#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1psh h LEU 2 N 0.00 0.47 -0.93 -4.53 5.85 -1.58 -1.04 115.31 113.54 1psh h LEU 2 Ca 0.00 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 1psh h LEU 2 Cb 0.00 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1psh h LEU 2 CO 0.00 0.24 -0.43 1.88 -0.34 0.00 0.00 178.44 179.79 1psh h TYR 3 N 0.60 0.27 -0.37 1.25 0.05 -1.99 -1.39 116.97 115.38 1psh h TYR 3 Ca 0.39 -0.08 -0.16 0.00 0.05 0.00 0.00 58.73 58.94 1psh h TYR 3 Cb 0.47 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 1psh h TYR 3 CO -0.11 0.62 -0.38 1.96 -1.05 0.00 0.00 178.16 179.20 1psh h GLN 4 N 0.19 0.92 -0.45 4.88 4.20 -1.65 -0.49 115.11 122.70 1psh h GLN 4 Ca 0.02 -0.49 -0.03 0.00 0.06 0.00 0.00 58.65 58.21 1psh h GLN 4 Cb 0.84 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 1psh h GLN 4 CO 0.07 1.14 0.18 0.35 -0.67 0.00 0.00 178.83 179.90 1psh h PHE 5 N 0.73 0.69 -0.48 2.96 3.57 -1.01 0.04 116.94 123.44 1psh h PHE 5 Ca 0.06 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1psh h PHE 5 Cb 0.98 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1psh h PHE 5 CO 0.07 0.59 0.29 -0.22 -2.23 0.00 0.00 178.31 176.80 1psh h LYS 6 N 0.59 0.65 -0.10 1.11 3.64 -1.01 -2.15 116.57 119.29 1psh h LYS 6 Ca 0.15 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.33 1psh h LYS 6 Cb 0.19 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1psh h LYS 6 CO -0.01 0.46 -0.59 -0.91 -2.27 0.00 0.00 179.45 176.13 1psh h ASN 7 N 0.66 0.37 -0.56 4.20 2.35 -0.39 -1.77 115.58 120.44 1psh h ASN 7 Ca 0.17 -0.21 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 1psh h ASN 7 Cb -0.02 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1psh h ASN 7 CO -0.03 0.88 -0.00 0.24 -1.65 0.00 0.00 177.43 176.86 1psh h MET 8 N 0.25 0.98 -0.41 0.81 2.86 -0.52 -1.32 114.93 117.59 1psh h MET 8 Ca -0.00 -0.31 -0.07 0.00 -2.06 0.00 0.00 59.70 57.26 1psh h MET 8 Cb 1.10 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.65 1psh h MET 8 CO 0.10 0.99 -0.02 0.82 1.06 0.00 0.00 176.91 179.85 1psh h ILE 9 N 0.87 1.23 -0.20 -1.22 2.04 -1.26 -0.95 117.51 118.02 1psh h ILE 9 Ca 0.16 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 1psh h ILE 9 Cb 0.54 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1psh h ILE 9 CO 0.03 0.33 0.02 0.11 0.00 0.00 0.00 178.15 178.64 1psh h LYS 10 N 0.64 0.29 -0.26 2.37 1.79 -0.75 0.46 116.57 121.10 1psh h LYS 10 Ca 0.13 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.49 1psh h LYS 10 Cb 0.43 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1psh h LYS 10 CO 0.02 0.29 -0.14 0.00 -1.08 0.00 0.00 179.45 178.54 1psh n THR 12 N -4.20 1.23 -3.35 0.00 -1.04 -1.07 -3.83 114.28 102.02 1psh n THR 12 Ca 0.00 -0.56 -0.26 0.00 -2.04 0.00 0.00 64.05 61.20 1psh n THR 12 Cb 0.32 -1.04 -0.08 0.00 -1.82 0.00 0.00 70.33 67.71 1psh n THR 12 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1psh n VAL 13 N -2.98 0.84 0.30 12.58 0.31 0.14 -4.76 118.33 124.76 1psh n VAL 13 Ca -0.35 -4.59 0.17 0.00 -0.01 0.00 0.00 64.34 59.56 1psh n VAL 13 Cb 0.96 -2.02 0.98 0.00 -0.91 0.00 0.00 33.84 32.85 1psh n VAL 13 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1psh h PRO 14 N 4.25 0.00 0.00 5.55 0.13 -1.70 -2.95 132.00 137.28 1psh h PRO 14 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1psh h PRO 14 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1psh h PRO 14 CO 0.65 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.08 1psh h SER 15 N 0.00 0.00 -2.59 1.44 4.64 -1.92 -3.45 113.55 111.67 1psh h SER 15 Ca 0.01 