#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gar s ASN 2 N 0.00 6.53 -0.12 7.83 0.01 -1.26 -1.26 114.94 126.67 3gar s ASN 2 Ca 0.00 0.63 -0.01 0.00 -0.71 0.00 0.00 52.86 52.77 3gar s ASN 2 Cb 0.00 -2.32 -0.02 0.00 0.41 0.00 0.00 41.25 39.31 3gar s ASN 2 CO 0.00 -0.36 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.53 3gar s ILE 3 N 2.46 3.60 -0.15 0.60 1.01 0.44 0.06 121.20 129.22 3gar s ILE 3 Ca 0.25 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.43 3gar s ILE 3 Cb -0.15 -2.53 0.01 0.00 0.01 0.00 0.00 42.46 39.80 3gar s ILE 3 CO 0.09 0.53 -0.20 -0.69 0.00 0.00 0.00 174.94 174.67 3gar s VAL 4 N 0.01 1.96 -0.10 2.92 1.01 -0.93 -0.06 120.40 125.21 3gar s VAL 4 Ca -0.01 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 3gar s VAL 4 Cb -0.14 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 3gar s VAL 4 CO 0.03 0.53 -0.03 -0.69 0.00 0.00 0.00 175.10 174.94 3gar s VAL 5 N 1.05 3.99 -0.17 2.92 1.01 -0.77 -0.96 120.40 127.47 3gar s VAL 5 Ca -0.02 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 3gar s VAL 5 Cb -0.14 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 3gar s VAL 5 CO -0.06 0.57 -0.06 -0.76 0.00 0.00 0.00 175.10 174.78 3gar s LEU 6 N -0.49 3.00 0.35 3.92 1.02 -0.30 -0.08 118.68 126.09 3gar s LEU 6 Ca 0.08 -0.27 0.04 0.00 0.02 0.00 0.00 54.13 54.00 3gar s LEU 6 Cb -0.12 -1.73 -0.03 0.00 0.02 0.00 0.00 46.19 44.33 3gar s LEU 6 CO 0.02 0.10 0.15 0.27 0.02 0.00 0.00 176.35 176.91 3gar s ILE 7 N 0.74 0.47 0.00 -0.59 -4.36 0.10 -0.80 121.20 116.76 3gar s ILE 7 Ca -0.03 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.36 3gar s ILE 7 Cb -0.15 -2.48 0.00 0.00 1.25 0.00 0.00 42.46 41.09 3gar s ILE 7 CO 0.02 0.00 0.00 -1.20 0.24 0.00 0.00 174.94 174.00 3gar n SER 8 N -1.10 0.00 0.00 4.36 7.64 -1.13 -2.85 113.62 120.54 3gar n SER 8 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 3gar n SER 8 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 3gar n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gar n GLY 9 N 0.10 4.96 0.33 0.23 0.00 -1.26 -4.53 105.19 105.02 3gar n GLY 9 Ca 0.00 -0.80 0.09 0.00 0.00 0.00 0.00 46.02 45.31 3gar n GLY 9 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3gar h ASN 10 N 0.00 -0.62 0.00 1.61 -0.73 -1.93 -2.63 115.58 111.28 3gar h ASN 10 Ca 0.00 0.26 0.00 0.00 1.87 0.00 0.00 56.30 58.43 3gar h ASN 10 Cb 0.00 0.50 0.00 0.00 0.27 0.00 0.00 38.32 39.09 3gar h ASN 10 CO 0.00 -0.30 0.00 0.61 -0.37 0.00 0.00 177.43 177.37 3gar n GLY 11 N -1.52 0.54 0.32 1.57 0.00 -1.26 -2.17 105.19 102.67 3gar n GLY 11 Ca 0.18 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3gar n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gar h SER 12 N 0.00 0.74 0.00 1.61 4.64 -1.93 -0.41 113.55 118.21 3gar h SER 12 Ca 0.00 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 61.12 3gar h SER 12 Cb 0.37 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3gar h SER 12 CO 0.00 0.61 -0.47 0.78 -0.87 0.00 0.00 176.83 176.88 3gar h ASN 13 N 0.84 0.59 -0.54 4.97 2.35 -1.92 -2.15 115.58 119.70 3gar h ASN 13 Ca 0.21 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 3gar h ASN 13 Cb 0.05 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 3gar h ASN 13 CO -0.03 0.97 0.31 0.25 -1.65 0.00 0.00 177.43 177.28 3gar h LEU 14 N 0.44 0.67 -0.70 1.61 6.46 -1.63 -2.09 115.31 120.06 3gar h LEU 14 Ca 0.03 -0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.74 3gar h LEU 14 Cb 0.98 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.70 3gar h LEU 14 CO 0.09 0.55 0.44 -0.61 -0.62 0.00 0.00 178.44 178.29 3gar h GLN 15 N 0.73 0.83 -0.78 1.25 5.75 -0.83 0.15 115.11 122.22 3gar h GLN 15 Ca 0.19 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.65 3gar h GLN 15 Cb 0.02 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.34 3gar h GLN 15 CO -0.03 0.55 0.52 0.00 -2.65 0.00 0.00 178.83 177.22 3gar h ALA 16 N 1.30 1.45 -0.14 3.38 0.00 -0.88 0.21 119.26 124.58 3gar h ALA 16 Ca 0.28 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 3gar h ALA 16 Cb 0.02 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3gar h ALA 16 CO -0.11 0.51 -0.23 0.82 0.00 0.00 0.00 179.25 180.24 3gar h ILE 17 N 1.06 1.37 -0.62 0.00 2.04 -0.63 -1.94 117.51 118.78 3gar h ILE 17 Ca 0.29 -1.48 0.03 0.00 1.00 0.00 0.00 64.86 64.70 3gar h ILE 17 Cb -0.11 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 3gar h ILE 17 CO -0.06 0.44 0.38 0.40 0.00 0.00 0.00 178.15 179.30 3gar h ILE 18 N 0.00 1.07 -0.73 -0.67 2.04 -0.17 -1.53 117.51 117.53 3gar h ILE 18 Ca 0.01 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 3gar h ILE 18 Cb 0.81 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3gar h ILE 18 CO 0.05 0.14 0.30 0.44 0.00 0.00 0.00 178.15 179.08 3gar h ASP 19 N 0.75 1.00 -0.11 1.72 5.19 -0.59 -1.39 116.42 122.99 3gar h ASP 19 Ca 0.25 -0.16 -0.09 0.00 -0.62 0.00 0.00 57.03 56.41 3gar h ASP 19 Cb 0.03 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.26 3gar h ASP 19 CO -0.11 0.89 -0.20 0.00 -3.12 0.00 0.00 179.24 176.70 3gar h ALA 20 N 1.15 1.14 -0.16 3.45 0.00 -0.85 -2.00 119.26 121.98 3gar h ALA 20 Ca 0.24 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.62 3gar h ALA 20 Cb 0.19 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.86 3gar h ALA 20 CO -0.02 0.54 -0.76 0.00 0.00 0.00 0.00 179.25 179.01 3gar h LYS 22 N 0.54 0.67 -0.11 0.00 3.11 -1.03 -0.97 116.57 118.78 3gar h LYS 22 Ca -0.05 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.71 3gar h LYS 22 Cb 1.39 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 32.49 3gar h LYS 22 CO 0.16 0.53 0.00 0.25 -2.81 0.00 0.00 179.45 177.58 3gar n THR 23 N -4.38 0.13 -1.39 1.00 -2.24 -0.77 -4.93 114.28 101.70 3gar n THR 23 Ca 0.04 -0.39 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 3gar n THR 23 Cb 0.13 0.70 -0.06 0.00 -2.10 0.00 0.00 70.33 69.00 3gar n THR 23 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3gar n ASN 24 N 0.60 -4.76 -0.07 3.42 5.15 -0.37 -4.85 115.26 114.38 3gar n ASN 24 Ca 0.17 0.33 -0.03 0.00 -0.60 0.00 0.00 54.58 54.45 3gar n ASN 24 Cb 0.42 -3.44 0.19 0.00 -0.53 0.00 0.00 39.78 36.42 3gar n ASN 24 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 3gar h LYS 25 N 0.02 0.69 -4.85 1.20 3.64 -0.12 -3.35 116.57 113.81 3gar h LYS 25 Ca -0.27 -0.19 -0.67 0.00 -1.27 0.00 0.00 60.65 58.25 3gar h LYS 25 Cb 0.92 -0.08 -0.24 0.00 -0.41 0.00 0.00 32.23 32.42 3gar h LYS 25 CO 0.40 0.73 -0.61 0.42 -2.27 0.00 0.00 179.45 178.13 3gar s ILE 26 N -4.90 4.21 -1.39 2.00 1.01 -0.76 -4.83 121.20 116.54 3gar s ILE 26 Ca -0.09 -0.45 -0.12 0.00 0.00 0.00 0.00 60.65 60.00 3gar s ILE 26 Cb 0.15 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 39.48 3gar s ILE 26 CO 0.80 0.17 2.51 0.29 0.00 0.00 0.00 174.94 178.71 3gar n LYS 27 N 4.91 2.99 -1.69 2.79 4.01 -1.26 -4.36 118.16 125.56 3gar n LYS 27 Ca -0.15 -2.19 -0.00 0.00 -0.51 0.00 0.00 58.31 55.45 3gar n LYS 27 Cb 0.49 -2.92 0.00 0.00 -0.51 0.00 0.00 35.03 32.10 3gar n LYS 27 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3gar n GLY 28 N 3.86 1.31 2.97 0.72 0.00 -1.26 -4.42 105.19 108.37 3gar n GLY 28 Ca 0.63 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 