#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 0.07 -0.80 -4.53 5.85 -1.16 -1.37 115.31 113.36 1psh h LEU 2 Ca 0.00 0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 1psh h LEU 2 Cb 0.00 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1psh h LEU 2 CO 0.00 -0.01 -0.21 1.88 -0.34 0.00 0.00 178.44 179.76 1psh h TYR 3 N 0.30 0.75 -0.42 1.25 0.05 -1.99 -1.49 116.97 115.43 1psh h TYR 3 Ca 0.41 -0.16 -0.06 0.00 0.05 0.00 0.00 58.73 58.98 1psh h TYR 3 Cb 0.70 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.23 1psh h TYR 3 CO -0.24 0.83 0.03 1.96 -1.05 0.00 0.00 178.16 179.69 1psh h GLN 4 N 0.59 0.72 -0.55 4.88 4.20 -1.69 0.04 115.11 123.30 1psh h GLN 4 Ca 0.09 -0.21 0.02 0.00 0.06 0.00 0.00 58.65 58.60 1psh h GLN 4 Cb 0.68 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 1psh h GLN 4 CO 0.05 0.78 0.35 0.35 -0.67 0.00 0.00 178.83 179.69 1psh h PHE 5 N 0.56 0.65 -0.57 2.96 3.57 -1.08 0.30 116.94 123.33 1psh h PHE 5 Ca 0.12 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.71 1psh h PHE 5 Cb 0.44 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 1psh h PHE 5 CO 0.03 0.39 0.27 -0.22 -2.23 0.00 0.00 178.31 176.55 1psh h LYS 6 N 0.70 0.49 0.00 1.11 3.64 -0.89 -0.91 116.57 120.70 1psh h LYS 6 Ca 0.21 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.46 1psh h LYS 6 Cb -0.03 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1psh h LYS 6 CO -0.07 0.32 -0.49 -0.91 -2.27 0.00 0.00 179.45 176.02 1psh h ASN 7 N 0.50 0.00 -0.57 4.20 -0.26 0.47 -0.03 115.58 119.89 1psh h ASN 7 Ca 0.27 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.91 1psh h ASN 7 Cb 0.23 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.47 1psh h ASN 7 CO -0.22 0.49 -0.00 0.24 -1.06 0.00 0.00 177.43 176.89 1psh h MET 8 N 0.00 1.03 -0.11 0.81 2.86 0.48 -0.66 114.93 119.35 1psh h MET 8 Ca -0.00 -0.32 -0.12 0.00 -2.06 0.00 0.00 59.70 57.20 1psh h MET 8 Cb 0.98 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 1psh h MET 8 CO 0.06 1.01 -0.46 0.82 1.06 0.00 0.00 176.91 179.40 1psh h ILE 9 N 0.94 1.33 -0.11 -1.22 2.04 -0.71 -0.88 117.51 118.90 1psh h ILE 9 Ca 0.17 -1.64 -0.03 0.00 1.00 0.00 0.00 64.86 64.36 1psh h ILE 9 Cb 0.55 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1psh h ILE 9 CO 0.03 0.49 -0.07 0.11 0.00 0.00 0.00 178.15 178.71 1psh h LYS 10 N 0.22 0.15 -0.31 2.37 1.79 -0.04 -0.95 116.57 119.80 1psh h LYS 10 Ca 0.01 -0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 58.33 1psh h LYS 10 Cb 0.90 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1psh h LYS 10 CO 0.07 0.24 -0.31 0.00 -1.08 0.00 0.00 179.45 178.37 1psh n THR 12 N -4.22 1.47 -3.12 0.00 -2.24 -0.84 -4.21 114.28 101.13 1psh n THR 12 Ca -0.03 -0.80 -0.25 0.00 -2.27 0.00 0.00 64.05 60.69 1psh n THR 12 Cb 0.49 -0.79 -0.05 0.00 -2.10 0.00 0.00 70.33 67.87 1psh n THR 12 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1psh n VAL 13 N -2.92 2.00 0.15 2.28 0.31 -0.37 -4.79 118.33 115.00 1psh n VAL 13 Ca -0.22 -5.19 0.17 0.00 -0.01 0.00 0.00 64.34 59.10 1psh n VAL 13 Cb 1.06 -1.40 0.77 0.00 -0.91 0.00 0.00 33.84 33.37 1psh n VAL 13 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1psh h PRO 14 N 3.34 0.00 0.00 5.55 0.11 -1.71 -2.34 132.00 136.95 1psh h PRO 14 Ca 0.14 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.19 1psh h PRO 14 Cb 0.66 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 1psh h PRO 14 CO 0.73 0.00 -0.25 0.66 -0.21 0.00 0.00 178.00 178.94 1psh h SER 15 N 0.00 0.00 -1.63 -2.05 