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.76 1psh h SER 15 Cb 0.06 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.06 1psh h SER 15 CO -0.00 0.00 -0.61 -0.13 -0.87 0.00 0.00 176.83 175.22 1psh s ARG 16 N -3.39 2.61 0.29 4.77 0.52 -1.11 -5.12 118.95 117.51 1psh s ARG 16 Ca 0.05 -1.09 0.03 0.00 -0.52 0.00 0.00 55.73 54.20 1psh s ARG 16 Cb 0.08 -2.43 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 1psh s ARG 16 CO 0.57 0.44 0.44 -1.54 0.02 0.00 0.00 175.30 175.23 1psh s SER 17 N -3.28 6.29 0.27 0.23 1.04 -1.26 -4.91 113.70 112.07 1psh s SER 17 Ca 0.30 0.20 -0.01 0.00 0.48 0.00 0.00 55.95 56.93 1psh s SER 17 Cb -0.09 -1.89 0.52 0.00 0.10 0.00 0.00 66.02 64.66 1psh s SER 17 CO 0.21 -0.18 1.80 -0.25 0.98 0.00 0.00 173.24 175.81 1psh h TRP 18 N 0.99 0.95 0.00 5.02 2.91 -1.97 -1.59 115.95 122.27 1psh h TRP 18 Ca -0.51 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.54 1psh h TRP 18 Cb 1.23 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 29.59 1psh h TRP 18 CO 0.47 0.33 0.00 -1.49 -1.03 0.00 0.00 178.44 176.72 1psh h TRP 19 N 0.81 0.00 -0.27 2.65 4.06 -1.99 -0.92 115.95 120.29 1psh h TRP 19 Ca 0.46 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 61.33 1psh h TRP 19 Cb 0.53 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.68 1psh h TRP 19 CO -0.04 0.00 -0.21 -0.44 -3.56 0.00 0.00 178.44 174.18 1psh h ASP 20 N 0.00 0.49 0.62 -3.49 3.32 -1.67 -3.09 116.42 112.60 1psh h ASP 20 Ca 0.00 -0.16 -0.25 0.00 0.02 0.00 0.00 57.03 56.64 1psh h ASP 20 Cb 0.43 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 1psh h ASP 20 CO 0.00 0.71 -1.53 -0.26 -1.72 0.00 0.00 179.24 176.44 1psh h PHE 21 N 0.45 0.00 0.00 4.55 0.04 -1.32 -3.39 116.94 117.26 1psh h PHE 21 Ca 0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1psh h PHE 21 Cb 0.62 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.77 1psh h PHE 21 CO 0.02 0.91 0.00 0.00 -0.60 0.00 0.00 178.31 178.64 1psh h ALA 22 N 1.09 1.00 -0.42 2.45 0.00 -1.12 -2.98 119.26 119.27 1psh h ALA 22 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.39 1psh h ALA 22 Cb 1.89 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 19.30 1psh h ALA 22 CO 0.08 0.00 -0.97 -3.47 0.00 0.00 0.00 179.25 174.89 1psh n ASP 23 N -3.07 2.49 -4.87 0.00 2.03 -1.22 -3.37 116.55 108.54 1psh n ASP 23 Ca -0.02 -2.69 -0.37 0.00 0.52 0.00 0.00 54.79 52.23 1psh n ASP 23 Cb 0.14 -0.42 -0.06 0.00 -0.72 0.00 0.00 41.12 40.06 1psh n ASP 23 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1psh s TYR 24 N -3.15 3.57 0.00 -0.67 6.14 -1.00 -0.81 117.35 121.43 1psh s TYR 24 Ca 0.36 0.51 0.00 0.00 0.64 0.00 0.00 57.07 58.58 1psh s TYR 24 Cb 0.36 -1.93 0.00 0.00 0.42 0.00 0.00 41.96 40.81 1psh s TYR 24 CO -0.04 0.72 0.00 0.41 0.64 0.00 0.00 175.55 177.28 1psh n GLY 25 N 1.97 0.99 0.00 8.97 0.00 -0.21 -2.49 105.19 114.42 1psh n GLY 25 Ca -0.20 -0.66 0.11 0.00 0.00 0.00 0.00 46.02 45.28 1psh n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1psh n TYR 27 N -1.55 0.00 -2.60 0.00 4.02 -1.25 -3.03 117.16 112.75 1psh n TYR 27 Ca 0.05 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.52 1psh n TYR 27 Cb 0.34 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.63 1psh n TYR 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1psh n GLY 29 N 6.37 3.54 3.65 0.00 0.00 -1.22 -2.36 105.19 115.17 1psh n GLY 29 Ca 0.24 -1.57 -0.55 0.00 0.00 0.00 0.00 46.02 44.15 1psh n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1psh n ARG 30 N -1.88 1.14 0.00 1.61 1.74 -1.26 -4.50 116.66 113.50 1psh n ARG 30 Ca 0.00 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 