3gar n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gar s THR 29 N -2.56 0.10 -0.51 2.61 2.01 -0.39 -4.75 115.64 112.15 3gar s THR 29 Ca 0.03 -0.79 -0.23 0.00 0.31 0.00 0.00 61.69 61.01 3gar s THR 29 Cb -0.00 -0.23 0.04 0.00 0.01 0.00 0.00 72.50 72.31 3gar s THR 29 CO 0.01 -0.43 0.86 -0.69 -0.69 0.00 0.00 174.62 173.68 3gar s VAL 30 N -1.27 4.53 0.16 3.82 1.01 -1.26 -0.42 120.40 126.97 3gar s VAL 30 Ca -0.14 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.14 3gar s VAL 30 Cb -0.09 -4.44 -0.16 0.00 0.00 0.00 0.00 36.38 31.70 3gar s VAL 30 CO -0.01 -0.94 1.36 0.03 0.00 0.00 0.00 175.10 175.55 3gar h ARG 31 N 9.16 0.22 -2.29 2.72 2.47 -0.84 -3.46 114.38 122.36 3gar h ARG 31 Ca -0.26 -0.24 -0.06 0.00 -1.26 0.00 0.00 59.98 58.16 3gar h ARG 31 Cb 1.08 0.07 -0.18 0.00 -1.65 0.00 0.00 29.97 29.29 3gar h ARG 31 CO 1.03 0.97 0.12 0.00 0.56 0.00 0.00 179.97 182.66 3gar s ALA 32 N -3.20 -1.60 -0.14 0.04 0.00 -1.24 -3.94 121.76 111.68 3gar s ALA 32 Ca -0.03 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.00 3gar s ALA 32 Cb 0.10 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.36 3gar s ALA 32 CO 0.83 -0.41 -0.21 0.08 0.00 0.00 0.00 175.76 176.06 3gar s VAL 33 N -1.58 2.19 -0.10 0.00 1.01 -0.46 -1.85 120.40 119.62 3gar s VAL 33 Ca -0.10 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 3gar s VAL 33 Cb -0.01 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 3gar s VAL 33 CO 0.06 0.54 -0.02 -0.36 0.00 0.00 0.00 175.10 175.32 3gar s PHE 34 N 0.80 3.09 0.00 5.22 0.40 0.89 -1.37 117.98 127.02 3gar s PHE 34 Ca -0.07 0.05 0.03 0.00 -0.60 0.00 0.00 56.93 56.35 3gar s PHE 34 Cb -0.16 -1.81 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 3gar s PHE 34 CO -0.01 0.33 -0.11 0.45 0.70 0.00 0.00 175.22 176.58 3gar s SER 35 N -0.57 1.26 -0.03 1.36 0.15 -0.14 0.01 113.70 115.74 3gar s SER 35 Ca 0.09 -0.25 0.19 0.00 0.70 0.00 0.00 55.95 56.68 3gar s SER 35 Cb -0.12 -0.12 0.60 0.00 -1.71 0.00 0.00 66.02 64.68 3gar s SER 35 CO 0.02 0.09 1.51 -0.46 1.20 0.00 0.00 173.24 175.60 3gar n ASN 36 N 2.58 3.98 -3.84 5.45 2.04 -1.13 -1.27 115.26 123.07 3gar n ASN 36 Ca -0.15 -2.14 -0.23 0.00 -0.44 0.00 0.00 54.58 51.62 3gar n ASN 36 Cb 0.56 -0.47 -0.17 0.00 -2.53 0.00 0.00 39.78 37.17 3gar n ASN 36 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 3gar s LYS 37 N -1.26 0.88 0.36 -3.83 -0.14 -1.26 -4.65 119.74 109.84 3gar s LYS 37 Ca 0.45 -0.04 0.27 0.00 -1.36 0.00 0.00 55.97 55.28 3gar s LYS 37 Cb 0.25 -1.06 1.24 0.00 -1.68 0.00 0.00 37.83 36.58 3gar s LYS 37 CO 0.27 -0.21 1.80 0.00 -0.76 0.00 0.00 175.35 176.45 3gar h ALA 38 N 7.89 1.00 -0.26 5.17 0.00 -1.92 -3.01 119.26 128.13 3gar h ALA 38 Ca -0.28 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 3gar h ALA 38 Cb 1.14 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 3gar h ALA 38 CO 0.36 0.00 -0.03 -0.40 0.00 0.00 0.00 179.25 179.18 3gar n ASP 39 N -2.46 3.13 -4.73 0.00 5.75 -1.26 -5.01 116.55 111.97 3gar n ASP 39 Ca 0.00 -3.33 -0.42 0.00 -0.01 0.00 0.00 54.79 51.04 3gar n ASP 39 Cb 0.17 -0.57 -0.03 0.00 -1.03 0.00 0.00 41.12 39.67 3gar n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gar s ALA 40 N -3.00 3.54 0.00 2.12 0.00 -1.14 -4.88 121.76 118.40 3gar s ALA 40 Ca 0.42 1.09 0.32 0.00 0.00 0.00 0.00 51.96 53.79 3gar s ALA 40 Cb 0.36 -3.50 1.35 0.00 0.00 0.00 0.00 23.12 21.33 3gar s ALA 40 CO 0.04 -0.56 1.94 0.35 0.00 0.00 0.00 175.76 177.54 3gar h PHE 41 N 6.12 0.00 0.00 0.00 3.57 -1.72 -2.62 116.94 122.29 3gar h PHE 41 Ca -0.43 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.03 3gar h PHE 41 Cb 1.21 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.95 3gar h PHE 41 CO 0.64 0.00 -0.16 0.78 -2.23 0.00 0.00 178.31 177.35 3gar h GLY 42 N 1.91 0.00 1.82 2.40 0.00 -1.06 -1.87 103.07 106.26 3gar h GLY 42 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3gar h GLY 42 CO 0.00 0.00 -0.19 1.41 0.00 0.00 0.00 176.54 177.76 3gar h LEU 43 N 0.00 0.21 -0.01 3.11 3.38 -1.75 -0.61 115.31 119.63 3gar h LEU 43 Ca -0.00 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3gar h LEU 43 Cb 0.39 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3gar h LEU 43 CO 0.02 0.42 -0.24 -0.08 0.09 0.00 0.00 178.44 178.65 3gar h GLU 44 N 0.21 0.19 -0.74 1.13 4.81 -1.52 -1.83 114.58 116.82 3gar h GLU 44 Ca 0.04 -0.18 0.12 0.00 -0.13 0.00 0.00 59.36 59.21 3gar h GLU 44 Cb 0.46 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.81 3gar h GLU 44 CO 0.03 0.89 0.33 0.00 -0.73 0.00 0.00 179.01 179.54 3gar h ARG 45 N -0.45 0.51 0.26 1.92 3.08 -1.18 0.27 114.38 118.79 3gar h ARG 45 Ca -0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3gar h ARG 45 Cb 0.97 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.91 3gar h ARG 45 CO 0.05 0.33 -0.13 0.00 -1.07 0.00 0.00 179.97 179.16 3gar h ALA 46 N 1.50 -0.35 -0.90 0.04 0.00 -1.14 -1.77 119.26 116.63 3gar h ALA 46 Ca 0.39 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.26 3gar h ALA 46 Cb 0.52 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 3gar h ALA 46 CO -0.34 -0.59 0.54 -0.09 0.00 0.00 0.00 179.25 178.76 3gar h ARG 47 N -0.58 0.83 0.00 0.00 1.12 -0.68 0.13 114.38 115.21 3gar h ARG 47 Ca -0.04 -0.05 -0.05 0.00 -1.11 0.00 0.00 59.98 58.74 3gar h ARG 47 Cb 0.42 -0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 30.19 3gar h ARG 47 CO 0.06 0.55 -0.23 1.96 -3.11 0.00 0.00 179.97 179.20 3gar h GLN 48 N 0.85 0.00 -0.28 0.20 1.08 -0.36 -1.66 115.11 114.94 3gar h GLN 48 Ca 0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.65 3gar h GLN 48 Cb 0.46 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 3gar h GLN 48 CO -0.27 0.23 0.00 0.00 -0.95 0.00 0.00 178.83 177.84 3gar n ALA 49 N -2.29 2.48 -1.73 3.87 0.00 0.24 -4.90 120.51 118.18 3gar n ALA 49 Ca -0.01 -0.64 -0.09 0.00 0.00 0.00 0.00 53.44 52.71 3gar n ALA 49 Cb 0.37 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 3gar n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gar n GLY 50 N 1.16 0.50 3.70 0.00 0.00 -0.62 -5.02 105.19 104.92 3gar n GLY 50 Ca 0.15 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 3gar n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gar s ILE 51 N -2.38 5.13 0.41 -0.61 1.01 0.07 -4.99 121.20 119.83 3gar s ILE 51 Ca 0.00 0.09 -0.27 0.00 0.00 0.00 0.00 60.65 60.47 3gar s ILE 51 Cb 0.00 -3.32 -0.10 0.00 0.01 0.00 0.00 42.46 39.05 3gar s ILE 51 CO 0.00 0.47 1.46 0.00 0.00 0.00 0.00 174.94 176.87 3gar n ALA 52 N 3.36 2.24 -2.47 9.38 0.00 -1.25 -3.80 120.51 127.96 3gar n ALA 52 Ca -0.17 0.31 -0.26 0.00 0.00 0.00 0.00 53.44 53.32 3gar n ALA 52 Cb 0.52 -2.41 -0.13 0.00 0.00 0.00 0.00 19.45 17.43 3gar n ALA 52 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gar s THR 53 N -1.15 1.87 -0.04 0.00 -4.23 -1.26 -1.35 115.64 109.48 3gar s THR 53 Ca 0.56 -1.49 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 3gar s THR 53 Cb -0.47 -1.66 0.02 0.00 1.34 0.00 0.00 72.50 71.74 3gar s THR 53 CO 0.61 0.09 -0.03 -1.00 -0.54 0.00 0.00 174.62 173.75 3gar s HIS 54 N -1.01 0.62 -0.23 3.99 3.76 -0.47 -4.96 115.29 117.00 3gar s HIS 54 Ca 0.09 -0.15 0.00 0.00 -0.15 0.00 0.00 55.06 54.85 3gar s HIS 54 Cb -0.10 -0.59 0.03 