4.64 -1.92 -3.46 113.55 109.13 1psh h SER 15 Ca 0.12 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.95 1psh h SER 15 Cb 0.60 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.65 1psh h SER 15 CO -0.00 0.25 -0.40 -0.13 -0.87 0.00 0.00 176.83 175.67 1psh s ARG 16 N -3.54 2.59 0.15 4.77 0.52 -0.88 -5.13 118.95 117.44 1psh s ARG 16 Ca 0.01 -1.45 0.08 0.00 -0.52 0.00 0.00 55.73 53.85 1psh s ARG 16 Cb 0.10 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 33.12 1psh s ARG 16 CO 0.65 -0.09 -0.06 -1.54 0.02 0.00 0.00 175.30 174.27 1psh s SER 17 N -4.08 4.48 0.35 0.23 1.04 -1.26 -4.94 113.70 109.52 1psh s SER 17 Ca 0.46 -0.46 0.17 0.00 0.48 0.00 0.00 55.95 56.60 1psh s SER 17 Cb -0.04 -0.86 1.19 0.00 0.10 0.00 0.00 66.02 66.41 1psh s SER 17 CO 0.27 0.12 1.63 -0.25 0.98 0.00 0.00 173.24 176.00 1psh h TRP 18 N 3.06 0.88 0.00 5.02 2.91 -1.96 0.37 115.95 126.24 1psh h TRP 18 Ca -0.47 0.04 -0.03 0.00 1.13 0.00 0.00 58.89 59.55 1psh h TRP 18 Cb 1.19 -0.22 -0.00 0.00 -0.51 0.00 0.00 29.16 29.61 1psh h TRP 18 CO 0.63 -0.28 -0.15 -1.49 -1.03 0.00 0.00 178.44 176.12 1psh h TRP 19 N 0.21 0.00 -0.46 2.65 4.06 -1.98 0.04 115.95 120.46 1psh h TRP 19 Ca 0.78 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.67 1psh h TRP 19 Cb 1.90 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 30.04 1psh h TRP 19 CO -0.01 0.15 0.07 -0.44 -3.56 0.00 0.00 178.44 174.65 1psh h ASP 20 N 0.00 0.68 0.42 -3.49 3.32 -1.32 -3.04 116.42 112.99 1psh h ASP 20 Ca -0.00 -0.13 -0.31 0.00 0.02 0.00 0.00 57.03 56.61 1psh h ASP 20 Cb 0.64 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 1psh h ASP 20 CO 0.02 0.70 -1.69 -0.26 -1.72 0.00 0.00 179.24 176.29 1psh h PHE 21 N 0.69 0.25 -0.07 4.55 0.04 -1.27 -3.39 116.94 117.74 1psh h PHE 21 Ca 0.15 -0.18 0.02 0.00 2.80 0.00 0.00 57.97 60.76 1psh h PHE 21 Cb 0.33 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.46 1psh h PHE 21 CO 0.02 1.31 0.14 0.00 -0.60 0.00 0.00 178.31 179.17 1psh h ALA 22 N 0.62 1.45 -0.16 2.45 0.00 -0.91 -2.36 119.26 120.36 1psh h ALA 22 Ca -0.29 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 1psh h ALA 22 Cb 2.00 0.01 -0.23 0.00 0.00 0.00 0.00 17.79 19.57 1psh h ALA 22 CO 0.11 -0.17 -0.78 -0.25 0.00 0.00 0.00 179.25 178.16 1psh n ASP 23 N -3.45 1.98 -4.78 0.00 8.00 -1.25 -3.57 116.55 113.49 1psh n ASP 23 Ca -0.01 -3.11 -0.39 0.00 0.71 0.00 0.00 54.79 51.99 1psh n ASP 23 Cb 0.23 -0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 40.84 1psh n ASP 23 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1psh s TYR 24 N -2.39 3.71 0.00 1.24 6.14 -0.89 -0.55 117.35 124.62 1psh s TYR 24 Ca 0.38 1.17 0.00 0.00 0.64 0.00 0.00 57.07 59.25 1psh s TYR 24 Cb 0.38 -2.53 0.00 0.00 0.42 0.00 0.00 41.96 40.23 1psh s TYR 24 CO -0.08 0.44 0.00 0.41 0.64 0.00 0.00 175.55 176.96 1psh n GLY 25 N 2.23 0.53 0.10 8.97 0.00 -0.26 -3.11 105.19 113.65 1psh n GLY 25 Ca -0.09 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.13 0.00 0.23 0.00 4.02 -1.26 -2.56 117.16 116.46 1psh n TYR 27 Ca 0.08 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.13 1psh n TYR 27 Cb 0.34 0.00 0.83 0.00 -0.02 0.00 0.00 39.34 40.49 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 -1.40 0.05 3.69 0.00 0.00 -1.23 -4.70 105.19 101.59 1psh n GLY 29 Ca -0.00 -1.82 -0.55 0.00 0.00 0.00 0.00 46.02 43.64 1psh n GLY 29 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1psh n ARG 30 N -0.75 1.32 0.00 1.61 0.63 -1.26 -4.48 116.66 113.74 1psh n ARG 30 Ca 0.00 0.48 0.00 