1psh n ARG 30 Cb 0.00 -2.07 0.00 0.00 -1.02 0.00 0.00 32.46 29.37 1psh n ARG 30 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1psh n GLY 31 N 3.36 1.05 0.00 -0.13 0.00 -1.26 -4.98 105.19 103.22 1psh n GLY 31 Ca 0.23 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1psh n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1psh n GLY 32 N 0.00 3.76 3.53 -0.02 0.00 -1.25 -4.57 105.19 106.63 1psh n GLY 32 Ca 0.00 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 1psh n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1psh s SER 33 N 0.00 -0.39 0.00 1.61 1.04 -1.17 -5.00 113.70 109.79 1psh s SER 33 Ca 0.00 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1psh s SER 33 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1psh s SER 33 CO 0.00 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1psh n GLY 34 N -0.32 -1.72 3.67 7.32 0.00 -1.15 -4.58 105.19 108.42 1psh n GLY 34 Ca -0.10 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 1psh n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1psh s THR 35 N 0.00 4.93 0.22 2.61 2.01 -1.26 -4.97 115.64 119.19 1psh s THR 35 Ca 0.00 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 1psh s THR 35 Cb 0.00 -3.22 -0.15 0.00 0.01 0.00 0.00 72.50 69.14 1psh s THR 35 CO 0.00 0.48 1.04 -2.65 -0.69 0.00 0.00 174.62 172.80 1psh n PRO 36 N 3.33 1.13 0.13 4.92 -0.02 -1.26 -4.87 135.00 138.37 1psh n PRO 36 Ca -0.17 0.40 0.13 0.00 -2.02 0.00 0.00 63.50 61.84 1psh n PRO 36 Cb 0.52 -1.80 0.33 0.00 -0.02 0.00 0.00 33.50 32.53 1psh n PRO 36 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1psh h VAL 37 N 2.25 0.00 -1.75 -1.45 -1.51 -1.96 -3.47 116.25 108.36 1psh h VAL 37 Ca -0.40 -0.62 0.02 0.00 -1.23 0.00 0.00 66.70 64.47 1psh h VAL 37 Cb 1.35 1.60 -0.00 0.00 -2.13 0.00 0.00 31.29 32.11 1psh h VAL 37 CO 0.65 0.00 0.08 -0.90 -1.23 0.00 0.00 177.57 176.17 1psh n ASP 38 N -2.48 -0.24 0.17 4.19 5.68 -1.26 -5.02 116.55 117.59 1psh n ASP 38 Ca 0.05 -1.13 0.02 0.00 -0.50 0.00 0.00 54.79 53.22 1psh n ASP 38 Cb 0.46 0.40 0.33 0.00 -1.14 0.00 0.00 41.12 41.16 1psh n ASP 38 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1psh h ASP 39 N 0.27 0.02 -0.09 -1.12 3.32 -1.92 -1.49 116.42 115.41 1psh h ASP 39 Ca -0.04 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 1psh h ASP 39 Cb 0.16 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1psh h ASP 39 CO 0.05 0.42 -0.19 0.25 -1.72 0.00 0.00 179.24 178.04 1psh h LEU 40 N 0.02 0.32 -1.70 1.55 6.46 -1.92 -1.94 115.31 118.10 1psh h LEU 40 Ca -0.00 -0.58 -0.01 0.00 -0.12 0.00 0.00 57.88 57.17 1psh h LEU 40 Cb 0.71 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 1psh h LEU 40 CO 0.05 0.84 0.05 -0.78 -0.62 0.00 0.00 178.44 177.98 1psh h ASP 41 N -0.18 0.21 -0.27 1.25 3.58 -1.89 0.14 116.42 119.25 1psh h ASP 41 Ca 0.00 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.38 1psh h ASP 41 Cb 0.79 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 1psh h ASP 41 CO 0.04 0.22 0.01 -0.09 -2.88 0.00 0.00 179.24 176.54 1psh h ARG 42 N 0.24 0.59 -0.75 0.28 2.43 -0.97 0.13 114.38 116.33 1psh h ARG 42 Ca 0.06 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1psh h ARG 42 Cb 0.08 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 1psh h ARG 42 CO -0.00 0.61 0.49 0.00 -1.51 0.00 0.00 179.97 179.55 1psh h GLN 45 N 0.88 0.62 -0.51 0.00 4.15 -0.79 0.11 115.11 119.57 1psh h GLN 45 Ca 0.14 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 1psh h GLN 45 Cb 0.63 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 1psh h GLN 45 CO 0.04 