.02 0.11 -5.00 115.26 112.05 3i55 n ASN 30 Ca 0.03 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.23 3i55 n ASN 30 Cb 0.42 -0.17 -0.07 0.00 -0.61 0.00 0.00 39.78 39.35 3i55 n ASN 30 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3i55 s HIS 31 N -3.64 3.51 0.05 3.10 3.76 -0.66 -2.92 115.29 118.49 3i55 s HIS 31 Ca 0.00 1.69 0.05 0.00 -0.15 0.00 0.00 55.06 56.65 3i55 s HIS 31 Cb 0.00 -2.88 -0.03 0.00 1.11 0.00 0.00 32.58 30.79 3i55 s HIS 31 CO 0.00 0.06 -0.15 0.00 -0.85 0.00 0.00 174.74 173.80 3i55 s THR 33 N -1.03 0.37 -0.41 0.00 -1.32 -0.50 0.89 115.64 113.64 3i55 s THR 33 Ca 0.01 -1.30 -0.09 0.00 -1.21 0.00 0.00 61.69 59.09 3i55 s THR 33 Cb -0.09 -0.85 0.07 0.00 -1.51 0.00 0.00 72.50 70.12 3i55 s THR 33 CO 0.02 -0.62 0.24 -0.76 -2.21 0.00 0.00 174.62 171.29 3i55 s LEU 34 N -2.03 5.02 -0.12 9.08 1.43 -1.26 0.44 118.68 131.24 3i55 s LEU 34 Ca -0.05 -1.40 -0.03 0.00 -1.03 0.00 0.00 54.13 51.63 3i55 s LEU 34 Cb -0.04 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 3i55 s LEU 34 CO -0.03 -0.50 -0.02 0.54 0.23 0.00 0.00 176.35 176.58 3i55 s VAL 35 N 1.44 4.11 0.00 -1.59 0.11 0.95 -4.91 120.40 120.52 3i55 s VAL 35 Ca 0.02 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 3i55 s VAL 35 Cb -0.22 -2.76 0.00 0.00 -1.53 0.00 0.00 36.38 31.87 3i55 s VAL 35 CO 0.03 0.55 0.00 -2.65 -3.33 0.00 0.00 175.10 169.70 3i55 n PRO 36 N 2.76 1.74 -3.16 1.54 -0.02 -1.26 0.28 135.00 136.88 3i55 n PRO 36 Ca -0.18 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.14 3i55 n PRO 36 Cb 0.53 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.96 3i55 n PRO 36 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3i55 s GLU 37 N 0.00 0.90 0.48 -0.52 2.02 -1.26 -4.13 118.70 116.19 3i55 s GLU 37 Ca 0.00 -1.40 0.01 0.00 0.02 0.00 0.00 54.97 53.59 3i55 s GLU 37 Cb 0.00 -0.73 -0.00 0.00 0.10 0.00 0.00 34.13 33.50 3i55 s GLU 37 CO 0.00 -1.32 0.02 0.25 0.02 0.00 0.00 175.26 174.23 3i55 n THR 38 N 3.25 0.00 -0.09 3.63 -2.24 -1.26 -4.97 114.28 112.59 3i55 n THR 38 Ca 0.21 -2.32 -0.11 0.00 -2.27 0.00 0.00 64.05 59.56 3i55 n THR 38 Cb 0.50 0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 69.21 3i55 n THR 38 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3i55 h ASP 39 N 1.24 0.43 0.07 3.42 3.32 -2.00 -0.68 116.42 122.23 3i55 h ASP 39 Ca -0.40 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 56.40 3i55 h ASP 39 Cb 1.23 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 3i55 h ASP 39 CO 0.65 0.59 -0.14 0.00 -1.72 0.00 0.00 179.24 178.62 3i55 h ALA 40 N 0.85 -0.23 0.00 3.45 0.00 -2.00 -1.13 119.26 120.21 3i55 h ALA 40 Ca 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3i55 h ALA 40 Cb 0.35 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3i55 h ALA 40 CO 0.01 -0.66 -0.10 1.88 0.00 0.00 0.00 179.25 180.38 3i55 h TYR 41 N -0.28 0.00 0.21 0.00 0.99 -1.92 -2.76 116.97 113.21 3i55 h TYR 41 Ca 0.03 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 3i55 h TYR 41 Cb 0.30 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.03 3i55 h TYR 41 CO -0.16 0.10 -0.10 0.00 -0.00 0.00 0.00 178.16 178.00 3i55 h ARG 42 N 0.00 -0.27 -0.95 4.88 3.08 -0.26 -2.86 114.38 118.00 3i55 h ARG 42 Ca -0.00 0.02 0.27 0.00 0.07 0.00 0.00 59.98 60.33 3i55 h ARG 42 Cb 0.30 0.06 -0.14 0.00 0.08 0.00 0.00 29.97 30.27 3i55 h ARG 42 CO 0.01 0.12 0.46 0.78 -1.07 0.00 0.00 179.97 180.28 3i55 h GLY 43 N -0.82 1.76 0.70 0.04 0.00 -0.96 -0.65 103.07 103.15 3i55 h GLY 43 Ca -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 3i55 h GLY 43 CO 0.05 -0.37 -0.19 -0.33 0.00 0.00 0.00 176.54 175.70 3i55 h MET 44 N 0.36 -0.50 -0.94 4.80 2.86 -1.49 -2.35 114.93 117.68 3i55 h MET 44 Ca 0.64 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 58.36 3i55 h MET 44 Cb 1.33 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 33.04 3i55 h MET 44 CO -0.58 -0.20 0.61 -0.39 1.06 0.00 0.00 176.91 177.42 3i55 h VAL 45 N -0.83 1.13 -0.73 -2.22 -1.51 -1.17 -1.33 116.25 109.59 3i55 h VAL 45 Ca -0.05 -0.39 0.10 0.00 -1.23 0.00 0.00 66.70 65.12 3i55 h VAL 45 Cb 0.54 -0.11 -0.07 0.00 -2.13 0.00 0.00 31.29 29.51 3i55 h VAL 45 CO 0.09 0.21 0.36 0.00 -1.23 0.00 0.00 177.57 177.00 3i55 h ALA 46 N 1.47 1.01 0.00 5.19 0.00 -1.09 0.42 119.26 126.26 3i55 h ALA 46 