0.00 1.11 0.00 0.00 32.58 33.04 3gar s HIS 54 CO 0.04 -0.17 -0.11 0.99 -0.85 0.00 0.00 174.74 174.64 3gar s THR 55 N 0.93 2.51 -0.33 1.30 2.01 -1.26 -0.97 115.64 119.83 3gar s THR 55 Ca -0.11 -1.15 -0.05 0.00 0.31 0.00 0.00 61.69 60.68 3gar s THR 55 Cb -0.14 -2.27 0.04 0.00 0.01 0.00 0.00 72.50 70.14 3gar s THR 55 CO -0.00 0.22 0.08 -0.76 -0.69 0.00 0.00 174.62 173.47 3gar s LEU 56 N 1.26 4.22 -0.19 4.42 1.43 -0.39 -4.98 118.68 124.45 3gar s LEU 56 Ca -0.01 -1.16 -0.13 0.00 -1.03 0.00 0.00 54.13 51.80 3gar s LEU 56 Cb -0.17 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 3gar s LEU 56 CO -0.07 -0.31 0.27 -0.63 0.23 0.00 0.00 176.35 175.84 3gar s ILE 57 N 1.37 5.31 0.19 -0.59 -1.09 -1.26 -4.26 121.20 120.87 3gar s ILE 57 Ca -0.02 0.46 -0.12 0.00 -2.23 0.00 0.00 60.65 58.73 3gar s ILE 57 Cb -0.20 -3.61 0.13 0.00 -1.58 0.00 0.00 42.46 37.21 3gar s ILE 57 CO 0.02 0.35 1.70 0.00 -1.23 0.00 0.00 174.94 175.78 3gar h ALA 58 N 7.04 0.55 0.00 9.38 0.00 -1.96 0.64 119.26 134.92 3gar h ALA 58 Ca -0.39 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3gar h ALA 58 Cb 1.16 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3gar h ALA 58 CO 0.73 -0.35 0.12 -1.13 0.00 0.00 0.00 179.25 178.62 3gar n SER 59 N -5.17 0.38 -0.78 0.00 3.41 -1.26 -0.70 113.62 109.49 3gar n SER 59 Ca 0.06 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.41 3gar n SER 59 Cb 0.28 -0.64 0.31 0.00 -0.26 0.00 0.00 64.21 63.89 3gar n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gar n ALA 60 N -1.64 2.48 -2.47 7.33 0.00 0.22 -4.92 120.51 121.51 3gar n ALA 60 Ca -0.01 -0.69 -0.25 0.00 0.00 0.00 0.00 53.44 52.49 3gar n ALA 60 Cb 0.14 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.47 3gar n ALA 60 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3gar s PHE 61 N -1.69 1.97 0.20 0.00 0.08 0.12 -5.02 117.98 113.63 3gar s PHE 61 Ca 0.34 -0.42 -0.04 0.00 0.12 0.00 0.00 56.93 56.93 3gar s PHE 61 Cb 0.19 -1.03 0.13 0.00 -0.57 0.00 0.00 43.02 41.74 3gar s PHE 61 CO 0.28 0.31 1.56 -0.44 -0.10 0.00 0.00 175.22 176.82 3gar h ASP 62 N 3.70 0.73 -5.48 1.36 3.32 -1.91 -3.47 116.42 114.66 3gar h ASP 62 Ca -0.46 -0.33 -0.22 0.00 0.02 0.00 0.00 57.03 56.05 3gar h ASP 62 Cb 1.19 -0.20 -0.10 0.00 0.22 0.00 0.00 39.33 40.44 3gar h ASP 62 CO 0.44 1.04 -0.27 -0.94 -1.72 0.00 0.00 179.24 177.79 3gar s SER 63 N -6.85 0.53 0.17 6.45 1.04 -1.26 -5.04 113.70 108.74 3gar s SER 63 Ca -0.09 -1.32 -0.11 0.00 0.48 0.00 0.00 55.95 54.91 3gar s SER 63 Cb 0.12 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.87 3gar s SER 63 CO 0.84 -1.16 1.63 -0.09 0.98 0.00 0.00 173.24 175.45 3gar h ARG 64 N 2.25 0.98 -0.46 4.02 2.43 -1.97 -2.76 114.38 118.87 3gar h ARG 64 Ca -0.29 -0.30 -0.09 0.00 -0.81 0.00 0.00 59.98 58.50 3gar h ARG 64 Cb 1.24 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 3gar h ARG 64 CO 0.40 0.97 -0.06 0.93 -1.51 0.00 0.00 179.97 180.70 3gar h GLU 65 N 0.86 0.80 -0.75 0.20 3.07 -1.99 -2.35 114.58 114.43 3gar h GLU 65 Ca 0.16 -0.25 -0.02 0.00 -0.50 0.00 0.00 59.36 58.75 3gar h GLU 65 Cb 0.51 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.31 3gar h GLU 65 CO 0.02 0.85 0.37 0.00 -1.40 0.00 0.00 179.01 178.85 3gar h ALA 66 N 1.19 1.24 0.09 3.43 0.00 -1.93 -0.40 119.26 122.89 3gar h ALA 66 Ca 0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gar h ALA 66 Cb 0.54 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3gar h ALA 66 CO 0.03 0.59 -0.04 -0.92 0.00 0.00 0.00 179.25 178.91 3gar h TYR 67 N 1.06 -0.11 -0.31 0.00 5.03 -1.19 -2.26 116.97 119.18 3gar h TYR 67 Ca 0.26 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.54 3gar h TYR 67 Cb 0.09 0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.39 3gar h TYR 67 CO 0.01 0.16 0.09 -0.44 -1.32 0.00 0.00 178.16 176.66 3gar h ASP 68 N -0.37 0.40 -0.51 -2.11 5.19 -1.20 -0.02 116.42 117.81 3gar h ASP 68 Ca -0.01 -0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.24 3gar h ASP 68 Cb 0.31 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.70 3gar h ASP 68 CO 0.02 0.40 -0.14 0.03 -3.12 0.00 0.00 179.24 176.43 3gar h ARG 69 N 0.44 1.00 -0.32 3.56 3.08 -0.96 0.57 114.38 121.77 3gar h ARG 69 Ca 0.11 -0.38 -0.18 0.00 0.07 0.00 0.00 59.98 59.59 3gar h ARG 69 Cb 0.15 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3gar h ARG 69 CO -0.01 1.06 -0.51 0.00 -1.07 0.00 0.00 179.97 179.45 3gar h ALA 70 N 0.94 0.49 -0.03 0.04 0.00 -0.84 -1.97 119.26 117.89 3gar h ALA 70 Ca 0.13 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 3gar h ALA 70 Cb 0.71 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3gar h ALA 70 CO 0.05 0.68 0.01 1.25 0.00 0.00 0.00 179.25 181.24 3gar h LEU 71 N 0.70 0.04 -0.30 0.00 5.85 -0.81 -1.12 115.31 119.66 3gar h LEU 71 Ca 0.03 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3gar h LEU 71 Cb 1.12 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 3gar h LEU 71 CO 0.12 0.17 0.19 0.40 -0.34 0.00 0.00 178.44 178.99 3gar h ILE 72 N -0.10 1.07 0.08 4.05 2.04 -0.92 -1.10 117.51 122.63 3gar h ILE 72 Ca 0.01 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3gar h ILE 72 Cb 0.15 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3gar h ILE 72 CO -0.00 0.07 -0.13 -0.74 0.00 0.00 0.00 178.15 177.35 3gar h HIS 73 N 0.40 -0.33 -0.40 1.37 2.76 -1.23 -0.34 115.15 117.38 3gar h HIS 73 Ca 0.11 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.21 3gar h HIS 73 Cb -0.03 0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 3gar h HIS 73 CO -0.06 -0.19 -0.10 0.93 -1.30 0.00 0.00 177.93 177.21 3gar h GLU 74 N -0.25 0.70 -0.17 5.26 5.08 -1.13 -2.84 114.58 121.23 3gar h GLU 74 Ca 0.02 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 3gar h GLU 74 Cb 0.27 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3gar h GLU 74 CO -0.07 0.78 -0.10 0.82 -1.00 0.00 0.00 179.01 179.44 3gar h ILE 75 N 0.64 1.32 -0.00 3.13 2.04 -1.03 -3.00 117.51 120.60 3gar h ILE 75 Ca 0.11 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.80 3gar h ILE 75 Cb 0.54 1.73 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3gar h ILE 75 CO 0.03 0.35 0.01 0.44 0.00 0.00 0.00 178.15 178.98 3gar h ASP 76 N 0.03 0.00 0.47 1.72 5.19 -0.96 -1.23 116.42 121.64 3gar h ASP 76 Ca 0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 3gar h ASP 76 Cb 0.59 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.10 3gar h ASP 76 CO 0.03 0.00 0.00 0.24 -3.12 0.00 0.00 179.24 176.39 3gar h MET 77 N 0.00 0.00 -0.12 3.56 2.86 -1.35 -1.37 114.93 118.50 3gar h MET 77 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3gar h MET 77 Cb 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 3gar h MET 77 CO -0.00 0.00 0.00 0.66 1.06 0.00 0.00 176.91 178.63 3gar n TYR 78 N -2.46 0.13 -3.82 -0.22 4.01 -0.47 -4.99 117.16 109.34 3gar n TYR 78 Ca 0.00 -0.07 -0.36 0.00 -0.16 0.00 0.00 57.90 57.31 3gar n TYR 78 Cb 0.16 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.23 3gar n TYR 78 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gar n ALA 79 N 1.35 -2.59 -1.77 -0.72 0.00 -0.52 -4.88 120.51 111.38 3gar n ALA 79 Ca 0.16 -0.37 -0.37 0.00 0.00 0.00 0.00 53.44 52.85 3gar n ALA 79 Cb 0.59 -3.36 -0.02 0.00 0.00 