0.41 0.16 0.28 -1.93 0.00 0.00 178.83 177.79 1psh h VAL 46 N 0.63 1.20 -0.06 2.39 2.07 -1.11 -2.10 116.25 119.26 1psh h VAL 46 Ca 0.22 -0.68 -0.22 0.00 0.82 0.00 0.00 66.70 66.83 1psh h VAL 46 Cb 0.04 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1psh h VAL 46 CO -0.10 0.26 -0.87 -0.74 0.02 0.00 0.00 177.57 176.14 1psh h HIS 47 N 0.73 0.83 -0.73 1.57 -0.00 -0.19 -0.88 115.15 116.48 1psh h HIS 47 Ca 0.17 -0.41 -0.03 0.00 -0.00 0.00 0.00 60.37 60.10 1psh h HIS 47 Cb 0.21 -0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 27.48 1psh h HIS 47 CO 0.01 1.22 0.33 -0.44 -0.00 0.00 0.00 177.93 179.05 1psh h ASP 48 N 0.37 0.97 -0.27 3.26 3.32 -0.58 -1.73 116.42 121.76 1psh h ASP 48 Ca -0.07 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 56.87 1psh h ASP 48 Cb 1.49 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 1psh h ASP 48 CO 0.16 0.85 0.03 -1.13 -1.72 0.00 0.00 179.24 177.43 1psh h ASN 49 N 1.03 -0.05 -0.65 6.45 -1.24 -1.28 -1.65 115.58 118.19 1psh h ASN 49 Ca 0.25 0.05 -0.07 0.00 0.71 0.00 0.00 56.30 57.24 1psh h ASN 49 Cb 0.15 0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.26 1psh h ASN 49 CO -0.03 0.01 0.14 0.00 -1.29 0.00 0.00 177.43 176.26 1psh h TYR 51 N 1.01 0.92 -0.55 0.00 -1.99 -1.03 -0.98 116.97 114.35 1psh h TYR 51 Ca 0.21 -0.09 0.11 0.00 2.00 0.00 0.00 58.73 60.96 1psh h TYR 51 Cb 0.39 -0.27 -0.09 0.00 2.00 0.00 0.00 36.73 38.76 1psh h TYR 51 CO 0.03 0.76 -0.03 -0.91 -0.00 0.00 0.00 178.16 178.01 1psh h ASN 52 N 0.82 -0.29 -0.36 3.88 2.35 -1.04 0.48 115.58 121.42 1psh h ASN 52 Ca 0.19 0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 56.04 1psh h ASN 52 Cb 0.26 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1psh h ASN 52 CO -0.01 -0.11 0.05 -0.33 -1.65 0.00 0.00 177.43 175.38 1psh h GLU 53 N 0.09 0.61 -0.93 0.81 4.39 -1.09 -3.16 114.58 115.29 1psh h GLU 53 Ca 0.28 -0.17 0.08 0.00 0.34 0.00 0.00 59.36 59.89 1psh h GLU 53 Cb 0.43 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.94 1psh h GLU 53 CO -0.48 0.68 0.58 0.00 -1.16 0.00 0.00 179.01 178.63 1psh h ALA 54 N 0.90 1.31 0.00 3.43 0.00 -0.22 -1.60 119.26 123.08 1psh h ALA 54 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1psh h ALA 54 Cb 0.37 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1psh h ALA 54 CO 0.01 0.31 0.00 0.39 0.00 0.00 0.00 179.25 179.96 1psh n GLU 55 N -4.59 0.01 0.00 0.00 1.02 0.07 -1.35 120.64 115.79 1psh n GLU 55 Ca 0.15 0.40 0.14 0.00 -0.02 0.00 0.00 57.16 57.83 1psh n GLU 55 Cb 0.22 -1.50 0.62 0.00 -0.02 0.00 0.00 31.44 30.76 1psh n GLU 55 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1psh n LYS 56 N -1.47 0.18 -2.66 3.49 5.02 -0.60 -4.66 118.16 117.46 1psh n LYS 56 Ca 0.01 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 1psh n LYS 56 Cb 0.04 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 1psh n LYS 56 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1psh s ILE 57 N -2.84 4.74 0.14 -0.18 1.01 -0.46 -4.96 121.20 118.66 1psh s ILE 57 Ca 0.19 1.98 -0.31 0.00 0.00 0.00 0.00 60.65 62.51 1psh s ILE 57 Cb 0.19 -4.27 -0.09 0.00 0.01 0.00 0.00 42.46 38.30 1psh s ILE 57 CO 0.52 0.09 1.49 -0.55 0.00 0.00 0.00 174.94 176.49 1psh s SER 58 N 1.08 6.69 -0.03 3.58 0.15 -1.26 -1.42 113.70 122.49 1psh s SER 58 Ca 0.51 2.48 0.00 0.00 0.70 0.00 0.00 55.95 59.65 1psh s SER 58 Cb -0.21 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 1psh s SER 58 CO 0.24 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.54 1psh n GLY 59 N 3.65 0.47 3.51 9.45 0.00 -1.26 -5.01 105.19 116.01 1psh n GLY 59 Ca 0.13 