#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sme n SER 2 N 0.00 5.04 -3.76 6.43 7.64 -1.26 -4.76 113.62 122.95 1sme n SER 2 Ca 0.00 -2.80 -0.13 0.00 1.01 0.00 0.00 58.87 56.95 1sme n SER 2 Cb 0.00 -0.89 -0.14 0.00 -1.01 0.00 0.00 64.21 62.17 1sme n SER 2 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1sme s ASN 3 N 0.39 -0.16 0.60 6.43 2.20 -1.25 -4.14 114.94 119.01 1sme s ASN 3 Ca 0.23 0.35 0.00 0.00 -0.94 0.00 0.00 52.86 52.50 1sme s ASN 3 Cb 0.19 0.27 0.00 0.00 -2.00 0.00 0.00 41.25 39.70 1sme s ASN 3 CO 0.01 -0.13 0.00 0.47 -2.94 0.00 0.00 177.10 174.51 1sme n ASP 4 N 3.92 -0.83 -3.00 3.54 9.92 0.20 -4.72 116.55 125.57 1sme n ASP 4 Ca -0.23 -0.18 0.04 0.00 -0.53 0.00 0.00 54.79 53.90 1sme n ASP 4 Cb 0.54 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.02 1sme n ASP 4 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1sme s ASN 5 N -1.70 -0.17 -0.39 -2.24 0.01 -1.22 -3.34 114.94 105.90 1sme s ASN 5 Ca 0.00 -0.02 -0.18 0.00 -0.71 0.00 0.00 52.86 51.95 1sme s ASN 5 Cb 0.00 0.79 0.01 0.00 0.41 0.00 0.00 41.25 42.46 1sme s ASN 5 CO 0.00 -0.03 0.52 -0.63 -1.51 0.00 0.00 177.10 175.45 1sme s ILE 6 N 2.63 4.99 -0.03 0.60 1.01 0.10 -4.87 121.20 125.64 1sme s ILE 6 Ca 0.25 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.68 1sme s ILE 6 Cb 0.01 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.38 1sme s ILE 6 CO -0.20 -0.37 1.70 -0.70 0.00 0.00 0.00 174.94 175.37 1sme s GLU 7 N 2.42 4.18 0.36 2.79 2.12 -1.26 -1.21 118.70 128.09 1sme s GLU 7 Ca 0.18 2.26 -0.08 0.00 0.36 0.00 0.00 54.97 57.69 1sme s GLU 7 Cb -0.16 -3.97 -0.06 0.00 0.26 0.00 0.00 34.13 30.21 1sme s GLU 7 CO 0.15 -0.85 0.68 -0.51 -0.54 0.00 0.00 175.26 174.19 1sme s LEU 8 N 3.95 3.92 -0.02 2.70 1.43 -0.15 -4.56 118.68 125.94 1sme s LEU 8 Ca 0.76 0.94 0.01 0.00 -1.03 0.00 0.00 54.13 54.80 1sme s LEU 8 Cb -0.35 -3.79 0.02 0.00 0.03 0.00 0.00 46.19 42.09 1sme s LEU 8 CO 0.32 -0.32 -0.02 -0.69 0.23 0.00 0.00 176.35 175.86 1sme s VAL 9 N -2.26 0.32 0.28 -1.59 1.01 0.22 -3.21 120.40 115.17 1sme s VAL 9 Ca 0.48 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 1sme s VAL 9 Cb -0.10 -0.35 -0.13 0.00 0.00 0.00 0.00 36.38 35.79 1sme s VAL 9 CO 0.31 0.15 1.28 -0.67 0.00 0.00 0.00 175.10 176.17 1sme n ASP 10 N 3.74 2.39 -3.98 3.32 -0.08 -1.26 0.90 116.55 121.58 1sme n ASP 10 Ca -0.22 1.17 -0.31 0.00 -1.51 0.00 0.00 54.79 53.92 1sme n ASP 10 Cb 0.53 -1.41 -0.15 0.00 2.34 0.00 0.00 41.12 42.43 1sme n ASP 10 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1sme s PHE 11 N -0.60 2.72 -1.43 -0.67 5.36 -0.23 -4.76 117.98 118.37 1sme s PHE 11 Ca 0.63 -2.00 -0.09 0.00 -0.96 0.00 0.00 56.93 54.51 1sme s PHE 11 Cb -0.65 -1.76 0.05 0.00 -0.34 0.00 0.00 43.02 40.33 1sme s PHE 11 CO 0.56 -0.82 0.68 1.04 -1.46 0.00 0.00 175.22 175.22 1sme n GLN 12 N 4.58 -4.58 -4.09 10.12 6.02 -1.26 -2.92 117.38 125.25 1sme n GLN 12 Ca -0.11 0.65 -0.29 0.00 -0.01 0.00 0.00 57.00 57.23 1sme n GLN 12 Cb 0.43 -5.47 -0.08 0.00 1.02 0.00 0.00 30.24 26.14 1sme n GLN 12 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1sme n ASN 13 N -2.53 0.24 0.11 1.08 5.15 -1.26 -4.60 115.26 113.44 1sme n ASN 13 Ca -0.03 -1.10 0.00 