0.00 0.00 19.45 16.67 3gar n ALA 79 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3gar s PRO 80 N -6.41 3.97 0.07 0.00 0.04 -1.26 -4.67 135.00 126.74 3gar s PRO 80 Ca 0.45 1.73 0.20 0.00 0.04 0.00 0.00 61.00 63.42 3gar s PRO 80 Cb -0.20 -2.54 -0.13 0.00 0.04 0.00 0.00 34.50 31.67 3gar s PRO 80 CO 0.90 -0.37 0.78 -0.25 0.04 0.00 0.00 177.00 178.11 3gar n ASP 81 N -0.18 0.65 -3.70 6.66 9.92 0.11 -4.91 116.55 125.11 3gar n ASP 81 Ca 0.06 0.27 -0.13 0.00 -0.53 0.00 0.00 54.79 54.46 3gar n ASP 81 Cb 0.48 0.62 -0.09 0.00 -0.64 0.00 0.00 41.12 41.49 3gar n ASP 81 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3gar s VAL 82 N -3.13 -0.00 -0.22 2.53 0.11 -1.14 -4.80 120.40 113.73 3gar s VAL 82 Ca -0.04 0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 58.99 3gar s VAL 82 Cb 0.10 -0.72 -0.00 0.00 -1.53 0.00 0.00 36.38 34.22 3gar s VAL 82 CO 0.82 0.00 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.86 3gar s VAL 83 N 0.46 3.26 -0.15 2.04 1.01 0.21 -2.20 120.40 125.03 3gar s VAL 83 Ca -0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 3gar s VAL 83 Cb -0.04 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 3gar s VAL 83 CO -0.02 0.40 -0.10 0.68 0.00 0.00 0.00 175.10 176.06 3gar s VAL 84 N 1.45 3.20 -0.24 2.92 -7.23 -0.14 -1.15 120.40 119.22 3gar s VAL 84 Ca 0.05 -0.60 -0.19 0.00 -1.81 0.00 0.00 61.98 59.43 3gar s VAL 84 Cb -0.14 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 3gar s VAL 84 CO -0.04 0.50 0.58 -0.76 -0.31 0.00 0.00 175.10 175.07 3gar s LEU 85 N 0.60 4.09 -0.57 1.32 1.43 -0.06 -1.15 118.68 124.33 3gar s LEU 85 Ca -0.06 0.67 0.06 0.00 -1.03 0.00 0.00 54.13 53.77 3gar s LEU 85 Cb -0.15 -2.78 0.22 0.00 0.03 0.00 0.00 46.19 43.50 3gar s LEU 85 CO 0.03 -0.30 0.57 0.00 0.23 0.00 0.00 176.35 176.88 3gar n ALA 86 N 5.41 3.36 -0.46 4.21 0.00 0.02 -3.53 120.51 129.52 3gar n ALA 86 Ca -0.02 -4.16 0.00 0.00 0.00 0.00 0.00 53.44 49.26 3gar n ALA 86 Cb 0.49 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3gar n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gar n GLY 87 N 1.56 0.72 3.60 0.00 0.00 -1.26 -4.50 105.19 105.31 3gar n GLY 87 Ca 0.25 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 3gar n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gar s PHE 88 N -2.00 2.56 -0.35 1.61 5.36 -1.25 -2.85 117.98 121.07 3gar s PHE 88 Ca 0.00 0.69 0.00 0.00 -0.96 0.00 0.00 56.93 56.67 3gar s PHE 88 Cb 0.00 -4.35 0.33 0.00 -0.34 0.00 0.00 43.02 38.66 3gar s PHE 88 CO 0.00 -1.70 1.83 -1.33 -1.46 0.00 0.00 175.22 172.56 3gar n MET 89 N 7.98 1.91 -4.97 10.12 2.81 -1.26 -4.89 117.12 128.81 3gar n MET 89 Ca 0.15 -1.93 -0.32 0.00 -1.81 0.00 0.00 57.70 53.78 3gar n MET 89 Cb 0.48 -1.76 -0.15 0.00 -0.71 0.00 0.00 33.22 31.09 3gar n MET 89 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 3gar s ARG 90 N -2.19 2.79 -0.17 0.03 3.52 -1.26 -5.08 118.95 116.59 3gar s ARG 90 Ca 0.37 -0.76 -0.29 0.00 -0.13 0.00 0.00 55.73 54.92 3gar s ARG 90 Cb 0.30 -2.39 -0.02 0.00 -1.56 0.00 0.00 34.95 31.28 3gar s ARG 90 CO 0.02 0.42 1.40 0.96 -0.81 0.00 0.00 175.30 177.29 3gar s ILE 91 N -0.22 4.04 0.32 4.11 -5.25 -1.26 -4.98 121.20 117.95 3gar s ILE 91 Ca -0.00 1.23 -0.27 0.00 -0.99 0.00 0.00 60.65 60.62 3gar s ILE 91 Cb -0.13 -3.87 -0.09 0.00 2.95 0.00 0.00 42.46 41.31 3gar s ILE 91 CO 0.03 -0.19 0.99 -0.76 -1.79 0.00 0.00 174.94 173.22 3gar s LEU 92 N 3.97 4.38 0.50 0.37 1.43 -1.26 -5.04 118.68 123.03 3gar s LEU 92 Ca 0.61 1.96 -0.19 0.00 -1.03 0.00 0.00 54.13 55.48 3gar s LEU 92 Cb -0.24 -3.93 -0.08 0.00 0.03 0.00 0.00 46.19 41.97 3gar s LEU 92 CO 0.21 -0.13 1.01 -0.94 0.23 0.00 0.00 176.35 176.73 3gar s SER 93 N -1.44 6.41 0.45 2.29 1.04 -1.26 -4.89 113.70 116.31 3gar s SER 93 Ca 0.49 1.77 0.16 0.00 0.48 0.00 0.00 55.95 58.86 3gar s SER 93 Cb -0.22 -2.54 1.11 0.00 0.10 0.00 0.00 66.02 64.47 3gar s SER 93 CO 0.28 -0.73 1.99 -0.65 0.98 0.00 0.00 173.24 175.11 3gar h PRO 94 N 1.24 0.31 -0.49 4.02 0.11 -1.99 -0.90 132.00 134.29 3gar h PRO 94 Ca -0.48 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 3gar h PRO 94 Cb 1.20 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3gar h PRO 94 CO 0.60 0.20 0.01 0.00 -0.21 0.00 0.00 178.00 178.60 3gar h ALA 95 N 1.72 0.66 -0.01 -0.75 0.00 -1.99 -1.40 119.26 117.48 3gar h ALA 95 Ca 0.26 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gar h ALA 95 Cb 0.61 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3gar h ALA 95 CO -0.06 0.45 0.01 0.35 0.00 0.00 0.00 179.25 180.00 3gar h PHE 96 N 0.72 0.02 -0.61 0.00 3.04 -1.57 -1.50 116.94 117.03 3gar h PHE 96 Ca 0.14 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.16 3gar h PHE 96 Cb 0.49 -0.01 -0.06 0.00 2.56 0.00 0.00 35.95 38.94 3gar h PHE 96 CO 0.04 0.13 0.31 0.28 -2.02 0.00 0.00 178.31 177.05 3gar h VAL 97 N -0.10 0.91 -0.61 1.41 2.07 -1.22 -1.94 116.25 116.77 3gar h VAL 97 Ca 0.00 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3gar h VAL 97 Cb 0.12 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 3gar h VAL 97 CO -0.00 0.10 0.25 0.28 0.02 0.00 0.00 177.57 178.22 3gar h SER 98 N 0.56 0.81 -0.45 0.57 0.02 -1.07 -2.68 113.55 111.32 3gar h SER 98 Ca 0.29 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3gar h SER 98 Cb 0.24 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3gar h SER 98 CO -0.21 0.73 0.24 -0.74 -1.14 0.00 0.00 176.83 175.70 3gar h HIS 99 N 0.88 0.65 -0.53 3.45 6.17 -0.47 -2.61 115.15 122.68 3gar h HIS 99 Ca 0.21 -0.01 -0.22 0.00 0.71 0.00 0.00 60.37 61.06 3gar h HIS 99 Cb 0.17 -0.21 -0.13 0.00 2.52 0.00 0.00 27.41 29.76 3gar h HIS 99 CO 0.01 0.47 0.14 0.66 0.71 0.00 0.00 177.93 179.93 3gar n TYR 100 N -4.40 1.69 0.00 5.26 4.01 -1.05 -4.99 117.16 117.68 3gar n TYR 100 Ca 0.04 -1.44 0.00 0.00 -0.16 0.00 0.00 57.90 56.34 3gar n TYR 100 Cb 0.11 -0.58 0.00 0.00 -0.31 0.00 0.00 39.34 38.56 3gar n TYR 100 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gar n ALA 101 N -0.84 0.00 -1.11 -0.72 0.00 -0.99 -0.40 120.51 116.46 3gar n ALA 101 Ca 0.38 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.59 3gar n ALA 101 Cb 1.20 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.68 3gar n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gar n GLY 102 N 0.00 4.57 0.00 0.00 0.00 -1.26 -3.63 105.19 104.87 3gar n GLY 102 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3gar n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gar n ARG 103 N 0.13 -0.20 -3.70 1.61 1.74 0.47 -4.73 116.66 111.98 3gar n ARG 103 Ca 0.41 -0.33 -0.38 0.00 -0.77 0.00 0.00 57.85 56.77 3gar n ARG 103 Cb 0.58 -0.73 -0.12 0.00 -1.02 0.00 0.00 32.46 31.17 3gar n ARG 103 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3gar s LEU 104 N -0.07 4.16 0.18 0.55 2.96 -0.86 0.65 118.68 126.25 3gar s LEU 104 Ca 0.00 -0.78 0.07 0.00 -0.22 0.00 0.00 54.13 53.20 3gar s LEU 104 Cb 0.00 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 3gar s LEU 104 CO 0.00 -0.25 0.02 -0.76 -1.32 0.00 0.00 176.35 174.04 3gar s LEU 105 N 1.53 3.40 -0.03 -0.68 1.43 -0.30 -0.52 118.68 123.52 3gar s LEU 105 Ca 0.02 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 52.61 3gar s LEU 105 Cb -0.18 