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1psh n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1psh s TRP 61 N 2.47 3.41 0.23 0.00 0.51 -1.26 -4.40 118.94 119.89 1psh s TRP 61 Ca 0.18 -2.82 -0.14 0.00 -2.12 0.00 0.00 56.10 51.21 1psh s TRP 61 Cb -0.15 -3.08 0.28 0.00 -0.81 0.00 0.00 33.47 29.71 1psh s TRP 61 CO 0.16 -0.85 1.59 -1.35 -0.51 0.00 0.00 176.95 175.99 1psh h PRO 62 N 7.11 -0.03 0.00 4.98 0.11 -1.93 -0.54 132.00 141.69 1psh h PRO 62 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1psh h PRO 62 Cb 0.96 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1psh h PRO 62 CO 0.69 -0.02 0.00 1.88 -0.21 0.00 0.00 178.00 180.34 1psh h TYR 63 N -0.03 0.00 0.00 0.65 0.05 -1.96 -2.93 116.97 112.75 1psh h TYR 63 Ca 0.35 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.13 1psh h TYR 63 Cb 0.57 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.31 1psh h TYR 63 CO -0.65 0.00 -1.19 1.19 -1.05 0.00 0.00 178.16 176.46 1psh n PHE 64 N -2.35 0.00 -2.47 4.88 3.72 -0.41 -1.75 117.46 119.08 1psh n PHE 64 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 1psh n PHE 64 Cb 0.26 -0.18 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 1psh n PHE 64 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1psh s LYS 65 N -2.65 4.38 -0.20 -1.08 2.47 -0.35 -4.75 119.74 117.56 1psh s LYS 65 Ca -0.01 1.67 -0.17 0.00 -1.56 0.00 0.00 55.97 55.91 1psh s LYS 65 Cb 0.09 -3.51 -0.04 0.00 -1.46 0.00 0.00 37.83 32.92 1psh s LYS 65 CO 0.56 -0.38 0.44 0.99 0.16 0.00 0.00 175.35 177.11 1psh s THR 66 N 1.91 5.17 0.32 3.43 2.01 -1.26 0.12 115.64 127.33 1psh s THR 66 Ca 0.56 0.78 0.00 0.00 0.31 0.00 0.00 61.69 63.35 1psh s THR 66 Cb -0.25 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.50 1psh s THR 66 CO 0.24 0.22 0.04 0.00 -0.69 0.00 0.00 174.62 174.43 1psh n TYR 67 N 4.60 0.48 -4.80 4.92 0.18 -1.26 -4.90 117.16 116.38 1psh n TYR 67 Ca -0.07 -1.54 -0.32 0.00 1.88 0.00 0.00 57.90 57.85 1psh n TYR 67 Cb 0.51 -0.22 -0.17 0.00 -0.38 0.00 0.00 39.34 39.08 1psh n TYR 67 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1psh s SER 68 N -2.77 3.12 0.25 9.48 0.15 -1.26 -4.97 113.70 117.70 1psh s SER 68 Ca 0.03 -0.59 -0.13 0.00 0.70 0.00 0.00 55.95 55.95 1psh s SER 68 Cb -0.00 -1.44 -0.00 0.00 -1.71 0.00 0.00 66.02 62.87 1psh s SER 68 CO 0.02 0.10 0.50 -0.72 1.20 0.00 0.00 173.24 174.34 1psh s TYR 69 N 0.70 0.33 0.00 3.44 1.13 -1.26 -1.50 117.35 120.19 1psh s TYR 69 Ca -0.10 -0.70 0.01 0.00 -1.41 0.00 0.00 57.07 54.87 1psh s TYR 69 Cb -0.16 0.24 -0.00 0.00 -1.10 0.00 0.00 41.96 40.93 1psh s TYR 69 CO 0.01 -1.03 -0.02 -2.00 -2.51 0.00 0.00 175.55 170.00 1psh s GLU 70 N -3.96 0.15 -0.17 -3.49 2.12 -0.01 -4.90 118.70 108.43 1psh s GLU 70 Ca 0.22 -0.10 -0.05 0.00 0.36 0.00 0.00 54.97 55.39 1psh s GLU 70 Cb -0.01 -0.12 -0.03 0.00 0.26 0.00 0.00 34.13 34.23 1psh s GLU 70 CO 0.09 0.03 -0.00 0.00 -0.54 0.00 0.00 175.26 174.84 1psh s SER 72 N 0.50 2.32 -1.31 0.00 0.15 0.37 -4.94 113.70 110.79 1psh s SER 72 Ca -0.01 -0.67 -0.03 0.00 0.70 0.00 0.00 55.95 55.94 1psh s SER 72 Cb -0.14 -0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.13 1psh s SER 72 CO 0.02 -0.37 0.89 0.00 1.20 0.00 0.00 173.24 174.99 1psh n GLN 73 N 5.29 -5.91 -0.96 5.44 6.02 -1.26 -1.57 117.38 124.42 1psh n GLN 73 Ca -0.06 0.71 0.00 0.00 -0.01 0.00 0.00 57.00 57.64 1psh n GLN 73 Cb 0.47 -5.52 0.00 0.00 1.02 0.00 0.00 30.24 26.21 1psh n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1psh n GLY 74 N -1.51 0.95 3.75 1.08 0.00 -1.25 -5.03 105.19 103.18 1psh n GLY 74 Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1psh