Ca 0.38 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 3i55 h ALA 46 Cb 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3i55 h ALA 46 CO -0.13 -0.05 -0.24 -0.22 0.00 0.00 0.00 179.25 178.61 3i55 h LYS 47 N 0.60 0.00 -0.02 0.00 3.64 -0.70 -2.67 116.57 117.43 3i55 h LYS 47 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3i55 h LYS 47 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3i55 h LYS 47 CO -0.28 0.24 -0.43 0.28 -2.27 0.00 0.00 179.45 176.98 3i55 n VAL 48 N -3.61 0.00 -0.37 2.00 0.31 -0.22 -4.68 118.33 111.77 3i55 n VAL 48 Ca -0.01 -0.27 0.29 0.00 -0.01 0.00 0.00 64.34 64.34 3i55 n VAL 48 Cb 0.37 1.23 0.45 0.00 -0.91 0.00 0.00 33.84 34.99 3i55 n VAL 48 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3i55 n ASN 49 N 0.05 0.03 0.04 4.52 2.85 0.13 -0.71 115.26 122.18 3i55 n ASN 49 Ca 0.10 0.64 0.11 0.00 -0.11 0.00 0.00 54.58 55.32 3i55 n ASN 49 Cb 0.47 -0.32 0.04 0.00 1.24 0.00 0.00 39.78 41.22 3i55 n ASN 49 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 3i55 n ASP 50 N -3.31 0.63 -2.03 1.20 8.00 -1.26 -3.07 116.55 116.71 3i55 n ASP 50 Ca 0.25 -0.09 -0.24 0.00 0.71 0.00 0.00 54.79 55.43 3i55 n ASP 50 Cb 1.09 0.69 0.02 0.00 -0.02 0.00 0.00 41.12 42.90 3i55 n ASP 50 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3i55 n PHE 51 N -2.07 2.73 -3.87 1.24 3.01 0.11 -4.88 117.46 113.73 3i55 n PHE 51 Ca 0.02 -2.22 -0.08 0.00 1.01 0.00 0.00 57.45 56.18 3i55 n PHE 51 Cb 0.45 -0.34 -0.03 0.00 -0.01 0.00 0.00 39.48 39.56 3i55 n PHE 51 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3i55 s VAL 52 N -4.59 0.00 -0.08 -4.37 0.11 -1.24 -3.13 120.40 107.09 3i55 s VAL 52 Ca 0.51 -1.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.51 3i55 s VAL 52 Cb 0.41 -2.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.28 3i55 s VAL 52 CO 0.04 -0.00 -0.07 0.00 -3.33 0.00 0.00 175.10 171.74 3i55 s ALA 53 N -3.93 1.09 0.17 1.54 0.00 0.89 -1.25 121.76 120.26 3i55 s ALA 53 Ca 0.13 -0.36 -0.05 0.00 0.00 0.00 0.00 51.96 51.68 3i55 s ALA 53 Cb -0.05 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 3i55 s ALA 53 CO 0.07 -0.25 0.19 -0.59 0.00 0.00 0.00 175.76 175.17 3i55 s PHE 54 N 1.42 0.75 0.00 0.00 -0.12 -0.68 -0.53 117.98 118.82 3i55 s PHE 54 Ca -0.02 -1.08 0.00 0.00 -0.05 0.00 0.00 56.93 55.78 3i55 s PHE 54 Cb -0.13 -0.31 0.00 0.00 -0.63 0.00 0.00 43.02 41.95 3i55 s PHE 54 CO -0.04 -0.66 0.00 0.41 -0.05 0.00 0.00 175.22 174.88 3i55 n GLY 55 N -0.21 0.08 3.66 1.99 0.00 -1.20 0.60 105.19 110.11 3i55 n GLY 55 Ca -0.04 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.27 3i55 n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i55 s GLU 56 N -1.92 4.12 0.57 1.61 2.12 -1.26 0.86 118.70 124.80 3i55 s GLU 56 Ca 0.00 0.07 -0.11 0.00 0.36 0.00 0.00 54.97 55.29 3i55 s GLU 56 Cb 0.00 -3.56 -0.05 0.00 0.26 0.00 0.00 34.13 30.78 3i55 s GLU 56 CO 0.00 -0.06 0.97 -1.25 -0.54 0.00 0.00 175.26 174.38 3i55 s PRO 57 N 1.40 3.65 0.24 4.30 0.04 -1.26 -4.35 135.00 139.03 3i55 s PRO 57 Ca 0.16 0.68 -0.30 0.00 0.04 0.00 0.00 61.00 61.58 3i55 s PRO 57 Cb -0.15 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 3i55 s PRO 57 CO 0.08 -0.44 0.98 -1.54 0.04 0.00 0.00 177.00 176.12 3i55 s SER 58 N -3.95 7.54 0.34 6.66 1.04 -1.26 -4.83 113.70 119.24 3i55 s SER 58 Ca 0.54 2.03 0.15 0.00 0.48 0.00 0.00 55.95 59.14 3i55 s SER 58 Cb -0.11 -2.61 1.12 0.00 0.10 0.00 0.00 66.02 64.52 3i55 s SER 58 CO 0.48 0.07 1.63 -0.61 0.98 0.00 0.00 173.24 175.79 3i55 h GLN 59 N 4.15 0.19 0.03 4.02 5.75 -1.96 0.15 115.11 127.44 3i55 h GLN 59 Ca -0.45 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.04 3i55 h GLN 59 Cb 1.20 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.71 3i55 h GLN 59 CO 0.68 0.13 -0.05 0.93 -2.65 0.00 0.00 178.83 177.87 3i55 h GLU 60 N 0.19 -0.08 -0.18 1.69 5.08 -2.00 -2.32 114.58 116.97 3i55 h GLU 60 Ca 0.75 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 59.16 3i55 h GLU 60 Cb 1.78 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.98 3i55 h GLU 60 CO -0.68 -0.05 -0.28 1.15 -1.00 0.00 0.00 179.01 178.15 3i55 h THR 61 N -0.08 0.35 -1.33 1.13 2.02 -1.50 0.79 112.91 114.29 3i55 h THR 61 Ca -0.00 0.00 0.40 0.00 0.77 0.00 0.00 66.41 67.58 3i55 h THR 61 Cb 0.07 0.35 -0.10 0.00 -1.74 0.00 