0.00 -0.92 0.00 0.00 57.85 57.41 1psh n ARG 30 Cb 0.00 -2.19 0.00 0.00 0.45 0.00 0.00 32.46 30.72 1psh n ARG 30 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1psh n GLY 31 N 3.98 0.45 0.00 5.14 0.00 -1.26 -4.97 105.19 108.52 1psh n GLY 31 Ca 0.25 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 3.24 3.41 -0.02 0.00 -1.25 -4.55 105.19 106.01 1psh n GLY 32 Ca 0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 1psh n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1psh s SER 33 N 0.00 -0.50 0.00 1.61 0.01 -1.06 -4.98 113.70 108.78 1psh s SER 33 Ca 0.00 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.37 1psh s SER 33 Cb 0.00 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.78 1psh s SER 33 CO 0.00 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.43 1psh n GLY 34 N 0.04 -0.74 3.68 3.44 0.00 -1.22 -4.66 105.19 105.74 1psh n GLY 34 Ca -0.18 -1.20 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 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 5.36 -0.19 2.61 2.01 -1.26 -4.99 115.64 119.18 1psh s THR 35 Ca 0.00 0.22 -0.41 0.00 0.31 0.00 0.00 61.69 61.81 1psh s THR 35 Cb 0.00 -3.51 -0.17 0.00 0.01 0.00 0.00 72.50 68.83 1psh s THR 35 CO 0.00 0.37 1.52 -2.65 -0.69 0.00 0.00 174.62 173.17 1psh n PRO 36 N 4.07 0.78 0.21 4.92 -0.02 -1.26 -4.84 135.00 138.86 1psh n PRO 36 Ca -0.15 0.28 0.15 0.00 -2.02 0.00 0.00 63.50 61.77 1psh n PRO 36 Cb 0.52 -1.90 0.64 0.00 -0.02 0.00 0.00 33.50 32.75 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 4.40 0.00 -1.08 -1.45 -1.51 -1.94 -3.46 116.25 111.20 1psh h VAL 37 Ca -0.47 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 1psh h VAL 37 Cb 1.35 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 1psh h VAL 37 CO 0.88 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.32 1psh n ASP 38 N -2.65 0.00 0.08 4.19 5.68 -1.26 -5.04 116.55 117.55 1psh n ASP 38 Ca 0.01 -0.23 -0.06 0.00 -0.50 0.00 0.00 54.79 54.01 1psh n ASP 38 Cb 0.23 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.17 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 0.00 0.04 0.21 -1.12 5.19 -1.91 -2.28 116.42 116.54 1psh h ASP 39 Ca 0.00 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 1psh h ASP 39 Cb 0.00 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1psh h ASP 39 CO 0.00 0.92 -0.10 0.25 -3.12 0.00 0.00 179.24 177.19 1psh h LEU 40 N 0.01 -0.24 -1.67 1.55 5.85 -1.92 -1.62 115.31 117.28 1psh h LEU 40 Ca -0.02 -0.25 0.15 0.00 0.84 0.00 0.00 57.88 58.61 1psh h LEU 40 Cb 1.58 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.63 1psh h LEU 40 CO 0.12 0.15 0.49 -0.78 -0.34 0.00 0.00 178.44 178.08 1psh h ASP 41 N -0.66 0.31 0.27 1.25 3.58 -1.92 0.42 116.42 119.67 1psh h ASP 41 Ca -0.03 0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.31 1psh h ASP 41 Cb 0.47 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1psh h ASP 41 CO 0.05 0.16 -0.50 -0.09 -2.88 0.00 0.00 179.24 175.98 1psh h ARG 42 N 0.33 0.26 -0.55 0.28 2.43 -1.09 -0.05 114.38 115.99 1psh h ARG 42 Ca 0.35 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 1psh h ARG 42 Cb 0.91 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.43 1psh h ARG 42 CO -0.09 0.70 0.32 0.00 -1.51 0.00 0.00 179.97 179.38 1psh h GLN 45 N 1.05 0.97 -0.64 0.00 4.15 -0.21 0.55 115.11 120.99 1psh h GLN 45 Ca 0.25 -0.17 -0.06 0.00 0.77 0.00 0.00 58.65 59.44 1psh h GLN 45 Cb 0.12 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 1psh h GLN 45 CO -0.03 0.81 0.15 0.28 -1.93 0.00 