n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1psh s THR 75 N -3.78 4.49 -0.02 2.61 2.01 -0.61 -4.73 115.64 115.60 1psh s THR 75 Ca 0.00 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 61.48 1psh s THR 75 Cb 0.00 -3.06 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 1psh s THR 75 CO 0.00 0.30 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.33 1psh s LEU 76 N -1.84 1.95 -0.04 4.42 1.02 -1.26 -0.48 118.68 122.45 1psh s LEU 76 Ca 0.23 -0.27 -0.07 0.00 0.02 0.00 0.00 54.13 54.05 1psh s LEU 76 Cb -0.12 -0.76 0.01 0.00 0.02 0.00 0.00 46.19 45.34 1psh s LEU 76 CO 0.15 0.15 0.16 0.28 0.02 0.00 0.00 176.35 177.11 1psh s THR 77 N -0.14 0.04 -0.20 5.49 -1.32 -0.54 -4.98 115.64 113.98 1psh s THR 77 Ca 0.01 -0.30 -0.17 0.00 -1.21 0.00 0.00 61.69 60.02 1psh s THR 77 Cb -0.08 -0.33 -0.03 0.00 -1.51 0.00 0.00 72.50 70.55 1psh s THR 77 CO 0.00 -0.16 0.47 0.00 -2.21 0.00 0.00 174.62 172.72 1psh s LYS 79 N 1.54 1.20 0.39 0.00 -0.14 -0.56 -4.97 119.74 117.19 1psh s LYS 79 Ca 0.22 0.73 0.20 0.00 -1.36 0.00 0.00 55.97 55.77 1psh s LYS 79 Cb -0.15 -1.81 0.65 0.00 -1.68 0.00 0.00 37.83 34.84 1psh s LYS 79 CO 0.09 -2.26 1.71 0.78 -0.76 0.00 0.00 175.35 174.91 1psh h GLY 80 N -1.56 0.00 0.80 -3.33 0.00 -1.98 -3.26 103.07 93.75 1psh h GLY 80 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1psh h GLY 80 CO 0.56 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.19 1psh n ASP 81 N -3.39 0.00 -4.74 0.19 5.75 -1.26 -4.82 116.55 108.29 1psh n ASP 81 Ca 0.00 -0.69 -0.41 0.00 -0.01 0.00 0.00 54.79 53.69 1psh n ASP 81 Cb 0.52 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.58 1psh n ASP 81 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1psh s ASN 82 N -1.89 7.10 1.04 -1.12 0.01 -1.23 -5.00 114.94 113.85 1psh s ASN 82 Ca 0.22 2.21 -0.07 0.00 -0.71 0.00 0.00 52.86 54.51 1psh s ASN 82 Cb 0.10 -2.61 0.10 0.00 0.41 0.00 0.00 41.25 39.26 1psh s ASN 82 CO 0.17 -0.36 0.50 -0.46 -1.51 0.00 0.00 177.10 175.44 1psh n ASN 83 N 2.55 -0.50 -0.07 -1.22 6.94 -1.26 -4.59 115.26 117.10 1psh n ASN 83 Ca 0.04 -1.03 -0.05 0.00 -0.02 0.00 0.00 54.58 53.52 1psh n ASN 83 Cb 0.45 -0.40 0.15 0.00 -2.36 0.00 0.00 39.78 37.61 1psh n ASN 83 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1psh h ALA 84 N -2.06 1.03 0.15 -2.53 0.00 -1.98 0.60 119.26 114.47 1psh h ALA 84 Ca -0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1psh h ALA 84 Cb 0.48 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1psh h ALA 84 CO 0.12 0.59 -0.07 0.00 0.00 0.00 0.00 179.25 179.88 1psh h ALA 86 N 0.47 0.80 -0.61 0.00 0.00 -1.84 -0.80 119.26 117.28 1psh h ALA 86 Ca -0.02 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1psh h ALA 86 Cb 0.28 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1psh h ALA 86 CO 0.03 0.55 0.17 0.00 0.00 0.00 0.00 179.25 180.01 1psh h ALA 87 N 1.02 0.80 -0.28 0.00 0.00 -0.89 -1.04 119.26 118.88 1psh h ALA 87 Ca 0.18 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1psh h ALA 87 Cb 0.42 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1psh h ALA 87 CO 0.01 0.49 -0.17 0.77 0.00 0.00 0.00 179.25 180.35 1psh h SER 88 N 0.88 0.64 -0.35 0.00 0.02 -0.93 -2.07 113.55 111.74 1psh h SER 88 Ca 0.20 -0.43 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 1psh h SER 88 Cb 0.32 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1psh h SER 88 CO -0.00 0.93 0.14 0.58 -1.14 0.00 0.00 176.83 177.33 1psh h VAL 89 N 0.35 1.19 -0.33 2.27 2.07 -1.06 -1.37 116.25 119.36 1psh h VAL 89 Ca 0.06 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1psh