#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 s HIS 2 N 0.00 2.74 -0.28 1.12 3.76 0.58 -4.33 115.29 118.88 3i56 s HIS 2 Ca 0.00 -0.17 -0.06 0.00 -0.15 0.00 0.00 55.06 54.68 3i56 s HIS 2 Cb 0.00 -1.35 0.01 0.00 1.11 0.00 0.00 32.58 32.35 3i56 s HIS 2 CO 0.00 0.50 0.05 0.00 -0.85 0.00 0.00 174.74 174.43 3i56 s ALA 3 N -1.62 2.98 -0.06 -1.40 0.00 -0.00 -1.01 121.76 120.64 3i56 s ALA 3 Ca 0.25 -1.43 -0.15 0.00 0.00 0.00 0.00 51.96 50.63 3i56 s ALA 3 Cb -0.09 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 3i56 s ALA 3 CO 0.16 -0.87 0.38 -0.51 0.00 0.00 0.00 175.76 174.93 3i56 s LEU 4 N 1.47 4.38 -0.13 0.00 1.43 -0.12 -3.56 118.68 122.15 3i56 s LEU 4 Ca 0.02 0.81 -0.01 0.00 -1.03 0.00 0.00 54.13 53.92 3i56 s LEU 4 Cb -0.17 -2.54 0.04 0.00 0.03 0.00 0.00 46.19 43.55 3i56 s LEU 4 CO 0.01 0.22 -0.02 -0.69 0.23 0.00 0.00 176.35 176.10 3i56 s VAL 5 N -0.40 0.71 -0.16 -1.59 1.01 0.00 -1.96 120.40 118.02 3i56 s VAL 5 Ca 0.22 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 3i56 s VAL 5 Cb -0.15 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3i56 s VAL 5 CO 0.10 0.13 1.43 -1.58 0.00 0.00 0.00 175.10 175.19 3i56 s GLN 6 N 1.81 4.12 -0.00 2.72 0.74 -1.08 -1.14 119.66 126.83 3i56 s GLN 6 Ca 0.02 1.77 0.10 0.00 0.05 0.00 0.00 55.36 57.31 3i56 s GLN 6 Cb -0.14 -3.88 -0.12 0.00 1.10 0.00 0.00 33.01 29.97 3i56 s GLN 6 CO -0.07 -0.87 0.39 1.28 -0.55 0.00 0.00 175.29 175.47 3i56 n LEU 7 N 7.13 0.40 -4.29 3.68 4.77 -0.99 -0.48 117.00 127.22 3i56 n LEU 7 Ca 0.16 -0.42 -0.30 0.00 -0.03 0.00 0.00 56.01 55.42 3i56 n LEU 7 Cb 0.44 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.38 3i56 n LEU 7 CO 0.60 0.10 -0.56 -0.13 -1.33 0.00 0.00 177.39 176.06 3i56 s ARG 8 N -2.08 2.04 1.40 3.23 0.52 -1.17 -4.92 118.95 117.96 3i56 s ARG 8 Ca 0.03 -0.89 -0.22 0.00 -0.52 0.00 0.00 55.73 54.12 3i56 s ARG 8 Cb 0.07 -1.97 0.36 0.00 0.52 0.00 0.00 34.95 33.94 3i56 s ARG 8 CO 0.42 0.54 0.95 0.20 0.02 0.00 0.00 175.30 177.43 3i56 s GLY 9 N -0.58 1.44 0.08 -3.53 0.00 -1.26 -4.89 107.32 98.57 3i56 s GLY 9 Ca 0.09 -0.82 0.13 0.00 0.00 0.00 0.00 44.72 44.12 3i56 s GLY 9 CO -0.01 0.17 1.00 1.05 0.00 0.00 0.00 173.10 175.31 3i56 h GLU 10 N -3.32 0.00 -6.69 2.90 4.11 -1.97 -3.43 114.58 106.17 3i56 h GLU 10 Ca -0.44 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.47 3i56 h GLU 10 Cb 1.33 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.64 3i56 h GLU 10 CO 0.29 0.57 0.83 0.08 0.07 0.00 0.00 179.01 180.85 3i56 s VAL 11 N -2.77 2.57 0.00 -1.06 1.01 -1.26 -2.31 120.40 116.58 3i56 s VAL 11 Ca -0.01 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3i56 s VAL 11 Cb 0.09 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.18 3i56 s VAL 11 CO 0.81 0.06 0.00 0.59 0.00 0.00 0.00 175.10 176.55 3i56 n ASN 12 N 3.00 0.00 -4.75 3.32 3.02 -1.26 -4.98 115.26 113.60 3i56 n ASN 12 Ca 0.10 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.25 3i56 n ASN 12 Cb 0.39 -0.95 -0.06 0.00 -0.61 0.00 0.00 39.78 38.55 3i56 n ASN 12 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3i56 s MET 13 N -0.27 4.81 0.51 3.52 1.75 -0.98 -5.01 119.30 123.64 3i56 s MET 13 Ca 0.00 1.52 -0.23 0.00 -1.25 0.00 0.00 55.69 55.73 3i56 s MET 13 Cb 0.00 -3.23 -0.07 0.00 2.84 0.00 0.00 34.83 34.37 3i56 s MET 13 CO 0.00 0.46 1.25 0.72 -0.65 0.00 0.00 175.02 176.80 3i56 n HIS 14 N 1.38 1.94 -0.11 4.11 8.25 -1.26 -4.85 115.22 124.68 3i56 n HIS 14 Ca -0.02 0.46 -0.05 0.00 -0.26 0.00 0.00 57.72 57.85 3i56 n HIS 14 Cb 0.47 -2.32 0.14 0.00 1.12 0.00 0.00 29.99 29.39 3i56 n HIS 14 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3i56 h THR 15 N 1.51 1.25 0.00 1.59 2.02 -1.96 -1.45 112.91 115.87 3i56 h THR 15 Ca -0.49 -1.09 -0.02 0.00 0.77 0.00 0.00 66.41 65.59 3i56 h THR 15 Cb 1.31 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 68.67 3i56 h THR 15 CO 0.57 0.38 -0.08 -2.24 0.37 0.00 0.00 175.52 174.52 3i56 h ASP 16 N 0.73 0.00 0.18 4.18 2.03 -1.99 -0.15 116.42 121.40 3i56 h ASP 16 Ca 0.13 0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 56.11 3i56 h ASP 16 Cb 0.52 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.03 3i56 h ASP 16 CO 0.03 0.08 -1.61 0.40 -1.03 0.00 0.00 179.24 177.10 3i56 h ILE 17 N 0.00 1.03 -0.35 4.15 2.04 -1.85 -3.09 117.51 119.43 3i56 h ILE 17 Ca -0.00 -2.52 0.02 0.00 1.00 0.00 0.00 64.86 63.36 3i56 h ILE 17 Cb 0.56 2.81 -0.03 0.00 -0.74 0.00 0.00 36.82 39.43 3i56 h ILE 17 CO 0.01 0.82 0.19 -0.61 0.00 0.00 0.00 178.15 178.56 3i56 h GLN 18 N 0.01 0.38 0.00 2.37 5.75 -0.90 -2.16 115.11 120.55 3i56 h GLN 18 Ca -0.32 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.11 3i56 h GLN 18 Cb 2.03 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 30.48 3i56 h GLN 18 CO 0.17 0.25 -0.25 -0.44 -2.65 0.00 0.00 178.83 175.90 3i56 h ASP 19 N 0.39 0.00 -0.23 -0.69 3.32 -1.15 -1.81 116.42 116.25 3i56 h ASP 19 Ca 0.14 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.00 3i56 h ASP 19 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3i56 h ASP 19 CO -0.08 0.25 -0.61 0.74 -1.72 0.00 0.00 179.24 177.82 3i56 h THR 20 N 0.00 1.28 -0.06 0.35 2.02 -1.33 -1.48 112.91 113.69 3i56 h THR 20 Ca -0.00 -1.80 -0.09 0.00 0.77 0.00 0.00 66.41 65.28 3i56 h THR 20 Cb 0.61 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 