0.00 178.83 178.11 1psh h VAL 46 N 0.92 1.26 -0.61 2.39 2.07 -0.77 -1.44 116.25 120.05 1psh h VAL 46 Ca 0.22 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1psh h VAL 46 Cb 0.20 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1psh h VAL 46 CO -0.02 0.36 0.24 -0.74 0.02 0.00 0.00 177.57 177.43 1psh h HIS 47 N 0.94 0.94 -0.48 1.57 -0.00 -0.22 -1.17 115.15 116.74 1psh h HIS 47 Ca 0.20 -0.07 0.02 0.00 -0.00 0.00 0.00 60.37 60.52 1psh h HIS 47 Cb 0.37 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.47 1psh h HIS 47 CO 0.03 0.75 0.28 -0.44 -0.00 0.00 0.00 177.93 178.55 1psh h ASP 48 N 0.86 0.46 0.18 3.26 5.19 -0.53 -1.69 116.42 124.15 1psh h ASP 48 Ca 0.20 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.50 1psh h ASP 48 Cb 0.21 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 1psh h ASP 48 CO -0.02 0.33 -0.43 -1.13 -3.12 0.00 0.00 179.24 174.87 1psh h ASN 49 N 0.57 0.33 -0.53 6.45 -0.00 -1.06 -1.78 115.58 119.56 1psh h ASN 49 Ca 0.19 -0.15 -0.07 0.00 -0.00 0.00 0.00 56.30 56.27 1psh h ASN 49 Cb 0.02 -0.09 -0.02 0.00 -0.00 0.00 0.00 38.32 38.22 1psh h ASN 49 CO -0.09 0.73 0.06 0.00 -0.00 0.00 0.00 177.43 178.13 1psh h TYR 51 N 0.89 1.17 -0.49 0.00 -1.99 -0.97 0.40 116.97 115.97 1psh h TYR 51 Ca 0.17 -0.19 0.07 0.00 2.00 0.00 0.00 58.73 60.79 1psh h TYR 51 Cb 0.44 -0.31 -0.06 0.00 2.00 0.00 0.00 36.73 38.80 1psh h TYR 51 CO 0.03 1.01 0.15 -0.91 -0.00 0.00 0.00 178.16 178.44 1psh h ASN 52 N 0.99 0.12 -0.39 3.88 -0.26 -0.82 0.97 115.58 120.06 1psh h ASN 52 Ca 0.18 0.07 -0.00 0.00 -0.56 0.00 0.00 56.30 55.99 1psh h ASN 52 Cb 0.52 0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.83 1psh h ASN 52 CO 0.02 0.10 0.23 -0.33 -1.06 0.00 0.00 177.43 176.40 1psh h GLU 53 N 0.31 0.54 -0.67 0.81 4.39 -0.92 -2.75 114.58 116.29 1psh h GLU 53 Ca 0.24 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.91 1psh h GLU 53 Cb 0.28 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 1psh h GLU 53 CO -0.27 0.41 0.45 0.00 -1.16 0.00 0.00 179.01 178.44 1psh h ALA 54 N 1.10 1.56 0.00 3.43 0.00 0.04 -1.98 119.26 123.41 1psh h ALA 54 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1psh h ALA 54 Cb 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1psh h ALA 54 CO -0.03 0.39 0.00 0.39 0.00 0.00 0.00 179.25 180.00 1psh n GLU 55 N -4.44 0.19 0.30 0.00 1.02 0.24 -1.98 120.64 115.97 1psh n GLU 55 Ca 0.08 0.51 0.18 0.00 -0.02 0.00 0.00 57.16 57.90 1psh n GLU 55 Cb 0.07 -1.93 0.96 0.00 -0.02 0.00 0.00 31.44 30.53 1psh n GLU 55 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1psh h LYS 56 N 0.00 0.00 -5.82 3.49 6.56 -1.35 -3.41 116.57 116.04 1psh h LYS 56 Ca 0.00 0.00 -0.58 0.00 -1.06 0.00 0.00 60.65 59.01 1psh h LYS 56 Cb 0.24 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 31.83 1psh h LYS 56 CO 0.00 0.03 -0.13 0.96 -2.06 0.00 0.00 179.45 178.25 1psh s ILE 57 N -4.24 5.13 -0.18 1.86 -5.25 -0.84 -4.93 121.20 112.76 1psh s ILE 57 Ca -0.04 0.97 -0.38 0.00 -0.99 0.00 0.00 60.65 60.21 1psh s ILE 57 Cb 0.13 -3.82 -0.15 0.00 2.95 0.00 0.00 42.46 41.58 1psh s ILE 57 CO 0.51 0.37 1.72 -1.20 -1.79 0.00 0.00 174.94 174.55 1psh n SER 58 N 3.30 2.54 -0.05 4.36 7.64 -1.26 -0.98 113.62 129.17 1psh n SER 58 Ca -0.08 1.06 -0.01 0.00 1.01 0.00 0.00 58.87 60.85 1psh n SER 58 Cb 0.52 -1.20 -0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1psh n SER 58 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1psh n GLY 59 N 4.02 0.48 3.59 0.23 0.00 -1.26 -4.98 105.19 107.26 1psh n GLY 