h VAL 89 Cb 0.70 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1psh h VAL 89 CO 0.05 0.21 0.17 0.00 0.02 0.00 0.00 177.57 178.02 1psh h ASP 91 N 0.36 1.08 -0.52 0.00 3.58 -1.17 0.47 116.42 120.22 1psh h ASP 91 Ca 0.14 -0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.55 1psh h ASP 91 Cb 0.04 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.78 1psh h ASP 91 CO -0.09 0.82 0.32 0.00 -2.88 0.00 0.00 179.24 177.41 1psh h ASP 93 N 0.64 0.63 -0.20 0.00 5.19 -0.40 -1.85 116.42 120.43 1psh h ASP 93 Ca 0.20 -0.43 -0.13 0.00 -0.62 0.00 0.00 57.03 56.05 1psh h ASP 93 Cb -0.00 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.32 1psh h ASP 93 CO -0.08 0.93 -0.33 0.08 -3.12 0.00 0.00 179.24 176.72 1psh h ARG 94 N 0.34 0.71 -0.51 3.56 0.11 -0.87 -0.70 114.38 117.02 1psh h ARG 94 Ca 0.05 -0.33 -0.07 0.00 0.10 0.00 0.00 59.98 59.74 1psh h ARG 94 Cb 0.71 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.76 1psh h ARG 94 CO 0.05 0.94 0.04 -0.07 0.10 0.00 0.00 179.97 181.03 1psh h LEU 95 N 0.60 0.79 -0.19 0.08 3.38 -1.23 -0.51 115.31 118.21 1psh h LEU 95 Ca 0.07 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1psh h LEU 95 Cb 0.85 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1psh h LEU 95 CO 0.07 0.83 -0.09 0.00 0.09 0.00 0.00 178.44 179.34 1psh h ALA 96 N 1.26 0.27 -0.81 1.53 0.00 -1.05 -0.93 119.26 119.53 1psh h ALA 96 Ca 0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1psh h ALA 96 Cb 0.41 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1psh h ALA 96 CO 0.01 0.10 0.37 0.00 0.00 0.00 0.00 179.25 179.73 1psh h ALA 97 N 0.70 1.12 -0.33 0.00 0.00 -0.89 -0.01 119.26 119.85 1psh h ALA 97 Ca 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1psh h ALA 97 Cb 0.57 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1psh h ALA 97 CO 0.03 0.65 0.13 0.82 0.00 0.00 0.00 179.25 180.88 1psh h ILE 98 N 1.17 1.18 -0.56 0.00 2.04 -1.07 -3.00 117.51 117.27 1psh h ILE 98 Ca 0.28 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.62 1psh h ILE 98 Cb 0.14 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 1psh h ILE 98 CO -0.03 0.20 0.30 0.00 0.00 0.00 0.00 178.15 178.61 1psh h PHE 100 N 0.57 0.51 0.00 0.00 0.04 -0.92 -1.84 116.94 115.30 1psh h PHE 100 Ca 0.24 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.98 1psh h PHE 100 Cb 0.13 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 1psh h PHE 100 CO -0.09 0.30 -0.24 0.00 -0.60 0.00 0.00 178.31 177.68 1psh h ALA 101 N 1.73 1.07 -0.01 2.45 0.00 -1.28 -3.14 119.26 120.08 1psh h ALA 101 Ca 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1psh h ALA 101 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1psh h ALA 101 CO -0.05 0.30 -0.64 0.41 0.00 0.00 0.00 179.25 179.27 1psh n GLY 102 N 0.01 -0.68 3.81 0.00 0.00 -0.71 -4.91 105.19 102.70 1psh n GLY 102 Ca -0.00 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 1psh n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1psh s ALA 103 N -2.77 3.62 0.41 4.61 0.00 -1.08 -5.06 121.76 121.49 1psh s ALA 103 Ca 0.14 -0.09 -0.27 0.00 0.00 0.00 0.00 51.96 51.74 1psh s ALA 103 Cb 0.17 -2.53 -0.10 0.00 0.00 0.00 0.00 23.12 20.66 1psh s ALA 103 CO 0.70 0.39 1.45 -2.30 0.00 0.00 0.00 175.76 175.99 1psh n PRO 104 N 2.00 2.44 -3.25 0.00 -0.02 -1.26 -4.94 135.00 129.96 1psh n PRO 104 Ca -0.11 0.86 -0.41 0.00 -2.02 0.00 0.00 63.50 61.81 1psh n PRO 104 Cb 0.51 -2.63 -0.08 0.00 -0.02 0.00 0.00 33.50 31.28 1psh n PRO 104 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1psh s TYR 105 N -1.15 3.18 -0.47 6.00 6.14 -1.26 -4.65 117.35 125.14 