0.00 68.15 66.73 3i55 h THR 61 CO -0.01 0.00 0.89 0.25 0.37 0.00 0.00 175.52 177.02 3i55 h LEU 62 N -0.32 0.22 0.12 2.58 5.85 -0.76 0.64 115.31 123.63 3i55 h LEU 62 Ca 0.11 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3i55 h LEU 62 Cb 0.50 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3i55 h LEU 62 CO -0.36 -0.08 -0.06 -0.33 -0.34 0.00 0.00 178.44 177.28 3i55 h GLU 63 N 0.13 -0.16 -0.90 1.25 5.08 -0.29 -1.59 114.58 118.10 3i55 h GLU 63 Ca 0.75 0.01 0.24 0.00 -1.00 0.00 0.00 59.36 59.36 3i55 h GLU 63 Cb 2.47 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 31.62 3i55 h GLU 63 CO -0.28 0.33 0.36 1.15 -1.00 0.00 0.00 179.01 179.56 3i55 h THR 64 N -0.80 0.39 0.44 1.13 2.02 0.11 0.15 112.91 116.36 3i55 h THR 64 Ca -0.02 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 3i55 h THR 64 Cb 0.55 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3i55 h THR 64 CO 0.03 0.06 -0.21 0.58 0.37 0.00 0.00 175.52 176.34 3i55 h VAL 65 N 0.32 0.00 -0.95 3.16 2.07 -0.94 -2.61 116.25 117.30 3i55 h VAL 65 Ca 0.58 -0.39 0.29 0.00 0.82 0.00 0.00 66.70 68.00 3i55 h VAL 65 Cb 1.15 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.76 3i55 h VAL 65 CO -0.58 0.00 0.27 -0.07 0.02 0.00 0.00 177.57 177.20 3i55 h LEU 66 N -0.98 -0.03 0.37 2.57 3.38 -0.51 0.96 115.31 121.07 3i55 h LEU 66 Ca -0.06 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3i55 h LEU 66 Cb 0.45 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3i55 h LEU 66 CO 0.10 -0.28 -0.30 0.00 0.09 0.00 0.00 178.44 178.06 3i55 h ALA 67 N 1.90 -1.05 -0.06 1.53 0.00 -0.75 -1.48 119.26 119.35 3i55 h ALA 67 Ca 0.65 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.34 3i55 h ALA 67 Cb 1.44 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 3i55 h ALA 67 CO -0.76 -1.05 -0.37 0.00 0.00 0.00 0.00 179.25 177.07 3i55 h THR 68 N -0.65 1.28 0.00 0.00 1.03 -0.47 -3.39 112.91 110.72 3i55 h THR 68 Ca -0.05 -1.37 0.00 0.00 -0.01 0.00 0.00 66.41 64.99 3i55 h THR 68 Cb 0.54 1.66 0.00 0.00 -1.07 0.00 0.00 68.15 69.28 3i55 h THR 68 CO 0.01 0.40 0.00 0.54 -0.01 0.00 0.00 175.52 176.46 3i55 n ARG 69 N -4.07 0.48 -2.74 0.00 5.12 0.31 -5.05 116.66 110.71 3i55 n ARG 69 Ca -0.02 -0.71 -0.33 0.00 -1.93 0.00 0.00 57.85 54.87 3i55 n ARG 69 Cb 0.43 -0.85 -0.06 0.00 -1.16 0.00 0.00 32.46 30.82 3i55 n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i55 s ALA 70 N -0.30 3.02 0.10 7.54 0.00 -0.56 -4.10 121.76 127.47 3i55 s ALA 70 Ca 0.00 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.38 3i55 s ALA 70 Cb 0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 3i55 s ALA 70 CO 0.00 0.03 -0.05 -1.21 0.00 0.00 0.00 175.76 174.53 3i55 s GLU 71 N -3.28 0.85 0.00 0.00 2.02 -1.26 -4.14 118.70 112.89 3i55 s GLU 71 Ca 0.62 -1.35 0.00 0.00 0.02 0.00 0.00 54.97 54.26 3i55 s GLU 71 Cb -0.10 -0.15 0.00 0.00 0.10 0.00 0.00 34.13 33.97 3i55 s GLU 71 CO 0.16 -0.05 0.00 -2.30 0.02 0.00 0.00 175.26 173.09 3i55 n PRO 72 N -0.05 1.85 -0.01 0.39 -0.02 -1.26 -1.31 135.00 134.59 3i55 n PRO 72 Ca -0.11 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.47 3i55 n PRO 72 Cb 0.61 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.95 3i55 n PRO 72 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3i55 n LEU 73 N 0.00 0.29 -3.57 2.45 7.94 -0.01 0.16 117.00 124.26 3i55 n LEU 73 Ca 0.00 -0.15 -0.01 0.00 -1.11 0.00 0.00 56.01 54.74 3i55 n LEU 73 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 3i55 n LEU 73 CO 0.00 0.07 0.23 -1.61 -1.11 0.00 0.00 177.39 174.97 3i55 s GLU 74 N -3.27 0.57 0.00 1.96 2.02 -1.26 -4.86 118.70 113.85 3i55 s GLU 74 Ca -0.03 1.36 0.00 0.00 0.02 0.00 0.00 54.97 56.32 3i55 s GLU 74 Cb 0.14 0.80 0.00 0.00 0.10 0.00 0.00 34.13 35.17 3i55 s GLU 74 CO 0.85 -0.27 0.00 0.41 0.02 0.00 0.00 175.26 176.26 3i55 n GLY 75 N 5.44 2.59 0.04 -1.39 0.00 -1.26 -4.87 105.19 105.73 3i55 n GLY 75 Ca -0.10 -1.93 0.11 0.00 0.00 0.00 0.00 46.02 44.10 3i55 n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i55 n ASP 76 N 0.00 0.42 -3.96 1.61 8.00 -1.26 -4.52 116.55 116.85 3i55 n ASP 76 Ca 0.00 -0.09 -0.54 0.00 0.71 0.00 0.00 54.79 54.87 3i55 n ASP 76 Cb 0.00 1.28 -0.08 0.00 -0.02 0.00 0.00 41.12 42.31 3i55 n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i55 n ALA 77 N -2.06 -2.38 -1.87 2.24 0.00 -1.26 -4.85 120.51 110.34 3i55 n ALA 77 Ca -0.01 0.48 -0.41 0.00 0.00 0.00 0.00 53.44 53.51 3i55 n ALA 77 Cb 0.51 -1.57 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 3i55 n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i55 s ASP 78 N 1.06 7.23 -0.64 0.00 -0.00 -1.26 -4.37 116.67 118.68 3i55 s ASP 78 Ca 0.83 2.24 -0.20 0.00 -0.00 0.00 0.00 52.55 55.42 3i55 s ASP 78 Cb -1.17 -2.62 0.09 0.00 -0.00 0.00 0.00 42.92 39.22 3i55 s ASP 78 CO 0.58 -0.20 0.85 -0.69 -0.00 0.00 0.00 175.17 175.70 3i55 s VAL 79 N -0.80 4.60 0.24 -1.27 1.01 -1.26 -4.74 120.40 118.18 3i55 s VAL 79 Ca 0.47 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.78 3i55 s VAL 79 Cb -0.32 -4.60 -0.05 0.00 0.00 0.00 0.00 36.38 31.42 3i55 s VAL 79 CO 0.39 -1.30 -0.14 1.51 0.00 0.00 0.00 175.10 175.57 3i55 s ASP 80 N 3.64 2.85 0.12 3.32 1.47 -1.26 -4.53 116.67 122.28 3i55 s ASP 80 Ca 0.17 -1.06 -0.14 0.00 1.18 0.00 0.00 52.55 52.71 3i55 s ASP 80 Cb -0.20 -0.18 0.06 0.00 -0.34 0.00 0.00 42.92 42.26 3i55 s ASP 80 CO 0.07 -0.16 0.90 0.47 0.68 0.00 0.00 175.17 177.14 3i55 n ASP 81 N -0.48 -0.49 0.07 2.11 8.00 -1.26 0.98 116.55 125.49 3i55 n ASP 81 Ca -0.07 1.03 -0.15 0.00 0.71 0.00 0.00 54.79 56.31 3i55 n ASP 81 Cb 0.61 -0.19 -0.09 0.00 -0.02 0.00 0.00 41.12 41.43 3i55 n ASP 81 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3i55 h GLU 82 N 0.00 -0.62 -0.18 -1.24 4.81 -1.96 1.06 114.58 116.44 3i55 h GLU 82 Ca 0.15 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.47 3i55 h GLU 82 Cb 0.30 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.75 3i55 h GLU 82 CO -0.57 -0.41 -0.46 2.35 -0.73 0.00 0.00 179.01 179.19 3i55 h TRP 83 N -0.65 -1.33 -0.58 0.92 7.01 0.33 0.35 115.95 122.00 3i55 h TRP 83 Ca 0.00 0.06 0.09 0.00 2.11 0.00 0.00 58.89 61.14 3i55 h TRP 83 Cb 0.67 0.61 -0.11 0.00 -2.10 0.00 0.00 29.16 28.23 3i55 h TRP 83 CO -0.48 -0.49 -0.44 0.28 -2.79 0.00 0.00 178.44 174.52 3i55 h VAL 84 N -0.49 0.08 -0.73 2.65 2.07 0.14 -1.45 116.25 118.52 3i55 h VAL 84 Ca 0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 3i55 h VAL 84 Cb 0.64 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3i55 h VAL 84 CO -0.44 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.50 3i55 h ALA 85 N 0.58 0.94 0.00 1.67 0.00 0.22 0.65 119.26 123.33 3i55 h ALA 85 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i55 h ALA 85 Cb 0.56 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3i55 h ALA 85 CO -0.69 0.50 0.00 0.39 0.00 0.00 0.00 179.25 179.45 3i55 n GLU 86 N -4.42 0.09 0.00 0.00 1.02 0.11 -3.96 120.64 113.48 3i55 n GLU 86 Ca 0.06 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 3i55 n GLU 86 Cb 0.13 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 3i55 n GLU 86 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3i55 n HIS 87 N -1.87 0.00 -3.23 -0.32 8.25 -0.93 -5.08 115.22 112.04 3i55 n HIS 87 Ca 0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.14 3i55 n HIS 87 Cb 0.15 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 3i55 n HIS 87 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3i55 s THR 88 N -1.51 4.74 -1.48 1.59 2.01 0.23 -4.91 115.64 116.30 3i55 s THR 88 Ca 0.00 0.91 0.00 0.00 0.31 0.00 0.00 61.69 62.91 3i55 s THR 88 Cb 0.00 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.82 3i55 s THR 88 CO 0.00 0.01 0.16 0.47 -0.69 0.00 0.00 174.62 174.58 3i55 n ASP 89 N 0.16 0.11 -3.32 3.53 8.00 -1.26 -4.63 116.55 119.14 3i55 n ASP 89 Ca -0.00 -0.44 -0.14 0.00 0.71 0.00 0.00 54.79 54.92 3i55 n ASP 89 Cb 0.52 -0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 41.55 3i55 n ASP 89 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i55 n TYR 90 N -0.04 -0.49 0.05 1.24 4.02 -1.26 -5.07 117.16 115.61 3i55 n TYR 90 Ca 0.00 -1.14 0.01 0.00 -0.01 0.00 0.00 57.90 56.76 3i55 n TYR 90 Cb 0.03 -0.19 -0.02 0.00 -0.02 0.00 0.00 39.34 39.13 3i55 n TYR 90 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3i55 n ASP 91 N -1.65 2.60 -3.63 7.72 8.00 -1.26 -4.33 116.55 124.00 3i55 n ASP 91 Ca -0.04 -0.23 -0.00 0.00 0.71 0.00 0.00 54.79 55.22 3i55 n ASP 91 Cb 0.30 1.08 0.00 0.00 -0.02 0.00 0.00 41.12 42.48 3i55 n ASP 91 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 3i55 s ASP 92 N -1.88 -0.06 