59 Ca 0.24 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 3.56 3.46 0.30 0.00 0.51 -1.26 -4.50 118.94 121.00 1psh s TRP 61 Ca 0.37 -3.00 0.05 0.00 -2.12 0.00 0.00 56.10 51.40 1psh s TRP 61 Cb -0.11 -3.03 0.73 0.00 -0.81 0.00 0.00 33.47 30.25 1psh s TRP 61 CO 0.22 -0.75 1.76 -1.35 -0.51 0.00 0.00 176.95 176.32 1psh h PRO 62 N 6.42 0.67 0.00 4.98 0.11 -1.93 -0.10 132.00 142.16 1psh h PRO 62 Ca 0.03 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 1psh h PRO 62 Cb 0.88 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 1psh h PRO 62 CO 0.73 0.44 -0.20 1.88 -0.21 0.00 0.00 178.00 180.64 1psh h TYR 63 N 0.69 0.00 0.00 0.65 0.05 -1.94 -3.18 116.97 113.23 1psh h TYR 63 Ca 0.57 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.35 1psh h TYR 63 Cb 0.92 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.66 1psh h TYR 63 CO -0.03 0.20 -1.64 1.19 -1.05 0.00 0.00 178.16 176.83 1psh n PHE 64 N -3.47 0.00 -2.19 4.88 3.72 -0.13 -0.75 117.46 119.52 1psh n PHE 64 Ca -0.01 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 1psh n PHE 64 Cb 0.37 -0.34 -0.02 0.00 -0.94 0.00 0.00 39.48 38.55 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 -3.17 3.95 -0.04 -1.08 2.36 -0.73 -4.76 119.74 116.27 1psh s LYS 65 Ca -0.04 1.69 -0.28 0.00 -2.55 0.00 0.00 55.97 54.79 1psh s LYS 65 Cb 0.12 -3.96 -0.03 0.00 -1.05 0.00 0.00 37.83 32.91 1psh s LYS 65 CO 0.77 -1.10 0.89 0.99 1.55 0.00 0.00 175.35 178.45 1psh s THR 66 N 4.61 4.92 0.44 3.43 2.01 -1.26 0.52 115.64 130.31 1psh s THR 66 Ca 0.67 1.85 0.00 0.00 0.31 0.00 0.00 61.69 64.52 1psh s THR 66 Cb -0.25 -4.23 -0.00 0.00 0.01 0.00 0.00 72.50 68.04 1psh s THR 66 CO 0.26 0.17 0.01 0.00 -0.69 0.00 0.00 174.62 174.37 1psh n TYR 67 N 4.00 0.96 -4.97 4.92 0.18 -1.26 -4.87 117.16 116.11 1psh n TYR 67 Ca 0.04 -2.20 -0.32 0.00 1.88 0.00 0.00 57.90 57.29 1psh n TYR 67 Cb 0.51 -0.27 -0.15 0.00 -0.38 0.00 0.00 39.34 39.04 1psh n TYR 67 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 1psh s SER 68 N -3.43 3.62 0.27 9.48 0.01 -1.26 -4.97 113.70 117.42 1psh s SER 68 Ca 0.02 -0.42 -0.07 0.00 1.31 0.00 0.00 55.95 56.78 1psh s SER 68 Cb 0.00 -1.47 -0.01 0.00 0.21 0.00 0.00 66.02 64.75 1psh s SER 68 CO 0.01 0.17 0.41 -0.72 0.41 0.00 0.00 173.24 173.52 1psh s TYR 69 N 0.28 0.73 -0.02 2.43 1.13 -1.26 -2.01 117.35 118.63 1psh s TYR 69 Ca -0.13 -1.03 0.01 0.00 -1.41 0.00 0.00 57.07 54.51 1psh s TYR 69 Cb -0.16 -0.04 0.01 0.00 -1.10 0.00 0.00 41.96 40.67 1psh s TYR 69 CO 0.07 -0.96 -0.01 -2.00 -2.51 0.00 0.00 175.55 170.14 1psh s GLU 70 N -3.76 0.21 -0.34 -3.49 2.12 0.27 -4.87 118.70 108.83 1psh s GLU 70 Ca 0.28 0.01 -0.08 0.00 0.36 0.00 0.00 54.97 55.55 1psh s GLU 70 Cb 0.01 -0.31 0.03 0.00 0.26 0.00 0.00 34.13 34.12 1psh s GLU 70 CO 0.13 -0.05 0.13 0.00 -0.54 0.00 0.00 175.26 174.93 1psh s SER 72 N 1.46 3.36 -1.65 0.00 0.15 0.03 -4.82 113.70 112.23 1psh s SER 72 Ca -0.00 -0.84 -0.15 0.00 0.70 0.00 0.00 55.95 55.66 1psh s SER 72 Cb -0.19 -1.31 0.13 0.00 -1.71 0.00 0.00 66.02 62.94 1psh s SER 72 CO 0.04 -0.11 0.75 0.00 1.20 0.00 0.00 173.24 175.12 1psh n GLN 73 N 4.66 -3.38 -0.59 5.44 6.02 -1.26 -0.75 117.38 127.51 1psh n GLN 73 Ca -0.16 0.39 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 1psh n GLN 73 Cb 0.47 -5.04 0.00 0.00 1.02 0.00 0.00 30.24 26.69 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 -1.52 0.78 3.79 1.08 0.00 -1.26 -5.05 105.19 103.01 1psh n GLY 74 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.93 4.99 -0.09 2.61 2.01 