1psh s TYR 105 Ca 0.57 0.15 -0.15 0.00 0.64 0.00 0.00 57.07 58.28 1psh s TYR 105 Cb -0.47 -2.91 0.07 0.00 0.42 0.00 0.00 41.96 39.07 1psh s TYR 105 CO 0.61 -0.54 0.38 1.21 0.64 0.00 0.00 175.55 177.85 1psh s ASN 106 N 1.76 6.14 0.57 4.32 3.84 -1.26 -4.96 114.94 125.35 1psh s ASN 106 Ca 0.18 -1.28 0.29 0.00 0.21 0.00 0.00 52.86 52.26 1psh s ASN 106 Cb -0.16 -2.18 1.47 0.00 -0.55 0.00 0.00 41.25 39.83 1psh s ASN 106 CO 0.13 -0.62 1.90 0.44 -2.79 0.00 0.00 177.10 176.16 1psh h ASP 107 N 8.74 0.00 0.59 -4.21 3.32 -1.97 0.18 116.42 123.07 1psh h ASP 107 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1psh h ASP 107 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1psh h ASP 107 CO 0.86 0.00 0.00 -3.20 -1.72 0.00 0.00 179.24 175.18 1psh n ASN 108 N -3.91 0.52 -0.98 6.45 2.85 -1.26 -2.38 115.26 116.56 1psh n ASN 108 Ca 0.11 0.64 0.11 0.00 -0.11 0.00 0.00 54.58 55.34 1psh n ASN 108 Cb 0.74 -0.75 0.13 0.00 1.24 0.00 0.00 39.78 41.15 1psh n ASN 108 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1psh n ASN 109 N -2.09 3.07 -4.76 1.20 3.02 0.65 -4.86 115.26 111.48 1psh n ASN 109 Ca 0.02 -1.96 -0.39 0.00 -0.03 0.00 0.00 54.58 52.22 1psh n ASN 109 Cb 0.19 -0.08 -0.05 0.00 -0.61 0.00 0.00 39.78 39.23 1psh n ASN 109 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1psh s TYR 110 N -1.74 3.78 -1.24 3.10 5.04 -1.00 -1.05 117.35 124.24 1psh s TYR 110 Ca 0.30 1.46 -0.11 0.00 -2.44 0.00 0.00 57.07 56.28 1psh s TYR 110 Cb 0.20 -2.75 -0.01 0.00 0.35 0.00 0.00 41.96 39.75 1psh s TYR 110 CO 0.29 0.37 0.68 -1.71 -1.34 0.00 0.00 175.55 173.84 1psh n ASN 111 N 2.39 -3.21 -4.89 4.32 4.05 0.01 -4.93 115.26 113.00 1psh n ASN 111 Ca -0.05 -0.97 -0.29 0.00 0.45 0.00 0.00 54.58 53.73 1psh n ASN 111 Cb 0.50 -3.49 0.00 0.00 1.23 0.00 0.00 39.78 38.02 1psh n ASN 111 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1psh s ILE 112 N -3.64 4.84 -0.43 -1.44 -4.36 -1.26 -4.97 121.20 109.95 1psh s ILE 112 Ca 0.26 0.43 -0.29 0.00 -0.26 0.00 0.00 60.65 60.78 1psh s ILE 112 Cb -0.09 -3.86 0.02 0.00 1.25 0.00 0.00 42.46 39.79 1psh s ILE 112 CO 0.85 -0.92 1.21 -0.62 0.24 0.00 0.00 174.94 175.71 1psh s ASP 113 N -4.06 6.60 0.37 4.36 2.15 -1.26 -4.85 116.67 119.98 1psh s ASP 113 Ca 0.50 0.67 0.06 0.00 0.43 0.00 0.00 52.55 54.21 1psh s ASP 113 Cb -0.10 -2.55 0.73 0.00 -0.30 0.00 0.00 42.92 40.70 1psh s ASP 113 CO 0.47 -1.24 1.95 -0.07 -0.17 0.00 0.00 175.17 176.11 1psh h LEU 114 N 11.31 0.44 -0.78 -1.34 3.38 -1.93 -1.56 115.31 124.83 1psh h LEU 114 Ca -0.24 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 1psh h LEU 114 Cb 1.07 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1psh h LEU 114 CO 1.10 0.45 0.14 0.11 0.09 0.00 0.00 178.44 180.33 1psh h LYS 115 N 0.48 1.06 0.01 1.13 1.57 -1.94 -1.03 116.57 117.85 1psh h LYS 115 Ca 0.11 -0.26 -0.25 0.00 -1.87 0.00 0.00 60.65 58.39 1psh h LYS 115 Cb 0.18 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1psh h LYS 115 CO -0.00 0.95 -1.28 0.00 -0.57 0.00 0.00 179.45 178.55 1psh h ALA 116 N 1.14 0.48 -0.01 3.86 0.00 -1.87 -3.40 119.26 119.47 1psh h ALA 116 Ca 0.21 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1psh h ALA 116 Cb 0.38 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1psh h ALA 116 CO 0.00 1.35 -0.40 0.54 0.00 0.00 0.00 179.25 180.75 1psh n ARG 117 N -3.26 2.18 -2.65 0.00 1.74 -0.62 -4.85 116.66 109.20 1psh n ARG 117 Ca -0.07 -0.47 -0.18 0.00 -0.77 0.00 0.00 57.85 56.36 1psh n ARG 117 Cb 0.99 -1.16 0.01 0.00 -1.02 0.00 0.00 32.46 31.27 1psh n ARG 117 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11