0.00 -0.60 0.00 0.00 54.58 52.85 1sme n ASN 13 Cb 0.56 -1.38 0.00 0.00 -0.53 0.00 0.00 39.78 38.44 1sme n ASN 13 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1sme n ILE 14 N -3.97 0.00 -3.14 -1.44 2.08 -1.17 -5.06 119.36 106.65 1sme n ILE 14 Ca -0.19 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.12 1sme n ILE 14 Cb 0.55 -0.43 0.00 0.00 -0.75 0.00 0.00 39.64 39.02 1sme n ILE 14 CO 0.00 0.00 0.00 0.23 0.56 0.00 0.00 176.55 177.34 1sme n MET 15 N -3.14 1.69 -3.47 0.38 2.81 -1.15 -4.75 117.12 109.49 1sme n MET 15 Ca 0.00 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.78 1sme n MET 15 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.49 1sme n MET 15 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 1sme s PHE 16 N 0.60 -0.50 0.28 2.03 -0.12 -1.26 -1.07 117.98 117.94 1sme s PHE 16 Ca 0.00 0.26 0.04 0.00 -0.05 0.00 0.00 56.93 57.18 1sme s PHE 16 Cb 0.00 0.58 -0.06 0.00 -0.63 0.00 0.00 43.02 42.91 1sme s PHE 16 CO 0.00 -0.89 0.01 0.71 -0.05 0.00 0.00 175.22 174.99 1sme s TYR 17 N -3.77 1.81 -0.12 3.49 2.02 0.26 -4.60 117.35 116.44 1sme s TYR 17 Ca 0.02 -0.88 -0.29 0.00 -0.37 0.00 0.00 57.07 55.55 1sme s TYR 17 Cb -0.02 -1.09 0.07 0.00 -0.40 0.00 0.00 41.96 40.52 1sme s TYR 17 CO -0.11 0.05 0.71 0.20 -1.57 0.00 0.00 175.55 174.84 1sme s GLY 18 N -3.41 -0.55 0.55 0.71 0.00 -0.71 0.73 107.32 104.65 1sme s GLY 18 Ca 0.32 1.56 0.01 0.00 0.00 0.00 0.00 44.72 46.62 1sme s GLY 18 CO 0.12 1.19 0.77 0.99 0.00 0.00 0.00 173.10 176.17 1sme s ASP 19 N -0.74 5.27 -0.05 1.64 1.11 -1.26 -0.19 116.67 122.45 1sme s ASP 19 Ca -0.07 -0.03 -0.30 0.00 0.18 0.00 0.00 52.55 52.32 1sme s ASP 19 Cb -0.01 -0.85 0.11 0.00 1.07 0.00 0.00 42.92 43.23 1sme s ASP 19 CO 0.07 -1.14 1.01 0.00 1.18 0.00 0.00 175.17 176.29 1sme s ALA 20 N -2.75 -1.91 0.02 5.23 0.00 -0.11 -4.68 121.76 117.57 1sme s ALA 20 Ca 0.57 1.09 0.02 0.00 0.00 0.00 0.00 51.96 53.64 1sme s ALA 20 Cb -0.10 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 1sme s ALA 20 CO 0.38 -0.71 -0.07 -1.83 0.00 0.00 0.00 175.76 173.53 1sme s GLU 21 N -2.89 0.51 0.34 0.00 1.03 -1.24 0.18 118.70 116.63 1sme s GLU 21 Ca 0.07 -0.50 0.09 0.00 0.03 0.00 0.00 54.97 54.66 1sme s GLU 21 Cb -0.01 -0.38 -0.06 0.00 -0.80 0.00 0.00 34.13 32.88 1sme s GLU 21 CO -0.06 0.09 -0.01 0.08 -1.33 0.00 0.00 175.26 174.02 1sme s VAL 22 N -0.79 2.52 0.00 1.83 1.01 -1.05 -0.87 120.40 123.05 1sme s VAL 22 Ca -0.04 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 59.92 1sme s VAL 22 Cb -0.06 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1sme s VAL 22 CO 0.00 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.52 1sme n GLY 23 N -0.92 -0.50 0.19 4.51 0.00 -1.14 -4.30 105.19 103.01 1sme n GLY 23 Ca -0.04 -1.46 0.03 0.00 0.00 0.00 0.00 46.02 44.55 1sme n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1sme h ASP 24 N 0.00 0.00 -1.11 1.61 2.03 -1.85 -3.41 116.42 113.69 1sme h ASP 24 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1sme h ASP 24 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1sme h ASP 24 CO 0.00 0.38 0.00 -0.46 -1.03 0.00 0.00 179.24 178.13 1sme n ASN 25 N -4.02 0.00 0.00 4.15 6.94 -1.26 -4.99 115.26 116.07 