0.07 -4.61 115.64 117.69 1psh s THR 75 Ca 0.00 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.00 1psh s THR 75 Cb 0.00 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 1psh s THR 75 CO 0.00 0.61 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.72 1psh s LEU 76 N -0.98 3.18 -0.02 4.42 1.02 -1.26 -0.79 118.68 124.25 1psh s LEU 76 Ca 0.14 -0.05 0.01 0.00 0.02 0.00 0.00 54.13 54.25 1psh s LEU 76 Cb -0.12 -1.71 0.01 0.00 0.02 0.00 0.00 46.19 44.39 1psh s LEU 76 CO 0.03 0.31 -0.04 -0.89 0.02 0.00 0.00 176.35 175.79 1psh s THR 77 N -0.49 0.39 -0.31 5.49 2.01 -0.46 -4.95 115.64 117.32 1psh s THR 77 Ca 0.07 -0.11 -0.21 0.00 0.31 0.00 0.00 61.69 61.76 1psh s THR 77 Cb -0.12 -0.40 -0.00 0.00 0.01 0.00 0.00 72.50 71.99 1psh s THR 77 CO 0.02 0.16 0.68 0.00 -0.69 0.00 0.00 174.62 174.79 1psh s LYS 79 N 2.73 3.61 0.11 0.00 -0.14 -0.85 -4.96 119.74 120.23 1psh s LYS 79 Ca 0.27 0.56 0.25 0.00 -1.36 0.00 0.00 55.97 55.70 1psh s LYS 79 Cb -0.15 -2.20 0.97 0.00 -1.68 0.00 0.00 37.83 34.77 1psh s LYS 79 CO 0.12 -0.40 1.79 0.41 -0.76 0.00 0.00 175.35 176.51 1psh n GLY 80 N -2.45 -1.49 0.00 -3.33 0.00 -1.26 -3.93 105.19 92.73 1psh n GLY 80 Ca 0.04 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1psh n GLY 80 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1psh n ASP 81 N -1.88 0.02 -4.42 1.61 5.75 -1.26 -4.80 116.55 111.56 1psh n ASP 81 Ca 0.05 0.51 -0.33 0.00 -0.01 0.00 0.00 54.79 55.01 1psh n ASP 81 Cb 0.34 -0.51 -0.14 0.00 -1.03 0.00 0.00 41.12 39.78 1psh n ASP 81 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1psh s ASN 82 N -3.03 4.05 0.70 -1.12 2.20 -1.25 -5.06 114.94 111.43 1psh s ASN 82 Ca 0.02 -0.26 -0.13 0.00 -0.94 0.00 0.00 52.86 51.55 1psh s ASN 82 Cb 0.04 -1.27 -0.10 0.00 -2.00 0.00 0.00 41.25 37.92 1psh s ASN 82 CO 0.10 0.25 -0.75 -0.46 -2.94 0.00 0.00 177.10 173.30 1psh n ASN 83 N 2.96 -2.33 -0.16 3.54 6.94 -1.26 -3.18 115.26 121.77 1psh n ASN 83 Ca -0.18 0.00 -0.02 0.00 -0.02 0.00 0.00 54.58 54.36 1psh n ASN 83 Cb 0.52 -0.46 0.05 0.00 -2.36 0.00 0.00 39.78 37.53 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 -1.38 0.42 -0.17 -2.53 0.00 -1.99 0.23 119.26 113.85 1psh h ALA 84 Ca -0.19 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1psh h ALA 84 Cb 0.67 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1psh h ALA 84 CO 0.10 -0.41 0.03 0.00 0.00 0.00 0.00 179.25 178.97 1psh h ALA 86 N 0.82 -0.39 -0.48 0.00 0.00 -1.71 0.11 119.26 117.61 1psh h ALA 86 Ca 0.05 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1psh h ALA 86 Cb 0.30 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.20 1psh h ALA 86 CO 0.00 -0.73 -0.18 0.00 0.00 0.00 0.00 179.25 178.35 1psh h ALA 87 N 0.33 0.22 -0.39 0.00 0.00 -0.52 0.13 119.26 119.02 1psh h ALA 87 Ca -0.02 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1psh h ALA 87 Cb 0.34 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1psh h ALA 87 CO 0.02 -0.51 0.12 0.77 0.00 0.00 0.00 179.25 179.65 1psh h SER 88 N -0.07 0.57 -0.23 0.00 0.02 -0.95 -1.51 113.55 111.38 1psh h SER 88 Ca 0.23 -0.21 -0.16 0.00 -0.84 0.00 0.00 61.79 60.82 1psh h SER 88 Cb 0.42 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1psh h SER 88 CO -0.53 0.62 -0.45 0.58 -1.14 0.00 0.00 176.83 175.91 1psh h VAL 89 N 0.48 1.28 -0.21 2.27 2.07 -0.50 -1.36 116.25 120.28 1psh h VAL 89 Ca 0.12 -1.63 0.04 0.00 0.82 0.00 0.00 66.70 66.06 1psh h VAL 89 Cb 0.26 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1psh h VAL 89 CO -0.00 0.53 -0.06 