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.03 3gar s LEU 105 CO 0.04 0.08 0.35 0.21 0.23 0.00 0.00 176.35 177.26 3gar s ASN 106 N -3.00 -0.25 -0.15 2.29 3.04 -0.52 -0.88 114.94 115.46 3gar s ASN 106 Ca 0.28 0.20 0.00 0.00 0.04 0.00 0.00 52.86 53.38 3gar s ASN 106 Cb -0.09 0.37 -0.00 0.00 -1.54 0.00 0.00 41.25 39.98 3gar s ASN 106 CO 0.19 -0.44 -0.15 -0.51 -3.04 0.00 0.00 177.10 173.16 3gar s ILE 107 N -1.19 2.67 -0.13 -5.21 2.07 -1.23 -0.88 121.20 117.31 3gar s ILE 107 Ca -0.12 -0.77 0.02 0.00 -1.41 0.00 0.00 60.65 58.36 3gar s ILE 107 Cb -0.05 -2.12 -0.00 0.00 0.13 0.00 0.00 42.46 40.42 3gar s ILE 107 CO 0.04 0.52 -0.18 -2.28 -1.91 0.00 0.00 174.94 171.13 3gar s HIS 108 N 0.76 2.70 -0.03 3.50 5.65 0.11 -4.75 115.29 123.22 3gar s HIS 108 Ca -0.06 -0.94 -0.03 0.00 0.25 0.00 0.00 55.06 54.27 3gar s HIS 108 Cb -0.15 -1.80 -0.14 0.00 -1.18 0.00 0.00 32.58 29.30 3gar s HIS 108 CO 0.01 -0.38 2.21 -0.35 -0.65 0.00 0.00 174.74 175.57 3gar n PRO 109 N 3.69 1.12 -3.48 2.88 -0.04 -1.26 -0.04 135.00 137.87 3gar n PRO 109 Ca -0.19 -0.57 -0.10 0.00 -0.04 0.00 0.00 63.50 62.60 3gar n PRO 109 Cb 0.52 -1.79 -0.02 0.00 -0.04 0.00 0.00 33.50 32.17 3gar n PRO 109 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3gar s SER 110 N 2.48 -0.44 -1.29 3.54 0.15 -0.91 -4.50 113.70 112.73 3gar s SER 110 Ca 0.37 -0.03 -0.16 0.00 0.70 0.00 0.00 55.95 56.83 3gar s SER 110 Cb 0.17 0.49 0.10 0.00 -1.71 0.00 0.00 66.02 65.07 3gar s SER 110 CO -0.00 -0.80 1.71 0.18 1.20 0.00 0.00 173.24 175.53 3gar n LEU 111 N -0.32 5.27 -4.66 3.45 7.99 -1.26 -2.74 117.00 124.73 3gar n LEU 111 Ca -0.12 -4.12 -0.45 0.00 -0.01 0.00 0.00 56.01 51.31 3gar n LEU 111 Cb 0.63 -1.69 -0.03 0.00 -0.11 0.00 0.00 43.42 42.22 3gar n LEU 111 CO 0.11 0.45 1.01 0.18 -1.51 0.00 0.00 177.39 177.63 3gar n LEU 112 N 7.25 3.00 -4.61 2.23 4.77 -1.26 -2.74 117.00 125.63 3gar n LEU 112 Ca 0.46 1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 57.15 3gar n LEU 112 Cb 0.44 -1.41 -0.04 0.00 -2.33 0.00 0.00 43.42 40.08 3gar n LEU 112 CO 0.74 -0.53 0.68 -2.16 -1.33 0.00 0.00 177.39 174.80 3gar s PRO 113 N -0.30 3.94 -0.29 3.23 0.04 -1.26 -4.88 135.00 135.48 3gar s PRO 113 Ca 0.69 0.65 -0.25 0.00 0.04 0.00 0.00 61.00 62.13 3gar s PRO 113 Cb -0.67 -3.75 0.18 0.00 0.04 0.00 0.00 34.50 30.30 3gar s PRO 113 CO 0.49 -0.78 1.36 0.21 0.04 0.00 0.00 177.00 178.32 3gar s LYS 114 N 3.17 0.15 -1.54 4.56 2.20 -1.11 -4.99 119.74 122.19 3gar s LYS 114 Ca 0.36 0.18 -0.01 0.00 -0.36 0.00 0.00 55.97 56.13 3gar s LYS 114 Cb -0.13 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.26 3gar s LYS 114 CO 0.14 -0.02 0.03 0.66 -0.36 0.00 0.00 175.35 175.81 3gar n TYR 115 N 1.69 -1.27 0.49 4.03 4.01 -1.26 -4.35 117.16 120.49 3gar n TYR 115 Ca -0.11 0.60 0.00 0.00 -0.16 0.00 0.00 57.90 58.23 3gar n TYR 115 Cb 0.57 -2.83 0.00 0.00 -0.31 0.00 0.00 39.34 36.77 3gar n TYR 115 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3gar n PRO 116 N -4.60 0.49 0.00 -0.72 -0.02 -1.26 -4.64 135.00 124.24 3gar n PRO 116 Ca -0.32 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.16 3gar n PRO 116 Cb 0.70 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 3gar n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gar n GLY 117 N 0.26 4.31 3.93 -1.23 0.00 -1.26 -5.16 105.19 106.04 3gar n GLY 117 Ca 0.00 -1.65 -0.22 0.00 0.00 0.00 0.00 46.02 44.15 3gar n GLY 117 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gar s LEU 118 N 0.00 3.12 -1.58 0.99 1.43 -1.26 -4.60 118.68 116.78 3gar s LEU 118 Ca 0.00 -0.91 -0.16 0.00 -1.03 0.00 0.00 54.13 52.02 3gar s LEU 118 Cb 0.00 -1.72 0.13 0.00 0.03 0.00 0.00 46.19 44.64 3gar s LEU 118 CO 0.00 -0.95 0.75 1.41 0.23 0.00 0.00 176.35 177.79 3gar n HIS 119 N -1.78 -1.82 -0.19 0.29 8.25 -1.26 -4.84 115.22 113.87 3gar n HIS 119 Ca 0.05 0.74 -0.01 0.00 -0.26 0.00 0.00 57.72 58.23 3gar n HIS 119 Cb 0.62 -3.02 0.09 0.00 1.12 0.00 0.00 29.99 28.80 3gar n HIS 119 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3gar h THR 120 N -1.44 0.77 0.00 1.59 1.35 -1.85 0.00 112.91 113.34 3gar h THR 120 Ca -0.55 -0.13 -0.01 0.00 -0.55 0.00 0.00 66.41 65.17 3gar h THR 120 Cb 1.36 0.37 -0.00 0.00 -1.73 0.00 0.00 68.15 68.15 3gar h THR 120 CO 0.71 0.07 -0.07 0.45 -0.25 0.00 0.00 175.52 176.43 3gar h HIS 121 N 0.37 0.00 -0.08 4.73 3.86 -1.88 -1.04 115.15 121.11 3gar h HIS 121 Ca 0.28 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.40 3gar h HIS 121 Cb 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 3gar h HIS 121 CO -0.18 0.07 -0.30 -0.09 0.86 0.00 0.00 177.93 178.29 3gar h ARG 122 N 0.00 0.34 -0.07 2.45 2.43 -1.38 -3.07 114.38 115.08 3gar h ARG 122 Ca -0.00 -0.26 -0.07 0.00 -0.81 0.00 0.00 59.98 58.84 3gar h ARG 122 Cb 0.16 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3gar h ARG 122 CO 0.01 0.90 -0.27 1.96 -1.51 0.00 0.00 179.97 181.05 3gar h GLN 123 N -0.15 0.12 -0.08 0.20 4.20 -0.83 -1.70 115.11 116.87 3gar h GLN 123 Ca -0.02 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 3gar h GLN 123 Cb 0.94 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 3gar h GLN 123 CO 0.06 0.39 -0.19 0.00 -0.67 0.00 0.00 178.83 178.42 3gar h ALA 124 N 1.61 1.52 0.03 3.87 0.00 -1.20 -1.73 119.26 123.37 3gar h ALA 124 Ca 0.02 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3gar h ALA 124 Cb 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3gar h ALA 124 CO 0.04 0.35 -0.27 1.25 0.00 0.00 0.00 179.25 180.62 3gar h LEU 125 N 0.13 0.11 0.13 0.00 5.85 -1.30 -1.44 115.31 118.80 3gar h LEU 125 Ca 0.02 -0.97 0.01 0.00 0.84 0.00 0.00 57.88 57.79 3gar h LEU 125 Cb 0.42 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 3gar h LEU 125 CO 0.03 1.12 -0.47 -0.33 -0.34 0.00 0.00 178.44 178.45 3gar h GLU 126 N -0.85 -0.67 0.00 1.25 5.08 -1.24 0.28 114.58 118.43 3gar h GLU 126 Ca -0.05 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3gar h GLU 126 Cb 1.17 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3gar h GLU 126 CO 0.03 -0.44 0.13 0.09 -1.00 0.00 0.00 179.01 177.82 3gar n ASN 127 N -5.15 0.26 -1.08 1.42 5.03 -0.66 -4.79 115.26 110.29 3gar n ASN 127 Ca -0.08 0.55 -0.10 0.00 0.87 0.00 0.00 54.58 55.82 3gar n ASN 127 Cb 0.37 -0.55 -0.01 0.00 -1.02 0.00 0.00 39.78 38.57 3gar n ASN 127 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3gar n GLY 128 N -1.33 0.20 3.56 7.41 0.00 0.09 -4.96 105.19 110.15 3gar n GLY 128 Ca -0.01 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 3gar n GLY 128 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gar n ASP 129 N 0.13 0.50 0.07 1.61 9.92 -0.55 -4.91 116.55 123.32 3gar n ASP 129 Ca -0.12 0.97 0.08 0.00 -0.53 0.00 0.00 54.79 55.19 3gar n ASP 129 Cb 0.54 -1.28 -0.05 0.00 -0.64 0.00 0.00 41.12 39.70 3gar n ASP 129 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3gar n GLU 130 N 0.19 0.62 -3.78 -1.24 -0.58 -1.26 -4.64 120.64 109.94 3gar n GLU 130 Ca 0.11 0.12 -0.13 0.00 -0.42 0.00 0.00 57.16 56.84 3gar n GLU 130 Cb 0.40 -1.79 -0.11 0.00 -0.57 0.00 0.00 31.44 29.37 3gar n GLU 130 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 3gar s GLU 131 N -3.23 0.36 0.00 3.49 -1.05 -1.26 -1.35 118.70 115.66 3gar s GLU 131 Ca -0.02 0.32 0.00 0.00 -0.15 0.00 