1sme n ASN 25 Ca -0.02 -0.54 0.00 0.00 -0.02 0.00 0.00 54.58 54.00 1sme n ASN 25 Cb 0.42 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 1sme n ASN 25 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1sme n GLN 26 N -0.54 0.00 -2.93 -3.83 7.27 -1.26 -4.80 117.38 111.28 1sme n GLN 26 Ca 0.00 0.09 -0.11 0.00 0.07 0.00 0.00 57.00 57.05 1sme n GLN 26 Cb 0.00 -0.85 0.01 0.00 2.41 0.00 0.00 30.24 31.81 1sme n GLN 26 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1sme n GLN 27 N -0.78 -2.29 -2.60 3.69 6.02 -1.26 -3.56 117.38 116.60 1sme n GLN 27 Ca 0.00 2.02 -0.35 0.00 -0.01 0.00 0.00 57.00 58.66 1sme n GLN 27 Cb 0.00 -5.30 -0.04 0.00 1.02 0.00 0.00 30.24 25.92 1sme n GLN 27 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1sme s PRO 28 N -2.63 4.04 -0.04 -1.09 0.04 -1.26 -2.54 135.00 131.51 1sme s PRO 28 Ca 0.25 1.37 -0.07 0.00 0.04 0.00 0.00 61.00 62.59 1sme s PRO 28 Cb -0.06 -2.29 0.01 0.00 0.04 0.00 0.00 34.50 32.20 1sme s PRO 28 CO 0.78 -0.23 0.17 -0.06 0.04 0.00 0.00 177.00 177.70 1sme s PHE 29 N -1.89 -0.12 -0.15 0.56 0.40 0.13 -4.93 117.98 111.98 1sme s PHE 29 Ca 0.62 0.28 -0.13 0.00 -0.60 0.00 0.00 56.93 57.10 1sme s PHE 29 Cb -0.17 0.03 -0.05 0.00 0.51 0.00 0.00 43.02 43.34 1sme s PHE 29 CO 0.21 -0.17 0.27 0.99 0.70 0.00 0.00 175.22 177.23 1sme s THR 30 N -0.42 5.31 0.32 0.64 2.01 -1.26 -0.93 115.64 121.31 1sme s THR 30 Ca -0.05 0.50 0.07 0.00 0.31 0.00 0.00 61.69 62.52 1sme s THR 30 Cb -0.03 -3.60 -0.06 0.00 0.01 0.00 0.00 72.50 68.81 1sme s THR 30 CO 0.01 0.42 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.97 1sme s PHE 31 N 0.24 2.13 -0.26 4.92 0.40 0.73 -0.54 117.98 125.61 1sme s PHE 31 Ca 0.16 -0.71 -0.07 0.00 -0.60 0.00 0.00 56.93 55.70 1sme s PHE 31 Cb -0.13 -1.31 -0.02 0.00 0.51 0.00 0.00 43.02 42.07 1sme s PHE 31 CO 0.04 0.31 0.08 0.42 0.70 0.00 0.00 175.22 176.76 1sme s ILE 32 N -2.95 4.26 -0.58 0.64 1.01 -0.81 -1.74 121.20 121.04 1sme s ILE 32 Ca 0.32 -0.29 -0.23 0.00 0.00 0.00 0.00 60.65 60.45 1sme s ILE 32 Cb 0.06 -3.04 0.05 0.00 0.01 0.00 0.00 42.46 39.53 1sme s ILE 32 CO 0.14 0.27 0.93 -0.76 0.00 0.00 0.00 174.94 175.52 1sme s LEU 33 N 1.59 4.22 -0.55 2.97 1.43 -1.26 -0.73 118.68 126.35 1sme s LEU 33 Ca 0.06 -0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 52.44 1sme s LEU 33 Cb -0.16 -2.70 0.12 0.00 0.03 0.00 0.00 46.19 43.49 1sme s LEU 33 CO 0.04 -1.26 0.56 -0.62 0.23 0.00 0.00 176.35 175.29 1sme s ASP 34 N 3.04 6.19 0.00 2.29 2.15 0.37 -4.40 116.67 126.30 1sme s ASP 34 Ca 0.27 -1.66 0.16 0.00 0.43 0.00 0.00 52.55 51.75 1sme s ASP 34 Cb -0.14 -2.24 0.87 0.00 -0.30 0.00 0.00 42.92 41.11 1sme s ASP 34 CO 0.16 -0.93 1.43 0.35 -0.17 0.00 0.00 175.17 176.01 1sme n THR 35 N 5.34 0.33 -0.77 1.71 -2.24 -1.26 -0.22 114.28 117.17 1sme n THR 35 Ca -0.13 0.08 0.08 0.00 -2.27 0.00 0.00 64.05 61.82 1sme n THR 35 Cb 0.41 -0.82 0.37 0.00 -2.10 0.00 0.00 70.33 68.18 1sme n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sme n GLY 36 N 0.04 2.99 3.49 3.38 0.00 -1.26 -4.21 105.19 109.61 1sme n GLY 36 Ca 0.09 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 1sme n GLY 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sme