0.09 -2.24 -4.77 -1.26 -4.35 116.67 102.19 3i55 s ASP 92 Ca -0.00 -0.33 -0.27 0.00 -3.30 0.00 0.00 52.55 48.65 3i55 s ASP 92 Cb 0.02 0.31 -0.11 0.00 -1.09 0.00 0.00 42.92 42.05 3i55 s ASP 92 CO 0.12 -0.60 1.44 0.40 0.70 0.00 0.00 175.17 177.23 3i55 h ILE 93 N 2.00 0.00 -0.96 2.11 2.04 -1.90 0.16 117.51 120.95 3i55 h ILE 93 Ca -0.27 0.00 0.29 0.00 1.00 0.00 0.00 64.86 65.88 3i55 h ILE 93 Cb 1.21 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.14 3i55 h ILE 93 CO 0.30 0.00 0.46 0.28 0.00 0.00 0.00 178.15 179.18 3i55 h SER 94 N -0.52 0.34 0.12 1.72 0.02 -1.96 0.59 113.55 113.86 3i55 h SER 94 Ca 0.01 0.19 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 3i55 h SER 94 Cb 0.56 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 3i55 h SER 94 CO -0.30 -0.14 -0.14 1.23 -1.14 0.00 0.00 176.83 176.34 3i55 h GLY 95 N 0.29 -0.27 0.99 -3.77 0.00 -1.42 -0.55 103.07 98.34 3i55 h GLY 95 Ca 0.68 0.15 -0.05 0.00 0.00 0.00 0.00 47.33 48.11 3i55 h GLY 95 CO -0.63 -0.14 -0.48 -2.00 0.00 0.00 0.00 176.54 173.30 3i55 h LEU 96 N -0.29 -1.13 -0.98 3.11 5.85 0.14 -2.88 115.31 119.13 3i55 h LEU 96 Ca 0.01 0.04 0.30 0.00 0.84 0.00 0.00 57.88 59.07 3i55 h LEU 96 Cb 0.28 0.29 -0.18 0.00 0.37 0.00 0.00 40.66 41.43 3i55 h LEU 96 CO -0.05 -0.80 0.16 0.00 -0.34 0.00 0.00 178.44 177.41 3i55 h ALA 97 N -1.36 1.39 -0.63 1.25 0.00 -0.08 0.40 119.26 120.23 3i55 h ALA 97 Ca -0.14 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3i55 h ALA 97 Cb 1.02 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 3i55 h ALA 97 CO 0.22 -0.64 0.37 0.35 0.00 0.00 0.00 179.25 179.56 3i55 h PHE 98 N 0.03 0.83 -0.21 0.00 3.57 -0.89 -2.32 116.94 117.96 3i55 h PHE 98 Ca 0.65 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 62.12 3i55 h PHE 98 Cb 1.43 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 3i55 h PHE 98 CO -0.37 0.57 0.06 0.00 -2.23 0.00 0.00 178.31 176.34 3i55 h ALA 99 N 1.19 0.28 -0.20 2.41 0.00 -0.09 0.40 119.26 123.25 3i55 h ALA 99 Ca 0.22 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3i55 h ALA 99 Cb -0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 3i55 h ALA 99 CO -0.04 -0.09 -0.22 -0.07 0.00 0.00 0.00 179.25 178.83 3i55 h LEU 100 N 0.17 -0.68 -0.05 0.00 3.38 -1.19 1.49 115.31 118.42 3i55 h LEU 100 Ca 0.07 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3i55 h LEU 100 Cb 0.24 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 3i55 h LEU 100 CO -0.00 -0.26 0.03 -0.07 0.09 0.00 0.00 178.44 178.23 3i55 h LEU 101 N -0.24 0.06 0.00 1.67 3.38 -1.24 0.14 115.31 119.09 3i55 h LEU 101 Ca 0.12 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3i55 h LEU 101 Cb 0.43 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3i55 h LEU 101 CO -0.34 0.09 0.00 -1.54 0.09 0.00 0.00 178.44 176.75 3i55 n SER 102 N -5.03 0.00 -2.99 -0.43 3.41 0.14 -4.25 113.62 104.47 3i55 n SER 102 Ca -0.06 0.40 -0.13 0.00 -0.26 0.00 0.00 58.87 58.82 3i55 n SER 102 Cb 0.05 -0.44 0.07 0.00 -0.26 0.00 0.00 64.21 63.63 3i55 n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i55 n GLU 103 N -1.44 -3.47 -0.07 4.33 1.02 0.48 -4.97 120.64 116.52 3i55 n GLU 103 Ca 0.03 0.72 -0.08 0.00 -0.02 0.00 0.00 57.16 57.80 3i55 n GLU 103 Cb 0.10 -5.20 -0.09 0.00 -0.02 0.00 0.00 31.44 26.22 3i55 n GLU 103 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3i55 n GLU 104 N -3.23 1.35 -4.12 3.49 4.07 0.53 -5.00 120.64 117.73 3i55 n GLU 104 Ca -0.14 0.03 -0.19 0.00 -0.06 0.00 0.00 57.16 56.80 3i55 n GLU 104 Cb 0.62 -1.33 -0.07 0.00 -0.06 0.00 0.00 31.44 30.60 3i55 n GLU 104 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 3i55 n THR 105 N -2.66 0.00 -3.99 6.31 5.66 -1.26 -5.04 114.28 113.30 3i55 n THR 105 Ca -0.24 -2.29 -0.12 0.00 -3.05 0.00 0.00 64.05 58.35 3i55 n THR 105 Cb 0.88 1.11 -0.13 0.00 -1.55 0.00 0.00 70.33 70.64 3i55 n THR 105 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3i55 s THR 106 N -3.24 0.20 0.48 1.09 -4.23 -1.26 -4.47 115.64 104.20 3i55 s THR 106 Ca 0.35 -0.41 0.35 0.00 -1.18 0.00 0.00 61.69 60.81 3i55 s THR 106 Cb 0.02 -0.23 0.55 0.00 1.34 0.00 0.00 72.50 74.18 3i55 s THR 106 CO 0.25 -0.14 1.63 -0.07 -0.54 0.00 0.00 174.62 175.75 3i55 h LEU 107 N 5.55 0.17 0.09 4.79 3.38 -1.93 0.56 115.31 127.91 3i55 h LEU 107 Ca -0.28 