3i56 h THR 20 CO 0.03 0.58 -0.39 -0.07 0.37 0.00 0.00 175.52 176.05 3i56 h LEU 21 N 0.57 0.12 -0.54 2.58 3.38 -1.01 -1.53 115.31 118.88 3i56 h LEU 21 Ca -0.01 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 3i56 h LEU 21 Cb 1.23 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 3i56 h LEU 21 CO 0.13 0.50 -0.61 -0.33 0.09 0.00 0.00 178.44 178.22 3i56 h GLU 22 N 0.10 0.00 0.00 1.13 5.08 -1.17 -0.61 114.58 119.12 3i56 h GLU 22 Ca 0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3i56 h GLU 22 Cb 0.73 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3i56 h GLU 22 CO 0.05 0.61 -0.29 0.52 -1.00 0.00 0.00 179.01 178.91 3i56 h MET 23 N 0.00 0.00 -0.84 2.33 2.86 -0.56 -2.64 114.93 116.08 3i56 h MET 23 Ca -0.01 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.38 3i56 h MET 23 Cb 1.23 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.74 3i56 h MET 23 CO 0.08 0.29 0.32 1.28 1.06 0.00 0.00 176.91 179.94 3i56 n LEU 24 N -3.29 5.73 -2.20 1.22 4.77 -0.64 -4.91 117.00 117.68 3i56 n LEU 24 Ca 0.01 -3.00 -0.11 0.00 -0.03 0.00 0.00 56.01 52.89 3i56 n LEU 24 Cb 0.55 -0.74 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 3i56 n LEU 24 CO 0.36 0.80 -0.13 0.59 -1.33 0.00 0.00 177.39 177.67 3i56 n ASN 25 N -0.27 -3.44 -4.07 -1.43 3.02 -0.99 -4.81 115.26 103.26 3i56 n ASN 25 Ca 0.39 0.24 -0.33 0.00 -0.03 0.00 0.00 54.58 54.85 3i56 n ASN 25 Cb 1.32 -3.01 -0.14 0.00 -0.61 0.00 0.00 39.78 37.34 3i56 n ASN 25 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3i56 s ILE 26 N -2.41 2.57 -0.47 2.41 2.07 -0.27 -4.62 121.20 120.47 3i56 s ILE 26 Ca 0.00 -2.02 0.18 0.00 -1.41 0.00 0.00 60.65 57.40 3i56 s ILE 26 Cb 0.00 -2.73 -0.23 0.00 0.13 0.00 0.00 42.46 39.62 3i56 s ILE 26 CO 0.00 -0.44 0.59 1.41 -1.91 0.00 0.00 174.94 174.59 3i56 n HIS 27 N 4.41 0.00 -4.44 3.50 8.25 -1.26 -3.84 115.22 121.84 3i56 n HIS 27 Ca -0.03 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.21 3i56 n HIS 27 Cb 0.42 -0.19 -0.09 0.00 1.12 0.00 0.00 29.99 31.25 3i56 n HIS 27 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3i56 s HIS 28 N -2.95 1.79 0.39 4.41 3.76 -1.26 -5.06 115.29 116.38 3i56 s HIS 28 Ca 0.01 -1.16 -0.24 0.00 -0.15 0.00 0.00 55.06 53.52 3i56 s HIS 28 Cb 0.13 -1.13 -0.09 0.00 1.11 0.00 0.00 32.58 32.59 3i56 s HIS 28 CO 0.74 -0.21 1.02 0.08 -0.85 0.00 0.00 174.74 175.52 3i56 s VAL 29 N -3.37 3.87 0.00 -0.90 1.01 -1.26 -3.42 120.40 116.32 3i56 s VAL 29 Ca 0.32 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.71 3i56 s VAL 29 Cb 0.06 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.72 3i56 s VAL 29 CO 0.15 -0.01 0.00 0.59 0.00 0.00 0.00 175.10 175.83 3i56 n ASN 30 N -0.05 -3.93 -4.83 3.32 3.02 0.37 -4.96 115.26 108.19 3i56 n ASN 30 Ca 0.05 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.26 3i56 n ASN 30 Cb 0.50 -1.60 -0.06 0.00 -0.61 0.00 0.00 39.78 38.01 3i56 n ASN 30 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3i56 s HIS 31 N -1.68 3.50 -0.03 3.10 3.76 -1.22 -2.34 115.29 120.38 3i56 s HIS 31 Ca 0.00 1.33 0.02 0.00 -0.15 0.00 0.00 55.06 56.26 3i56 s HIS 31 Cb 0.00 -2.60 0.01 0.00 1.11 0.00 0.00 32.58 31.10 3i56 s HIS 31 CO 0.00 0.19 -0.09 0.00 -0.85 0.00 0.00 174.74 174.00 3i56 s THR 33 N 0.27 1.70 -0.52 0.00 -1.32 -0.83 0.39 115.64 115.34 3i56 s THR 33 Ca -0.04 -1.91 -0.08 0.00 -1.21 0.00 0.00 61.69 58.44 3i56 s THR 33 Cb -0.09 -1.80 0.13 0.00 -1.51 0.00 0.00 72.50 69.23 3i56 s THR 33 CO 0.01 -0.37 0.38 -0.76 -2.21 0.00 0.00 174.62 171.67 3i56 s LEU 34 N -2.69 5.71 -0.18 9.08 1.43 -1.26 -0.94 118.68 129.82 3i56 s LEU 34 Ca 0.15 -2.10 -0.11 0.00 -1.03 0.00 0.00 54.13 51.04 3i56 s LEU 34 Cb -0.05 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 3i56 s LEU 34 CO 0.06 -0.64 0.18 0.54 0.23 0.00 0.00 176.35 176.72 3i56 s VAL 35 N 1.07 5.38 0.85 -1.59 0.11 -0.18 -4.95 120.40 121.09 3i56 s VAL 35 Ca 0.08 0.31 -0.12 0.00 -2.93 0.00 0.00 61.98 59.32 3i56 s VAL 35 Cb -0.24 -3.52 0.10 0.00 -1.53 0.00 0.00 36.38 31.19 3i56 s VAL 35 CO -0.02 0.44 1.10 -2.84 -3.33 0.00 0.00 175.10 170.44 3i56 s PRO 36 N 0.29 1.69 -0.75 1.54 0.02 -1.26 -0.30 135.00 136.21 3i56 s PRO 36 Ca 0.11 0.70 -0.12 0.00 0.02 0.00 0.00 61.00 61.70 3i56 s PRO 36 Cb -0.12 -1.87 0.20 0.00 0.02 0.00 0.00 34.50 32.73 3i56 s PRO 36 CO 0.00 -1.91 0.68 -1.21 -0.33 0.00 0.00 177.00 174.23 3i56 s GLU 37 N -5.07 3.35 0.18 5.54 2.02 -1.26 -4.72 118.70 118.74 3i56 s GLU 37 Ca 0.62 -2.37 0.00 0.00 0.02 0.00 0.00 54.97 53.24 3i56 s GLU 37 Cb -0.16 -4.29 0.00 0.00 0.10 0.00 0.00 34.13 29.78 3i56 s GLU 37 CO 0.55 -1.27 0.02 2.41 0.02 0.00 0.00 175.26 176.99 3i56 n THR 38 N 4.06 0.00 0.02 3.63 -1.04 -1.26 -4.96 114.28 114.73 3i56 n THR 38 Ca 0.09 -0.82 -0.20 0.00 -2.04 0.00 0.00 64.05 61.09 3i56 n THR 38 Cb 0.45 0.09 -0.14 0.00 -1.82 0.00 0.00 70.33 68.91 3i56 n THR 38 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3i56 h ASP 39 N 0.39 0.36 -0.95 8.00 3.32 -1.98 -3.02 116.42 122.54 3i56 h ASP 39 Ca -0.14 -0.91 0.01 0.00 0.02 0.00 0.00 57.03 56.00 3i56 h ASP 39 Cb 0.44 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 3i56 h ASP 39 CO 0.23 1.40 0.62 0.00 -1.72 0.00 0.00 179.24 179.78 3i56 h ALA 40 N 0.01 1.31 0.00 3.45 0.00 -1.98 -1.58 119.26 120.47 3i56 h