s SER 37 N -0.96 -0.59 -0.47 1.61 1.04 -0.99 -5.02 113.70 108.32 1sme s SER 37 Ca 0.51 0.40 0.06 0.00 0.48 0.00 0.00 55.95 57.40 1sme s SER 37 Cb 0.36 0.54 0.40 0.00 0.10 0.00 0.00 66.02 67.42 1sme s SER 37 CO 0.19 -0.72 1.04 0.00 0.98 0.00 0.00 173.24 174.73 1sme n ALA 38 N 0.36 4.73 -3.58 5.32 0.00 -1.26 -1.87 120.51 124.21 1sme n ALA 38 Ca -0.17 -4.32 -0.11 0.00 0.00 0.00 0.00 53.44 48.85 1sme n ALA 38 Cb 0.60 -0.64 -0.10 0.00 0.00 0.00 0.00 19.45 19.31 1sme n ALA 38 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1sme s ASN 39 N -3.45 0.14 -0.15 0.00 0.02 -1.26 -4.36 114.94 105.87 1sme s ASN 39 Ca 0.46 0.63 -0.26 0.00 -1.02 0.00 0.00 52.86 52.67 1sme s ASN 39 Cb 0.37 1.04 -0.01 0.00 0.02 0.00 0.00 41.25 42.67 1sme s ASN 39 CO -0.15 -0.25 0.87 -0.22 0.02 0.00 0.00 177.10 177.37 1sme s LEU 40 N 2.52 4.19 0.07 0.60 2.96 -1.26 -3.61 118.68 124.15 1sme s LEU 40 Ca 0.03 1.26 0.06 0.00 -0.22 0.00 0.00 54.13 55.25 1sme s LEU 40 Cb -0.13 -3.31 -0.03 0.00 0.50 0.00 0.00 46.19 43.22 1sme s LEU 40 CO -0.12 -0.41 -0.15 -1.66 -1.32 0.00 0.00 176.35 172.68 1sme s TRP 41 N 2.12 1.31 0.02 5.38 1.48 -0.97 -1.45 118.94 126.83 1sme s TRP 41 Ca 0.41 -0.43 -0.02 0.00 -1.06 0.00 0.00 56.10 55.00 1sme s TRP 41 Cb -0.17 -0.74 -0.01 0.00 -1.16 0.00 0.00 33.47 31.38 1sme s TRP 41 CO 0.13 0.07 0.01 0.54 -4.06 0.00 0.00 176.95 173.65 1sme s VAL 42 N -1.15 0.11 -0.04 -0.66 0.11 0.14 -3.27 120.40 115.64 1sme s VAL 42 Ca 0.00 -0.87 -0.30 0.00 -2.93 0.00 0.00 61.98 57.88 1sme s VAL 42 Cb -0.09 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.39 1sme s VAL 42 CO 0.02 -0.48 1.05 -2.84 -3.33 0.00 0.00 175.10 169.52 1sme s PRO 43 N -1.50 4.47 0.38 1.54 0.02 -1.26 0.00 135.00 138.65 1sme s PRO 43 Ca -0.15 1.49 -0.04 0.00 0.02 0.00 0.00 61.00 62.32 1sme s PRO 43 Cb -0.09 -3.49 -0.04 0.00 0.02 0.00 0.00 34.50 30.90 1sme s PRO 43 CO -0.01 -0.22 0.66 0.45 -0.33 0.00 0.00 177.00 177.55 1sme s SER 44 N 1.11 6.35 0.49 2.53 0.15 -0.54 -0.21 113.70 123.58 1sme s SER 44 Ca 0.52 0.76 0.33 0.00 0.70 0.00 0.00 55.95 58.27 1sme s SER 44 Cb -0.22 -2.17 1.58 0.00 -1.71 0.00 0.00 66.02 63.50 1sme s SER 44 CO 0.24 -0.38 2.00 0.58 1.20 0.00 0.00 173.24 176.88 1sme h VAL 45 N 0.77 0.00 0.00 4.45 2.07 -1.78 0.16 116.25 121.92 1sme h VAL 45 Ca -0.48 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1sme h VAL 45 Cb 1.20 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1sme h VAL 45 CO 0.63 0.00 0.00 0.29 0.02 0.00 0.00 177.57 178.51 1sme n LYS 46 N -2.79 0.26 -1.79 1.57 4.01 -1.26 -4.83 118.16 113.32 1sme n LYS 46 Ca -0.00 0.08 -0.42 0.00 -0.51 0.00 0.00 58.31 57.45 1sme n LYS 46 Cb 0.18 -1.50 -0.02 0.00 -0.51 0.00 0.00 35.03 33.18 1sme n LYS 46 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1sme n THR 48 N 2.91 0.00 -2.22 0.00 -2.24 -0.95 -5.02 114.28 106.76 1sme n THR 48 Ca 0.11 -0.24 -0.41 0.00 -2.27 0.00 0.00 64.05 61.24 1sme n THR 48 Cb 0.37 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.88 1sme n THR 48 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1sme s THR 49 N -2.68 3.00 0.41 4.28 2.01 -1.24 -4.94 115.64 116.48 1sme s THR 49 Ca -0.03 0.96 0.17 0.00 0.31 0.00 0.00 61.69 63.09 1sme