#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y75 h ILE 2 N 0.00 1.12 -0.90 1.53 2.10 -1.69 -0.21 117.51 119.46 1y75 h ILE 2 Ca 0.00 -0.23 -0.01 0.00 1.08 0.00 0.00 64.86 65.70 1y75 h ILE 2 Cb 0.00 0.49 -0.04 0.00 -1.09 0.00 0.00 36.82 36.18 1y75 h ILE 2 CO 0.00 0.12 0.52 0.11 -1.08 0.00 0.00 178.15 177.82 1y75 h LYS 3 N 0.59 1.24 -0.01 2.19 6.56 -1.97 0.23 116.57 125.39 1y75 h LYS 3 Ca 0.16 -0.13 -0.15 0.00 -1.06 0.00 0.00 60.65 59.47 1y75 h LYS 3 Cb -0.05 -0.25 -0.02 0.00 -0.57 0.00 0.00 32.23 31.34 1y75 h LYS 3 CO -0.03 0.88 -0.70 1.96 -2.06 0.00 0.00 179.45 179.50 1y75 h GLN 4 N 1.25 0.09 -0.27 3.15 4.20 -1.71 -3.00 115.11 118.81 1y75 h GLN 4 Ca 0.32 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.84 1y75 h GLN 4 Cb -0.02 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 1y75 h GLN 4 CO -0.06 0.75 -0.27 0.35 -0.67 0.00 0.00 178.83 178.93 1y75 h PHE 5 N 0.06 0.80 -0.76 2.96 3.57 -0.29 0.54 116.94 123.82 1y75 h PHE 5 Ca -0.01 -0.24 0.13 0.00 3.53 0.00 0.00 57.97 61.37 1y75 h PHE 5 Cb 1.25 -0.17 -0.09 0.00 2.79 0.00 0.00 35.95 39.73 1y75 h PHE 5 CO 0.01 0.97 0.35 -0.91 -2.23 0.00 0.00 178.31 176.50 1y75 h ASN 6 N 0.40 0.39 0.02 0.41 -0.26 -0.51 -0.14 115.58 115.89 1y75 h ASN 6 Ca 0.04 0.09 -0.21 0.00 -0.56 0.00 0.00 56.30 55.66 1y75 h ASN 6 Cb 0.84 0.04 0.01 0.00 -1.06 0.00 0.00 38.32 38.14 1y75 h ASN 6 CO 0.07 0.18 -0.78 0.78 -1.06 0.00 0.00 177.43 176.62 1y75 h ASN 7 N 0.53 0.77 -0.41 5.81 2.35 -1.39 -3.08 115.58 120.17 1y75 h ASN 7 Ca 0.40 -0.51 0.09 0.00 -0.55 0.00 0.00 56.30 55.73 1y75 h ASN 7 Cb 0.55 -0.23 -0.09 0.00 0.05 0.00 0.00 38.32 38.60 1y75 h ASN 7 CO -0.35 1.29 -0.16 0.24 -1.65 0.00 0.00 177.43 176.80 1y75 h MET 8 N 0.43 -0.08 -0.75 0.81 2.86 0.39 -0.78 114.93 117.82 1y75 h MET 8 Ca -0.05 0.01 0.17 0.00 -2.06 0.00 0.00 59.70 57.76 1y75 h MET 8 Cb 1.39 0.02 -0.12 0.00 0.06 0.00 0.00 31.60 32.95 1y75 h MET 8 CO 0.15 -0.05 0.15 0.82 1.06 0.00 0.00 176.91 179.04 1y75 h ILE 9 N -0.08 0.47 0.00 -1.22 2.04 -1.01 -0.41 117.51 117.30 1y75 h ILE 9 Ca 0.20 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.91 1y75 h ILE 9 Cb 0.39 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1y75 h ILE 9 CO -0.47 0.04 -0.33 1.56 0.00 0.00 0.00 178.15 178.96 1y75 h GLN 10 N 0.24 0.00 -0.27 2.37 4.20 -1.09 -0.85 115.11 119.71 1y75 h GLN 10 Ca 0.43 0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.16 1y75 h GLN 10 Cb 0.75 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.50 1y75 h GLN 10 CO -0.55 0.33 0.09 0.00 -0.67 0.00 0.00 178.83 178.03 1y75 h THR 12 N 0.21 0.87 -2.08 0.00 1.35 -1.43 -3.25 112.91 108.58 1y75 h THR 12 Ca 0.12 -2.42 -0.56 0.00 -0.55 0.00 0.00 66.41 63.00 1y75 h THR 12 Cb 0.09 2.35 -0.40 0.00 -1.73 0.00 0.00 68.15 68.45 1y75 h THR 12 CO -0.12 0.49 -0.94 0.52 -0.25 0.00 0.00 175.52 175.22 1y75 n VAL 13 N -3.09 0.57 -0.00 6.82 0.31 -0.33 -4.80 118.33 117.79 1y75 n VAL 13 Ca -0.06 -4.57 0.12 0.00 -0.01 0.00 0.00 64.34 59.82 1y75 n VAL 13 Cb 0.86 -1.69 0.55 0.00 -0.91 0.00 0.00 33.84 32.64 1y75 n VAL 13 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1y75 h PRO 14 N 3.81 0.28 0.00 5.55 0.11 -1.13 -1.21 132.00 139.41 1y75 h PRO 14 Ca 0.12 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1y75 h PRO 14 Cb 0.80 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1y75 h PRO 14 CO 0.60 0.19 0.00 0.00 -0.21 0.00 0.00 178.00 178.58 1y75 n ALA 15 N -2.54 1.50 -2.46 -0.75 0.00 -1.26 -4.75 120.51 110.25 1y75 n ALA 15 Ca 0.07 -0.04 -0.23 0.00 