ALA 40 Ca -0.18 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 3i56 h ALA 40 Cb 1.57 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3i56 h ALA 40 CO 0.09 0.63 -0.60 1.88 0.00 0.00 0.00 179.25 181.26 3i56 h TYR 41 N 1.29 0.00 -0.00 0.00 0.99 -1.87 -3.20 116.97 114.18 3i56 h TYR 41 Ca 0.35 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.90 3i56 h TYR 41 Cb -0.14 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 37.57 3i56 h TYR 41 CO 0.00 0.60 -0.81 -0.09 -0.00 0.00 0.00 178.16 177.85 3i56 h ARG 42 N 0.00 0.07 0.00 4.88 2.43 -1.27 -2.58 114.38 117.91 3i56 h ARG 42 Ca -0.01 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 58.99 3i56 h ARG 42 Cb 1.45 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.01 3i56 h ARG 42 CO 0.08 0.85 -0.43 0.78 -1.51 0.00 0.00 179.97 179.73 3i56 h GLY 43 N 2.17 0.00 0.60 2.80 0.00 -1.33 -2.36 103.07 104.95 3i56 h GLY 43 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.22 3i56 h GLY 43 CO 0.11 0.00 -0.33 -0.33 0.00 0.00 0.00 176.54 175.99 3i56 h MET 44 N 0.00 0.27 0.00 4.80 2.86 -1.51 -3.15 114.93 118.20 3i56 h MET 44 Ca -0.00 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 3i56 h MET 44 Cb 0.76 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.49 3i56 h MET 44 CO 0.06 0.94 -0.05 -0.39 1.06 0.00 0.00 176.91 178.52 3i56 h VAL 45 N -0.30 0.11 -0.02 -2.22 -1.51 -1.41 -2.68 116.25 108.23 3i56 h VAL 45 Ca -0.03 -0.73 -0.15 0.00 -1.23 0.00 0.00 66.70 64.55 3i56 h VAL 45 Cb 1.03 1.65 -0.02 0.00 -2.13 0.00 0.00 31.29 31.83 3i56 h VAL 45 CO 0.07 0.05 -0.69 0.00 -1.23 0.00 0.00 177.57 175.77 3i56 h ALA 46 N 1.95 0.81 0.00 5.19 0.00 -1.48 -0.26 119.26 125.46 3i56 h ALA 46 Ca -0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 3i56 h ALA 46 Cb 0.65 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3i56 h ALA 46 CO 0.01 0.82 -0.01 -0.22 0.00 0.00 0.00 179.25 179.85 3i56 h LYS 47 N 0.08 0.00 -0.01 0.00 3.64 -1.44 -3.14 116.57 115.70 3i56 h LYS 47 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3i56 h LYS 47 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3i56 h LYS 47 CO 0.10 0.01 -0.64 0.28 -2.27 0.00 0.00 179.45 176.93 3i56 n VAL 48 N -3.10 0.00 -0.21 2.00 0.31 -1.09 -4.72 118.33 111.51 3i56 n VAL 48 Ca 0.04 -0.18 0.19 0.00 -0.01 0.00 0.00 64.34 64.37 3i56 n VAL 48 Cb 0.52 1.11 0.34 0.00 -0.91 0.00 0.00 33.84 34.90 3i56 n VAL 48 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3i56 n ASN 49 N -0.76 0.17 -0.02 4.52 2.85 -0.13 -0.55 115.26 121.34 3i56 n ASN 49 Ca 0.06 1.08 0.12 0.00 -0.11 0.00 0.00 54.58 55.73 3i56 n ASN 49 Cb 0.34 -0.50 0.33 0.00 1.24 0.00 0.00 39.78 41.20 3i56 n ASN 49 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 3i56 n ASP 50 N -4.55 0.45 -0.16 1.20 8.00 -1.26 -2.40 116.55 117.83 3i56 n ASP 50 Ca 0.23 -0.18 0.03 0.00 0.71 0.00 0.00 54.79 55.58 3i56 n ASP 50 Cb 0.77 0.10 0.05 0.00 -0.02 0.00 0.00 41.12 42.03 3i56 n ASP 50 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3i56 n PHE 51 N -1.42 0.12 -4.29 1.24 3.01 0.29 -4.89 117.46 111.50 3i56 n PHE 51 Ca 0.07 -0.57 -0.19 0.00 1.01 0.00 0.00 57.45 57.76 3i56 n PHE 51 Cb 0.33 -0.07 -0.07 0.00 -0.01 0.00 0.00 39.48 39.67 3i56 n PHE 51 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 3i56 n VAL 52 N -0.43 0.00 -3.62 -4.37 3.14 -1.10 -2.34 118.33 109.61 3i56 n VAL 52 Ca 0.05 -2.20 -0.19 0.00 -2.96 0.00 0.00 64.34 59.04 3i56 n VAL 52 Cb 0.35 1.04 -0.15 0.00 -1.06 0.00 0.00 33.84 34.02 3i56 n VAL 52 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i56 s ALA 53 N -3.19 -0.08 0.29 1.55 0.00 -0.30 -1.63 121.76 118.41 3i56 s ALA 53 Ca 0.33 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.66 3i56 s ALA 53 Cb 0.02 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 22.13 3i56 s ALA 53 CO 0.23 -0.79 0.09 -0.59 0.00 0.00 0.00 175.76 174.70 3i56 s PHE 54 N 2.27 1.70 0.00 0.00 -0.12 -0.54 -0.82 117.98 120.48 3i56 s PHE 54 Ca 0.04 -1.12 0.00 0.00 -0.05 0.00 0.00 56.93 55.80 3i56 s PHE 54 Cb -0.13 -1.04 0.00 0.00 -0.63 0.00 0.00 43.02 41.21 3i56 s PHE 54 CO -0.07 -0.22 0.00 0.41 -0.05 0.00 0.00 175.22 175.28 3i56 n GLY 55 N -0.57 2.53 3.66 1.99 0.00 -1.23 -0.11 105.19 111.46 3i56 n GLY 55 Ca -0.01 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 3i56 n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i56 s GLU 56 N -2.03 4.23 0.65 1.61 2.12 -1.26 -0.82 118.70 123.20 3i56 s GLU 56 Ca 0.00 0.83 -0.11 0.00 0.36 0.00 0.00 54.97 56.05 3i56 s GLU 56 Cb 0.00 -3.59 -0.02 0.00 0.26 0.00 0.00 34.13 30.77 3i56 s GLU 56 CO 0.00 -0.34 1.05 -1.25 -0.54 0.00 0.00 175.26 174.18 3i56 s PRO 57 N 2.23 3.36 0.23 4.30 0.04 -1.26 -4.36 135.00 139.54 3i56 s PRO 57 Ca 0.33 0.73 -0.11 0.00 0.04 0.00 0.00 61.00 62.00 3i56 s PRO 57 Cb -0.16 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 3i56 s PRO 57 CO 0.10 -0.74 0.57 -1.54 0.04 0.00 0.00 177.00 175.44 3i56 s SER 58 N -4.15 6.66 0.29 6.66 1.04 -1.26 -4.90 113.70 118.04 3i56 s SER 58 Ca 0.56 0.98 0.03 0.00 0.48 0.00 0.00 55.95 57.99 3i56 s SER 58 Cb -0.11 -2.25 0.70 0.00 0.10 0.00 0.00 66.02 64.46 3i56 s SER 58 CO 0.54 -0.08 1.68 -0.61 0.98 0.00 0.00 173.24 175.75 3i56 h GLN 59 N 2.59 0.32 -0.49 4.02 5.75 -1.97 0.15 115.11 125.47 3i56 h GLN 59 Ca -0.47 