0.00 0.02 0.00 0.00 177.57 178.06 1psh h ASP 91 N -0.01 1.12 -0.35 0.00 5.19 -1.03 0.90 116.42 122.24 1psh h ASP 91 Ca 0.10 -0.04 0.05 0.00 -0.62 0.00 0.00 57.03 56.52 1psh h ASP 91 Cb 0.16 -0.28 -0.05 0.00 0.18 0.00 0.00 39.33 39.35 1psh h ASP 91 CO -0.22 0.83 0.07 0.00 -3.12 0.00 0.00 179.24 176.80 1psh h ASP 93 N 0.20 0.29 -0.11 0.00 5.19 -0.56 -1.67 116.42 119.76 1psh h ASP 93 Ca 0.17 -0.47 0.04 0.00 -0.62 0.00 0.00 57.03 56.15 1psh h ASP 93 Cb 0.19 -0.08 -0.06 0.00 0.18 0.00 0.00 39.33 39.55 1psh h ASP 93 CO -0.22 0.70 -0.36 -0.09 -3.12 0.00 0.00 179.24 176.15 1psh h ARG 94 N -0.12 -0.44 -0.87 3.56 2.43 -0.80 0.48 114.38 118.63 1psh h ARG 94 Ca 0.02 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 1psh h ARG 94 Cb 0.62 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.21 1psh h ARG 94 CO 0.03 -0.29 0.57 -0.07 -1.51 0.00 0.00 179.97 178.69 1psh h LEU 95 N -0.46 0.88 -0.48 3.80 3.38 -1.35 -0.87 115.31 120.21 1psh h LEU 95 Ca 0.08 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1psh h LEU 95 Cb 0.59 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1psh h LEU 95 CO -0.36 0.57 -0.48 0.00 0.09 0.00 0.00 178.44 178.26 1psh h ALA 96 N 1.52 0.66 -0.50 1.53 0.00 -0.16 -1.65 119.26 120.66 1psh h ALA 96 Ca 0.37 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1psh h ALA 96 Cb 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1psh h ALA 96 CO -0.13 0.68 -0.18 0.00 0.00 0.00 0.00 179.25 179.61 1psh h ALA 97 N 0.90 0.73 0.37 0.00 0.00 -0.27 -0.85 119.26 120.13 1psh h ALA 97 Ca 0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1psh h ALA 97 Cb 1.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1psh h ALA 97 CO 0.10 0.67 -0.18 0.82 0.00 0.00 0.00 179.25 180.67 1psh h ILE 98 N 0.87 0.64 -0.79 0.00 2.04 -1.08 -2.99 117.51 116.20 1psh h ILE 98 Ca 0.12 -0.08 0.13 0.00 1.00 0.00 0.00 64.86 66.03 1psh h ILE 98 Cb 0.76 0.69 -0.09 0.00 -0.74 0.00 0.00 36.82 37.44 1psh h ILE 98 CO 0.06 0.02 0.38 0.00 0.00 0.00 0.00 178.15 178.61 1psh h PHE 100 N 0.57 0.46 0.00 0.00 0.04 -1.02 -1.58 116.94 115.41 1psh h PHE 100 Ca 0.43 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 61.10 1psh h PHE 100 Cb 0.59 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 1psh h PHE 100 CO -0.12 0.38 -0.40 0.00 -0.60 0.00 0.00 178.31 177.58 1psh h ALA 101 N 1.67 0.92 0.08 2.45 0.00 -1.10 -3.22 119.26 120.05 1psh h ALA 101 Ca 0.11 -0.36 -0.25 0.00 0.00 0.00 0.00 54.91 54.41 1psh h ALA 101 Cb 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1psh h ALA 101 CO -0.01 0.49 -1.15 0.78 0.00 0.00 0.00 179.25 179.36 1psh h GLY 102 N 2.37 0.22 -3.46 0.00 0.00 -1.04 -3.47 103.07 97.70 1psh h GLY 102 Ca -0.00 -0.56 -0.51 0.00 0.00 0.00 0.00 47.33 46.26 1psh h GLY 102 CO 0.05 0.49 0.10 0.00 0.00 0.00 0.00 176.54 177.18 1psh s ALA 103 N -2.71 3.39 0.44 3.60 0.00 -0.99 -5.06 121.76 120.43 1psh s ALA 103 Ca -0.03 0.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.82 1psh s ALA 103 Cb 0.08 -2.80 -0.08 0.00 0.00 0.00 0.00 23.12 20.33 1psh s ALA 103 CO 0.86 0.33 1.18 -1.25 0.00 0.00 0.00 175.76 176.88 1psh s PRO 104 N -2.24 3.85 -0.35 0.00 0.04 -1.26 -4.93 135.00 130.11 1psh s PRO 104 Ca 0.46 1.82 -0.15 0.00 0.04 0.00 0.00 61.00 63.17 1psh s PRO 104 Cb -0.15 -2.50 -0.01 0.00 0.04 0.00 0.00 34.50 31.88 1psh s PRO 104 CO 0.20 -0.49 0.36 -0.47 0.04 0.00 0.00 177.00 176.64 1psh s TYR 105 N -1.49 3.21 -0.77 0.56 6.14 -1.26 -4.64 117.35 119.10 1psh s TYR 105 Ca 0.61 -0.09 -0.21 0.00 0.64 0.00 0.00 57.07 