#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ara s VAL 20 N 0.00 -0.08 0.23 4.08 0.11 -1.24 -4.98 120.40 118.52 2ara s VAL 20 Ca 0.00 0.26 -0.09 0.00 -2.93 0.00 0.00 61.98 59.23 2ara s VAL 20 Cb 0.00 -0.14 -0.02 0.00 -1.53 0.00 0.00 36.38 34.70 2ara s VAL 20 CO 0.00 0.11 0.36 0.00 -3.33 0.00 0.00 175.10 172.24 2ara s ALA 21 N 1.40 0.23 -0.08 1.54 0.00 -1.26 -2.53 121.76 121.05 2ara s ALA 21 Ca -0.05 -1.15 -0.31 0.00 0.00 0.00 0.00 51.96 50.45 2ara s ALA 21 Cb -0.12 1.17 0.10 0.00 0.00 0.00 0.00 23.12 24.27 2ara s ALA 21 CO -0.04 -0.76 1.36 0.20 0.00 0.00 0.00 175.76 176.52 2ara s GLY 22 N -3.06 -0.23 -0.05 0.00 0.00 -0.77 -4.64 107.32 98.56 2ara s GLY 22 Ca 0.28 0.21 0.05 0.00 0.00 0.00 0.00 44.72 45.26 2ara s GLY 22 CO 0.10 6.09 -0.21 0.48 0.00 0.00 0.00 173.10 179.56 2ara s LEU 23 N -3.85 1.98 -0.26 0.66 0.05 -1.26 -0.04 118.68 115.96 2ara s LEU 23 Ca 0.30 -0.43 0.00 0.00 0.05 0.00 0.00 54.13 54.06 2ara s LEU 23 Cb 0.01 -1.15 0.04 0.00 -2.05 0.00 0.00 46.19 43.04 2ara s LEU 23 CO -0.03 0.19 -0.08 -0.89 -0.55 0.00 0.00 176.35 174.99 2ara s THR 24 N -0.01 2.53 -1.07 5.48 2.01 0.80 -4.96 115.64 120.42 2ara s THR 24 Ca -0.05 -1.32 -0.15 0.00 0.31 0.00 0.00 61.69 60.48 2ara s THR 24 Cb -0.13 -2.37 0.18 0.00 0.01 0.00 0.00 72.50 70.19 2ara s THR 24 CO 0.03 0.09 1.23 -2.16 -0.69 0.00 0.00 174.62 173.12 2ara s PRO 25 N 1.22 3.90 -0.12 4.92 0.04 -1.26 -1.42 135.00 142.29 2ara s PRO 25 Ca -0.04 -2.40 -0.29 0.00 0.04 0.00 0.00 61.00 58.31 2ara s PRO 25 Cb -0.18 -4.88 -0.03 0.00 0.04 0.00 0.00 34.50 29.45 2ara s PRO 25 CO -0.05 -1.65 1.32 0.42 0.04 0.00 0.00 177.00 177.08 2ara s ILE 26 N 1.39 4.13 -0.08 0.56 1.01 -1.20 -4.76 121.20 122.26 2ara s ILE 26 Ca 0.35 1.39 0.05 0.00 0.00 0.00 0.00 60.65 62.45 2ara s ILE 26 Cb -0.05 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.52 2ara s ILE 26 CO -0.05 -0.10 -0.24 -1.61 0.00 0.00 0.00 174.94 172.95 2ara s GLU 27 N 3.30 2.71 -0.06 2.79 2.02 -1.26 -0.83 118.70 127.36 2ara s GLU 27 Ca 0.58 -0.87 -0.35 0.00 0.02 0.00 0.00 54.97 54.35 2ara s GLU 27 Cb -0.25 -2.18 -0.13 0.00 0.10 0.00 0.00 34.13 31.68 2ara s GLU 27 CO 0.19 0.28 1.79 0.00 0.02 0.00 0.00 175.26 177.54 2ara n ALA 28 N 3.22 0.75 -0.96 5.21 0.00 -0.23 -0.14 120.51 128.36 2ara n ALA 28 Ca -0.18 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2ara n ALA 28 Cb 0.52 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.55 2ara n ALA 28 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ara n ASN 29 N 5.76 -3.62 -1.89 0.00 5.03 -1.26 -4.98 115.26 114.30 2ara n ASN 29 Ca 0.22 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.67 2ara n ASN 29 Cb 0.27 -1.71 0.00 0.00 -1.02 0.00 0.00 39.78 37.32 2ara n ASN 29 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ara n GLY 30 N -1.35 0.73 0.00 7.41 0.00 0.81 -5.03 105.19 107.75 2ara n GLY 30 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 2ara n GLY 30 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2ara n TYR 31 N 0.00 0.00 -2.38 1.61 9.36 -1.26 -4.15 117.16 120.34 2ara n TYR 31 Ca 0.00 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.85 2ara n TYR 31 Cb 0.00 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.68 2ara n TYR 31 CO 0.00 0.00 0.00 -0.48 0.22 0.00 0.00 176.86 176.60 2ara s LEU 32 N 0.00 3.52 -0.16 2.98 0.05 -1.26 -4.50 118.68 119.30 2ara s LEU 32 Ca 0.00 -2.09 0.16 0.00 0.05 0.00 0.00 54.13 52.25 2ara s LEU 32 Cb 0.00 -2.58 0.35 0.00 -2.05 0.00 0.00 46.19 41.90 2ara s LEU 32 CO 0.00 -1.94 1.18 -0.67 -0.55 0.00 0.00 176.35 174.37 2ara n ASP 33 N 10.79 2.11 -4.96 1.48 2.03 -1.26 -4.18 116.55 122.57 2ara n ASP 33 Ca 0.47 -3.42 -0.22 0.00 0.52 0.00 0.00 54.79 52.14 2ara n ASP 33 Cb 0.46 -0.47 0.02 0.00 -0.72 0.00 0.00 41.12 40.41 2ara n ASP 33 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2ara s PHE 34 N -3.02 3.10 -0.18 -0.67 -0.12 -1.26 -4.87 117.98 110.97 2ara s PHE 34 Ca 0.35 0.14 -0.17 0.00 -0.05 0.00 0.00 56.93 57.20 2ara s PHE 34 Cb 0.32 -2.45 -0.04 0.00 -0.63 0.00 0.00 43.02 40.22 2ara s PHE 34 CO -0.01 -0.51 0.43 -0.06 -0.05 0.00 0.00 175.22 175.01 2ara s PHE 35 N -2.61 3.42 0.21 3.49 0.40 -1.26 -4.79 117.98 116.84 2ara s PHE 35 Ca 0.51 0.71 -0.30 0.00 -0.60 0.00 0.00 56.93 57.25 2ara s PHE 35 Cb -0.10 -2.54 -0.08 0.00 0.51 0.00 0.00 43.02 40.81 2ara s PHE 35 CO 0.38 0.05 1.20 0.96 0.70 0.00 0.00 175.22 178.50 2ara s ILE 36 N 1.10 3.47 -0.40 0.64 -5.25 -1.03 -4.92 121.20 114.81 2ara s ILE 36 Ca 0.21 1.28 0.03 0.00 -0.99 0.00 0.00 60.65 61.18 2ara s ILE 36 Cb -0.15 -3.82 0.16 0.00 2.95 0.00 0.00 42.46 41.61 2ara s ILE 36 CO 0.08 0.23 0.30 -0.62 -1.79 0.00 0.00 174.94 173.14 2ara s ASP 37 N -0.06 1.96 -0.89 4.36 2.15 -1.26 -2.88 116.67 120.06 2ara s ASP 37 Ca 0.51 -2.82 -0.02 0.00 0.43 0.00 0.00 52.55 50.65 2ara s ASP 37 Cb -0.33 -0.46 0.22 0.00 -0.30 0.00 0.00 42.92 42.05 2ara s ASP 37 CO 0.39 -0.21 0.78 -0.13 -0.17 0.00 0.00 175.17 175.82 2ara s ARG 38 N 0.33 3.28 0.04 4.34 3.00 0.97 -4.94 118.95 125.96 2ara s ARG 38 Ca 0.28 -3.24 0.07 0.00 0.00 0.00 