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 3i56 h GLN 59 Cb 1.17 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.63 3i56 h GLN 59 CO 0.68 0.21 0.31 0.93 -2.65 0.00 0.00 178.83 178.31 3i56 h GLU 60 N 0.33 0.66 -0.13 1.69 5.08 -2.00 -2.30 114.58 117.91 3i56 h GLU 60 Ca 0.55 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.62 3i56 h GLU 60 Cb 1.06 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.18 3i56 h GLU 60 CO -0.56 0.47 -0.81 1.15 -1.00 0.00 0.00 179.01 178.25 3i56 h THR 61 N 0.66 1.28 -0.82 1.13 2.02 -1.54 -2.60 112.91 113.03 3i56 h THR 61 Ca 0.18 -2.01 -0.02 0.00 0.77 0.00 0.00 66.41 65.33 3i56 h THR 61 Cb -0.03 2.05 -0.04 0.00 -1.74 0.00 0.00 68.15 68.38 3i56 h THR 61 CO -0.04 0.63 0.45 0.25 0.37 0.00 0.00 175.52 177.19 3i56 h LEU 62 N 0.51 1.02 -0.18 2.58 5.85 -0.69 -1.64 115.31 122.76 3i56 h LEU 62 Ca -0.07 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 3i56 h LEU 62 Cb 1.45 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3i56 h LEU 62 CO 0.17 0.82 0.10 -0.33 -0.34 0.00 0.00 178.44 178.86 3i56 h GLU 63 N 1.15 0.26 -0.55 1.25 5.08 -1.38 0.10 114.58 120.49 3i56 h GLU 63 Ca 0.29 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.64 3i56 h GLU 63 Cb 0.03 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3i56 h GLU 63 CO -0.05 0.26 0.33 1.15 -1.00 0.00 0.00 179.01 179.71 3i56 h THR 64 N 0.19 1.07 -0.35 1.13 2.02 -1.05 -0.79 112.91 115.14 3i56 h THR 64 Ca 0.06 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 3i56 h THR 64 Cb 0.08 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3i56 h THR 64 CO -0.01 0.12 -0.01 0.58 0.37 0.00 0.00 175.52 176.57 3i56 h VAL 65 N 0.67 1.26 -0.61 3.16 2.07 -1.10 -2.57 116.25 119.14 3i56 h VAL 65 Ca 0.22 -0.99 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 3i56 h VAL 65 Cb 0.00 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3i56 h VAL 65 CO -0.09 0.33 0.10 -0.07 0.02 0.00 0.00 177.57 177.86 3i56 h LEU 66 N 0.43 0.94 -0.14 2.57 3.38 -0.62 0.32 115.31 122.18 3i56 h LEU 66 Ca 0.10 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3i56 h LEU 66 Cb 0.47 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3i56 h LEU 66 CO 0.02 0.93 0.05 0.00 0.09 0.00 0.00 178.44 179.53 3i56 h ALA 67 N 1.18 0.18 0.22 1.53 0.00 -1.06 -2.43 119.26 118.87 3i56 h ALA 67 Ca 0.19 -0.12 -0.34 0.00 0.00 0.00 0.00 54.91 54.64 3i56 h ALA 67 Cb 0.40 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.16 3i56 h ALA 67 CO 0.01 -0.21 -1.57 0.00 0.00 0.00 0.00 179.25 177.48 3i56 h THR 68 N 0.05 1.16 -0.01 0.00 1.03 -1.35 -3.41 112.91 110.39 3i56 h THR 68 Ca 0.05 -2.66 0.00 0.00 -0.01 0.00 0.00 66.41 63.79 3i56 h THR 68 Cb 0.21 2.93 0.00 0.00 -1.07 0.00 0.00 68.15 70.22 3i56 h THR 68 CO -0.00 0.83 -0.22 0.54 -0.01 0.00 0.00 175.52 176.67 3i56 n ARG 69 N -3.65 2.20 -2.62 0.00 5.12 0.11 -5.01 116.66 112.81 3i56 n ARG 69 Ca -0.19 -0.56 -0.39 0.00 -1.93 0.00 0.00 57.85 54.78 3i56 n ARG 69 Cb 1.09 -1.07 -0.05 0.00 -1.16 0.00 0.00 32.46 31.27 3i56 n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i56 s ALA 70 N -1.36 3.30 0.14 7.54 0.00 -0.92 -3.95 121.76 126.52 3i56 s ALA 70 Ca 0.08 0.72 0.06 0.00 0.00 0.00 0.00 51.96 52.82 3i56 s ALA 70 Cb 0.08 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 3i56 s ALA 70 CO 0.25 -0.00 -0.13 -1.21 0.00 0.00 0.00 175.76 174.66 3i56 s GLU 71 N -1.64 1.09 1.20 0.00 2.02 -1.26 -4.18 118.70 115.94 3i56 s GLU 71 Ca 0.47 -1.35 -0.20 0.00 0.02 0.00 0.00 54.97 53.91 3i56 s GLU 71 Cb -0.26 -0.90 0.29 0.00 0.10 0.00 0.00 34.13 33.36 3i56 s GLU 71 CO 0.33 0.16 1.13 -2.14 0.02 0.00 0.00 175.26 174.76 3i56 s PRO 72 N -3.07 -1.22 0.56 0.39 0.02 -1.26 -1.36 135.00 129.05 3i56 s PRO 72 Ca 0.13 -0.15 0.34 0.00 0.02 0.00 0.00 61.00 61.34 3i56 s PRO 72 Cb -0.03 -1.60 1.59 0.00 0.02 0.00 0.00 34.50 34.48 3i56 s PRO 72 CO 0.03 -3.70 2.08 1.25 -0.33 0.00 0.00 177.00 176.34 3i56 h LEU 73 N -2.57 0.00 -7.15 -5.54 5.85 -1.29 -3.19 115.31 101.42 3i56 h LEU 73 Ca -0.44 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.21 3i56 h LEU 73 Cb 1.28 0.00 -0.24 0.00 0.37 0.00 0.00 40.66 42.07 3i56 h LEU 73 CO 0.32 0.06 -0.16 -1.61 -0.34 0.00 0.00 178.44 176.71 3i56 s GLU 74 N -3.92 0.53 0.00 1.25 2.02 -1.26 -4.82 118.70 112.51 3i56 s GLU 74 Ca -0.01 0.91 0.00 0.00 0.02 0.00 0.00 54.97 55.89 3i56 s GLU 74 Cb 0.11 0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.43 3i56 s GLU 74 CO 0.53 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 176.09 3i56 n GLY 75 N 3.97 2.27 0.17 -1.39 0.00 -1.26 -4.84 105.19 104.11 3i56 n GLY 75 Ca -0.20 -1.98 0.05 0.00 0.00 0.00 0.00 46.02 43.88 3i56 n GLY 75 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i56 h ASP 76 N 0.00 0.00 -0.71 1.61 3.32 -2.02 -3.38 116.42 115.24 3i56 h ASP 76 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 3i56 h ASP 76 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 3i56 h ASP 76 CO 0.00 0.42 0.38 0.00 -1.72 0.00 0.00 179.24 178.31 3i56 n ALA 77 N -2.24 -1.41 -2.01 3.45 0.00 -1.26 -4.91 120.51 112.13 3i56 n ALA 77 Ca 0.01 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.41 3i56 n ALA 77 Cb 0.62 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 3i56 n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i56 s