0.00 54.97 55.12 3gar s GLU 131 Cb 0.10 0.17 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 3gar s GLU 131 CO 0.81 -0.05 0.00 1.58 0.95 0.00 0.00 175.26 178.55 3gar n HIS 132 N 2.76 0.00 -3.91 4.83 -0.00 0.28 -4.91 115.22 114.27 3gar n HIS 132 Ca -0.14 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.04 3gar n HIS 132 Cb 0.58 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.45 3gar n HIS 132 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3gar n GLY 133 N 3.07 -0.50 3.13 1.57 0.00 -1.26 -0.56 105.19 110.65 3gar n GLY 133 Ca 0.00 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 3gar n GLY 133 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gar s THR 134 N -3.00 0.18 -0.01 2.61 -1.32 -1.04 -2.15 115.64 110.90 3gar s THR 134 Ca 0.00 -1.45 0.00 0.00 -1.21 0.00 0.00 61.69 59.03 3gar s THR 134 Cb 0.00 -1.33 0.02 0.00 -1.51 0.00 0.00 72.50 69.67 3gar s THR 134 CO 0.00 -0.80 0.01 -0.44 -2.21 0.00 0.00 174.62 171.18 3gar s SER 135 N -2.74 0.06 -0.15 8.08 0.01 0.94 -1.64 113.70 118.27 3gar s SER 135 Ca 0.04 0.02 -0.06 0.00 1.31 0.00 0.00 55.95 57.25 3gar s SER 135 Cb 0.05 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 3gar s SER 135 CO -0.09 -0.06 0.08 -0.69 0.41 0.00 0.00 173.24 172.88 3gar s VAL 136 N 0.54 4.97 0.22 3.43 1.01 0.04 0.03 120.40 130.65 3gar s VAL 136 Ca -0.05 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 3gar s VAL 136 Cb -0.07 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 3gar s VAL 136 CO -0.01 0.54 0.41 -1.38 0.00 0.00 0.00 175.10 174.65 3gar s HIS 137 N -0.31 0.42 0.19 5.22 -0.00 -0.06 0.10 115.29 120.85 3gar s HIS 137 Ca 0.09 -0.76 -0.20 0.00 -0.00 0.00 0.00 55.06 54.19 3gar s HIS 137 Cb -0.12 0.08 -0.08 0.00 -0.00 0.00 0.00 32.58 32.46 3gar s HIS 137 CO 0.01 -0.90 0.70 -0.06 -0.00 0.00 0.00 174.74 174.50 3gar s PHE 138 N -4.01 3.70 -0.28 0.38 0.08 -0.08 -1.44 117.98 116.33 3gar s PHE 138 Ca 0.22 1.39 -0.12 0.00 0.12 0.00 0.00 56.93 58.55 3gar s PHE 138 Cb 0.01 -2.61 -0.05 0.00 -0.57 0.00 0.00 43.02 39.80 3gar s PHE 138 CO 0.07 0.40 0.21 0.08 -0.10 0.00 0.00 175.22 175.88 3gar s VAL 139 N -1.41 5.29 0.19 -0.44 1.01 0.33 -3.84 120.40 121.53 3gar s VAL 139 Ca 0.40 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.62 3gar s VAL 139 Cb -0.18 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 3gar s VAL 139 CO 0.21 0.24 0.01 0.42 0.00 0.00 0.00 175.10 175.98 3gar s THR 140 N 1.79 0.74 -0.98 3.92 -4.23 -0.76 -4.75 115.64 111.38 3gar s THR 140 Ca 0.08 -1.99 -0.03 0.00 -1.18 0.00 0.00 61.69 58.57 3gar s THR 140 Cb -0.16 -2.20 0.25 0.00 1.34 0.00 0.00 72.50 71.74 3gar s THR 140 CO 0.11 -0.41 2.11 -0.67 -0.54 0.00 0.00 174.62 175.22 3gar n ASP 141 N -0.29 7.45 -4.66 3.99 2.03 -1.26 -4.41 116.55 119.39 3gar n ASP 141 Ca -0.06 -3.55 -0.28 0.00 0.52 0.00 0.00 54.79 51.42 3gar n ASP 141 Cb 0.63 -1.20 -0.10 0.00 -0.72 0.00 0.00 41.12 39.74 3gar n ASP 141 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3gar s GLU 142 N -3.27 2.04 0.23 -0.67 0.41 -1.26 -5.03 118.70 111.15 3gar s GLU 142 Ca 0.48 -2.13 -0.12 0.00 -0.41 0.00 0.00 54.97 52.79 3gar s GLU 142 Cb 0.27 -1.67 0.31 0.00 -1.78 0.00 0.00 34.13 31.26 3gar s GLU 142 CO -0.20 -0.12 1.60 -0.07 -0.49 0.00 0.00 175.26 175.98 3gar h LEU 143 N 1.64 -0.75-10.02 1.80 3.38 -2.03 -3.37 115.31 105.96 3gar h LEU 143 Ca -0.44 0.23 -0.51 0.00 0.09 0.00 0.00 57.88 57.25 3gar h LEU 143 Cb 1.26 0.49 -0.02 0.00 0.09 0.00 0.00 40.66 42.47 3gar h LEU 143 CO 0.78 -0.26 0.00 1.51 0.09 0.00 0.00 178.44 180.56 3gar s ASP 144 N -5.24 6.68 0.00 -0.43 -4.77 -1.26 -4.94 116.67 106.70 3gar s ASP 144 Ca -0.15 1.10 0.03 0.00 -3.30 0.00 0.00 52.55 50.23 3gar s ASP 144 Cb 0.22 -2.30 0.20 0.00 -1.09 0.00 0.00 42.92 39.96 3gar s ASP 144 CO 0.75 -0.17 0.59 0.61 0.70 0.00 0.00 175.17 177.65 3gar n GLY 145 N -0.38 -0.14 0.00 2.12 0.00 -1.26 -4.79 105.19 100.73 3gar n GLY 145 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3gar n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gar n GLY 146 N -0.62 3.28 3.75 -0.02 0.00 -1.25 -1.82 105.19 108.50 3gar n GLY 146 Ca 0.03 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 3gar n GLY 146 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gar s PRO 147 N -3.01 4.22 0.27 1.61 0.04 -1.25 -4.65 135.00 132.23 3gar s PRO 147 Ca 0.00 2.39 -0.29 0.00 0.04 0.00 0.00 61.00 63.14 3gar s PRO 147 Cb 0.00 -3.08 -0.09 0.00 0.04 0.00 0.00 34.50 31.37 3gar s PRO 147 CO 0.00 -0.48 1.03 0.08 0.04 0.00 0.00 177.00 177.67 3gar s VAL 148 N -0.06 3.73 -0.21 -0.36 1.01 -1.26 -0.90 120.40 122.34 3gar s VAL 148 Ca 0.60 1.71 -0.04 0.00 0.00 0.00 0.00 61.98 64.25 3gar s VAL 148 Cb -0.44 -4.08 -0.12 0.00 0.00 0.00 0.00 36.38 31.75 3gar s VAL 148 CO 0.45 0.39 -0.23 -0.38 0.00 0.00 0.00 175.10 175.33 3gar n ILE 149 N 1.23 1.20 -3.68 2.22 5.41 0.11 -3.76 119.36 122.09 3gar n ILE 149 Ca -0.01 -0.39 -0.13 0.00 1.00 0.00 0.00 62.75 63.23 3gar n ILE 149 Cb 0.46 -1.49 -0.09 0.00 -0.71 0.00 0.00 39.64 37.81 3gar n ILE 149 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3gar s LEU 150 N -6.65 -0.23 0.09 1.39 2.96 -1.11 -0.70 118.68 114.42 3gar s LEU 150 Ca -0.29 1.15 0.08 0.00 -0.22 0.00 0.00 54.13 54.85 3gar s LEU 150 Cb 0.09 1.91 -0.03 0.00 0.50 0.00 0.00 46.19 48.66 3gar s LEU 150 CO 0.44 -0.20 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.95 3gar s GLN 151 N 0.56 1.25 -0.10 1.98 -0.21 -1.26 -0.78 119.66 121.10 3gar s GLN 151 Ca -0.02 -1.11 0.04 0.00 0.02 0.00 0.00 55.36 54.28 3gar s GLN 151 Cb -0.05 -1.49 -0.00 0.00 1.00 0.00 0.00 33.01 32.47 3gar s GLN 151 CO -0.03 0.36 -0.22 0.00 -2.12 0.00 0.00 175.29 173.27 3gar s ALA 152 N -1.03 2.24 0.12 6.09 0.00 -0.65 -4.99 121.76 123.53 3gar s ALA 152 Ca 0.08 -0.96 -0.16 0.00 0.00 0.00 0.00 51.96 50.91 3gar s ALA 152 Cb -0.10 -0.86 -0.07 0.00 0.00 0.00 0.00 23.12 22.10 3gar s ALA 152 CO 0.04 0.30 0.55 0.21 0.00 0.00 0.00 175.76 176.86 3gar s LYS 153 N 0.29 4.04 -0.03 0.00 2.47 -1.26 -2.50 119.74 122.76 3gar s LYS 153 Ca -0.16 0.57 -0.01 0.00 -1.56 0.00 0.00 55.97 54.80 3gar s LYS 153 Cb -0.17 -3.02 0.03 0.00 -1.46 0.00 0.00 37.83 33.20 3gar s LYS 153 CO 0.08 0.53 0.05 0.08 0.16 0.00 0.00 175.35 176.25 3gar s VAL 154 N -1.35 -0.04 0.13 4.02 1.01 0.28 -4.94 120.40 119.50 3gar s VAL 154 Ca 0.35 0.16 -0.20 0.00 0.00 0.00 0.00 61.98 62.29 3gar s VAL 154 Cb -0.16 -0.11 -0.07 0.00 0.00 0.00 0.00 36.38 36.04 3gar s VAL 154 CO 0.19 0.07 0.63 -2.16 0.00 0.00 0.00 175.10 173.82 3gar s PRO 155 N 0.84 4.24 -0.15 2.72 0.04 -1.26 1.00 135.00 142.43 3gar s PRO 155 Ca -0.07 0.80 -0.07 0.00 0.04 0.00 0.00 61.00 61.70 3gar s PRO 155 Cb -0.10 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 3gar s PRO 155 CO -0.03 0.56 0.09 0.08 0.04 0.00 0.00 177.00 177.74 3gar s VAL 156 N -1.24 5.04 0.11 -0.36 1.01 -0.46 -4.85 120.40 119.65 3gar s VAL 156 Ca 0.34 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.40 3gar s VAL 156 Cb -0.19 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3gar s VAL 156 CO 0.21 0.54 0.07 -0.36 0.00 0.00 0.00 175.10 175.56 3gar s PHE 157 N -0.33 3.12 0.03 5.22 0.08 -1.26 -4.81 117.98 120.04 3gar s PHE 157 Ca 0.10 0.02 -0.07 0.00 0.12 0.00 0.00 56.93 57.10 