s THR 49 Cb 0.07 -3.61 0.38 0.00 0.01 0.00 0.00 72.50 69.35 1sme s THR 49 CO 0.44 0.21 1.84 0.00 -0.69 0.00 0.00 174.62 176.41 1sme h ALA 50 N 3.99 2.18 -0.46 7.40 0.00 -1.95 -1.40 119.26 129.01 1sme h ALA 50 Ca -0.47 0.03 0.13 0.00 0.00 0.00 0.00 54.91 54.60 1sme h ALA 50 Cb 1.22 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1sme h ALA 50 CO 0.69 -0.49 0.57 0.78 0.00 0.00 0.00 179.25 180.79 1sme h GLY 51 N 0.43 0.00 2.00 0.00 0.00 -1.92 -0.37 103.07 103.21 1sme h GLY 51 Ca 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.81 1sme h GLY 51 CO -0.21 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 176.26 1sme h LEU 53 N 0.00 0.25 0.00 0.00 6.46 -1.24 0.36 115.31 121.13 1sme h LEU 53 Ca -0.00 0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 57.79 1sme h LEU 53 Cb 1.06 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.05 1sme h LEU 53 CO 0.01 -0.07 -1.36 0.41 -0.62 0.00 0.00 178.44 176.81 1sme n THR 54 N -4.55 0.68 -1.57 1.05 -1.04 -1.26 -5.00 114.28 102.60 1sme n THR 54 Ca 0.33 -0.59 -0.30 0.00 -2.04 0.00 0.00 64.05 61.45 1sme n THR 54 Cb 1.30 -0.38 0.08 0.00 -1.82 0.00 0.00 70.33 69.51 1sme n THR 54 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1sme s LYS 55 N -3.24 2.27 -0.09 -2.82 -0.14 0.12 -5.04 119.74 110.81 1sme s LYS 55 Ca -0.03 0.69 -0.18 0.00 -1.36 0.00 0.00 55.97 55.09 1sme s LYS 55 Cb 0.10 -1.94 -0.05 0.00 -1.68 0.00 0.00 37.83 34.27 1sme s LYS 55 CO 0.82 -1.50 0.48 -1.01 -0.76 0.00 0.00 175.35 173.38 1sme s HIS 56 N -3.14 3.57 0.18 3.18 3.76 -1.26 -5.05 115.29 116.52 1sme s HIS 56 Ca 0.60 0.94 0.09 0.00 -0.15 0.00 0.00 55.06 56.54 1sme s HIS 56 Cb -0.14 -2.52 -0.04 0.00 1.11 0.00 0.00 32.58 30.99 1sme s HIS 56 CO 0.54 0.26 -0.10 -0.51 -0.85 0.00 0.00 174.74 174.08 1sme s LEU 57 N 0.27 2.94 -0.18 0.89 1.43 -1.26 -4.49 118.68 118.28 1sme s LEU 57 Ca 0.26 -0.59 -0.10 0.00 -1.03 0.00 0.00 54.13 52.68 1sme s LEU 57 Cb -0.16 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 1sme s LEU 57 CO 0.11 0.11 0.15 -0.47 0.23 0.00 0.00 176.35 176.48 1sme s TYR 58 N -1.68 3.46 -0.36 0.29 5.04 0.71 -4.78 117.35 120.03 1sme s TYR 58 Ca 0.24 0.40 -0.01 0.00 -2.44 0.00 0.00 57.07 55.26 1sme s TYR 58 Cb -0.09 -2.12 0.09 0.00 0.35 0.00 0.00 41.96 40.19 1sme s TYR 58 CO 0.15 0.40 0.11 0.34 -1.34 0.00 0.00 175.55 175.20 1sme s ASP 59 N 0.03 5.03 0.15 4.32 -1.08 -1.26 -2.43 116.67 121.42 1sme s ASP 59 Ca 0.10 -1.83 -0.17 0.00 -0.52 0.00 0.00 52.55 50.14 1sme s ASP 59 Cb -0.11 -1.75 0.01 0.00 -1.46 0.00 0.00 42.92 39.60 1sme s ASP 59 CO -0.00 -0.42 1.80 0.77 0.52 0.00 0.00 175.17 177.84 1sme h SER 60 N 7.94 0.45 0.01 -0.34 4.64 -1.98 -1.80 113.55 122.47 1sme h SER 60 Ca -0.13 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1sme h SER 60 Cb 1.05 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1sme h SER 60 CO 0.61 0.33 -0.00 0.77 -0.87 0.00 0.00 176.83 177.67 1sme h SER 61 N 0.52 0.00 -0.36 4.97 4.64 -1.99 0.39 113.55 121.72 1sme h SER 61 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1sme h SER 61 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1sme h SER 61 CO -0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.22 1sme n