0.00 0.00 0.00 53.44 53.24 1y75 n ALA 15 Cb 0.33 -1.17 -0.09 0.00 0.00 0.00 0.00 19.45 18.52 1y75 n ALA 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1y75 s ARG 17 N -2.98 1.76 0.30 0.00 0.52 -0.46 -5.17 118.95 112.93 1y75 s ARG 17 Ca 0.05 -2.03 0.08 0.00 -0.52 0.00 0.00 55.73 53.31 1y75 s ARG 17 Cb 0.07 -0.58 -0.06 0.00 0.52 0.00 0.00 34.95 34.90 1y75 s ARG 17 CO 0.19 -0.38 -0.09 -1.54 0.02 0.00 0.00 175.30 173.50 1y75 s SER 18 N -3.52 3.22 0.52 0.23 1.04 -1.26 -4.72 113.70 109.22 1y75 s SER 18 Ca 0.30 -1.18 0.18 0.00 0.48 0.00 0.00 55.95 55.74 1y75 s SER 18 Cb 0.05 -0.25 1.30 0.00 0.10 0.00 0.00 66.02 67.22 1y75 s SER 18 CO 0.15 -0.25 2.12 4.11 0.98 0.00 0.00 173.24 180.35 1y75 h TRP 19 N 2.18 0.00 -0.55 5.02 5.08 -1.94 -2.11 115.95 123.63 1y75 h TRP 19 Ca -0.41 0.00 0.16 0.00 1.08 0.00 0.00 58.89 59.72 1y75 h TRP 19 Cb 1.24 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.38 1y75 h TRP 19 CO 0.73 0.00 0.41 -1.49 -1.28 0.00 0.00 178.44 176.81 1y75 h TRP 20 N 0.00 0.00 0.00 0.12 4.06 -1.96 0.46 115.95 118.63 1y75 h TRP 20 Ca 0.05 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.00 1y75 h TRP 20 Cb 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.37 1y75 h TRP 20 CO 0.00 0.00 0.00 -0.44 -3.56 0.00 0.00 178.44 174.44 1y75 h ASP 21 N 0.00 0.00 -0.01 -3.49 3.32 -1.79 -2.22 116.42 112.23 1y75 h ASP 21 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1y75 h ASP 21 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1y75 h ASP 21 CO -0.00 0.00 -0.44 0.49 -1.72 0.00 0.00 179.24 177.56 1y75 n PHE 22 N -2.72 0.00 0.14 4.55 3.72 0.15 -4.49 117.46 118.81 1y75 n PHE 22 Ca -0.00 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.43 1y75 n PHE 22 Cb 0.19 0.00 0.42 0.00 -0.94 0.00 0.00 39.48 39.15 1y75 n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1y75 h ALA 23 N 2.15 1.55 -2.04 4.37 0.00 -0.70 -3.32 119.26 121.28 1y75 h ALA 23 Ca 0.00 -0.19 -0.50 0.00 0.00 0.00 0.00 54.91 54.22 1y75 h ALA 23 Cb 0.40 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 17.71 1y75 h ALA 23 CO 0.00 0.32 -1.11 -3.47 0.00 0.00 0.00 179.25 174.99 1y75 n ASP 24 N -4.29 1.32 -4.13 0.00 2.03 -1.19 -3.61 116.55 106.68 1y75 n ASP 24 Ca -0.01 -3.09 -0.28 0.00 0.52 0.00 0.00 54.79 51.93 1y75 n ASP 24 Cb 0.26 -0.61 -0.17 0.00 -0.72 0.00 0.00 41.12 39.88 1y75 n ASP 24 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1y75 s TYR 25 N -2.50 2.00 0.00 -0.67 6.14 -0.95 -1.43 117.35 119.94 1y75 s TYR 25 Ca 0.41 -0.75 0.00 0.00 0.64 0.00 0.00 57.07 57.37 1y75 s TYR 25 Cb 0.33 -1.37 0.00 0.00 0.42 0.00 0.00 41.96 41.34 1y75 s TYR 25 CO -0.09 -0.31 0.00 0.41 0.64 0.00 0.00 175.55 176.20 1y75 n GLY 26 N 3.54 0.99 0.96 8.97 0.00 0.86 -2.39 105.19 118.13 1y75 n GLY 26 Ca -0.20 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.29 1y75 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y75 n TYR 28 N 1.26 0.00 -1.71 0.00 4.01 -1.25 -3.18 117.16 116.30 1y75 n TYR 28 Ca 0.15 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.70 1y75 n TYR 28 Cb 0.55 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.51 1y75 n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1y75 n GLY 30 N 6.73 1.97 0.00 0.00 0.00 -1.24 -2.25 105.19 110.41 1y75 n GLY 30 Ca 0.44 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1y75 n GLY 30 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1y75 n SER 31 N 0.00 0.00 -3.63 1.61 2.88 -0.93 -5.05 113.62 108.49 1y75 n SER 31 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1y75 