0.00 55.73 52.85 2ara s ARG 38 Cb -0.04 -3.97 0.32 0.00 0.00 0.00 0.00 34.95 31.25 2ara s ARG 38 CO -0.13 -1.26 1.22 -0.35 0.00 0.00 0.00 175.30 174.77 2ara n PRO 39 N 2.41 0.02 -0.07 3.54 -0.04 -1.26 -0.48 135.00 139.12 2ara n PRO 39 Ca 0.21 0.44 0.05 0.00 -0.04 0.00 0.00 63.50 64.16 2ara n PRO 39 Cb 0.37 -1.56 0.07 0.00 -0.04 0.00 0.00 33.50 32.35 2ara n PRO 39 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2ara n LEU 40 N -1.60 1.93 0.00 1.53 4.77 -1.26 -4.51 117.00 117.85 2ara n LEU 40 Ca 0.01 -2.38 0.00 0.00 -0.03 0.00 0.00 56.01 53.61 2ara n LEU 40 Cb 0.06 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2ara n LEU 40 CO 0.05 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2ara n GLY 41 N -0.92 -0.13 3.21 -0.72 0.00 -0.84 -4.60 105.19 101.18 2ara n GLY 41 Ca 0.08 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 2ara n GLY 41 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ara s MET 42 N 0.00 1.16 0.06 1.61 1.00 -1.26 -4.89 119.30 116.97 2ara s MET 42 Ca 0.00 -1.60 0.22 0.00 0.00 0.00 0.00 55.69 54.31 2ara s MET 42 Cb 0.00 0.17 0.91 0.00 0.00 0.00 0.00 34.83 35.91 2ara s MET 42 CO 0.00 -0.33 1.70 0.36 0.00 0.00 0.00 175.02 176.75 2ara n LYS 43 N -0.25 0.05 -4.43 2.03 0.00 -1.26 -2.24 118.16 112.06 2ara n LYS 43 Ca -0.00 0.18 -0.24 0.00 -0.00 0.00 0.00 58.31 58.24 2ara n LYS 43 Cb 0.65 -1.58 -0.10 0.00 -0.00 0.00 0.00 35.03 34.00 2ara n LYS 43 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2ara s GLY 44 N -3.13 1.76 0.34 2.58 0.00 -1.26 -4.77 107.32 102.83 2ara s GLY 44 Ca 0.10 -1.77 -0.26 0.00 0.00 0.00 0.00 44.72 42.78 2ara s GLY 44 CO 0.42 -1.85 0.99 -0.19 0.00 0.00 0.00 173.10 172.46 2ara s TYR 45 N -2.35 3.58 -0.17 1.90 1.51 0.21 -4.38 117.35 117.65 2ara s TYR 45 Ca 0.26 1.74 -0.03 0.00 -1.01 0.00 0.00 57.07 58.04 2ara s TYR 45 Cb -0.05 -3.01 0.05 0.00 -0.11 0.00 0.00 41.96 38.84 2ara s TYR 45 CO 0.12 -0.07 0.03 0.42 -1.11 0.00 0.00 175.55 174.94 2ara s ILE 46 N -1.58 0.48 -0.00 2.71 -1.09 -0.98 0.45 121.20 121.20 2ara s ILE 46 Ca 0.51 -0.41 -0.17 0.00 -2.23 0.00 0.00 60.65 58.36 2ara s ILE 46 Cb -0.21 -0.92 -0.06 0.00 -1.58 0.00 0.00 42.46 39.70 2ara s ILE 46 CO 0.26 -0.11 0.48 -0.76 -1.23 0.00 0.00 174.94 173.58 2ara s LEU 47 N 1.89 4.45 -0.11 2.97 1.43 -0.68 -1.08 118.68 127.54 2ara s LEU 47 Ca 0.00 1.03 0.01 0.00 -1.03 0.00 0.00 54.13 54.14 2ara s LEU 47 Cb -0.16 -2.72 0.02 0.00 0.03 0.00 0.00 46.19 43.36 2ara s LEU 47 CO -0.07 0.24 -0.11 0.21 0.23 0.00 0.00 176.35 176.84 2ara s ASN 48 N -0.71 2.21 -0.24 2.29 2.47 0.23 -1.58 114.94 119.61 2ara s ASN 48 Ca 0.26 -0.35 0.02 0.00 0.42 0.00 0.00 52.86 53.21 2ara s ASN 48 Cb -0.17 -0.93 0.05 0.00 -1.45 0.00 0.00 41.25 38.75 2ara s ASN 48 CO 0.15 -0.06 -0.12 -0.22 -3.72 0.00 0.00 177.10 173.13 2ara s LEU 49 N 1.34 3.12 0.21 3.21 2.96 -0.71 -0.10 118.68 128.70 2ara s LEU 49 Ca -0.01 -1.25 -0.30 0.00 -0.22 0.00 0.00 54.13 52.35 2ara s LEU 49 Cb -0.14 -1.48 -0.08 0.00 0.50 0.00 0.00 46.19 44.99 2ara s LEU 49 CO -0.05 -0.17 1.18 -0.89 -1.32 0.00 0.00 176.35 175.10 2ara s THR 50 N 1.17 3.55 -0.05 3.68 2.01 -0.73 -2.06 115.64 123.20 2ara s THR 50 Ca -0.06 1.35 0.02 0.00 0.31 0.00 0.00 61.69 63.31 2ara s THR 50 Cb -0.19 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 2ara s THR 50 CO -0.06 0.24 -0.03 2.30 -0.69 0.00 0.00 174.62 176.38 2ara n ILE 51 N 2.20 0.31 -4.05 1.82 -5.35 0.34 -1.49 119.36 113.15 2ara n ILE 51 Ca 0.03 -0.15 -0.11 0.00 -0.27 0.00 0.00 62.75 62.25 2ara n ILE 51 Cb 0.45 -0.77 -0.11 0.00 -1.74 0.00 0.00 39.64 37.47 2ara n ILE 51 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2ara s ARG 52 N -2.11 0.49 0.29 6.28 0.52 -0.95 -4.70 118.95 118.77 2ara s ARG 52 Ca -0.06 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 54.38 2ara s ARG 52 Cb 0.02 -0.14 0.00 0.00 0.52 0.00 0.00 34.95 35.35 2ara s ARG 52 CO 0.15 0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.89 2ara n GLY 53 N 1.33 -1.97 3.76 -3.53 0.00 -1.26 -1.07 105.19 102.45 2ara n GLY 53 Ca -0.22 -1.23 -0.28 0.00 0.00 0.00 0.00 46.02 44.29 2ara n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ara s GLN 54 N -1.95 2.77 0.28 1.61 -0.21 -1.19 -4.25 119.66 116.73 2ara s GLN 54 Ca 0.00 -0.84 0.11 0.00 0.02 0.00 0.00 55.36 54.65 2ara s GLN 54 Cb 0.00 -2.62 -0.05 0.00 1.00 0.00 0.00 33.01 31.34 2ara s GLN 54 CO 0.00 0.51 -0.13 0.20 -2.12 0.00 0.00 175.29 173.76 2ara s GLY 55 N -2.73 1.85 -0.40 3.09 0.00 -1.06 -3.48 107.32 104.58 2ara s GLY 55 Ca 0.29 -1.83 0.01 0.00 0.00 0.00 0.00 44.72 43.19 2ara s GLY 55 CO 0.21 -1.90 0.20 0.54 0.00 0.00 0.00 173.10 172.16 2ara s VAL 56 N -2.46 1.21 -0.39 1.40 0.11 -0.89 -1.01 120.40 118.38 2ara s VAL 56 Ca 0.31 -2.26 -0.29 0.00 -2.93 0.00 0.00 61.98 56.81 2ara s VAL 56 Cb -0.05 -1.86 0.01 0.00 -1.53 0.00 0.00 36.38 32.95 2ara s VAL 56 CO 0.17 -0.86 1.35 -0.69 -3.33 0.00 0.00 175.10 171.74 2ara s VAL 57 N 0.67 4.01 0.15 2.04 1.01 -1.25 -3.24 120.40 123.78 2ara s VAL 57 Ca 0.16 1.06 0.03 0.00 0.00 0.00 0.00 61.98 63.23 2ara s VAL 57 Cb -0.23 