3gar s PHE 157 Cb -0.12 -1.57 -0.02 0.00 -0.57 0.00 0.00 43.02 40.74 3gar s PHE 157 CO 0.01 0.51 1.13 0.00 -0.10 0.00 0.00 175.22 176.77 3gar h ALA 158 N 3.08 -0.31 0.00 5.36 0.00 -1.99 -1.77 119.26 123.64 3gar h ALA 158 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3gar h ALA 158 Cb 1.17 0.90 0.00 0.00 0.00 0.00 0.00 17.79 19.87 3gar h ALA 158 CO 0.64 -0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.91 3gar n GLY 159 N -1.08 1.91 3.59 0.00 0.00 -1.26 -4.82 105.19 103.54 3gar n GLY 159 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3gar n GLY 159 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gar s ASP 160 N 1.90 5.71 0.00 1.61 2.15 -0.67 -4.88 116.67 122.50 3gar s ASP 160 Ca 0.00 1.18 0.00 0.00 0.43 0.00 0.00 52.55 54.16 3gar s ASP 160 Cb 0.00 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 3gar s ASP 160 CO 0.00 -1.88 0.00 -1.54 -0.17 0.00 0.00 175.17 171.58 3gar n SER 161 N 10.99 0.00 0.00 -0.34 3.41 -1.26 -4.81 113.62 121.60 3gar n SER 161 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 3gar n SER 161 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 3gar n SER 161 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3gar n GLU 162 N 0.00 2.35 -3.43 4.33 2.13 -1.26 -5.05 120.64 119.71 3gar n GLU 162 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 3gar n GLU 162 Cb 0.00 -0.76 -0.06 0.00 0.27 0.00 0.00 31.44 30.89 3gar n GLU 162 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3gar s ASP 163 N -1.70 6.60 0.00 4.31 1.11 -1.26 -2.27 116.67 123.45 3gar s ASP 163 Ca 0.00 0.71 0.00 0.00 0.18 0.00 0.00 52.55 53.44 3gar s ASP 163 Cb 0.00 -2.24 0.00 0.00 1.07 0.00 0.00 42.92 41.75 3gar s ASP 163 CO 0.00 0.08 0.00 0.47 1.18 0.00 0.00 175.17 176.90 3gar n ASP 164 N 3.42 0.00 0.10 0.27 9.92 -1.26 -4.78 116.55 124.22 3gar n ASP 164 Ca -0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.16 3gar n ASP 164 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 3gar n ASP 164 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 3gar n ILE 165 N -0.40 0.25 0.20 0.53 5.41 -1.21 -4.09 119.36 120.06 3gar n ILE 165 Ca 0.00 0.08 -0.14 0.00 1.00 0.00 0.00 62.75 63.69 3gar n ILE 165 Cb 0.00 -0.67 -0.08 0.00 -0.71 0.00 0.00 39.64 38.18 3gar n ILE 165 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 3gar h THR 166 N 0.00 0.59 0.00 1.39 2.02 -1.76 -1.72 112.91 113.43 3gar h THR 166 Ca 0.00 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3gar h THR 166 Cb 0.00 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3gar h THR 166 CO 0.00 0.08 -0.09 0.00 0.37 0.00 0.00 175.52 175.88 3gar h ALA 167 N -0.31 0.95 -0.01 6.16 0.00 -1.86 -2.92 119.26 121.28 3gar h ALA 167 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 3gar h ALA 167 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3gar h ALA 167 CO 0.09 0.00 -0.87 -0.09 0.00 0.00 0.00 179.25 178.38 3gar h ARG 168 N 0.00 0.31 -0.05 0.00 2.43 -1.70 -2.90 114.38 112.46 3gar h ARG 168 Ca 0.00 -0.32 -0.25 0.00 -0.81 0.00 0.00 59.98 58.61 3gar h ARG 168 Cb 0.93 0.09 0.02 0.00 -0.42 0.00 0.00 29.97 30.58 3gar h ARG 168 CO 0.00 1.01 -0.94 0.28 -1.51 0.00 0.00 179.97 178.81 3gar h VAL 169 N 0.18 1.28 -0.59 0.20 2.07 -1.37 -3.20 116.25 114.83 3gar h VAL 169 Ca -0.05 -2.14 0.06 0.00 0.82 0.00 0.00 66.70 65.39 3gar h VAL 169 Cb 1.49 2.26 -0.03 0.00 -1.52 0.00 0.00 31.29 33.48 3gar h VAL 169 CO 0.14 0.67 0.39 -0.61 0.02 0.00 0.00 177.57 178.18 3gar h GLN 170 N 0.42 0.54 -0.69 1.57 4.15 -1.54 -0.01 115.11 119.54 3gar h GLN 170 Ca -0.10 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.23 3gar h GLN 170 Cb 1.58 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 29.12 3gar h GLN 170 CO 0.19 0.36 0.21 1.15 -1.93 0.00 0.00 178.83 178.81 3gar h THR 171 N 0.56 1.25 -0.20 2.39 2.02 -1.50 -2.32 112.91 115.11 3gar h THR 171 Ca 0.25 -0.87 -0.17 0.00 0.77 0.00 0.00 66.41 66.39 3gar h THR 171 Cb 0.29 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3gar h THR 171 CO -0.07 0.34 -0.57 1.56 0.37 0.00 0.00 175.52 177.15 3gar h GLN 172 N 1.03 0.61 -0.76 6.66 1.08 -1.11 -3.21 115.11 119.41 3gar h GLN 172 Ca 0.23 -0.39 -0.00 0.00 -1.45 0.00 0.00 58.65 57.03 3gar h GLN 172 Cb 0.29 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.73 3gar h GLN 172 CO -0.01 1.01 0.46 0.93 -0.95 0.00 0.00 178.83 180.27 3gar h GLU 173 N 0.46 1.03 0.00 1.46 5.08 -0.72 -1.60 114.58 120.30 3gar h GLU 173 Ca 0.01 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3gar h GLU 173 Cb 1.12 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3gar h GLU 173 CO 0.11 0.73 0.00 0.72 -1.00 0.00 0.00 179.01 179.57 3gar n HIS 174 N -4.50 0.54 -0.13 4.33 8.25 -0.91 -2.39 115.22 120.41 3gar n HIS 174 Ca 0.07 0.24 -0.27 0.00 -0.26 0.00 0.00 57.72 57.50 3gar n HIS 174 Cb 0.05 -0.89 -0.09 0.00 1.12 0.00 0.00 29.99 30.18 3gar n HIS 174 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gar n ALA 175 N -1.69 1.33 0.03 -1.41 0.00 -0.79 -4.52 120.51 113.45 3gar n ALA 175 Ca 0.01 -1.04 -0.08 0.00 0.00 0.00 0.00 53.44 52.34 3gar n ALA 175 Cb 0.13 0.15 0.09 0.00 0.00 0.00 0.00 19.45 19.82 3gar n ALA 175 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3gar h ILE 176 N -0.87 1.33 0.45 0.00 3.07 -1.34 -3.12 117.51 117.02 3gar h ILE 176 Ca -0.66 -1.80 -0.02 0.00 1.55 0.00 0.00 64.86 63.94 3gar h ILE 176 Cb 1.60 1.80 0.00 0.00 -0.27 0.00 0.00 36.82 39.95 3gar h ILE 176 CO -0.38 0.55 -0.21 0.22 -1.05 0.00 0.00 178.15 177.28 3gar h TYR 177 N 0.36 -0.56 0.00 0.16 5.03 -1.72 -0.53 116.97 119.71 3gar h TYR 177 Ca 0.01 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 3gar h TYR 177 Cb 1.06 0.18 -0.00 0.00 1.55 0.00 0.00 36.73 39.52 3gar h TYR 177 CO 0.04 -0.29 -0.04 -1.35 -1.32 0.00 0.00 178.16 175.19 3gar h PRO 178 N -0.71 0.00 -0.08 1.82 0.11 -1.80 -1.15 132.00 130.20 3gar h PRO 178 Ca -0.06 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.91 3gar h PRO 178 Cb 0.51 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.63 3gar h PRO 178 CO 0.10 0.04 -0.49 1.25 -0.21 0.00 0.00 178.00 178.69 3gar h LEU 179 N 0.00 0.57 -0.98 2.35 5.85 -1.41 -1.43 115.31 120.25 3gar h LEU 179 Ca -0.00 -0.66 -0.08 0.00 0.84 0.00 0.00 57.88 57.98 3gar h LEU 179 Cb 0.13 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3gar h LEU 179 CO 0.01 1.14 -0.13 0.58 -0.34 0.00 0.00 178.44 179.70 3gar h VAL 180 N 0.03 1.24 -0.06 1.05 2.07 -0.49 -1.70 116.25 118.39 3gar h VAL 180 Ca -0.04 -1.09 -0.16 0.00 0.82 0.00 0.00 66.70 66.23 3gar h VAL 180 Cb 1.15 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3gar h VAL 180 CO 0.10 0.36 -0.67 0.40 0.02 0.00 0.00 177.57 177.78 3gar h ILE 181 N 0.55 1.40 -0.26 4.57 2.04 -1.23 -1.99 117.51 122.59 3gar h ILE 181 Ca 0.10 -2.11 -0.12 0.00 1.00 0.00 0.00 64.86 63.73 3gar h ILE 181 Cb 0.54 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 3gar h ILE 181 CO 0.03 0.62 -0.33 0.77 0.00 0.00 0.00 178.15 179.24 3gar h SER 182 N 0.18 0.57 -0.33 1.72 4.64 -0.93 0.34 113.55 119.75 3gar h SER 182 Ca -0.02 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 3gar h SER 182 Cb 1.20 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 3gar h SER 182 CO 0.11 0.86 0.15 -0.50 -0.87 