n SER 31 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1y75 n SER 31 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1y75 s GLY 33 N 0.00 -0.39 0.00 0.46 0.00 -1.26 -4.71 107.32 101.42 1y75 s GLY 33 Ca 0.00 2.35 0.00 0.00 0.00 0.00 0.00 44.72 47.07 1y75 s GLY 33 CO 0.00 1.90 0.00 -1.26 0.00 0.00 0.00 173.10 173.74 1y75 n SER 34 N 2.76 0.00 0.00 1.64 2.88 -1.19 -5.03 113.62 114.68 1y75 n SER 34 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1y75 n SER 34 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1y75 n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1y75 n GLY 35 N -0.97 -1.61 3.65 0.46 0.00 -1.01 -4.63 105.19 101.08 1y75 n GLY 35 Ca 0.00 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 1y75 n GLY 35 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y75 s SER 36 N -4.00 6.16 0.81 1.61 0.15 -1.26 -5.00 113.70 112.17 1y75 s SER 36 Ca 0.00 0.16 -0.17 0.00 0.70 0.00 0.00 55.95 56.64 1y75 s SER 36 Cb 0.00 -2.13 -0.13 0.00 -1.71 0.00 0.00 66.02 62.05 1y75 s SER 36 CO 0.00 0.02 -0.41 -2.65 1.20 0.00 0.00 173.24 171.40 1y75 n PRO 37 N 4.47 0.01 -0.07 5.44 -0.02 -1.26 -4.78 135.00 138.79 1y75 n PRO 37 Ca -0.14 0.01 -0.07 0.00 -2.02 0.00 0.00 63.50 61.28 1y75 n PRO 37 Cb 0.52 -1.11 -0.10 0.00 -0.02 0.00 0.00 33.50 32.78 1y75 n PRO 37 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1y75 n VAL 38 N -2.22 0.92 -3.15 -1.45 0.31 -1.26 -5.01 118.33 106.48 1y75 n VAL 38 Ca 0.03 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1y75 n VAL 38 Cb 0.52 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 1y75 n VAL 38 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1y75 n ASP 39 N -2.58 0.00 0.04 4.52 5.68 -1.26 -4.99 116.55 117.96 1y75 n ASP 39 Ca -0.23 -0.88 -0.11 0.00 -0.50 0.00 0.00 54.79 53.07 1y75 n ASP 39 Cb 0.91 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.83 1y75 n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1y75 h ASP 40 N 0.00 -0.14 0.13 -1.12 3.32 -1.98 -1.89 116.42 114.73 1y75 h ASP 40 Ca 0.00 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.09 1y75 h ASP 40 Cb 0.00 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1y75 h ASP 40 CO 0.00 -0.07 -0.31 0.25 -1.72 0.00 0.00 179.24 177.39 1y75 h LEU 41 N -0.08 -0.89 -1.46 1.55 5.85 -1.91 0.21 115.31 118.58 1y75 h LEU 41 Ca 0.02 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1y75 h LEU 41 Cb 0.11 0.34 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1y75 h LEU 41 CO -0.06 -0.40 0.08 -0.78 -0.34 0.00 0.00 178.44 176.94 1y75 h ASP 42 N -0.53 0.00 0.10 1.25 3.58 -1.87 0.04 116.42 118.99 1y75 h ASP 42 Ca 0.03 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.20 1y75 h ASP 42 Cb 0.56 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 1y75 h ASP 42 CO -0.18 0.00 -1.48 -0.09 -2.88 0.00 0.00 179.24 174.62 1y75 h ARG 43 N 0.00 0.21 -0.98 0.28 9.65 0.14 -3.10 114.38 120.58 1y75 h ARG 43 Ca 0.00 -0.36 0.26 0.00 -1.10 0.00 0.00 59.98 58.78 1y75 h ARG 43 Cb 0.16 0.13 -0.13 0.00 -1.39 0.00 0.00 29.97 28.74 1y75 h ARG 43 CO 0.00 1.17 0.54 0.00 2.80 0.00 0.00 179.97 184.48 1y75 h GLN 46 N 0.30 -0.45 -0.62 0.00 4.15 -0.43 -2.22 115.11 115.85 1y75 h GLN 46 Ca -0.01 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.54 1y75 h GLN 46 Cb 1.14 0.10 -0.11 0.00 0.21 0.00 0.00 27.48 28.82 1y75 h GLN 46 CO 0.10 -0.30 -0.40 0.28 -1.93 0.00 0.00 178.83 176.59 1y75 h VAL 47 N -0.46 0.11 -0.84 2.39 2.07 -1.43 -0.35 116.25 117.74 1y75 h VAL 47 Ca -0.04 