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 2ara s VAL 57 CO -0.04 -0.70 0.23 -0.54 0.00 0.00 0.00 175.10 174.05 2ara s LYS 58 N 4.66 3.28 -0.30 2.72 1.02 -0.41 -1.18 119.74 129.54 2ara s LYS 58 Ca 0.58 -0.67 -0.15 0.00 0.02 0.00 0.00 55.97 55.76 2ara s LYS 58 Cb -0.14 -2.88 0.16 0.00 -0.52 0.00 0.00 37.83 34.45 2ara s LYS 58 CO 0.30 0.52 0.97 1.21 -0.92 0.00 0.00 175.35 177.43 2ara s ASN 59 N -3.14 -0.57 -0.39 2.83 3.84 -0.94 -4.49 114.94 112.07 2ara s ASN 59 Ca 0.33 0.83 -0.27 0.00 0.21 0.00 0.00 52.86 53.96 2ara s ASN 59 Cb -0.11 1.52 0.04 0.00 -0.55 0.00 0.00 41.25 42.16 2ara s ASN 59 CO 0.27 -0.12 0.52 0.00 -2.79 0.00 0.00 177.10 174.98 2ara n GLN 60 N 4.55 -1.48 0.00 0.43 6.02 -1.26 -1.14 117.38 124.50 2ara n GLN 60 Ca -0.12 1.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.91 2ara n GLN 60 Cb 0.54 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 30.21 2ara n GLN 60 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ara n GLY 61 N -0.31 0.05 3.92 1.08 0.00 -1.26 -4.91 105.19 103.75 2ara n GLY 61 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 2ara n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ara s ARG 62 N 0.00 2.65 -0.28 1.61 0.52 -0.29 -5.09 118.95 118.07 2ara s ARG 62 Ca 0.00 -0.13 0.01 0.00 -0.52 0.00 0.00 55.73 55.09 2ara s ARG 62 Cb 0.00 -2.25 0.16 0.00 0.52 0.00 0.00 34.95 33.38 2ara s ARG 62 CO 0.00 -0.89 0.43 -1.21 0.02 0.00 0.00 175.30 173.65 2ara s GLU 63 N -5.07 0.42 0.27 3.54 2.02 -1.26 -2.21 118.70 116.41 2ara s GLU 63 Ca 0.56 0.29 -0.05 0.00 0.02 0.00 0.00 54.97 55.79 2ara s GLU 63 Cb -0.11 -0.25 0.06 0.00 0.10 0.00 0.00 34.13 33.94 2ara s GLU 63 CO 0.45 -0.94 0.37 0.34 0.02 0.00 0.00 175.26 175.49 2ara n PHE 64 N 5.37 -3.98 -3.15 1.61 7.35 -0.32 -4.98 117.46 119.36 2ara n PHE 64 Ca 0.00 -0.33 0.04 0.00 -0.76 0.00 0.00 57.45 56.40 2ara n PHE 64 Cb 0.50 -0.28 -0.01 0.00 0.35 0.00 0.00 39.48 40.04 2ara n PHE 64 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2ara s VAL 65 N -1.78 -0.96 0.64 -2.13 0.11 -1.26 -3.76 120.40 111.26 2ara s VAL 65 Ca 0.21 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.14 2ara s VAL 65 Cb -0.01 -0.98 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 2ara s VAL 65 CO 0.15 0.00 1.04 0.00 -3.33 0.00 0.00 175.10 172.95 2ara s ARG 67 N -5.02 1.14 0.53 0.00 0.52 -1.26 -2.56 118.95 112.29 2ara s ARG 67 Ca 0.57 -1.53 -0.23 0.00 -0.52 0.00 0.00 55.73 54.02 2ara s ARG 67 Cb -0.12 -0.53 -0.06 0.00 0.52 0.00 0.00 34.95 34.76 2ara s ARG 67 CO 0.52 -0.02 1.38 -2.14 0.02 0.00 0.00 175.30 175.06 2ara s PRO 68 N -3.82 3.25 0.00 3.54 0.02 -1.26 -2.51 135.00 134.23 2ara s PRO 68 Ca 0.21 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.52 2ara s PRO 68 Cb 0.04 -2.35 0.00 0.00 0.02 0.00 0.00 34.50 32.22 2ara s PRO 68 CO 0.03 -1.12 0.00 0.41 -0.33 0.00 0.00 177.00 176.00 2ara n GLY 69 N 0.69 0.67 3.70 0.52 0.00 -0.55 -4.99 105.19 105.23 2ara n GLY 69 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2ara n GLY 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ara s ASP 70 N -2.86 6.78 -0.23 1.61 1.01 -1.04 -4.33 116.67 117.60 2ara s ASP 70 Ca 0.00 0.93 -0.03 0.00 0.71 0.00 0.00 52.55 54.17 2ara s ASP 70 Cb 0.00 -2.35 0.01 0.00 1.01 0.00 0.00 42.92 41.59 2ara s ASP 70 CO 0.00 -0.14 -0.05 -0.63 0.21 0.00 0.00 175.17 174.56 2ara s ILE 71 N 1.16 3.13 -0.03 0.77 1.01 -1.25 -1.78 121.20 124.21 2ara s ILE 71 Ca 0.30 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.25 2ara s ILE 71 Cb -0.16 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 2ara s ILE 71 CO 0.13 0.33 -0.05 -0.76 0.00 0.00 0.00 174.94 174.59 2ara s LEU 72 N 1.41 3.24 -0.15 2.97 1.02 0.86 -1.52 118.68 126.52 2ara s LEU 72 Ca 0.04 -0.06 -0.05 0.00 0.02 0.00 0.00 54.13 54.07 2ara s LEU 72 Cb -0.15 -1.80 -0.04 0.00 0.02 0.00 0.00 46.19 44.22 2ara s LEU 72 CO -0.04 0.32 0.03 -0.22 0.02 0.00 0.00 176.35 176.45 2ara s LEU 73 N -1.19 3.65 -0.53 1.79 2.96 -0.43 -0.60 118.68 124.33 2ara s LEU 73 Ca 0.16 0.07 0.04 0.00 -0.22 0.00 0.00 54.13 54.17 2ara s LEU 73 Cb -0.11 -1.89 0.14 0.00 0.50 0.00 0.00 46.19 44.83 2ara s LEU 73 CO 0.05 0.24 0.29 -0.36 -1.32 0.00 0.00 176.35 175.26 2ara s PHE 74 N -0.06 2.97 1.05 5.38 0.08 -0.24 0.28 117.98 127.44 2ara s PHE 74 Ca 0.05 -3.05 -0.12 0.00 0.12 0.00 0.00 56.93 53.93 2ara s PHE 74 Cb -0.12 -2.60 0.22 0.00 -0.57 0.00 0.00 43.02 39.94 2ara s PHE 74 CO 0.02 -0.72 1.07 -1.25 -0.10 0.00 0.00 175.22 174.23 2ara s PRO 75 N -0.33 0.02 0.17 0.24 0.04 -1.26 -2.31 135.00 131.58 2ara s PRO 75 Ca 0.18 0.72 -0.34 0.00 0.04 0.00 0.00 61.00 61.61 2ara s PRO 75 Cb -0.22 -1.67 -0.14 0.00 0.04 0.00 0.00 34.50 32.51 2ara s PRO 75 CO -0.03 -3.06 1.59 -2.30 0.04 0.00 0.00 177.00 173.25 2ara n PRO 76 N -4.43 2.24 0.00 0.56 -0.02 -1.26 -2.03 135.00 130.05 2ara n PRO 76 Ca 0.05 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2ara n PRO 76 Cb 0.56 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2ara n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ara n GLY 77 N 3.45 1.83 3.77 -1.23 