LYS 62 N -3.59 1.88 -3.93 4.77 5.02 -0.68 -4.79 118.16 116.84 1sme n LYS 62 Ca -0.03 -1.32 -0.29 0.00 -2.02 0.00 0.00 58.31 54.65 1sme n LYS 62 Cb 0.08 -1.30 -0.16 0.00 -0.02 0.00 0.00 35.03 33.63 1sme n LYS 62 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1sme s SER 63 N -0.98 2.99 0.27 4.39 0.15 0.14 -4.74 113.70 115.91 1sme s SER 63 Ca 0.25 -0.72 -0.00 0.00 0.70 0.00 0.00 55.95 56.17 1sme s SER 63 Cb 0.13 -1.02 0.55 0.00 -1.71 0.00 0.00 66.02 63.98 1sme s SER 63 CO 0.16 -0.17 1.76 0.03 1.20 0.00 0.00 173.24 176.22 1sme h ARG 64 N 8.07 0.59 0.00 5.44 3.08 -1.87 -2.05 114.38 127.65 1sme h ARG 64 Ca -0.26 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1sme h ARG 64 Cb 1.11 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1sme h ARG 64 CO 0.43 0.39 0.00 2.41 -1.07 0.00 0.00 179.97 182.13 1sme n THR 65 N -4.88 0.18 -1.60 2.04 -1.04 -1.26 -4.89 114.28 102.84 1sme n THR 65 Ca 0.18 0.05 -0.45 0.00 -2.04 0.00 0.00 64.05 61.78 1sme n THR 65 Cb 0.46 -0.66 -0.04 0.00 -1.82 0.00 0.00 70.33 68.26 1sme n THR 65 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sme n TYR 66 N -1.19 2.07 -3.70 -1.42 9.36 -0.77 -4.44 117.16 117.07 1sme n TYR 66 Ca 0.13 -0.09 -0.38 0.00 3.32 0.00 0.00 57.90 60.88 1sme n TYR 66 Cb 0.15 -2.70 -0.12 0.00 -0.63 0.00 0.00 39.34 36.04 1sme n TYR 66 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1sme s GLU 67 N 5.56 3.04 0.65 2.98 2.02 0.17 -4.99 118.70 128.13 1sme s GLU 67 Ca 0.99 -0.91 -0.11 0.00 0.02 0.00 0.00 54.97 54.96 1sme s GLU 67 Cb -0.51 -3.51 0.17 0.00 0.10 0.00 0.00 34.13 30.38 1sme s GLU 67 CO 0.42 -0.52 0.49 0.36 0.02 0.00 0.00 175.26 176.03 1sme n LYS 68 N 4.92 -2.61 0.00 1.61 2.85 -1.26 -0.07 118.16 123.59 1sme n LYS 68 Ca -0.13 -0.80 0.00 0.00 -1.05 0.00 0.00 58.31 56.32 1sme n LYS 68 Cb 0.47 -0.85 0.00 0.00 -0.65 0.00 0.00 35.03 34.00 1sme n LYS 68 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1sme n ASP 69 N -4.11 0.00 0.00 -5.58 -0.08 -1.26 -4.48 116.55 101.04 1sme n ASP 69 Ca 0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 1sme n ASP 69 Cb 0.29 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.75 1sme n ASP 69 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sme n GLY 70 N -0.59 0.76 3.60 0.27 0.00 -0.05 -4.99 105.19 104.19 1sme n GLY 70 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1sme n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sme s THR 71 N -2.33 3.56 0.49 2.61 -4.23 -1.26 -4.64 115.64 109.84 1sme s THR 71 Ca 0.00 0.57 -0.22 0.00 -1.18 0.00 0.00 61.69 60.86 1sme s THR 71 Cb 0.00 -3.73 -0.08 0.00 1.34 0.00 0.00 72.50 70.03 1sme s THR 71 CO 0.00 -0.45 1.02 0.29 -0.54 0.00 0.00 174.62 174.94 1sme n LYS 72 N 8.30 1.25 -4.03 3.99 5.02 -1.26 -0.81 118.16 130.62 1sme n LYS 72 Ca 0.22 0.46 -0.10 0.00 -2.02 0.00 0.00 58.31 56.87 1sme n LYS 72 Cb 0.47 -2.13 -0.08 0.00 -0.02 0.00 0.00 35.03 33.26 1sme n LYS 72 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1sme s VAL 73 N -1.37 0.08 -0.23 -0.18 1.01 0.95 -4.82 120.40 115.85 1sme s VAL 73 Ca 0.68 -1.