0.00 0.00 176.83 176.58 3gar h TRP 183 N 0.47 0.48 -0.53 4.77 6.55 -1.12 0.84 115.95 127.40 3gar h TRP 183 Ca 0.05 -0.03 -0.05 0.00 0.95 0.00 0.00 58.89 59.81 3gar h TRP 183 Cb 0.80 -0.15 -0.02 0.00 -0.86 0.00 0.00 29.16 28.94 3gar h TRP 183 CO 0.03 0.43 0.12 0.35 -1.05 0.00 0.00 178.44 178.32 3gar h PHE 184 N 0.39 0.89 -0.40 0.49 3.57 -0.99 -1.05 116.94 119.84 3gar h PHE 184 Ca 0.11 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3gar h PHE 184 Cb 0.13 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 3gar h PHE 184 CO -0.01 0.79 0.20 0.00 -2.23 0.00 0.00 178.31 177.05 3gar h ALA 185 N 1.00 1.61 -0.00 2.41 0.00 0.09 -1.46 119.26 122.91 3gar h ALA 185 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gar h ALA 185 Cb 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3gar h ALA 185 CO 0.00 0.32 -0.08 -0.25 0.00 0.00 0.00 179.25 179.24 3gar n ASP 186 N -4.42 0.20 0.00 0.00 8.00 0.25 -4.91 116.55 115.67 3gar n ASP 186 Ca 0.03 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.40 3gar n ASP 186 Cb 0.11 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 3gar n ASP 186 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gar n GLY 187 N 1.36 0.50 0.06 0.44 0.00 -0.55 -4.94 105.19 102.06 3gar n GLY 187 Ca 0.12 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.68 3gar n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gar n ARG 188 N -2.87 0.34 -4.41 1.61 1.74 -0.44 -4.85 116.66 107.79 3gar n ARG 188 Ca 0.00 0.05 -0.33 0.00 -0.77 0.00 0.00 57.85 56.80 3gar n ARG 188 Cb 0.00 -1.67 -0.15 0.00 -1.02 0.00 0.00 32.46 29.62 3gar n ARG 188 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3gar s LEU 189 N -4.29 2.59 0.20 0.55 2.96 -1.19 0.56 118.68 120.06 3gar s LEU 189 Ca 0.04 -0.44 0.04 0.00 -0.22 0.00 0.00 54.13 53.55 3gar s LEU 189 Cb 0.13 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 45.17 3gar s LEU 189 CO 0.76 0.07 -0.04 -0.54 -1.32 0.00 0.00 176.35 175.29 3gar s LYS 190 N 0.90 1.23 -0.16 1.98 3.01 -0.03 -4.72 119.74 121.95 3gar s LYS 190 Ca -0.03 -1.59 0.00 0.00 -1.01 0.00 0.00 55.97 53.35 3gar s LYS 190 Cb -0.15 -0.61 0.02 0.00 -1.01 0.00 0.00 37.83 36.09 3gar s LYS 190 CO -0.01 -0.03 -0.15 1.41 0.51 0.00 0.00 175.35 177.08 3gar s MET 191 N -3.82 2.40 -0.01 1.68 1.75 -1.26 -0.56 119.30 119.47 3gar s MET 191 Ca 0.24 -0.62 -0.01 0.00 -1.25 0.00 0.00 55.69 54.05 3gar s MET 191 Cb 0.04 -2.20 0.01 0.00 2.84 0.00 0.00 34.83 35.52 3gar s MET 191 CO 0.06 -0.24 0.03 -1.01 -0.65 0.00 0.00 175.02 173.20 3gar s HIS 192 N 1.45 -0.02 -1.43 4.11 3.76 -0.42 -4.88 115.29 117.86 3gar s HIS 192 Ca 0.05 0.10 -0.01 0.00 -0.15 0.00 0.00 55.06 55.04 3gar s HIS 192 Cb -0.13 -0.06 0.01 0.00 1.11 0.00 0.00 32.58 33.51 3gar s HIS 192 CO -0.11 -0.04 0.43 0.39 -0.85 0.00 0.00 174.74 174.56 3gar n GLU 193 N 3.40 -3.24 -3.93 1.40 -0.58 -1.26 -0.81 120.64 115.63 3gar n GLU 193 Ca -0.17 0.39 -0.31 0.00 -0.42 0.00 0.00 57.16 56.66 3gar n GLU 193 Cb 0.57 -4.54 0.01 0.00 -0.57 0.00 0.00 31.44 26.91 3gar n GLU 193 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3gar n ASN 194 N -2.96 -4.44 -3.87 1.62 4.05 -1.26 -4.96 115.26 103.43 3gar n ASN 194 Ca -0.28 -0.79 -0.12 0.00 0.45 0.00 0.00 54.58 53.84 3gar n ASN 194 Cb 0.67 -3.57 -0.12 0.00 1.23 0.00 0.00 39.78 37.99 3gar n ASN 194 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3gar s ALA 195 N -3.26 -0.15 0.03 5.20 0.00 0.01 -4.23 121.76 119.36 3gar s ALA 195 Ca 0.66 0.03 -0.25 0.00 0.00 0.00 0.00 51.96 52.41 3gar s ALA 195 Cb -0.34 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 3gar s ALA 195 CO 0.82 -0.08 0.75 0.00 0.00 0.00 0.00 175.76 177.25 3gar s ALA 196 N -0.39 3.37 -0.21 0.00 0.00 -1.26 -1.30 121.76 121.97 3gar s ALA 196 Ca -0.05 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.18 3gar s ALA 196 Cb -0.03 -2.98 0.05 0.00 0.00 0.00 0.00 23.12 20.15 3gar s ALA 196 CO 0.00 0.06 -0.10 -1.58 0.00 0.00 0.00 175.76 174.14 3gar s TRP 197 N 0.01 2.44 -0.26 0.00 0.52 0.27 -0.56 118.94 121.36 3gar s TRP 197 Ca 0.38 -1.64 -0.08 0.00 0.02 0.00 0.00 56.10 54.78 3gar s TRP 197 Cb -0.20 -1.64 -0.03 0.00 -1.15 0.00 0.00 33.47 30.45 3gar s TRP 197 CO 0.22 -0.75 0.10 -1.17 0.02 0.00 0.00 176.95 175.37 3gar s LEU 198 N 1.39 3.62 -1.47 2.99 0.20 -0.32 -0.85 118.68 124.23 3gar s LEU 198 Ca -0.02 -0.21 -0.09 0.00 0.69 0.00 0.00 54.13 54.49 3gar s LEU 198 Cb -0.17 -1.97 0.06 0.00 -0.43 0.00 0.00 46.19 43.69 3gar s LEU 198 CO -0.08 -0.06 0.89 0.47 -0.29 0.00 0.00 176.35 177.28 3gar n ASP 199 N 4.95 -3.64 0.00 3.68 8.00 0.19 -0.72 116.55 129.01 3gar n ASP 199 Ca -0.16 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.55 3gar n ASP 199 Cb 0.51 -3.91 0.00 0.00 -0.02 0.00 0.00 41.12 37.70 3gar n ASP 199 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gar n GLY 200 N -1.67 0.41 3.33 0.44 0.00 -1.26 -4.99 105.19 101.44 3gar n GLY 200 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3gar n GLY 200 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gar s GLN 201 N -0.59 3.35 0.22 1.61 2.00 0.10 -5.07 119.66 121.27 3gar s GLN 201 Ca 0.00 -0.66 -0.31 0.00 -2.00 0.00 0.00 55.36 52.39 3gar s GLN 201 Cb 0.00 -3.10 -0.11 0.00 0.80 0.00 0.00 33.01 30.60 3gar s GLN 201 CO 0.00 -0.24 1.61 0.50 -0.50 0.00 0.00 175.29 176.66 3gar s ARG 202 N 1.49 4.17 0.24 1.67 3.52 -1.26 -1.18 118.95 127.60 3gar s ARG 202 Ca 0.05 2.49 -0.09 0.00 -0.13 0.00 0.00 55.73 58.05 3gar s ARG 202 Cb -0.15 -3.09 -0.07 0.00 -1.56 0.00 0.00 34.95 30.08 3gar s ARG 202 CO -0.02 -0.64 0.55 -0.51 -0.81 0.00 0.00 175.30 173.87 3gar s LEU 203 N 0.58 4.15 0.88 -0.88 1.43 0.28 -4.91 118.68 120.21 3gar s LEU 203 Ca 0.69 0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 54.56 3gar s LEU 203 Cb -0.46 -3.66 0.12 0.00 0.03 0.00 0.00 46.19 42.21 3gar s LEU 203 CO 0.37 -0.09 1.12 -2.16 0.23 0.00 0.00 176.35 175.82 3gar s PRO 204 N -2.91 1.41 0.57 1.29 0.04 -1.24 -4.70 135.00 129.44 3gar s PRO 204 Ca 0.47 0.41 0.33 0.00 0.04 0.00 0.00 61.00 62.26 3gar s PRO 204 Cb -0.11 -1.86 1.45 0.00 0.04 0.00 0.00 34.50 34.02 3gar s PRO 204 CO 0.22 -2.04 1.76 -1.35 0.04 0.00 0.00 177.00 175.64 3gar h PRO 205 N -1.39 0.00 -0.01 0.56 0.11 -1.98 0.26 132.00 129.54 3gar h PRO 205 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3gar h PRO 205 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3gar h PRO 205 CO 0.61 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 178.35 3gar n GLN 206 N -3.92 1.54 0.00 1.05 0.00 -1.26 -4.35 117.38 110.44 3gar n GLN 206 Ca 0.21 -0.91 0.00 0.00 0.00 0.00 0.00 57.00 56.29 3gar n GLN 206 Cb 1.14 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 29.90 3gar n GLN 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3gar n GLY 207 N 1.21 -1.64 3.69 2.61 0.00 0.90 -4.16 105.19 107.80 3gar n GLY 207 Ca 0.18 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 3gar n GLY 207 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gar s TYR 208 N 0.00 3.06 0.00 1.61 5.04 0.12 -3.74 117.35 123.45 3gar s TYR 208 Ca 0.00 1.03 0.00 0.00 -2.44 0.00 0.00 57.07 55.66 3gar s TYR 208 Cb 0.00 -3.54 0.00 0.00 0.35 0.00 0.00 41.96 38.77 3gar s TYR 208 CO 0.00 -1.88 0.40 0.00 -1.34 0.00 0.00 175.55 172.73