0.00 -0.95 -4.96 105.19 107.09 2ara n GLY 77 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2ara n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ara s GLU 78 N -0.55 4.23 0.16 1.61 2.56 -0.86 -4.26 118.70 121.60 2ara s GLU 78 Ca 0.00 1.96 -0.30 0.00 0.00 0.00 0.00 54.97 56.63 2ara s GLU 78 Cb 0.00 -2.88 -0.08 0.00 2.00 0.00 0.00 34.13 33.17 2ara s GLU 78 CO 0.00 -0.21 1.29 0.42 -0.56 0.00 0.00 175.26 176.20 2ara s ILE 79 N -1.28 3.39 -0.25 -3.70 1.01 -1.26 -2.57 121.20 116.54 2ara s ILE 79 Ca 0.53 1.10 -0.06 0.00 0.00 0.00 0.00 60.65 62.22 2ara s ILE 79 Cb -0.34 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 2ara s ILE 79 CO 0.44 0.14 0.02 -1.00 0.00 0.00 0.00 174.94 174.54 2ara s HIS 80 N 0.39 3.06 -0.29 3.97 3.76 0.37 -4.91 115.29 121.63 2ara s HIS 80 Ca 0.58 -0.84 0.02 0.00 -0.15 0.00 0.00 55.06 54.68 2ara s HIS 80 Cb -0.35 -2.18 0.19 0.00 1.11 0.00 0.00 32.58 31.34 2ara s HIS 80 CO 0.35 -0.51 0.56 -1.58 -0.85 0.00 0.00 174.74 172.71 2ara s HIS 81 N 1.52 -1.61 0.02 1.40 5.04 -1.25 -0.02 115.29 120.38 2ara s HIS 81 Ca 0.05 1.22 -0.27 0.00 -1.54 0.00 0.00 55.06 54.51 2ara s HIS 81 Cb -0.15 0.34 0.09 0.00 0.04 0.00 0.00 32.58 32.90 2ara s HIS 81 CO 0.00 -0.98 0.80 1.52 -2.34 0.00 0.00 174.74 173.75 2ara s TYR 82 N 2.79 -0.43 0.00 3.88 -0.85 -1.14 -1.29 117.35 120.31 2ara s TYR 82 Ca 0.14 0.38 0.00 0.00 -0.52 0.00 0.00 57.07 57.07 2ara s TYR 82 Cb -0.12 0.52 0.00 0.00 0.38 0.00 0.00 41.96 42.74 2ara s TYR 82 CO -0.24 -0.61 0.00 0.41 -1.52 0.00 0.00 175.55 173.59 2ara n GLY 83 N -0.06 2.87 3.72 5.49 0.00 -1.20 -2.47 105.19 113.55 2ara n GLY 83 Ca -0.12 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 2ara n GLY 83 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ara s ARG 84 N 3.54 4.33 0.06 1.61 3.52 -1.26 -2.09 118.95 128.65 2ara s ARG 84 Ca 0.00 0.44 -0.31 0.00 -0.13 0.00 0.00 55.73 55.73 2ara s ARG 84 Cb 0.00 -3.43 -0.07 0.00 -1.56 0.00 0.00 34.95 29.89 2ara s ARG 84 CO 0.00 0.17 1.45 -1.58 -0.81 0.00 0.00 175.30 174.54 2ara s HIS 85 N 0.58 2.90 0.41 5.12 5.65 -1.23 -4.73 115.29 123.99 2ara s HIS 85 Ca 0.26 0.75 0.00 0.00 0.25 0.00 0.00 55.06 56.32 2ara s HIS 85 Cb -0.15 -3.74 0.00 0.00 -1.18 0.00 0.00 32.58 27.51 2ara s HIS 85 CO 0.10 -2.75 0.79 -2.30 -0.65 0.00 0.00 174.74 169.93 2ara n PRO 86 N 4.91 0.02 0.00 2.88 -0.02 -1.26 0.15 135.00 141.69 2ara n PRO 86 Ca 0.13 0.59 0.07 0.00 -2.02 0.00 0.00 63.50 62.27 2ara n PRO 86 Cb 0.42 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 2ara n PRO 86 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ara n GLU 87 N -1.90 2.02 -3.03 -0.52 4.71 -1.26 -4.97 120.64 115.68 2ara n GLU 87 Ca 0.00 -0.21 -0.35 0.00 -0.01 0.00 0.00 57.16 56.59 2ara n GLU 87 Cb 0.79 -1.21 -0.06 0.00 -1.01 0.00 0.00 31.44 29.94 2ara n GLU 87 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ara s ALA 88 N -2.25 3.33 -1.18 0.62 0.00 0.12 -5.00 121.76 117.40 2ara s ALA 88 Ca 0.07 0.21 0.28 0.00 0.00 0.00 0.00 51.96 52.53 2ara s ALA 88 Cb 0.12 -2.89 1.01 0.00 0.00 0.00 0.00 23.12 21.36 2ara s ALA 88 CO 0.55 0.29 1.75 0.54 0.00 0.00 0.00 175.76 178.89 2ara n ARG 89 N 0.35 0.19 -3.38 0.00 1.74 -1.26 -4.80 116.66 109.51 2ara n ARG 89 Ca 0.00 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 2ara n ARG 89 Cb 0.52 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.47 2ara n ARG 89 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2ara n GLU 90 N -1.35 0.29 -2.77 5.56 0.28 -1.26 -1.07 120.64 120.32 2ara n GLU 90 Ca 0.09 -0.81 -0.05 0.00 -0.16 0.00 0.00 57.16 56.22 2ara n GLU 90 Cb 0.32 1.20 0.02 0.00 1.43 0.00 0.00 31.44 34.40 2ara n GLU 90 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 177.13 178.84 2ara n TRP 91 N -0.63 -3.68 -2.68 -1.84 -0.00 -0.01 -3.17 117.44 105.43 2ara n TRP 91 Ca 0.01 -1.49 -0.41 0.00 -0.00 0.00 0.00 57.50 55.61 2ara n TRP 91 Cb 0.44 1.48 -0.04 0.00 -0.00 0.00 0.00 31.31 33.19 2ara n TRP 91 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 2ara s TYR 92 N 0.81 3.74 -0.23 5.87 1.51 -0.23 -3.24 117.35 125.58 2ara s TYR 92 Ca 0.31 1.73 -0.20 0.00 -1.01 0.00 0.00 57.07 57.89 2ara s TYR 92 Cb 0.06 -3.11 0.06 0.00 -0.11 0.00 0.00 41.96 38.85 2ara s TYR 92 CO -0.10 -0.01 0.60 -3.38 -1.11 0.00 0.00 175.55 171.55 2ara s HIS 93 N 0.21 -0.69 0.21 2.71 -3.43 -0.50 -0.51 115.29 113.30 2ara s HIS 93 Ca 0.49 1.64 -0.09 0.00 -0.80 0.00 0.00 55.06 56.30 2ara s HIS 93 Cb -0.24 0.26 -0.07 0.00 -1.43 0.00 0.00 32.58 31.10 2ara s HIS 93 CO 0.30 -0.34 0.53 -0.65 -2.00 0.00 0.00 174.74 172.59 2ara s GLN 94 N 0.46 3.80 0.02 -0.38 -0.21 -0.87 -0.14 119.66 122.33 2ara s GLN 94 Ca -0.01 0.25 0.01 0.00 0.02 0.00 0.00 55.36 55.63 2ara s GLN 94 Cb -0.04 -2.69 -0.01 0.00 1.00 0.00 0.00 33.01 31.26 2ara s GLN 94 CO -0.01 0.34 -0.04 1.67 -2.12 0.00 0.00 175.29 175.13 2ara s TRP 95 N -1.77 0.39 -0.06 0.91 1.48 0.94 -1.74 118.94 119.08 2ara s TRP 95 Ca 0.46 -0.30 -0.01 0.00 -1.06 0.00 0.00 56.10 55.20 2ara s TRP 95 Cb -0.12 -0.25 0.03 0.00 -1.16 0.00 0.00 33.47 31.97 2ara s TRP 95 CO 0.21 -0.07 -0.01 0.54 -4.06 0.00 0.00 176.95 173.56 2ara s VAL 96 N -0.78 0.43 -0.19 -0.66 0.11 -0.61 -1.85 120.40 116.85 2ara s VAL 96 Ca -0.06 0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 58.95 2ara s VAL 96 Cb -0.06 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 2ara s VAL 96 CO -0.00 0.25 0.09 -0.47 -3.33 0.00 0.00 175.10 171.63 2ara s TYR 97 N 1.62 3.31 0.10 1.54 5.04 -1.05 -1.69 117.35 126.22 2ara s TYR 97 Ca -0.00 0.17 -0.23 0.00 -2.44 0.00 0.00 57.07 54.57 2ara s TYR 97 Cb -0.13 -2.10 0.06 0.00 0.35 0.00 0.00 41.96 40.14 2ara s TYR 97 CO -0.04 0.22 0.56 -0.59 -1.34 0.00 0.00 175.55 174.35 2ara s PHE 98 N 0.33 -0.47 -0.36 4.97 -0.71 0.17 -3.59 117.98 118.32 2ara s PHE 98 Ca 0.05 0.39 -0.05 0.00 -1.04 0.00 0.00 56.93 56.28 2ara s PHE 98 Cb -0.12 0.43 0.06 0.00 -1.21 0.00 0.00 43.02 42.19 2ara s PHE 98 CO -0.01 -0.74 0.13 1.03 -1.34 0.00 0.00 175.22 174.29 2ara s ARG 99 N -3.09 2.45 0.49 1.99 1.81 -1.26 0.66 118.95 121.99 2ara s ARG 99 Ca -0.02 -1.38 -0.21 0.00 -1.72 0.00 0.00 55.73 52.39 2ara s ARG 99 Cb -0.00 -3.48 -0.09 0.00 -0.45 0.00 0.00 34.95 30.92 2ara s ARG 99 CO -0.07 -0.79 0.83 -0.35 -0.68 0.00 0.00 175.30 174.23 2ara n PRO 100 N 4.75 0.95 -2.03 3.54 -0.04 -1.26 -4.98 135.00 135.93 2ara n PRO 100 Ca -0.10 0.35 -0.32 0.00 -0.04 0.00 0.00 63.50 63.39 2ara n PRO 100 Cb 0.43 -1.92 0.01 0.00 -0.04 0.00 0.00 33.50 31.98 2ara n PRO 100 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2ara s ARG 101 N -2.13 3.47 0.00 0.54 0.52 -1.26 -4.97 118.95 115.11 2ara s ARG 101 Ca 0.67 1.01 0.00 0.00 -0.52 0.00 0.00 55.73 56.90 2ara s ARG 101 Cb -0.51 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 32.90 2ara s ARG 101 CO 0.54 -0.68 0.76 0.00 0.02 0.00 0.00 175.30 175.95 2ara n ALA 102 N -2.23 0.00 -0.28 2.13 0.00 -1.26 -1.68 120.51 117.19 2ara n ALA 102 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2ara n ALA 102 Cb 0.53 0.38 0.20 0.00 0.00 0.00 0.00 19.45 20.57 2ara n ALA 102 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 2ara h TYR 103 N 0.00 1.07 -0.96 0.00 -0.00 -2.06 -3.07 116.97 111.96 2ara h TYR 103 Ca 0.00 0.03 0.38 0.00 -0.00 0.00 0.00 58.73 59.14 2ara h TYR 103 Cb 0.00 -0.36 -0.15 0.00 -0.00 0.00 0.00 36.73 36.22 2ara h TYR 103 CO -0.67 0.65 0.54 0.91 -0.00 0.00 0.00 178.16 179.59 2ara n TRP 104 N -4.42 0.95 -0.27 0.10 7.02 -0.67 -1.82 117.44 118.33 2ara n TRP 104 Ca 0.10 0.96 0.10 0.00 -1.02 0.00 0.00 57.50 57.64 2ara n TRP 104 Cb 0.05 -1.37 0.20 0.00 -2.42 0.00 0.00 31.31 27.77 2ara n TRP 104 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 2ara n HIS 105 N -4.89 0.45 -0.29 -5.99 8.25 -1.16 -0.29 115.22 111.30 2ara n HIS 105 Ca 0.34 0.93 -0.01 0.00 -0.26 0.00 0.00 57.72 58.72 2ara n HIS 105 Cb 1.19 -1.05 0.18 0.00 1.12 0.00 0.00 29.99 31.44 2ara n HIS 105 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2ara h GLU 106 N 0.00 1.14 -0.57 -0.41 3.07 -1.65 -2.66 114.58 113.51 2ara h GLU 106 Ca 0.45 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 2ara h GLU 106 Cb 0.88 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 2ara h GLU 106 CO -0.73 0.76 0.00 0.91 -1.40 0.00 0.00 179.01 178.54 2ara n TRP 107 N -4.40 0.48 -0.27 4.33 8.01 0.60 -3.84 117.44 122.35 2ara n TRP 107 Ca 0.10 -0.19 0.05 0.00 -1.31 0.00 0.00 57.50 56.15 2ara n TRP 107 Cb 0.02 -0.12 0.15 0.00 -2.01 0.00 0.00 31.31 29.35 2ara n TRP 107 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 2ara n LEU 108 N 0.18 2.92 -4.48 -0.99 4.77 -1.00 -4.87 117.00 113.53 2ara n LEU 108 Ca 0.08 -2.14 -0.43 0.00 -0.03 0.00 0.00 56.01 53.48 2ara n LEU 108 Cb 0.37 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 2ara n LEU 108 CO 0.08 0.70 0.47 0.21 -1.33 0.00 0.00 177.39 177.51 2ara s ASN 109 N -1.15 6.27 0.04 -1.43 3.84 -1.25 -5.01 114.94 116.25 2ara s ASN 109 Ca 0.23 -0.68 0.09 0.00 0.21 0.00 0.00 52.86 52.71 2ara s ASN 109 Cb 0.14 -2.34 -0.03 0.00 -0.55 0.00 0.00 41.25 38.47 2ara s ASN 109 CO 0.13 -0.99 -0.26 0.26 -2.79 0.00 0.00 177.10 173.45 2ara s TRP 110 N 3.07 2.33 -0.01 0.43 0.52 -1.26 -5.08 118.94 118.93 2ara s TRP 110 Ca 0.21 -0.41 -0.30 0.00 0.02 0.00 0.00 56.10 55.62 2ara s TRP 110 Cb -0.17 -1.40 -0.08 0.00 -1.15 0.00 0.00 33.47 30.67 2ara s TRP 110 CO 0.15 0.11 1.97 -2.14 0.02 0.00 0.00 176.95 177.06 2ara s PRO 111 N -1.17 3.99 0.34 4.98 0.02 -1.26 -4.46 135.00 137.44 2ara s PRO 111 Ca 0.12 2.47 -0.06 0.00 0.02 0.00 0.00 61.00 63.55 2ara s PRO 111 Cb -0.10 -4.17 0.08 0.00 0.02 0.00 0.00 34.50 30.33 2ara s PRO 111 CO 0.02 -1.12 0.32 -1.13 -0.33 0.00 0.00 177.00 174.76 2ara n SER 112 N 8.11 -1.15 0.00 2.53 3.41 -1.26 0.23 113.62 125.49 2ara n SER 112 Ca 0.21 -0.74 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 2ara n SER 112 Cb 0.42 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 2ara n SER 112 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2ara n ILE 113 N -3.10 0.00 -3.64 -1.33 -5.35 -1.18 -4.68 119.36 100.08 2ara n ILE 113 Ca 0.04 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.50 2ara n ILE 113 Cb 0.17 -0.21 -0.07 0.00 -1.74 0.00 0.00 39.64 37.79 2ara n ILE 113 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 2ara s PHE 114 N -1.29 -0.59 0.00 4.28 -0.12 -1.26 -5.09 117.98 113.90 2ara s PHE 114 Ca 0.00 1.19 0.00 0.00 -0.05 0.00 0.00 56.93 58.07 2ara s PHE 114 Cb 0.00 0.36 0.00 0.00 -0.63 0.00 0.00 43.02 42.75 2ara s PHE 114 CO 0.00 -0.29 0.00 0.00 -0.05 0.00 0.00 175.22 174.88 2ara n ALA 115 N 3.68 0.00 -2.10 1.99 0.00 -1.26 -3.52 120.51 119.30 2ara n ALA 115 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.91 2ara n ALA 115 Cb 0.58 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.05 2ara n ALA 115 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2ara n ASN 116 N -2.70 6.44 -4.41 0.00 4.05 -1.26 -4.77 115.26 112.60 2ara n ASN 116 Ca 0.00 -3.79 -0.44 0.00 0.45 0.00 0.00 54.58 50.80 2ara n ASN 116 Cb 0.00 -0.82 -0.05 0.00 1.23 0.00 0.00 39.78 40.13 2ara n ASN 116 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2ara s THR 117 N -5.22 4.84 0.86 -0.44 2.01 -1.23 -4.34 115.64 112.11 2ara s THR 117 Ca 0.51 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.65 2ara s THR 117 Cb 0.43 -4.39 0.09 0.00 0.01 0.00 0.00 72.50 68.63 2ara s THR 117 CO -0.30 -0.97 1.01 0.61 -0.69 0.00 0.00 174.62 174.28 2ara n GLY 118 N 5.23 -0.56 2.91 4.40 0.00 0.14 -3.08 105.19 114.24 2ara n GLY 118 Ca -0.08 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 2ara n GLY 118 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ara s PHE 119 N -2.31 -0.03 0.23 1.61 2.19 0.14 -1.31 117.98 118.50 2ara s PHE 119 Ca 0.68 0.07 0.00 0.00 0.33 0.00 0.00 56.93 58.02 2ara s PHE 119 Cb -0.26 0.01 -0.04 0.00 -1.31 0.00 0.00 43.02 41.41 2ara s PHE 119 CO 0.56 -0.03 0.18 0.12 1.83 0.00 0.00 175.22 177.88 2ara s PHE 120 N -0.05 1.26 0.00 10.12 5.36 -0.57 -4.19 117.98 129.92 2ara s PHE 120 Ca -0.01 -1.42 0.00 0.00 -0.96 0.00 0.00 56.93 54.54 2ara s PHE 120 Cb -0.01 -0.56 0.00 0.00 -0.34 0.00 0.00 43.02 42.11 2ara s PHE 120 CO 0.00 -0.71 0.00 -2.13 -1.46 0.00 0.00 175.22 170.92 2ara n ARG 121 N -0.36 0.00 -0.73 10.12 0.63 -1.26 -3.82 116.66 121.24 2ara n ARG 121 Ca 0.03 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.63 2ara n ARG 121 Cb 0.65 0.00 0.15 0.00 0.45 0.00 0.00 32.46 33.71 2ara n ARG 121 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2ara n PRO 122 N 0.00 -1.16 -2.90 -0.14 -0.02 -1.26 -5.00 135.00 124.52 2ara n PRO 122 Ca 0.00 -0.32 -0.33 0.00 -2.02 0.00 0.00 63.50 60.84 2ara n PRO 122 Cb 0.00 -1.67 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 2ara n PRO 122 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 2ara s ASP 123 N -1.80 6.82 0.14 2.55 -4.77 -1.26 -4.75 116.67 113.59 2ara s ASP 123 Ca 0.54 1.49 -0.03 0.00 -3.30 0.00 0.00 52.55 51.26 2ara s ASP 123 Cb -0.13 -2.46 0.25 0.00 -1.09 0.00 0.00 42.92 39.49 2ara s ASP 123 CO 0.67 -0.33 0.75 -0.62 0.70 0.00 0.00 175.17 176.34 2ara n GLU 124 N -0.67 -0.04 -0.06 2.11 1.02 -1.26 -0.17 120.64 121.57 2ara n GLU 124 Ca 0.05 0.75 -0.11 0.00 -0.02 0.00 0.00 57.16 57.83 2ara n GLU 124 Cb 0.54 -1.13 0.02 0.00 -0.02 0.00 0.00 31.44 30.85 2ara n GLU 124 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ara h ALA 125 N 0.96 0.64 0.00 0.62 0.00 -2.04 -3.28 119.26 116.16 2ara h ALA 125 Ca 0.24 -0.48 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 2ara h ALA 125 Cb 0.39 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2ara h ALA 125 CO -0.49 0.67 -0.84 0.45 0.00 0.00 0.00 179.25 179.04 2ara h HIS 126 N 0.61 0.00 -0.01 0.00 -0.00 -0.93 -3.40 115.15 111.43 2ara h HIS 126 Ca 0.04 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.43 2ara h HIS 126 Cb 1.03 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 28.39 2ara h HIS 126 CO 0.06 0.84 -0.49 1.96 -0.00 0.00 0.00 177.93 180.30 2ara h GLN 127 N 0.00 -0.59 -0.59 2.45 1.08 -1.48 -2.33 115.11 113.66 2ara h GLN 127 Ca -0.01 0.04 0.11 0.00 -1.45 0.00 0.00 58.65 57.35 2ara h GLN 127 Cb 1.52 0.13 -0.11 0.00 -0.05 0.00 0.00 27.48 28.97 2ara h GLN 127 CO 0.11 -0.39 -0.23 -1.00 -0.95 0.00 0.00 178.83 176.37 2ara h PRO 128 N -0.61 -0.08 0.00 1.46 0.13 -1.77 0.22 132.00 131.36 2ara h PRO 128 Ca 0.01 0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.11 2ara h PRO 128 Cb 0.66 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 2ara h PRO 128 CO -0.33 -0.05 -0.16 1.25 -0.23 0.00 0.00 178.00 178.47 2ara h HIS 129 N -0.08 0.00 -0.04 1.56 -0.00 -1.78 0.88 115.15 115.68 2ara h HIS 129 Ca 0.27 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.51 2ara h HIS 129 Cb 0.50 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.92 2ara h HIS 129 CO -0.55 0.16 -0.48 0.74 -0.00 0.00 0.00 177.93 177.79 2ara h PHE 130 N 0.00 0.57 0.00 5.26 0.04 -0.06 1.10 116.94 123.85 2ara h PHE 130 Ca -0.00 -0.28 0.00 0.00 2.80 0.00 0.00 57.97 60.49 2ara h PHE 130 Cb 0.28 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.36 2ara h PHE 130 CO 0.00 1.07 0.00 0.77 -0.60 0.00 0.00 178.31 179.55 2ara h SER 131 N -0.09 0.00 0.13 2.17 0.02 -0.82 0.41 113.55 115.39 2ara