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3i55 h LEU 107 Cb 1.20 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3i55 h LEU 107 CO 0.47 -0.12 -0.04 -0.09 0.09 0.00 0.00 178.44 178.74 3i55 h ARG 108 N 0.06 -0.12 0.00 1.13 2.43 -1.88 0.93 114.38 116.93 3i55 h ARG 108 Ca 0.83 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 60.01 3i55 h ARG 108 Cb 2.83 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 32.41 3i55 h ARG 108 CO -0.29 0.41 0.45 0.93 -1.51 0.00 0.00 179.97 179.97 3i55 h GLU 109 N -0.79 0.00 0.00 0.20 5.08 -0.22 0.51 114.58 119.37 3i55 h GLU 109 Ca -0.01 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.00 3i55 h GLU 109 Cb 0.58 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 3i55 h GLU 109 CO 0.02 0.00 -2.27 1.04 -1.00 0.00 0.00 179.01 176.80 3i55 n GLN 110 N -2.69 0.68 0.00 2.33 1.13 -0.75 -4.94 117.38 113.14 3i55 n GLN 110 Ca -0.01 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 3i55 n GLN 110 Cb 0.49 -1.56 0.00 0.00 0.11 0.00 0.00 30.24 29.28 3i55 n GLN 110 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i55 n GLY 111 N 1.70 1.90 3.62 1.08 0.00 0.17 -4.74 105.19 108.93 3i55 n GLY 111 Ca -0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 3i55 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i55 s LEU 112 N 0.00 3.24 0.02 0.99 1.43 0.32 -0.83 118.68 123.84 3i55 s LEU 112 Ca 0.00 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 3i55 s LEU 112 Cb 0.00 -1.96 -0.06 0.00 0.03 0.00 0.00 46.19 44.20 3i55 s LEU 112 CO 0.00 0.21 1.35 -0.55 0.23 0.00 0.00 176.35 177.59 3i55 s SER 113 N -2.01 6.90 0.59 2.29 0.15 0.12 -3.14 113.70 118.60 3i55 s SER 113 Ca 0.22 2.09 0.12 0.00 0.70 0.00 0.00 55.95 59.08 3i55 s SER 113 Cb -0.11 -2.57 0.63 0.00 -1.71 0.00 0.00 66.02 62.27 3i55 s SER 113 CO 0.14 -0.66 1.32 -0.65 1.20 0.00 0.00 173.24 174.58 3i55 h PRO 114 N 7.52 0.00 -6.02 5.44 0.11 -1.90 -3.40 132.00 133.75 3i55 h PRO 114 Ca -0.38 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.06 3i55 h PRO 114 Cb 1.18 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.17 3i55 h PRO 114 CO 0.88 0.00 -0.61 0.99 -0.21 0.00 0.00 178.00 179.06 3i55 s THR 115 N -3.84 4.46 -0.51 -1.15 2.01 -1.26 -4.42 115.64 110.93 3i55 s THR 115 Ca -0.01 -0.37 -0.01 0.00 0.31 0.00 0.00 61.69 61.60 3i55 s THR 115 Cb 0.03 -2.96 0.13 0.00 0.01 0.00 0.00 72.50 69.72 3i55 s THR 115 CO 0.11 0.46 0.30 -0.76 -0.69 0.00 0.00 174.62 174.04 3i55 s LEU 116 N -1.35 5.09 -0.99 4.42 1.43 0.26 -4.68 118.68 122.87 3i55 s LEU 116 Ca 0.18 -2.51 -0.24 0.00 -1.03 0.00 0.00 54.13 50.52 3i55 s LEU 116 Cb -0.12 -1.80 -0.09 0.00 0.03 0.00 0.00 46.19 44.21 3i55 s LEU 116 CO 0.08 -0.42 2.03 -0.13 0.23 0.00 0.00 176.35 178.14 3i55 s ARG 117 N 0.43 2.26 1.27 1.70 0.52 -1.26 -2.01 118.95 121.86 3i55 s ARG 117 Ca 0.13 -0.44 -0.21 0.00 -0.52 0.00 0.00 55.73 54.69 3i55 s ARG 117 Cb -0.22 -5.07 0.32 0.00 0.52 0.00 0.00 34.95 30.50 3i55 s ARG 117 CO -0.04 -3.92 1.09 -0.51 0.02 0.00 0.00 175.30 171.94 3i55 s LEU 118 N 11.74 0.31 0.12 2.53 1.43 -1.15 -4.95 118.68 128.71 3i55 s LEU 118 Ca 0.74 0.53 0.09 0.00 -1.03 0.00 0.00 54.13 54.46 3i55 s LEU 118 Cb -0.06 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 3i55 s LEU 118 CO 0.06 -4.47 -0.18 -2.28 0.23 0.00 0.00 176.35 169.71 3i55 s HIS 119 N -2.93 2.54 0.18 0.29 5.65 -1.16 -4.87 115.29 114.99 3i55 s HIS 119 Ca 0.72 -0.26 -0.31 0.00 0.25 0.00 0.00 55.06 55.46 3i55 s HIS 119 Cb -0.08 -1.34 -0.16 0.00 -1.18 0.00 0.00 32.58 29.82 3i55 s HIS 119 CO 0.56 0.40 0.90 -2.30 -0.65 0.00 0.00 174.74 173.65 3i55 n PRO 120 N 0.75 0.66 -1.67 2.88 -0.02 -1.26 -4.46 135.00 131.87 3i55 n PRO 120 Ca -0.15 0.23 -0.45 0.00 -2.02 0.00 0.00 63.50 61.11 3i55 n PRO 120 Cb 0.53 -1.54 -0.04 0.00 -0.02 0.00 0.00 33.50 32.43 3i55 n PRO 120 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3i55 n PRO 121 N 1.25 2.49 -2.03 0.52 -0.04 -1.26 -4.70 135.00 131.23 3i55 n PRO 121 Ca 0.16 0.91 -0.42 0.00 -0.04 0.00 0.00 63.50 64.10 3i55 n PRO 121 Cb 0.24 -2.80 -0.03 0.00 -0.04 0.00 0.00 33.50 30.87 3i55 n PRO 121 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3i55 s ARG 122 N 4.01 4.20 0.00 0.54 0.52 -0.35 -0.88 118.95 126.99 3i55 s ARG 122 Ca 0.90 2.18 0.00 0.00 -0.52 0.00 0.00 55.73 58.29 3i55 