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.64 1y75 h VAL 47 Cb 0.38 0.11 -0.15 0.00 -1.52 0.00 0.00 31.29 30.10 1y75 h VAL 47 CO 0.02 0.00 -0.27 -0.74 0.02 0.00 0.00 177.57 176.61 1y75 h HIS 48 N -0.19 -0.66 -0.72 1.57 -0.00 -1.32 0.77 115.15 114.61 1y75 h HIS 48 Ca 0.21 0.08 -0.00 0.00 -0.00 0.00 0.00 60.37 60.66 1y75 h HIS 48 Cb 0.56 0.42 -0.03 0.00 -0.00 0.00 0.00 27.41 28.35 1y75 h HIS 48 CO -0.70 -0.38 0.45 -0.44 -0.00 0.00 0.00 177.93 176.85 1y75 h ASP 49 N -0.03 0.85 -0.53 3.26 3.32 -0.46 -0.51 116.42 122.32 1y75 h ASP 49 Ca 0.37 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.39 1y75 h ASP 49 Cb 0.61 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1y75 h ASP 49 CO -0.87 0.65 0.33 0.78 -1.72 0.00 0.00 179.24 178.41 1y75 h ASN 50 N 0.98 0.54 -0.45 6.45 2.35 0.12 -0.24 115.58 125.34 1y75 h ASN 50 Ca 0.26 -0.00 0.06 0.00 -0.55 0.00 0.00 56.30 56.07 1y75 h ASN 50 Cb -0.06 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.15 1y75 h ASN 50 CO -0.05 0.38 0.15 0.00 -1.65 0.00 0.00 177.43 176.27 1y75 h TYR 52 N 0.32 -0.35 0.00 0.00 -1.99 -0.22 -0.74 116.97 113.99 1y75 h TYR 52 Ca 0.21 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.94 1y75 h TYR 52 Cb 0.21 0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.08 1y75 h TYR 52 CO -0.16 -0.21 0.00 -0.91 -0.00 0.00 0.00 178.16 176.88 1y75 h ASN 53 N -0.31 0.00 0.70 3.88 2.35 -0.75 0.18 115.58 121.64 1y75 h ASN 53 Ca 0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.49 1y75 h ASN 53 Cb 0.29 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1y75 h ASN 53 CO -0.03 0.00 -1.29 0.00 -1.65 0.00 0.00 177.43 174.46 1y75 h ALA 54 N 2.09 0.33 0.00 -0.83 0.00 -0.28 -3.26 119.26 117.30 1y75 h ALA 54 Ca 0.00 -1.03 -0.09 0.00 0.00 0.00 0.00 54.91 53.79 1y75 h ALA 54 Cb 0.18 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1y75 h ALA 54 CO 0.00 1.20 -0.41 0.78 0.00 0.00 0.00 179.25 180.82 1y75 h GLY 55 N 2.38 0.00 2.00 0.00 0.00 0.53 -2.60 103.07 105.39 1y75 h GLY 55 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1y75 h GLY 55 CO 0.15 0.00 -0.04 -1.33 0.00 0.00 0.00 176.54 175.31 1y75 h GLY 56 N 3.54 0.00 2.00 4.60 0.00 -0.80 0.32 103.07 112.72 1y75 h GLY 56 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1y75 h GLY 56 CO 0.05 0.00 -0.08 -1.33 0.00 0.00 0.00 176.54 175.18 1y75 h GLY 57 N 0.87 0.00 -1.53 4.60 0.00 -1.52 -3.42 103.07 102.07 1y75 h GLY 57 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 1y75 h GLY 57 CO 0.01 0.00 0.35 0.14 0.00 0.00 0.00 176.54 177.03 1y75 s VAL 58 N -3.50 3.20 0.03 4.60 1.01 0.11 -4.94 120.40 120.91 1y75 s VAL 58 Ca 0.03 0.48 -0.30 0.00 0.00 0.00 0.00 61.98 62.19 1y75 s VAL 58 Cb 0.08 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1y75 s VAL 58 CO 0.61 -0.42 0.99 -0.89 0.00 0.00 0.00 175.10 175.39 1y75 s THR 59 N -2.57 4.74 -1.71 3.92 2.01 -1.26 -3.51 115.64 117.25 1y75 s THR 59 Ca 0.65 2.03 0.00 0.00 0.31 0.00 0.00 61.69 64.68 1y75 s THR 59 Cb -0.19 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.02 1y75 s THR 59 CO 0.48 0.19 0.00 0.61 -0.69 0.00 0.00 174.62 175.22 1y75 n GLY 60 N 2.76 0.07 3.58 4.40 0.00 -1.26 -4.94 105.19 109.79 1y75 n GLY 60 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1y75 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y75 s ALA 62 N 1.88 2.72 0.12 0.00 0.00 -1.26 -4.46 121.76 120.76 1y75 s ALA 62 Ca 0.10 -2.29 -0.28 0.00 0.00 0.00 0.00 51.96 49.49 1y75 s ALA 62 Cb -0.16 -1.85 -0.09 0.00 0.00 0.00 0.00 23.12 21.02 1y75 