ASP 78 N 1.58 6.96 -0.62 0.00 -0.00 -1.26 -4.36 116.67 118.98 3i56 s ASP 78 Ca 0.72 2.35 -0.20 0.00 -0.00 0.00 0.00 52.55 55.42 3i56 s ASP 78 Cb -1.02 -2.61 0.10 0.00 -0.00 0.00 0.00 42.92 39.39 3i56 s ASP 78 CO 0.53 -0.47 0.79 -0.69 -0.00 0.00 0.00 175.17 175.33 3i56 s VAL 79 N 0.00 4.69 0.29 -1.27 1.01 -1.26 -4.76 120.40 119.10 3i56 s VAL 79 Ca 0.55 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.69 3i56 s VAL 79 Cb -0.35 -4.55 0.01 0.00 0.00 0.00 0.00 36.38 31.48 3i56 s VAL 79 CO 0.38 -1.23 0.07 -0.90 0.00 0.00 0.00 175.10 173.42 3i56 n ASP 80 N 6.70 2.54 -0.19 3.32 5.68 -1.26 -4.46 116.55 128.88 3i56 n ASP 80 Ca -0.07 -2.18 0.00 0.00 -0.50 0.00 0.00 54.79 52.04 3i56 n ASP 80 Cb 0.43 0.13 0.25 0.00 -1.14 0.00 0.00 41.12 40.80 3i56 n ASP 80 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3i56 h ASP 81 N 0.59 0.82 -0.13 -1.12 3.32 -1.94 -1.56 116.42 116.41 3i56 h ASP 81 Ca -0.22 -0.04 -0.13 0.00 0.02 0.00 0.00 57.03 56.66 3i56 h ASP 81 Cb 0.71 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3i56 h ASP 81 CO 0.36 0.62 -0.37 -0.08 -1.72 0.00 0.00 179.24 178.05 3i56 h GLU 82 N 0.96 0.65 0.03 3.56 4.81 -1.96 -1.25 114.58 121.38 3i56 h GLU 82 Ca 0.25 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3i56 h GLU 82 Cb -0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3i56 h GLU 82 CO -0.05 0.92 -0.02 2.35 -0.73 0.00 0.00 179.01 181.48 3i56 h TRP 83 N 0.54 -0.04 0.05 0.92 7.01 -1.75 -2.51 115.95 120.16 3i56 h TRP 83 Ca 0.05 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.08 3i56 h TRP 83 Cb 0.89 0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 27.91 3i56 h TRP 83 CO 0.04 0.31 -0.43 0.28 -2.79 0.00 0.00 178.44 175.85 3i56 h VAL 84 N -0.40 0.14 -0.77 2.65 2.07 -1.23 -2.08 116.25 116.64 3i56 h VAL 84 Ca -0.00 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.69 3i56 h VAL 84 Cb 0.37 0.14 -0.12 0.00 -1.52 0.00 0.00 31.29 30.16 3i56 h VAL 84 CO 0.01 0.00 0.15 0.00 0.02 0.00 0.00 177.57 177.75 3i56 h ALA 85 N -0.11 0.98 0.00 1.67 0.00 -1.21 0.23 119.26 120.82 3i56 h ALA 85 Ca 0.03 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3i56 h ALA 85 Cb 0.67 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3i56 h ALA 85 CO -0.29 -0.38 -0.13 0.93 0.00 0.00 0.00 179.25 179.38 3i56 h GLU 86 N 0.22 0.00 0.00 0.00 5.08 -1.16 -3.39 114.58 115.33 3i56 h GLU 86 Ca 0.44 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.77 3i56 h GLU 86 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3i56 h GLU 86 CO -0.57 0.13 -1.18 0.72 -1.00 0.00 0.00 179.01 177.10 3i56 n HIS 87 N -3.14 0.00 -2.99 4.33 8.25 -0.71 -5.09 115.22 115.88 3i56 n HIS 87 Ca 0.03 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.29 3i56 n HIS 87 Cb 0.57 -0.12 0.07 0.00 1.12 0.00 0.00 29.99 31.63 3i56 n HIS 87 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3i56 s THR 88 N -2.13 2.15 -2.18 1.59 2.01 0.72 -4.94 115.64 112.85 3i56 s THR 88 Ca -0.01 -0.96 0.17 0.00 0.31 0.00 0.00 61.69 61.20 3i56 s THR 88 Cb 0.01 -2.19 0.41 0.00 0.01 0.00 0.00 72.50 70.74 3i56 s THR 88 CO 0.13 0.00 1.44 0.47 -0.69 0.00 0.00 174.62 175.97 3i56 n ASP 89 N -2.30 1.87 -2.98 3.53 8.00 -1.26 -4.83 116.55 118.57 3i56 n ASP 89 Ca 0.16 -1.83 -0.10 0.00 0.71 0.00 0.00 54.79 53.73 3i56 n ASP 89 Cb 0.61 -0.17 -0.01 0.00 -0.02 0.00 0.00 41.12 41.54 3i56 n ASP 89 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i56 n TYR 90 N 0.47 -0.57 -0.12 1.24 4.02 -1.26 -5.09 117.16 115.85 3i56 n TYR 90 Ca 0.15 -0.85 -0.24 0.00 -0.01 0.00 0.00 57.90 56.95 3i56 n TYR 90 Cb 0.34 -0.14 -0.11 0.00 -0.02 0.00 0.00 39.34 39.40 3i56 n TYR 90 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3i56 n ASP 91 N -1.62 1.97 -1.48 7.72 8.00 -1.26 -4.47 116.55 125.41 3i56 n ASP 91 Ca -0.03 0.12 -0.04 0.00 0.71 0.00 0.00 54.79 55.54 3i56 n ASP 91 Cb 0.22 -0.64 -0.02 0.00 -0.02 0.00 0.00 41.12 40.66 3i56 n ASP 91 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3i56 n ASP 92 N -3.76 -0.18 -0.33 -2.24 5.75 -1.26 -3.87 116.55 110.65 3i56 n ASP 92 Ca -0.48 -1.47 -0.04 0.00 -0.01 0.00 0.00 54.79 52.79 3i56 n ASP 92 Cb 0.93 0.41 0.09 0.00 -1.03 0.00 0.00 41.12 41.52 3i56 n ASP 92 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3i56 h ILE 93 N 1.23 1.26 -0.73 2.12 2.04 -1.86 -2.75 117.51 118.82 3i56 h ILE 93 Ca -0.05 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.23 3i56 h ILE 93 Cb 0.26 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.33 3i56 h ILE 93 CO 0.08 0.28 0.48 0.28 0.00 0.00 0.00 178.15 179.27 3i56 h SER 94 N 1.25 0.79 0.30 1.72 0.02 -1.96 0.17 113.55 115.84 3i56 h SER 94 Ca 0.32 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.15 3i56 h SER 94 Cb -0.00 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3i56 h SER 94 CO -0.05 0.56 -0.44 1.23 -1.14 0.00 0.00 176.83 176.99 3i56 h GLY 95 N 0.93 0.19 0.53 -3.77 0.00 -1.89 -0.60 103.07 98.46 3i56 h GLY 95 Ca 0.28 -0.19 -0.12 0.00 0.00 0.00 0.00 47.33 47.30 3i56 h GLY 95 CO -0.07 0.17 -0.49 -2.00 0.00 0.00 0.00 176.54 174.15 3i56 h LEU 96 N 0.15 0.34 -1.29 3.11 5.85 -1.17 -3.14 115.31 119.16 3i56 h LEU 96 Ca 0.01 -0.88 0.04 0.00 0.84 0.00 0.00 57.88 57.89 3i56 h LEU 96 Cb 0.84 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 3i56 h LEU 