58.03 1psh s TYR 105 Cb -0.30 -2.67 0.10 0.00 0.42 0.00 0.00 41.96 39.50 1psh s TYR 105 CO 0.37 -0.46 1.02 -0.80 0.64 0.00 0.00 175.55 176.33 1psh s ASN 106 N 1.74 6.37 0.59 4.32 0.01 -1.26 -4.90 114.94 121.80 1psh s ASN 106 Ca 0.11 -1.47 0.29 0.00 -0.71 0.00 0.00 52.86 51.08 1psh s ASN 106 Cb -0.17 -2.40 1.45 0.00 0.41 0.00 0.00 41.25 40.54 1psh s ASN 106 CO 0.12 -1.26 1.87 0.44 -1.51 0.00 0.00 177.10 176.75 1psh h ASP 107 N 9.24 0.00 -0.05 -1.22 5.19 -1.99 0.27 116.42 127.86 1psh h ASP 107 Ca -0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1psh h ASP 107 Cb 1.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.56 1psh h ASP 107 CO 1.15 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 177.86 1psh n ASN 108 N -3.70 0.31 -0.24 6.45 4.13 -1.26 -2.83 115.26 118.12 1psh n ASN 108 Ca 0.09 -1.84 0.02 0.00 1.68 0.00 0.00 54.58 54.54 1psh n ASN 108 Cb 0.72 -0.03 0.05 0.00 -1.54 0.00 0.00 39.78 38.98 1psh n ASN 108 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1psh n ASN 109 N -0.41 2.00 -4.70 6.41 3.02 0.93 -4.90 115.26 117.62 1psh n ASN 109 Ca 0.06 -1.68 -0.41 0.00 -0.03 0.00 0.00 54.58 52.51 1psh n ASN 109 Cb 0.07 -0.06 -0.04 0.00 -0.61 0.00 0.00 39.78 39.14 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 -0.76 3.56 -0.90 3.10 5.04 -1.13 -1.10 117.35 125.15 1psh s TYR 110 Ca 0.08 1.47 -0.07 0.00 -2.44 0.00 0.00 57.07 56.11 1psh s TYR 110 Cb 0.05 -3.03 0.01 0.00 0.35 0.00 0.00 41.96 39.34 1psh s TYR 110 CO 0.06 -0.08 0.63 -1.71 -1.34 0.00 0.00 175.55 173.12 1psh n ASN 111 N 4.38 -4.91 -4.80 4.32 2.85 0.29 -4.94 115.26 112.44 1psh n ASN 111 Ca 0.04 -0.98 -0.30 0.00 -0.11 0.00 0.00 54.58 53.23 1psh n ASN 111 Cb 0.50 -1.95 0.08 0.00 1.24 0.00 0.00 39.78 39.66 1psh n ASN 111 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1psh s ILE 112 N -3.11 3.30 -0.57 -1.44 -4.36 -1.26 -4.95 121.20 108.81 1psh s ILE 112 Ca 0.11 0.42 -0.17 0.00 -0.26 0.00 0.00 60.65 60.74 1psh s ILE 112 Cb -0.06 -3.13 0.12 0.00 1.25 0.00 0.00 42.46 40.64 1psh s ILE 112 CO 0.90 -0.55 0.60 -1.81 0.24 0.00 0.00 174.94 174.33 1psh s ASP 113 N -3.80 6.19 0.40 4.36 1.01 -1.26 -4.93 116.67 118.64 1psh s ASP 113 Ca 0.60 -1.62 0.20 0.00 0.71 0.00 0.00 52.55 52.44 1psh s ASP 113 Cb -0.15 -2.26 1.15 0.00 1.01 0.00 0.00 42.92 42.67 1psh s ASP 113 CO 0.55 -0.99 1.74 -0.07 0.21 0.00 0.00 175.17 176.61 1psh h LEU 114 N 9.42 0.42 -1.05 1.23 3.38 -1.95 -1.99 115.31 124.78 1psh h LEU 114 Ca -0.29 0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1psh h LEU 114 Cb 1.09 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 1psh h LEU 114 CO 1.07 0.04 0.64 0.11 0.09 0.00 0.00 178.44 180.39 1psh h LYS 115 N 0.35 1.18 -0.29 1.13 1.79 -1.94 -0.16 116.57 118.63 1psh h LYS 115 Ca 0.64 -0.07 -0.16 0.00 -2.18 0.00 0.00 60.65 58.88 1psh h LYS 115 Cb 1.67 -0.27 -0.00 0.00 -1.58 0.00 0.00 32.23 32.05 1psh h LYS 115 CO -0.33 0.78 -0.44 0.00 -1.08 0.00 0.00 179.45 178.38 1psh h ALA 116 N 1.44 0.44 -0.01 3.86 0.00 -1.78 -3.38 119.26 119.83 1psh h ALA 116 Ca 0.40 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1psh h ALA 116 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1psh h ALA 116 CO -0.13 0.58 -0.22 0.54 0.00 0.00 0.00 179.25 180.01 1psh n ARG 117 N -4.12 1.98 -2.35 0.00 1.74 -1.04 -4.78 116.66 108.10 1psh n ARG 117 Ca -0.04 -0.65 -0.26 0.00 -0.77 0.00 0.00 57.85 56.13 1psh n ARG 117 Cb 0.56 -1.12 0.01 0.00 -1.02 0.00 0.00 32.46 30.89 1psh n ARG 117 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11