s ARG 122 Cb -0.58 -3.84 0.00 0.00 0.52 0.00 0.00 34.95 31.05 3i55 s ARG 122 CO 0.46 -0.78 0.00 0.41 0.02 0.00 0.00 175.30 175.41 3i55 n GLY 123 N 4.03 0.74 0.49 -3.53 0.00 -1.26 -4.92 105.19 100.73 3i55 n GLY 123 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 3i55 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i55 n GLY 124 N -2.16 -2.86 3.77 -0.02 0.00 -0.06 -5.01 105.19 98.85 3i55 n GLY 124 Ca 0.00 -1.32 -0.19 0.00 0.00 0.00 0.00 46.02 44.51 3i55 n GLY 124 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i55 n HIS 125 N -2.80 -2.45 0.73 1.61 1.44 -1.26 -4.94 115.22 107.54 3i55 n HIS 125 Ca -0.03 -1.97 0.01 0.00 -2.01 0.00 0.00 57.72 53.71 3i55 n HIS 125 Cb 0.23 -0.57 0.05 0.00 0.12 0.00 0.00 29.99 29.83 3i55 n HIS 125 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3i55 n ASP 126 N -2.47 1.76 0.00 4.39 8.00 -1.26 -4.98 116.55 121.98 3i55 n ASP 126 Ca 0.16 -2.14 0.00 0.00 0.71 0.00 0.00 54.79 53.52 3i55 n ASP 126 Cb 0.58 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 3i55 n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i55 n GLY 127 N 0.10 0.31 1.64 0.44 0.00 -1.26 -3.77 105.19 102.66 3i55 n GLY 127 Ca 0.04 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 3i55 n GLY 127 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i55 n VAL 128 N 0.80 2.83 0.00 1.61 0.24 -1.26 -0.81 118.33 121.74 3i55 n VAL 128 Ca 0.00 -2.25 0.00 0.00 -2.04 0.00 0.00 64.34 60.05 3i55 n VAL 128 Cb 0.00 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.00 3i55 n VAL 128 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3i55 n LYS 129 N -0.97 1.56 -3.64 7.34 5.02 -1.26 -4.99 118.16 121.21 3i55 n LYS 129 Ca 0.43 -1.15 -0.15 0.00 -2.02 0.00 0.00 58.31 55.43 3i55 n LYS 129 Cb 1.31 -1.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.25 3i55 n LYS 129 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3i55 s HIS 130 N -0.64 -0.37 0.00 2.13 3.76 -1.26 -5.07 115.29 113.84 3i55 s HIS 130 Ca 0.00 0.52 0.00 0.00 -0.15 0.00 0.00 55.06 55.43 3i55 s HIS 130 Cb 0.00 0.25 0.00 0.00 1.11 0.00 0.00 32.58 33.94 3i55 s HIS 130 CO 0.00 -0.54 0.00 -0.35 -0.85 0.00 0.00 174.74 173.01 3i55 n PRO 131 N 0.84 -0.68 0.10 8.40 -0.04 -1.26 -2.16 135.00 140.20 3i55 n PRO 131 Ca -0.20 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.06 3i55 n PRO 131 Cb 0.58 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.92 3i55 n PRO 131 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3i55 h VAL 132 N -1.34 1.35 -0.72 0.52 2.07 -1.52 2.35 116.25 118.95 3i55 h VAL 132 Ca 0.00 -2.62 -0.01 0.00 0.82 0.00 0.00 66.70 64.89 3i55 h VAL 132 Cb 0.00 2.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.49 3i55 h VAL 132 CO 0.00 0.79 0.43 0.11 0.02 0.00 0.00 177.57 178.91 3i55 h LYS 133 N 0.21 0.98 -0.03 1.57 1.57 -1.87 -1.25 116.57 117.75 3i55 h LYS 133 Ca -0.17 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3i55 h LYS 133 Cb 1.92 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 34.02 3i55 h LYS 133 CO 0.23 0.69 0.00 0.39 -0.57 0.00 0.00 179.45 180.19 3i55 n GLU 134 N -4.39 1.22 -0.06 3.15 1.02 -1.24 -4.86 120.64 115.49 3i55 n GLU 134 Ca 0.07 -0.32 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 3i55 n GLU 134 Cb 0.07 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 3i55 n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i55 n GLY 135 N 0.97 0.97 0.00 0.62 0.00 -0.47 -4.92 105.19 102.36 3i55 n GLY 135 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3i55 n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i55 n GLY 136 N -2.06 1.54 0.00 -0.02 0.00 0.79 -4.77 105.19 100.67 3i55 n GLY 136 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.10 3i55 n GLY 136 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i55 n GLN 137 N 0.00 0.48 -3.51 1.61 -0.06 0.01 -4.08 117.38 111.84 3i55 n GLN 137 Ca 0.00 -0.67 -0.33 0.00 -2.00 0.00 0.00 57.00 53.99 3i55 n GLN 137 Cb 0.00 -0.81 -0.05 0.00 -4.06 0.00 0.00 30.24 25.31 3i55 n GLN 137 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3i55 s LEU 138 N -0.28 4.27 0.00 1.69 1.43 -1.12 -4.54 118.68 120.13 3i55 s LEU 138 Ca 0.00 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 3i55 s LEU 138 Cb 0.00 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.90 