s ALA 62 CO 0.11 -1.57 1.46 -1.35 0.00 0.00 0.00 175.76 174.41 1y75 h PRO 63 N 7.68 -0.26 0.00 0.00 0.11 -1.92 0.41 132.00 138.02 1y75 h PRO 63 Ca -0.08 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1y75 h PRO 63 Cb 1.03 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1y75 h PRO 63 CO 0.50 -0.18 0.05 0.87 -0.21 0.00 0.00 178.00 179.04 1y75 h LYS 64 N -0.27 0.00 0.00 1.05 6.56 -1.96 -3.25 116.57 118.70 1y75 h LYS 64 Ca 0.08 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.65 1y75 h LYS 64 Cb 0.47 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.13 1y75 h LYS 64 CO -0.56 0.00 -1.06 0.45 -2.06 0.00 0.00 179.45 176.22 1y75 n SER 65 N -2.52 4.75 -4.69 0.86 2.88 -0.61 -2.67 113.62 111.63 1y75 n SER 65 Ca -0.02 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.10 1y75 n SER 65 Cb 0.10 0.73 -0.03 0.00 -0.75 0.00 0.00 64.21 64.26 1y75 n SER 65 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1y75 s LYS 66 N -2.04 4.32 -0.19 -1.46 2.36 0.14 -4.68 119.74 118.17 1y75 s LYS 66 Ca -0.00 1.83 -0.26 0.00 -2.55 0.00 0.00 55.97 54.99 1y75 s LYS 66 Cb 0.00 -3.55 -0.01 0.00 -1.05 0.00 0.00 37.83 33.22 1y75 s LYS 66 CO 0.04 -0.51 0.87 0.99 1.55 0.00 0.00 175.35 178.29 1y75 s THR 67 N 2.26 4.84 0.50 3.43 2.01 -1.26 -0.44 115.64 126.98 1y75 s THR 67 Ca 0.60 1.69 0.06 0.00 0.31 0.00 0.00 61.69 64.35 1y75 s THR 67 Cb -0.28 -4.16 0.02 0.00 0.01 0.00 0.00 72.50 68.08 1y75 s THR 67 CO 0.25 -0.03 0.39 -0.72 -0.69 0.00 0.00 174.62 173.81 1y75 s TYR 68 N 2.46 1.96 -0.33 4.92 -0.85 -1.26 -4.89 117.35 119.35 1y75 s TYR 68 Ca 0.39 -0.74 -0.05 0.00 -0.52 0.00 0.00 57.07 56.15 1y75 s TYR 68 Cb -0.16 -1.98 0.05 0.00 0.38 0.00 0.00 41.96 40.24 1y75 s TYR 68 CO 0.11 -0.35 0.08 0.99 -1.52 0.00 0.00 175.55 174.86 1y75 s THR 69 N -2.69 3.56 0.35 -3.49 2.01 -1.26 -4.94 115.64 109.19 1y75 s THR 69 Ca 0.39 -1.24 0.03 0.00 0.31 0.00 0.00 61.69 61.18 1y75 s THR 69 Cb -0.02 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 1y75 s THR 69 CO 0.23 -0.19 0.12 -0.72 -0.69 0.00 0.00 174.62 173.38 1y75 s TYR 70 N 1.35 1.75 -0.03 4.92 1.13 -1.26 -0.22 117.35 124.99 1y75 s TYR 70 Ca -0.02 -1.23 -0.08 0.00 -1.41 0.00 0.00 57.07 54.32 1y75 s TYR 70 Cb -0.20 -1.08 0.01 0.00 -1.10 0.00 0.00 41.96 39.60 1y75 s TYR 70 CO 0.01 -0.30 0.19 -2.00 -2.51 0.00 0.00 175.55 170.94 1y75 s GLU 71 N -3.80 0.41 -0.16 -3.49 2.12 0.25 -4.87 118.70 109.16 1y75 s GLU 71 Ca 0.31 -0.09 0.01 0.00 0.36 0.00 0.00 54.97 55.57 1y75 s GLU 71 Cb 0.05 0.18 0.01 0.00 0.26 0.00 0.00 34.13 34.63 1y75 s GLU 71 CO 0.16 -0.09 -0.20 0.00 -0.54 0.00 0.00 175.26 174.59 1y75 s SER 73 N 1.06 3.71 -1.03 0.00 0.15 -0.08 -4.92 113.70 112.59 1y75 s SER 73 Ca -0.01 -1.41 -0.16 0.00 0.70 0.00 0.00 55.95 55.07 1y75 s SER 73 Cb -0.14 -0.67 0.01 0.00 -1.71 0.00 0.00 66.02 63.50 1y75 s SER 73 CO -0.07 -0.41 0.72 1.67 1.20 0.00 0.00 173.24 176.35 1y75 n GLN 74 N 5.00 -1.10 -0.33 5.44 7.27 -1.26 -1.92 117.38 130.47 1y75 n GLN 74 Ca -0.04 0.57 0.00 0.00 0.07 0.00 0.00 57.00 57.60 1y75 n GLN 74 Cb 0.43 -3.55 0.00 0.00 2.41 0.00 0.00 30.24 29.53 1y75 n GLN 74 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1y75 n GLY 75 N -1.77 2.08 3.34 1.69 0.00 -1.23 -5.00 105.19 104.30 1y75 n GLY 75 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1y75 n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1y75 s THR 76 N -3.11 3.04 0.15 2.61 -1.32 -0.81 -4.40 115.64 111.80 1y75 s THR 76 Ca 0.00 -0.65 -0.07 0.00 -1.21 0.00 0.00 61.69 59.77 1y75 s THR 76 Cb 0.00 -2.30 -0.06 0.00 -1.51 0.00 0.00 72.50 68.63 1y75 s THR 76 CO 0.00 0.50 0.41 -0.76 -2.21 0.00 0.00 174.62 172.57 1y75 s LEU 77 N 0.66 4.26 -0.10 9.08 1.43 -1.26 -0.90 118.68 131.86 1y75 s LEU 77 Ca -0.06 0.69 -0.04 0.00 -1.03 0.00 0.00 54.13 53.68 1y75 s LEU 77 Cb -0.15 -3.33 0.05 0.00 0.03 0.00 0.00 46.19 42.79 1y75 s LEU 77 CO 0.02 0.05 0.21 -0.89 0.23 0.00 0.00 176.35 175.97 1y75 s THR 78 N -1.65 -0.16 -0.05 5.49 2.01 0.40 -4.97 115.64 116.71 1y75 s THR 78 Ca 0.41 0.22 -0.16 0.00 0.31 0.00 0.00 61.69 62.47 1y75 s THR 78 Cb -0.12 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 72.00 1y75 s THR 78 CO 0.23 0.09 0.43 0.00 -0.69 0.00 0.00 174.62 174.68 1y75 s SER 80 N -0.39 4.84 0.15 0.00 0.01 0.70 -4.95 113.70 114.05 1y75 s SER 80 Ca 0.24 0.94 0.02 0.00 1.31 0.00 0.00 55.95 58.46 1y75 s SER 80 Cb -0.16 -1.57 -0.05 0.00 0.21 0.00 0.00 66.02 64.45 1y75 s SER 80 CO 0.12 -1.71 1.34 1.23 0.41 0.00 0.00 173.24 174.63 1y75 h GLY 81 N -0.92 0.22 -0.15 3.44 0.00 -1.98 -3.32 103.07 100.37 1y75 h GLY 81 Ca -0.46 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.45 1y75 h GLY 81 CO 0.65 0.37 0.00 -1.84 0.00 0.00 0.00 176.54 175.72 1y75 n GLU 82 N -3.63 0.26 -2.84 4.80 -0.00 -1.26 -4.76 120.64 113.21 1y75 n GLU 82 Ca -0.04 0.00 -0.41 0.00 -0.00 0.00 0.00 57.16 56.71 1y75 n GLU 82 Cb 0.84 -1.02 -0.04 0.00 -0.00 0.00 0.00 31.44 31.21 1y75 n GLU 82 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1y75 s ASN 83 N -1.58 7.33 0.88 -1.84 0.01 -1.25 -5.01 114.94 113.48 1y75 s ASN 83 Ca 0.00 1.59 -0.11 0.00 -0.71 0.00 0.00 52.86 53.63 1y75 s ASN 83 Cb 0.00 -2.53 0.13 0.00 0.41 0.00 0.00 41.25 39.26 1y75 s ASN 83 CO 0.00 -0.08 1.11 -0.94 -1.51 0.00 0.00 177.10 175.68 1y75 s SER 84 N 0.27 3.34 0.42 -1.22 1.04 -1.26 -4.41 113.70 111.88 1y75 s SER 84 Ca 0.44 1.96 0.25 0.00 0.48 0.00 0.00 55.95 59.07 1y75 s SER 84 Cb -0.21 -2.50 1.28 0.00 0.10 0.00 0.00 66.02 64.69 1y75 s SER 84 CO 0.26 -2.80 1.69 0.00 0.98 0.00 0.00 173.24 173.37 1y75 h ALA 85 N -1.66 2.49 0.01 5.32 0.00 -1.97 0.15 119.26 123.60 1y75 h ALA 85 Ca -0.45 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 1y75 h ALA 85 Cb 1.26 0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.19 1y75 h ALA 85 CO 0.47 -1.03 -0.58 0.00 0.00 0.00 0.00 179.25 178.10 1y75 h ALA 87 N 0.30 0.16 -0.99 0.00 0.00 -1.15 -2.26 119.26 115.32 1y75 h ALA 87 Ca -0.07 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1y75 h ALA 87 Cb 1.31 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 1y75 h ALA 87 CO 0.11 -0.25 0.64 0.00 0.00 0.00 0.00 179.25 179.76 1y75 h ALA 88 N 0.88 1.41 -0.14 0.00 0.00 -0.95 0.28 119.26 120.74 1y75 h ALA 88 Ca 0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1y75 h ALA 88 Cb 0.19 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1y75 h ALA 88 CO -0.00 0.46 -0.11 1.15 0.00 0.00 0.00 179.25 180.75 1y75 h THR 89 N 1.18 1.34 0.31 0.00 2.02 -1.42 -2.09 112.91 114.24 1y75 h THR 89 Ca 0.41 -1.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 1y75 h THR 89 Cb 0.12 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1y75 h THR 89 CO -0.15 0.36 -0.15 0.58 0.37 0.00 0.00 175.52 176.52 1y75 h VAL 90 N -0.05 0.72 -0.50 3.16 2.07 -1.16 -1.24 116.25 119.25 1y75 h VAL 90 Ca 0.02 -0.32 0.09 0.00 0.82 0.00 0.00 66.70 67.31 1y75 h VAL 90 Cb 0.62 0.89 -0.10 0.00 -1.52 0.00 0.00 31.29 31.17 1y75 h VAL 90 CO 0.03 0.07 -0.38 0.00 0.02 0.00 0.00 177.57 177.30 1y75 h ASP 92 N -0.24 0.13 -0.43 0.00 3.58 -1.28 -0.03 116.42 118.15 1y75 h