96 CO 0.07 1.19 0.50 0.00 -0.34 0.00 0.00 178.44 179.85 3i56 h ALA 97 N 0.16 1.56 -0.26 1.25 0.00 -0.59 -0.59 119.26 120.78 3i56 h ALA 97 Ca -0.08 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3i56 h ALA 97 Cb 1.31 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3i56 h ALA 97 CO 0.09 0.36 -0.29 0.35 0.00 0.00 0.00 179.25 179.76 3i56 h PHE 98 N 0.91 0.61 -0.18 0.00 3.57 -1.19 -2.49 116.94 118.17 3i56 h PHE 98 Ca 0.31 -0.14 -0.17 0.00 3.53 0.00 0.00 57.97 61.49 3i56 h PHE 98 Cb 0.07 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 3i56 h PHE 98 CO -0.00 0.77 -0.60 0.00 -2.23 0.00 0.00 178.31 176.25 3i56 h ALA 99 N 1.23 0.61 -0.45 2.41 0.00 -1.12 -1.63 119.26 120.32 3i56 h ALA 99 Ca 0.06 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 3i56 h ALA 99 Cb 0.74 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3i56 h ALA 99 CO 0.06 0.70 -0.16 -0.07 0.00 0.00 0.00 179.25 179.77 3i56 h LEU 100 N 0.44 0.86 -0.22 0.00 3.38 -1.03 0.12 115.31 118.87 3i56 h LEU 100 Ca -0.00 -0.29 -0.21 0.00 0.09 0.00 0.00 57.88 57.47 3i56 h LEU 100 Cb 1.17 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.69 3i56 h LEU 100 CO 0.11 1.02 -0.72 -0.07 0.09 0.00 0.00 178.44 178.87 3i56 h LEU 101 N 0.76 0.92 -0.35 1.67 3.38 -1.42 -3.00 115.31 117.27 3i56 h LEU 101 Ca 0.11 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3i56 h LEU 101 Cb 0.69 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3i56 h LEU 101 CO 0.05 1.37 0.00 -1.54 0.09 0.00 0.00 178.44 178.41 3i56 n SER 102 N -3.94 0.53 -3.66 -0.43 3.41 -0.62 -4.19 113.62 104.72 3i56 n SER 102 Ca -0.06 -1.36 -0.23 0.00 -0.26 0.00 0.00 58.87 56.95 3i56 n SER 102 Cb 0.72 -0.02 0.06 0.00 -0.26 0.00 0.00 64.21 64.70 3i56 n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i56 n GLU 103 N -0.50 -6.34 -0.02 4.33 1.02 -0.68 -4.93 120.64 113.51 3i56 n GLU 103 Ca 0.18 0.73 -0.07 0.00 -0.02 0.00 0.00 57.16 57.98 3i56 n GLU 103 Cb 0.17 -5.62 -0.13 0.00 -0.02 0.00 0.00 31.44 25.84 3i56 n GLU 103 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3i56 n GLU 104 N -4.54 0.63 -3.94 3.49 4.07 -0.06 -5.01 120.64 115.29 3i56 n GLU 104 Ca -0.13 0.25 -0.09 0.00 -0.06 0.00 0.00 57.16 57.14 3i56 n GLU 104 Cb 0.61 -1.77 -0.04 0.00 -0.06 0.00 0.00 31.44 30.17 3i56 n GLU 104 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 3i56 s THR 105 N -2.66 0.00 0.33 6.31 -1.32 -1.24 -5.06 115.64 111.99 3i56 s THR 105 Ca -0.05 -1.24 0.10 0.00 -1.21 0.00 0.00 61.69 59.29 3i56 s THR 105 Cb 0.08 -2.09 -0.06 0.00 -1.51 0.00 0.00 72.50 68.92 3i56 s THR 105 CO 0.82 -0.01 -0.09 0.42 -2.21 0.00 0.00 174.62 173.55 3i56 s THR 106 N -3.98 2.41 0.31 5.08 -4.23 -1.26 -4.42 115.64 109.55 3i56 s THR 106 Ca 0.18 -2.18 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 3i56 s THR 106 Cb -0.02 -2.63 0.19 0.00 1.34 0.00 0.00 72.50 71.38 3i56 s THR 106 CO 0.07 -0.24 1.89 -0.07 -0.54 0.00 0.00 174.62 175.74 3i56 h LEU 107 N 2.01 0.70 -0.40 4.79 3.38 -1.91 -2.63 115.31 121.25 3i56 h LEU 107 Ca -0.42 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.37 3i56 h LEU 107 Cb 1.25 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3i56 h LEU 107 CO 0.68 0.65 -0.11 -0.09 0.09 0.00 0.00 178.44 179.66 3i56 h ARG 108 N 0.76 0.79 0.00 1.13 2.43 -1.85 0.16 114.38 117.80 3i56 h ARG 108 Ca 0.18 -0.31 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3i56 h ARG 108 Cb 0.18 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3i56 h ARG 108 CO -0.01 0.92 -0.01 0.93 -1.51 0.00 0.00 179.97 180.29 3i56 h GLU 109 N 0.60 0.00 -0.32 0.20 5.08 -1.78 -1.57 114.58 116.80 3i56 h GLU 109 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3i56 h GLU 109 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3i56 h GLU 109 CO 0.04 0.01 0.00 1.04 -1.00 0.00 0.00 179.01 179.10 3i56 n GLN 110 N -3.23 2.20 -1.16 2.33 1.13 -1.07 -4.97 117.38 112.63 3i56 n GLN 110 Ca -0.02 -2.01 0.00 0.00 -1.94 0.00 0.00 57.00 53.03 3i56 n GLN 110 Cb 0.11 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.08 3i56 n GLN 110 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i56 n GLY 111 N 1.06 0.46 3.65 1.08 0.00 -0.59 -4.68 105.19 106.16 3i56 n GLY 111 Ca 0.15 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 3i56 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i56 s LEU 112 N 0.00 3.27 0.28 0.99 1.43 0.53 -0.96 118.68 124.22 3i56 s LEU 112 Ca 0.00 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 52.44 3i56 s LEU 112 Cb 0.00 -1.96 -0.10 0.00 0.03 0.00 0.00 46.19 44.16 3i56 s LEU 112 CO 0.00 0.12 1.37 -0.55 0.23 0.00 0.00 176.35 177.52 3i56 s SER 113 N -2.70 6.72 0.00 2.29 0.15 -0.47 -3.17 113.70 116.52 3i56 s SER 113 Ca 0.26 2.65 0.13 0.00 0.70 0.00 0.00 55.95 59.69 3i56 s SER 113 Cb -0.10 -2.63 0.78 0.00 -1.71 0.00 0.00 66.02 62.36 3i56 s SER 113 CO 0.17 -0.62 1.22 -2.65 1.20 0.00 0.00 173.24 172.56 3i56 n PRO 114 N 1.74 0.53 -5.02 5.44 -0.02 -1.26 -4.65 135.00 131.76 3i56 n PRO 114 Ca 0.04 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.20 3i56 n PRO 114 Cb 0.41 -1.39 -0.17 0.00 -0.02 0.00 0.00 33.50 32.34 3i56 n PRO 114 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i56 s THR 115 N -2.00 1.98 -0.52 3.45 2.01 -1.26 -4.39 115.64 114.91 3i56 s THR 115 Ca 0.20 -0.96 -0.11 0.00 0.31 0.00 0.00 61.69 61.12 3i56 s THR 115 Cb 0.09 -1.73 0.13 0.00 0.01 0.00 0.00 72.50 71.00 3i56 s THR 115 CO 0.15 0.54 0.43 -0.76 -0.69 0.00 0.00 174.62 174.29 3i56 s LEU 116 N 0.50 5.91 -0.92 4.42 1.43 0.16 -4.64 118.68 125.54 3i56 s LEU 116 Ca -0.15 -1.97 -0.24 0.00 -1.03 0.00 0.00 54.13 50.73 3i56 s LEU 116 Cb -0.17 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 43.97 3i56 s LEU 116 CO 0.06 -0.72 1.66 -0.13 0.23 0.00 0.00 176.35 177.44 3i56 s ARG 117 N 1.29 3.08 0.94 1.70 0.52 -1.25 -0.88 118.95 124.34 3i56 s ARG 117 Ca 0.06 -0.60 -0.12 0.00 -0.52 0.00 0.00 55.73 54.55 3i56 s ARG 117 Cb -0.26 -5.09 0.15 0.00 0.52 0.00 0.00 34.95 30.28 3i56 s ARG 117 CO -0.00 -2.71 1.11 -0.51 0.02 0.00 0.00 175.30 173.21 3i56 s LEU 118 N 7.35 1.91 0.26 2.53 1.43 -0.99 -4.94 118.68 126.22 3i56 s LEU 118 Ca 0.56 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 3i56 s LEU 118 Cb -0.04 -3.44 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 3i56 s LEU 118 CO -0.02 -2.76 0.44 -2.28 0.23 0.00 0.00 176.35 171.96 3i56 s HIS 119 N -3.10 3.48 0.54 0.29 5.65 -1.12 -4.82 115.29 116.21 3i56 s HIS 119 Ca 0.64 0.31 -0.22 0.00 0.25 0.00 0.00 55.06 56.04 3i56 s HIS 119 Cb -0.17 -1.84 -0.05 0.00 -1.18 0.00 0.00 32.58 29.34 3i56 s HIS 119 CO 0.56 0.30 1.36 -2.30 -0.65 0.00 0.00 174.74 174.01 3i56 n PRO 120 N -1.13 1.74 -1.67 2.88 -0.02 -1.26 -4.51 135.00 131.02 3i56 n PRO 120 Ca -0.05 0.64 -0.44 0.00 -2.02 0.00 0.00 63.50 61.63 3i56 n PRO 120 Cb 0.55 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 3i56 n PRO 120 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3i56 n PRO 121 N -0.93 2.69 -2.22 0.52 -0.04 -1.26 -4.60 135.00 129.15 3i56 n PRO 121 Ca 0.10 0.98 -0.43 0.00 -0.04 0.00 0.00 63.50 64.12 3i56 n PRO 121 Cb 0.44 -2.89 -0.02 0.00 -0.04 0.00 0.00 33.50 30.98 3i56 n PRO 121 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3i56 s ARG 122 N 3.77 4.16 0.00 0.54 0.52 -0.24 -1.12 118.95 126.57 3i56 s ARG 122 Ca 0.87 1.86 0.00 0.00 -0.52 0.00 0.00 55.73 57.95 3i56 s ARG 122 Cb -0.51 -3.89 0.00 0.00 0.52 0.00 0.00 34.95 31.07 3i56 s ARG 122 CO 0.43 -0.84 0.00 0.41 0.02 0.00 0.00 175.30 175.32 3i56 n GLY 123 N 3.95 0.80 0.26 -3.53 0.00 -1.26 -4.91 105.19 100.51 3i56 n GLY 123 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.21 3i56 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i56 n GLY 124 N -2.00 -2.15 4.00 -0.02 0.00 -0.28 -5.01 105.19 99.74 3i56 n GLY 124 Ca 0.00 -1.42 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 3i56 n GLY 124 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i56 n HIS 125 N -2.78 -2.68 1.81 1.61 1.44 -1.26 -4.92 115.22 108.42 3i56 n HIS 125 Ca -0.01 -1.95 0.11 0.00 -2.01 0.00 0.00 57.72 53.87 3i56 n HIS 125 Cb 0.12 -0.68 0.60 0.00 0.12 0.00 0.00 29.99 30.15 3i56 n HIS 125 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3i56 n ASP 126 N -2.68 0.46 0.00 4.39 8.00 -1.26 -4.98 116.55 120.47 3i56 n ASP 126 Ca 0.17 -1.39 0.00 0.00 0.71 0.00 0.00 54.79 54.28 3i56 n ASP 126 Cb 0.61 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 3i56 n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i56 n GLY 127 N 0.94 3.26 1.74 0.44 0.00 -1.26 -4.20 105.19 106.12 3i56 n GLY 127 Ca 0.17 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 3i56 n GLY 127 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i56 n VAL 128 N 0.11 2.87 0.00 1.61 0.24 -1.26 -0.96 118.33 120.94 3i56 n VAL 128 Ca 0.00 -2.08 0.00 0.00 -2.04 0.00 0.00 64.34 60.22 3i56 n VAL 128 Cb 0.00 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 31.99 3i56 n VAL 128 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3i56 n LYS 129 N -0.81 2.69 -4.19 7.34 5.02 -1.26 -5.01 118.16 121.93 3i56 n LYS 129 Ca 0.44 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.55 3i56 n LYS 129 Cb 1.35 -0.79 -0.12 0.00 -0.02 0.00 0.00 35.03 35.45 3i56 n LYS 129 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3i56 s HIS 130 N -1.57 1.26 0.69 2.13 3.76 -1.26 -5.10 115.29 115.20 3i56 s HIS 130 Ca 0.00 -0.51 -0.12 0.00 -0.15 0.00 0.00 55.06 54.28 3i56 s HIS 130 Cb 0.00 -0.69 0.16 0.00 1.11 0.00 0.00 32.58 33.16 3i56 s HIS 130 CO 0.00 0.08 0.83 -0.35 -0.85 0.00 0.00 174.74 174.45 3i56 n PRO 131 N 0.96 -1.31 0.00 8.40 -0.04 -1.26 -2.74 135.00 139.02 3i56 n PRO 131 Ca -0.19 -1.29 -0.07 0.00 -0.04 0.00 0.00 63.50 61.91 3i56 n PRO 131 Cb 0.55 -0.95 0.12 0.00 -0.04 0.00 0.00 33.50 33.18 3i56 n PRO 131 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3i56 h VAL 132 N -1.74 1.30 0.00 0.52 2.07 -1.61 0.90 116.25 117.69 3i56 h VAL 132 Ca -0.28 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 65.67 3i56 h VAL 132 Cb 0.79 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 3i56 h VAL 132 CO 0.19 0.49 0.00 0.29 0.02 0.00 0.00 177.57 178.57 3i56 n LYS 133 N -4.03 0.18 -0.13 1.57 5.02 -1.26 -1.65 118.16 117.87 3i56 n LYS 133 Ca -0.02 0.43 0.06 0.00 -2.02 0.00 0.00 58.31 56.77 3i56 n LYS 133 Cb 0.52 -1.85 0.13 0.00 -0.02 0.00 0.00 35.03 33.80 3i56 n LYS 133 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i56 n GLU 134 N -2.19 2.09 -0.51 1.97 1.02 -1.12 -4.98 120.64 116.92 3i56 n GLU 134 Ca 0.02 -1.80 0.00 0.00 -0.02 0.00 0.00 57.16 55.35 3i56 n GLU 134 Cb 0.21 