h SER 131 Ca -0.05 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.61 2ara h SER 131 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2ara h SER 131 CO 0.10 0.00 -1.47 -0.78 -1.14 0.00 0.00 176.83 173.54 2ara h ASP 132 N 0.00 0.44 -0.02 3.07 3.58 -0.68 -1.48 116.42 121.33 2ara h ASP 132 Ca 0.00 -0.88 -0.21 0.00 0.42 0.00 0.00 57.03 56.36 2ara h ASP 132 Cb 0.54 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.45 2ara h ASP 132 CO 0.00 1.65 -0.75 0.25 -2.88 0.00 0.00 179.24 177.51 2ara h LEU 133 N -0.20 0.79 0.05 2.28 7.12 0.15 -2.11 115.31 123.38 2ara h LEU 133 Ca -0.31 -0.51 -0.00 0.00 0.13 0.00 0.00 57.88 57.19 2ara h LEU 133 Cb 1.84 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 41.74 2ara h LEU 133 CO 0.09 1.29 -0.02 0.15 -0.13 0.00 0.00 178.44 179.82 2ara h PHE 134 N 0.46 -0.06 -0.90 1.25 3.04 -0.29 -2.55 116.94 117.91 2ara h PHE 134 Ca -0.04 -0.00 0.16 0.00 3.98 0.00 0.00 57.97 62.07 2ara h PHE 134 Cb 1.36 0.02 -0.10 0.00 2.56 0.00 0.00 35.95 39.79 2ara h PHE 134 CO 0.07 0.07 0.49 0.78 -2.02 0.00 0.00 178.31 177.70 2ara h GLY 135 N -0.17 1.50 1.42 2.40 0.00 -1.24 0.62 103.07 107.60 2ara h GLY 135 Ca -0.01 -0.28 0.07 0.00 0.00 0.00 0.00 47.33 47.11 2ara h GLY 135 CO 0.01 -0.04 0.24 1.46 0.00 0.00 0.00 176.54 178.20 2ara h GLN 136 N 0.66 0.15 0.65 4.80 4.20 -0.97 -2.41 115.11 122.20 2ara h GLN 136 Ca 0.50 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.17 2ara h GLN 136 Cb 0.72 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.47 2ara h GLN 136 CO -0.37 0.10 -0.31 0.82 -0.67 0.00 0.00 178.83 178.40 2ara h ILE 137 N 0.16 0.00 -0.45 2.54 2.04 -0.64 -2.49 117.51 118.66 2ara h ILE 137 Ca 0.15 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.82 2ara h ILE 137 Cb 0.41 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.44 2ara h ILE 137 CO -0.02 0.00 -0.26 -0.38 0.00 0.00 0.00 178.15 177.48 2ara n ILE 138 N -5.02 -0.30 -0.05 -0.67 2.08 -0.93 -1.06 119.36 113.41 2ara n ILE 138 Ca -0.11 1.74 -0.08 0.00 0.56 0.00 0.00 62.75 64.87 2ara n ILE 138 Cb 0.34 -2.22 -0.05 0.00 -0.75 0.00 0.00 39.64 36.97 2ara n ILE 138 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 2ara h ASN 139 N 0.00 -0.98 -0.96 4.38 2.35 -1.58 0.19 115.58 118.97 2ara h ASN 139 Ca 0.07 0.13 0.14 0.00 -0.55 0.00 0.00 56.30 56.09 2ara h ASN 139 Cb 0.18 0.40 -0.15 0.00 0.05 0.00 0.00 38.32 38.80 2ara h ASN 139 CO -0.42 -0.23 -0.40 0.00 -1.65 0.00 0.00 177.43 174.73 2ara n ALA 140 N -2.88 -0.18 0.03 -0.83 0.00 -0.83 -0.16 120.51 115.66 2ara n ALA 140 Ca -0.02 0.94 -0.01 0.00 0.00 0.00 0.00 53.44 54.35 2ara n ALA 140 Cb 0.19 -0.39 0.27 0.00 0.00 0.00 0.00 19.45 19.52 2ara n ALA 140 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2ara h GLY 141 N 0.00 0.47 -2.54 0.00 0.00 -0.00 -1.36 103.07 99.64 2ara h GLY 141 Ca 0.31 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2ara h GLY 141 CO -0.95 0.30 0.00 -1.06 0.00 0.00 0.00 176.54 174.83 2ara n GLN 142 N -4.20 3.33 -3.22 4.80 6.02 0.77 -4.70 117.38 120.19 2ara n GLN 142 Ca 0.00 -2.04 -0.39 0.00 -0.01 0.00 0.00 57.00 54.56 2ara n GLN 142 Cb 0.33 -1.90 -0.06 0.00 1.02 0.00 0.00 30.24 29.64 2ara n GLN 142 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2ara s GLY 143 N -0.61 2.58 -1.25 1.08 0.00 -0.31 -4.99 107.32 103.82 2ara s GLY 143 Ca 0.36 -0.00 -0.20 0.00 0.00 0.00 0.00 44.72 44.87 2ara s GLY 143 CO 0.13 0.75 1.83 1.18 0.00 0.00 0.00 173.10 176.99 2ara n GLU 144 N 2.86 2.50 -4.03 2.90 1.02 -1.26 -4.86 120.64 119.77 2ara n GLU 144 Ca -0.07 -2.91 -0.10 0.00 -0.02 0.00 0.00 57.16 54.07 2ara n GLU 144 Cb 0.51 -3.58 -0.06 0.00 -0.02 0.00 0.00 31.44 28.28 2ara n GLU 144 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2ara s GLY 145 N 5.15 0.70 0.00 0.62 0.00 -1.26 -5.08 107.32 107.46 2ara s GLY 145 Ca 0.60 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 44.29 2ara s GLY 145 CO 0.10 -0.79 0.43 -0.96 0.00 0.00 0.00 173.10 171.88 2ara n ARG 146 N -0.35 0.00 -0.22 2.90 0.00 -1.26 -4.21 116.66 113.53 2ara n ARG 146 Ca -0.01 0.10 0.09 0.00 -0.00 0.00 0.00 57.85 58.02 2ara n ARG 146 Cb 0.63 -0.95 0.24 0.00 -0.00 0.00 0.00 32.46 32.37 2ara n ARG 146 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2ara n TYR 147 N -0.79 0.57 0.19 2.89 4.02 -1.26 -4.46 117.16 118.31 2ara n TYR 147 Ca 0.00 -0.28 0.18 0.00 -0.01 0.00 0.00 57.90 57.78 2ara n TYR 147 Cb 0.00 0.00 0.81 0.00 -0.02 0.00 0.00 39.34 40.13 2ara n TYR 147 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2ara h SER 148 N 2.91 0.00 -0.36 7.72 4.64 -1.87 -1.25 113.55 125.34 2ara h SER 148 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 2ara h SER 148 Cb 0.66 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 2ara h SER 148 CO 0.00 0.00 -0.04 -0.33 -0.87 0.00 0.00 176.83 175.59 2ara h GLU 149 N 0.00 0.75 -0.27 4.77 3.07 -1.78 -2.59 114.58 118.54 2ara h GLU 149 Ca 0.10 -0.21 -0.16 0.00 -0.50 0.00 0.00 59.36 58.59 2ara h GLU 149 Cb 0.58 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.41 2ara h GLU 149 CO -0.00 0.79 -0.45 -0.07 -1.40 0.00 0.00 179.01 177.88 2ara h LEU 150 N 0.70 0.87 -1.34 1.33 3.38 -1.58 -2.47 115.31 116.21 2ara h LEU 150 Ca 0.13 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 2ara h LEU 150 Cb 0.49 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2ara h LEU 150 CO 0.02 1.23 0.35 0.25 0.09 0.00 0.00 178.44 180.39 2ara h LEU 151 N 0.54 0.71 -0.32 1.67 6.46 -1.40 0.99 115.31 123.97 2ara h LEU 151 Ca 0.02 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 2ara h LEU 151 Cb 1.06 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.79 2ara h LEU 151 CO 0.10 0.55 0.13 0.00 -0.62 0.00 0.00 178.44 178.60 2ara h ALA 152 N 1.57 0.41 -0.70 1.25 0.00 -1.37 0.88 119.26 121.30 2ara h ALA 152 Ca 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2ara h ALA 152 Cb -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2ara h ALA 152 CO -0.04 0.01 0.42 0.82 0.00 0.00 0.00 179.25 180.46 2ara h ILE 153 N 0.36 1.20 -0.50 0.00 1.08 -0.77 0.35 117.51 119.24 2ara h ILE 153 Ca 0.11 -0.47 -0.09 0.00 -0.39 0.00 0.00 64.86 64.02 2ara h ILE 153 Cb 0.18 0.24 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 2ara h ILE 153 CO -0.01 0.22 -0.04 -1.13 -0.69 0.00 0.00 178.15 176.50 2ara h ASN 154 N 0.96 0.85 0.17 1.72 -0.73 0.18 -0.31 115.58 118.42 2ara h ASN 154 Ca 0.25 -0.23 -0.28 0.00 1.87 0.00 0.00 56.30 57.91 2ara h ASN 154 Cb -0.02 -0.23 0.02 0.00 0.27 0.00 0.00 38.32 38.37 2ara h ASN 154 CO -0.05 0.93 -1.15 -0.07 -0.37 0.00 0.00 177.43 176.72 2ara h LEU 155 N 0.80 0.80 -1.39 0.34 3.38 0.97 -1.15 115.31 119.06 2ara h LEU 155 Ca 0.14 -0.71 0.08 0.00 0.09 0.00 0.00 57.88 57.49 2ara h LEU 155 Cb 0.53 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2ara h LEU 155 CO 0.03 1.52 0.49 0.25 0.09 0.00 0.00 178.44 180.82 2ara h LEU 156 N 0.28 0.63 0.70 1.67 5.85 0.09 0.23 115.31 124.77 2ara h LEU 156 Ca -0.15 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 2ara h LEU 156 Cb 1.82 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 42.73 2ara h LEU 156 CO 0.22 0.39 -0.34 -0.08 -0.34 0.00 0.00 178.44 178.29 2ara h GLU 157 N 0.71 -0.91 -0.91 1.25 4.81 -0.85 -2.82 114.58 115.86 2ara h GLU 157 Ca 0.34 0.06 0.23 0.00 -0.13 0.00 0.00 59.36 59.85 2ara h GLU 157 Cb 0.38 0.21 -0.13 0.00 0.63 0.00 0.00 28.75 29.84 2ara h GLU 157 CO -0.12 -0.61 0.40 0.37 -0.73 0.00 0.00 179.01 178.32 2ara h GLN 158 N -1.17 0.38 0.17 1.92 4.15 -0.21 -1.95 115.11 118.39 2ara h GLN 158 Ca -0.10 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.32 2ara h GLN 158 Cb 0.72 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.29 2ara h GLN 158 CO 0.16 0.25 -0.32 1.25 -1.93 0.00 0.00 178.83 178.24 2ara h LEU 159 N 0.39 -0.91 -0.05 -2.39 5.85 -0.49 0.11 115.31 117.82 2ara h LEU 159 Ca 0.57 0.10 0.02 0.00 0.84 0.00 0.00 57.88 59.41 2ara h LEU 159 Cb 1.10 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 2ara h LEU 159 CO -0.54 -0.42 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.03 2ara h LEU 160 N -0.58 -0.14 -0.72 2.25 3.38 -1.14 -1.23 115.31 117.14 2ara h LEU 160 Ca 0.02 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.18 2ara h LEU 160 Cb 0.58 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.29 2ara h LEU 160 CO -0.16 -0.07 0.10 -0.07 0.09 0.00 0.00 178.44 178.33 2ara h LEU 161 N -0.06 -0.14 -1.20 1.67 3.38 -1.02 0.34 115.31 118.28 2ara h LEU 161 Ca 0.04 0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.28 2ara h LEU 161 Cb 0.11 0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 2ara h LEU 161 CO -0.08 -0.10 0.58 0.03 0.09 0.00 0.00 178.44 178.96 2ara h ARG 162 N 0.19 0.81 -0.67 1.13 2.47 0.13 -0.20 114.38 118.24 2ara h ARG 162 Ca 0.40 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 59.06 2ara h ARG 162 Cb 0.68 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.79 2ara h ARG 162 CO -0.56 0.54 0.40 -0.09 0.56 0.00 0.00 179.97 180.82 2ara h ARG 163 N 0.84 0.91 0.38 0.04 2.43 0.64 -2.69 114.38 116.93 2ara h ARG 163 Ca 0.44 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.50 2ara h ARG 163 Cb 0.53 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2ara h ARG 163 CO -0.20 0.65 -0.18 0.52 -1.51 0.00 0.00 179.97 179.25 2ara h MET 164 N 0.91 -0.49 0.00 0.20 2.86 -0.64 -2.35 114.93 115.42 2ara h MET 164 Ca 0.24 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2ara h MET 164 Cb -0.02 0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2ara h MET 164 CO -0.04 -0.33 0.32 0.39 1.06 0.00 0.00 176.91 178.31 2ara n GLU 165 N -3.42 0.01 -0.09 1.72 4.71 -0.91 -0.87 120.64 121.79 2ara n GLU 165 Ca -0.06 0.24 -0.16 0.00 -0.01 0.00 0.00 57.16 57.16 2ara n GLU 165 Cb 0.20 -1.84 -0.08 0.00 -1.01 0.00 0.00 31.44 28.70 2ara n GLU 165 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ara h ALA 166 N 0.79 0.17 -0.00 0.62 0.00 -1.10 -3.51 119.26 116.23 2ara h ALA 166 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.98 2ara h ALA 166 Cb 0.64 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2ara h ALA 166 CO 0.00 0.58 0.00 0.44 0.00 0.00 0.00 179.25 180.27