3i55 s LEU 138 CO 0.00 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.25 3i55 n GLY 139 N 0.38 -1.79 3.75 -3.19 0.00 -0.38 -1.89 105.19 102.07 3i55 n GLY 139 Ca -0.04 -1.91 -0.35 0.00 0.00 0.00 0.00 46.02 43.73 3i55 n GLY 139 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i55 s LYS 140 N 0.00 2.88 0.27 1.61 2.20 -1.26 -1.68 119.74 123.76 3i55 s LYS 140 Ca 0.00 1.74 0.03 0.00 -0.36 0.00 0.00 55.97 57.38 3i55 s LYS 140 Cb 0.00 -1.93 -0.06 0.00 -1.51 0.00 0.00 37.83 34.34 3i55 s LYS 140 CO 0.00 -1.26 0.06 -1.01 -0.36 0.00 0.00 175.35 172.78 3i55 s HIS 141 N -1.76 1.69 0.09 4.03 3.76 0.20 -4.72 115.29 118.58 3i55 s HIS 141 Ca 0.75 -1.05 -0.30 0.00 -0.15 0.00 0.00 55.06 54.31 3i55 s HIS 141 Cb -0.28 -1.03 -0.05 0.00 1.11 0.00 0.00 32.58 32.32 3i55 s HIS 141 CO 0.35 -0.15 0.98 0.34 -0.85 0.00 0.00 174.74 175.41 3i55 s ASP 142 N -3.37 7.44 0.58 1.40 -1.08 -1.26 -4.66 116.67 115.72 3i55 s ASP 142 Ca 0.35 1.80 0.33 0.00 -0.52 0.00 0.00 52.55 54.52 3i55 s ASP 142 Cb 0.08 -2.59 1.36 0.00 -1.46 0.00 0.00 42.92 40.32 3i55 s ASP 142 CO 0.13 -0.13 1.64 0.74 0.52 0.00 0.00 175.17 178.08 3i55 h THR 143 N 4.17 0.21 0.08 1.71 2.02 -1.98 1.64 112.91 120.76 3i55 h THR 143 Ca -0.43 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 66.64 3i55 h THR 143 Cb 1.21 0.28 0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3i55 h THR 143 CO 0.73 0.00 -0.51 -0.08 0.37 0.00 0.00 175.52 176.02 3i55 h GLU 144 N 0.00 0.17 0.40 6.66 4.81 -1.90 -3.01 114.58 121.72 3i55 h GLU 144 Ca 0.50 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3i55 h GLU 144 Cb 2.38 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 31.85 3i55 h GLU 144 CO -0.01 1.14 -0.36 0.78 -0.73 0.00 0.00 179.01 179.83 3i55 h GLY 145 N -0.62 -0.87 -0.52 1.92 0.00 0.17 0.20 103.07 103.34 3i55 h GLY 145 Ca -0.09 0.42 0.19 0.00 0.00 0.00 0.00 47.33 47.84 3i55 h GLY 145 CO 0.08 -0.31 -0.03 -2.22 0.00 0.00 0.00 176.54 174.06 3i55 h ILE 146 N -0.78 0.25 0.45 2.60 1.08 0.14 0.17 117.51 121.42 3i55 h ILE 146 Ca -0.03 -0.02 -0.02 0.00 -0.39 0.00 0.00 64.86 64.39 3i55 h ILE 146 Cb 0.69 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 3i55 h ILE 146 CO -0.04 0.01 -0.22 0.44 -0.69 0.00 0.00 178.15 177.66 3i55 h ASP 147 N 0.07 -0.51 -1.11 1.72 3.32 -1.27 -0.80 116.42 117.84 3i55 h ASP 147 Ca 0.44 -0.01 0.43 0.00 0.02 0.00 0.00 57.03 57.91 3i55 h ASP 147 Cb 0.79 0.13 -0.17 0.00 0.22 0.00 0.00 39.33 40.31 3i55 h ASP 147 CO -0.75 -0.32 0.64 0.47 -1.72 0.00 0.00 179.24 177.56 3i55 n ASP 148 N -5.33 0.31 -0.00 6.45 8.00 0.65 0.17 116.55 126.81 3i55 n ASP 148 Ca -0.11 1.57 -0.00 0.00 0.71 0.00 0.00 54.79 56.95 3i55 n ASP 148 Cb 0.27 -0.77 -0.00 0.00 -0.02 0.00 0.00 41.12 40.60 3i55 n ASP 148 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3i55 h LEU 149 N 0.00 -0.02 -0.98 0.64 5.85 -0.92 -2.47 115.31 117.41 3i55 h LEU 149 Ca 0.85 0.00 0.31 0.00 0.84 0.00 0.00 57.88 59.89 3i55 h LEU 149 Cb 2.41 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 43.29 3i55 h LEU 149 CO -0.68 0.07 0.49 -0.07 -0.34 0.00 0.00 178.44 177.92 3i55 h LEU 150 N -0.20 0.39 0.69 2.25 3.38 -0.16 1.07 115.31 122.73 3i55 h LEU 150 Ca -0.00 0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 3i55 h LEU 150 Cb 0.02 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3i55 h LEU 150 CO 0.00 -0.17 -0.40 -0.08 0.09 0.00 0.00 178.44 177.89 3i55 h GLU 151 N 0.27 -0.98 0.00 1.13 4.57 0.17 -1.84 114.58 117.90 3i55 h GLU 151 Ca 0.71 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.95 3i55 h GLU 151 Cb 1.60 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 30.42 3i55 h GLU 151 CO -0.64 -0.66 0.01 0.00 -1.18 0.00 0.00 179.01 176.55 3i55 n ALA 152 N -2.61 1.02 -1.84 2.92 0.00 0.34 -2.05 120.51 118.29 3i55 n ALA 152 Ca -0.14 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.07 3i55 n ALA 152 Cb 0.43 -0.98 0.05 0.00 0.00 0.00 0.00 19.45 18.95 3i55 n ALA 152 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3i55 n MET 153 N -1.44 3.25 0.00 0.00 2.81 0.33 -1.21 117.12 120.86 3i55 n MET 153 Ca 0.00 -3.91 0.00 0.00 -1.81 0.00 0.00 57.70 51.98 3i55 n MET 153 Cb 0.01 -2.22 0.00 0.00 -0.71 0.00 0.00 33.22 30.30 3i55 n MET 153 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02