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 3i56 n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i56 n GLY 135 N 0.67 0.70 0.00 0.62 0.00 -0.66 -4.86 105.19 101.66 3i56 n GLY 135 Ca 0.11 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3i56 n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i56 n GLY 136 N -2.51 2.46 0.11 -0.02 0.00 0.31 -4.68 105.19 100.86 3i56 n GLY 136 Ca 0.00 -2.01 0.03 0.00 0.00 0.00 0.00 46.02 44.04 3i56 n GLY 136 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i56 n GLN 137 N 0.00 1.34 -3.72 1.61 -0.06 -0.13 -4.10 117.38 112.32 3i56 n GLN 137 Ca 0.00 -1.50 -0.33 0.00 -2.00 0.00 0.00 57.00 53.18 3i56 n GLN 137 Cb 0.00 -0.94 -0.05 0.00 -4.06 0.00 0.00 30.24 25.19 3i56 n GLN 137 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3i56 s LEU 138 N -1.13 4.33 0.00 1.69 1.43 -1.17 -4.57 118.68 119.27 3i56 s LEU 138 Ca 0.09 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 3i56 s LEU 138 Cb 0.08 -2.99 0.00 0.00 0.03 0.00 0.00 46.19 43.31 3i56 s LEU 138 CO 0.01 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.35 3i56 n GLY 139 N 0.60 -1.03 3.75 -3.19 0.00 -0.65 -2.30 105.19 102.36 3i56 n GLY 139 Ca -0.07 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 3i56 n GLY 139 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i56 s LYS 140 N 0.00 4.56 0.38 1.61 2.20 -1.26 -1.47 119.74 125.76 3i56 s LYS 140 Ca 0.00 1.83 0.08 0.00 -0.36 0.00 0.00 55.97 57.52 3i56 s LYS 140 Cb 0.00 -3.22 -0.07 0.00 -1.51 0.00 0.00 37.83 33.03 3i56 s LYS 140 CO 0.00 0.05 -0.03 -1.01 -0.36 0.00 0.00 175.35 174.00 3i56 s HIS 141 N -0.56 2.43 0.71 4.03 3.76 0.84 -4.70 115.29 121.80 3i56 s HIS 141 Ca 0.49 -0.62 -0.11 0.00 -0.15 0.00 0.00 55.06 54.66 3i56 s HIS 141 Cb -0.32 -1.59 0.02 0.00 1.11 0.00 0.00 32.58 31.80 3i56 s HIS 141 CO 0.39 0.48 1.09 -0.51 -0.85 0.00 0.00 174.74 175.33 3i56 s ASP 142 N -3.65 5.35 0.30 1.40 1.01 -1.26 -4.61 116.67 115.21 3i56 s ASP 142 Ca 0.34 1.23 0.07 0.00 0.71 0.00 0.00 52.55 54.90 3i56 s ASP 142 Cb 0.07 -2.05 0.48 0.00 1.01 0.00 0.00 42.92 42.42 3i56 s ASP 142 CO 0.17 -1.41 1.71 0.74 0.21 0.00 0.00 175.17 176.59 3i56 h THR 143 N -0.70 1.30 0.00 -1.27 2.02 -1.98 0.04 112.91 112.32 3i56 h THR 143 Ca -0.45 -1.49 -0.17 0.00 0.77 0.00 0.00 66.41 65.07 3i56 h THR 143 Cb 1.25 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 3i56 h THR 143 CO 0.62 0.44 -0.81 -0.08 0.37 0.00 0.00 175.52 176.06 3i56 h GLU 144 N 0.19 0.00 -0.08 6.66 4.81 -1.93 -3.10 114.58 121.13 3i56 h GLU 144 Ca 0.02 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.02 3i56 h GLU 144 Cb 0.79 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.18 3i56 h GLU 144 CO 0.06 0.81 -0.87 0.78 -0.73 0.00 0.00 179.01 179.06 3i56 h GLY 145 N 3.17 0.71 1.80 1.92 0.00 -1.77 -3.03 103.07 105.87 3i56 h GLY 145 Ca -0.01 -1.11 -0.15 0.00 0.00 0.00 0.00 47.33 46.06 3i56 h GLY 145 CO 0.11 0.98 -0.65 1.19 0.00 0.00 0.00 176.54 178.17 3i56 h ILE 146 N 0.41 1.41 -0.44 2.60 -0.00 -1.09 -3.13 117.51 117.27 3i56 h ILE 146 Ca -0.07 -2.10 -0.03 0.00 -0.00 0.00 0.00 64.86 62.67 3i56 h ILE 146 Cb 1.50 2.09 -0.02 0.00 -0.00 0.00 0.00 36.82 40.38 3i56 h ILE 146 CO 0.17 0.61 0.18 0.44 -0.00 0.00 0.00 178.15 179.55 3i56 h ASP 147 N 0.15 0.61 -0.81 2.19 3.32 -1.58 0.19 116.42 120.48 3i56 h ASP 147 Ca -0.01 -0.17 0.09 0.00 0.02 0.00 0.00 57.03 56.96 3i56 h ASP 147 Cb 1.17 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.50 3i56 h ASP 147 CO 0.10 0.61 0.53 0.44 -1.72 0.00 0.00 179.24 179.20 3i56 h ASP 148 N 0.57 0.72 0.06 6.45 5.19 -1.48 0.51 116.42 128.44 3i56 h ASP 148 Ca 0.15 0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.50 3i56 h ASP 148 Cb 0.19 -0.14 0.01 0.00 0.18 0.00 0.00 39.33 39.57 3i56 h ASP 148 CO -0.01 0.44 -0.33 0.25 -3.12 0.00 0.00 179.24 176.47 3i56 h LEU 149 N 0.80 0.19 -1.22 1.55 5.85 -1.44 -2.52 115.31 118.52 3i56 h LEU 149 Ca 0.37 -0.97 -0.03 0.00 0.84 0.00 0.00 57.88 58.09 3i56 h LEU 149 Cb 0.37 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3i56 h LEU 149 CO -0.14 1.15 0.22 -0.07 -0.34 0.00 0.00 178.44 179.26 3i56 h LEU 150 N -0.73 0.69 -0.30 2.25 3.38 -0.08 -1.50 115.31 119.01 3i56 h LEU 150 Ca -0.06 -0.08 -0.20 0.00 0.09 0.00 0.00 57.88 57.63 3i56 h LEU 150 Cb 1.25 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3i56 h LEU 150 CO 0.06 0.62 -0.85 -0.33 0.09 0.00 0.00 178.44 178.03 3i56 h GLU 151 N 0.75 0.30 0.00 1.13 5.08 -0.10 -2.95 114.58 118.79 3i56 h GLU 151 Ca 0.18 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3i56 h GLU 151 Cb 0.14 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3i56 h GLU 151 CO -0.02 0.98 0.00 0.00 -1.00 0.00 0.00 179.01 178.98 3i56 h ALA 152 N 0.92 1.00 -0.70 3.43 0.00 -1.02 -2.78 119.26 120.10 3i56 h ALA 152 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.49 3i56 h ALA 152 Cb 1.46 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 19.03 3i56 h ALA 152 CO 0.14 0.00 0.29 -1.33 0.00 0.00 0.00 179.25 178.35 3i56 n MET 153 N -2.77 2.09 0.00 0.00 2.81 -0.60 -1.08 117.12 117.57 3i56 n MET 153 Ca 0.02 -3.13 0.00 0.00 -1.81 0.00 0.00 57.70 52.78 3i56 n MET 153 Cb 0.35 -2.02 0.00 0.00 -0.71 0.00 0.00 33.22 30.84 3i56 n MET 153 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02