ASP 92 Ca 0.18 0.07 0.08 0.00 0.42 0.00 0.00 57.03 57.79 1y75 h ASP 92 Cb 0.56 0.07 -0.09 0.00 1.72 0.00 0.00 39.33 41.58 1y75 h ASP 92 CO -0.63 0.10 -0.30 0.00 -2.88 0.00 0.00 179.24 175.53 1y75 h ASP 94 N -0.22 0.89 0.39 0.00 3.32 -0.07 -1.33 116.42 119.41 1y75 h ASP 94 Ca 0.19 -0.10 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 1y75 h ASP 94 Cb 0.53 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1y75 h ASP 94 CO -0.55 0.73 -0.56 0.08 -1.72 0.00 0.00 179.24 177.23 1y75 h ARG 95 N 0.98 0.17 -0.20 3.56 0.11 -0.44 0.46 114.38 119.02 1y75 h ARG 95 Ca 0.25 -0.11 -0.14 0.00 0.10 0.00 0.00 59.98 60.08 1y75 h ARG 95 Cb 0.04 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.13 1y75 h ARG 95 CO -0.04 0.69 -0.46 -0.07 0.10 0.00 0.00 179.97 180.18 1y75 h LEU 96 N 0.13 0.55 -0.09 0.08 3.38 -0.90 0.04 115.31 118.50 1y75 h LEU 96 Ca -0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1y75 h LEU 96 Cb 1.02 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1y75 h LEU 96 CO 0.08 0.93 -0.04 0.00 0.09 0.00 0.00 178.44 179.50 1y75 h ALA 97 N 1.09 0.13 -0.70 1.53 0.00 -1.01 -0.15 119.26 120.15 1y75 h ALA 97 Ca 0.02 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.76 1y75 h ALA 97 Cb 0.97 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1y75 h ALA 97 CO 0.09 -0.11 0.40 0.00 0.00 0.00 0.00 179.25 179.62 1y75 h ALA 98 N 0.64 0.94 -0.30 0.00 0.00 -0.74 1.00 119.26 120.80 1y75 h ALA 98 Ca 0.02 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1y75 h ALA 98 Cb 0.48 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1y75 h ALA 98 CO 0.01 0.08 -0.24 0.82 0.00 0.00 0.00 179.25 179.92 1y75 h ILE 99 N 0.73 1.27 -0.07 0.00 2.04 -0.91 -2.64 117.51 117.94 1y75 h ILE 99 Ca 0.31 -1.29 -0.13 0.00 1.00 0.00 0.00 64.86 64.75 1y75 h ILE 99 Cb 0.19 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1y75 h ILE 99 CO -0.18 0.42 -0.53 0.00 0.00 0.00 0.00 178.15 177.86 1y75 h PHE 101 N 0.14 0.80 -0.53 0.00 0.04 -0.55 -2.50 116.94 114.33 1y75 h PHE 101 Ca 0.00 -0.25 -0.00 0.00 2.80 0.00 0.00 57.97 60.52 1y75 h PHE 101 Cb 0.98 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.94 1y75 h PHE 101 CO 0.01 0.99 0.32 0.00 -0.60 0.00 0.00 178.31 179.03 1y75 h ALA 102 N 0.68 1.57 0.00 2.45 0.00 -1.44 -3.00 119.26 119.52 1y75 h ALA 102 Ca 0.04 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1y75 h ALA 102 Cb 0.86 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1y75 h ALA 102 CO 0.07 0.38 -1.03 0.78 0.00 0.00 0.00 179.25 179.45 1y75 h GLY 103 N 0.77 0.00 -1.82 0.00 0.00 -1.50 -3.47 103.07 97.05 1y75 h GLY 103 Ca 0.19 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 47.05 1y75 h GLY 103 CO -0.04 0.00 0.37 0.00 0.00 0.00 0.00 176.54 176.88 1y75 s ALA 104 N -2.80 2.93 0.35 3.60 0.00 -0.95 -5.04 121.76 119.86 1y75 s ALA 104 Ca 0.00 0.33 -0.25 0.00 0.00 0.00 0.00 51.96 52.04 1y75 s ALA 104 Cb 0.09 -3.18 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 1y75 s ALA 104 CO 0.80 -0.39 1.00 -2.14 0.00 0.00 0.00 175.76 175.03 1y75 s PRO 105 N -3.86 4.41 -0.28 0.00 0.02 -1.26 -4.93 135.00 129.10 1y75 s PRO 105 Ca 0.62 1.45 -0.09 0.00 0.02 0.00 0.00 61.00 63.00 1y75 s PRO 105 Cb -0.13 -2.72 -0.02 0.00 0.02 0.00 0.00 34.50 31.66 1y75 s PRO 105 CO 0.29 0.09 0.12 -0.47 -0.33 0.00 0.00 177.00 176.71 1y75 s TYR 106 N -1.60 3.15 -0.32 6.54 6.14 -1.26 -4.49 117.35 125.51 1y75 s TYR 106 Ca 0.53 -0.43 -0.09 0.00 0.64 0.00 0.00 57.07 57.72 1y75 s TYR 106 Cb -0.21 -2.31 0.01 0.00 0.42 0.00 0.00 41.96 39.87 1y75 s TYR 106 CO 0.27 -0.38 0.14 1.21 0.64 0.00 0.00 175.55 177.42 1y75 s ASN 107 N 1.63 5.44 0.43 4.32 3.84 -1.26 -4.96 114.94 124.37 1y75 s ASN 107 Ca 0.06 -0.73 0.14 0.00 0.21 0.00 0.00 52.86 52.54 1y75 s ASN 107 Cb -0.16 -1.96 1.03 0.00 -0.55 0.00 0.00 41.25 39.61 1y75 s ASN 107 CO 0.06 -0.24 1.95 0.44 -2.79 0.00 0.00 177.10 176.51 1y75 h ASP 108 N 8.32 0.39 0.12 -4.21 3.32 -1.97 -0.30 116.42 122.09 1y75 h ASP 108 Ca -0.30 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 1y75 h ASP 108 Cb 1.13 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 1y75 h ASP 108 CO 0.62 0.22 -0.04 0.78 -1.72 0.00 0.00 179.24 179.10 1y75 h ASN 109 N 0.43 0.00 -0.60 6.45 2.35 -2.04 -2.26 115.58 119.91 1y75 h ASN 109 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1y75 h ASN 109 Cb 0.70 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.07 1y75 h ASN 109 CO -0.10 0.04 0.00 0.59 -1.65 0.00 0.00 177.43 176.31 1y75 n ASN 110 N -3.76 5.35 -4.63 5.81 3.02 -0.12 -4.80 115.26 116.13 1y75 n ASN 110 Ca -0.03 -2.75 -0.34 0.00 -0.03 0.00 0.00 54.58 51.43 1y75 n ASN 110 Cb 0.13 -0.64 -0.10 0.00 -0.61 0.00 0.00 39.78 38.55 1y75 n ASN 110 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1y75 s TYR 111 N -2.41 3.05 -1.43 3.10 5.04 -0.85 -0.09 117.35 123.75 1y75 s TYR 111 Ca 0.53 0.09 -0.02 0.00 -2.44 0.00 0.00 57.07 55.24 1y75 s TYR 111 Cb 0.38 -1.76 0.00 0.00 0.35 0.00 0.00 41.96 40.94 1y75 s TYR 111 CO 0.19 0.38 0.20 -1.71 -1.34 0.00 0.00 175.55 173.28 1y75 n ASN 112 N 2.24 -5.26 -4.82 4.32 4.05 -0.52 -4.98 115.26 110.30 1y75 n ASN 112 Ca -0.18 -0.11 -0.33 0.00 0.45 0.00 0.00 54.58 54.42 1y75 n ASN 112 Cb 0.53 -4.24 -0.01 0.00 1.23 0.00 0.00 39.78 37.29 1y75 n ASN 112 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1y75 s ILE 113 N -2.96 4.06 -0.79 -1.44 -4.36 -1.26 -4.97 121.20 109.47 1y75 s ILE 113 Ca 0.10 0.98 -0.26 0.00 -0.26 0.00 0.00 60.65 61.21 1y75 s ILE 113 Cb -0.04 -3.50 0.03 0.00 1.25 0.00 0.00 42.46 40.20 1y75 s ILE 113 CO 0.12 -0.56 1.34 -0.62 0.24 0.00 0.00 174.94 175.46 1y75 s ASP 114 N -2.87 6.19 0.33 4.36 3.68 -1.26 -4.87 116.67 122.23 1y75 s ASP 114 Ca 0.62 -0.63 0.03 0.00 2.13 0.00 0.00 52.55 54.70 1y75 s ASP 114 Cb -0.14 -2.56 0.62 0.00 -1.45 0.00 0.00 42.92 39.39 1y75 s ASP 114 CO 0.35 -1.80 1.93 -0.07 0.13 0.00 0.00 175.17 175.71 1y75 h LEU 115 N 13.14 0.81 0.00 -1.34 3.38 -1.93 -2.17 115.31 127.19 1y75 h LEU 115 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1y75 h LEU 115 Cb 1.05 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1y75 h LEU 115 CO 1.31 0.52 0.01 1.17 0.09 0.00 0.00 178.44 181.54 1y75 n LYS 116 N -4.48 0.00 0.00 1.13 4.81 -1.26 -0.83 118.16 117.52 1y75 n LYS 116 Ca 0.12 0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 1y75 n LYS 116 Cb 0.21 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 33.75 1y75 n LYS 116 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1y75 n SER 117 N -1.17 0.05 0.00 3.14 3.41 -0.83 -4.83 113.62 113.39 1y75 n SER 117 Ca 0.00 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 1y75 n SER 117 Cb 0.01 0.61 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1y75 n SER 117 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1y75 n ARG 118 N -0.62 2.52 -0.36 4.33 5.12 -0.69 -4.83 116.66 122.14 1y75 n ARG 118 Ca 0.00 -0.13 0.08 0.00 -1.93 0.00 0.00 57.85 55.87 1y75 n ARG 118 Cb 0.00 -0.52 0.17 0.00 -1.16 0.00 0.00 32.46 30.95 1y75 n ARG 118 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70