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 1sme s VAL 73 Cb -0.49 -1.91 0.09 0.00 0.00 0.00 0.00 36.38 34.07 1sme s VAL 73 CO 0.53 -0.37 0.17 -0.70 0.00 0.00 0.00 175.10 174.74 1sme s GLU 74 N -4.00 0.17 -0.46 2.72 2.12 -1.26 -1.95 118.70 116.04 1sme s GLU 74 Ca 0.20 -0.12 -0.23 0.00 0.36 0.00 0.00 54.97 55.17 1sme s GLU 74 Cb 0.05 -1.29 0.03 0.00 0.26 0.00 0.00 34.13 33.18 1sme s GLU 74 CO 0.01 -0.81 0.82 1.41 -0.54 0.00 0.00 175.26 176.14 1sme s MET 75 N 2.22 3.41 -0.21 4.30 -2.45 0.49 -4.90 119.30 122.15 1sme s MET 75 Ca 0.06 -0.11 -0.10 0.00 -1.25 0.00 0.00 55.69 54.29 1sme s MET 75 Cb -0.16 -3.95 -0.05 0.00 1.25 0.00 0.00 34.83 31.92 1sme s MET 75 CO -0.21 -1.18 0.15 -0.80 1.05 0.00 0.00 175.02 174.04 1sme s ASN 76 N 2.24 6.19 0.43 1.11 0.01 -1.26 -1.03 114.94 122.64 1sme s ASN 76 Ca 0.31 0.21 0.06 0.00 -0.71 0.00 0.00 52.86 52.73 1sme s ASN 76 Cb -0.12 -2.10 -0.06 0.00 0.41 0.00 0.00 41.25 39.38 1sme s ASN 76 CO 0.23 0.13 0.09 -0.31 -1.51 0.00 0.00 177.10 175.73 1sme s TYR 77 N 0.62 2.44 0.12 2.20 2.02 0.25 -4.99 117.35 120.01 1sme s TYR 77 Ca 0.08 -0.68 0.30 0.00 -0.37 0.00 0.00 57.07 56.41 1sme s TYR 77 Cb -0.12 -1.83 1.21 0.00 -0.40 0.00 0.00 41.96 40.81 1sme s TYR 77 CO 0.01 0.28 1.93 0.28 -1.57 0.00 0.00 175.55 176.48 1sme h VAL 78 N 1.55 0.20 0.00 0.71 2.07 -1.99 -3.20 116.25 115.60 1sme h VAL 78 Ca -0.43 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1sme h VAL 78 Cb 1.26 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1sme h VAL 78 CO 0.75 0.08 -1.20 -1.20 0.02 0.00 0.00 177.57 176.02 1sme n SER 79 N -3.21 0.91 -3.64 0.57 7.64 -1.26 -5.08 113.62 109.56 1sme n SER 79 Ca 0.00 -0.52 0.02 0.00 1.01 0.00 0.00 58.87 59.39 1sme n SER 79 Cb 0.35 1.33 -0.00 0.00 -1.01 0.00 0.00 64.21 64.87 1sme n SER 79 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1sme s GLY 80 N -3.15 -0.40 0.11 0.23 0.00 -1.21 -4.85 107.32 98.05 1sme s GLY 80 Ca 0.01 0.66 0.09 0.00 0.00 0.00 0.00 44.72 45.48 1sme s GLY 80 CO 0.69 0.98 -0.22 -1.59 0.00 0.00 0.00 173.10 172.96 1sme s THR 81 N -2.26 1.81 -0.09 0.90 2.01 -0.88 0.87 115.64 118.00 1sme s THR 81 Ca 0.17 -1.59 -0.04 0.00 0.31 0.00 0.00 61.69 60.54 1sme s THR 81 Cb 0.05 -1.64 0.05 0.00 0.01 0.00 0.00 72.50 70.96 1sme s THR 81 CO -0.04 -0.04 0.19 0.54 -0.69 0.00 0.00 174.62 174.58 1sme s VAL 82 N -1.16 -0.24 0.20 3.82 0.11 -0.19 -3.41 120.40 119.53 1sme s VAL 82 Ca 0.08 0.29 0.04 0.00 -2.93 0.00 0.00 61.98 59.46 1sme s VAL 82 Cb -0.10 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.39 1sme s VAL 82 CO 0.05 0.12 0.30 -0.44 -3.33 0.00 0.00 175.10 171.80 1sme s SER 83 N 2.03 6.20 0.00 3.54 0.01 -0.89 -0.38 113.70 124.21 1sme s SER 83 Ca -0.01 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.32 1sme s SER 83 Cb -0.12 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.30 1sme s SER 83 CO -0.07 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1sme n GLY 84 N -0.99 -0.75 3.27 3.44 0.00 -0.82 -1.25 105.19 108.09 1sme n GLY 84 Ca -0.08 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 1sme n GLY 84 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sme s PHE 85 N -4.00 -0.16 0.64 1.61 -0.12 -0.99 -0.03 117.98 114.93 1sme s PHE 85 Ca 0.00 0.08 -0.15 0.00 -0.05 0.00 0.00 56.93 56.81 1sme s PHE 85 Cb 0.00 0.13 -0.01 0.00 -0.63 0.00 0.00 43.02 42.51 1sme s PHE 85 CO 0.00 -0.51 1.10 -0.06 -0.05 0.00 0.00 175.22 175.70 1sme s PHE 86 N -2.39 2.69 0.09 3.49 0.08 0.01 -0.89 117.98 121.06 1sme s PHE 86 Ca -0.06 1.54 -0.25 0.00 0.12 0.00 0.00 56.93 58.28 1sme s PHE 86 Cb -0.01 -3.14 0.08 0.00 -0.57 0.00 0.00 43.02 39.37 1sme s PHE 86 CO -0.02 -1.57 0.69 -1.12 -0.10 0.00 0.00 175.22 173.10 1sme s SER 87 N -2.59 -0.52 0.05 1.36 0.01 -1.05 -0.87 113.70 110.09 1sme s SER 87 Ca 0.67 0.09 0.06 0.00 1.31 0.00 0.00 55.95 58.07 1sme s SER 87 Cb -0.20 0.53 -0.02 0.00 0.21 0.00 0.00 66.02 66.54 1sme s SER 87 CO 0.40 -0.83 -0.16 -0.75 0.41 0.00 0.00 173.24 172.31 1sme s LYS 88 N -3.25 1.00 0.04 12.44 2.20 0.89 -1.78 119.74 131.28 1sme s LYS 88 Ca 0.01 -0.86 -0.28 0.00 -0.36 0.00 0.00 55.97 54.48 1sme s LYS 88 Cb -0.01 -1.05 0.10 0.00 -1.51 0.00 0.00 37.83 35.36 1sme s LYS 88 CO -0.09 0.26 1.21 0.34 -0.36 0.00 0.00 175.35 176.70 1sme s ASP 89 N -1.33 -0.03 0.72 1.43 -1.08 -0.66 0.44 116.67 116.15 1sme s ASP 89 Ca 0.02 -0.29 -0.12 0.00 -0.52 0.00 0.00 52.55 51.64 1sme s ASP 89 Cb -0.09 0.25 0.03 0.00 -1.46 0.00 0.00 42.92 41.65 1sme s ASP 89 CO 0.02 -0.49 1.09 -0.22 0.52 0.00 0.00 175.17 176.09 1sme s LEU 90 N -3.36 3.18 -0.07 -1.34 2.96 -1.26 -0.14 118.68 118.65 1sme s LEU 90 Ca 0.21 1.84 -0.02 0.00 -0.22 0.00 0.00 54.13 55.94 1sme s LEU 90 Cb 0.01 -4.53 0.03 0.00 0.50 0.00 0.00 46.19 42.21 1sme s LEU 90 CO -0.00 -1.78 0.05 -0.69 -1.32 0.00 0.00 176.35 172.60 1sme s VAL 91 N -2.73 0.01 -0.83 1.68 1.01 -0.90 -2.90 120.40 115.73 1sme s VAL 91 Ca 0.62 0.27 -0.10 0.00 0.00 0.00 0.00 61.98 62.78 1sme s VAL 91 Cb -0.18 -0.30 0.22 0.00 0.00 0.00 0.00 36.38 36.12 1sme s VAL 91 CO 0.50 0.13 0.75 -0.89 0.00 0.00 0.00 175.10 175.60 1sme s THR 92 N 2.12 5.16 -0.41 3.92 2.01 -0.05 -2.69 115.64 125.71 1sme s THR 92 Ca 0.04 -2.85 -0.25 0.00 0.31 0.00 0.00 61.69 58.94 1sme s THR 92 Cb -0.13 -4.20 0.02 0.00 0.01 0.00 0.00 72.50 68.20 1sme s THR 92 CO -0.04 -1.03 0.92 -0.69 -0.69 0.00 0.00 174.62 173.09 1sme s VAL 93 N -0.24 4.54 0.00 3.82 1.01 -0.35 -3.67 120.40 125.51 1sme s VAL 93 Ca 0.20 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1sme s VAL 93 Cb -0.12 -4.37 0.00 0.00 0.00 0.00 0.00 36.38 31.89 1sme s VAL 93 CO -0.08 -0.66 0.00 0.61 0.00 0.00 0.00 175.10 174.97 1sme n GLY 94 N 4.63 0.68 0.00 4.51 0.00 -1.26 -1.50 105.19 112.25 1sme n GLY 94 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1sme n GLY 94 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sme n ASN 95 N 1.37 0.00 -4.83 1.61 0.23 -1.26 -4.95 115.26 107.42 1sme n ASN 95 Ca 0.00 0.00 -0.34 0.00 -0.53 0.00 0.00 54.58 53.71 1sme n ASN 95 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 1sme n ASN 95 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1sme s LEU 96 N 0.00 4.21 0.10 -4.53 1.43 -0.56 -5.07 118.68 114.26 1sme s LEU 96 Ca 0.00 1.32 0.03 0.00 -1.03 0.00 0.00 54.13 54.45 1sme s LEU 96 Cb 0.00 -3.80 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 1sme s LEU 96 CO 0.00 -0.08 -0.08 -0.44 0.23 0.00 0.00 176.35 175.98 1sme s SER 97 N -1.96 1.30 -0.26 2.29 0.01 -1.26 -1.21 113.70 112.61 1sme s SER 97 Ca 0.48 -0.91 -0.26 0.00 1.31 0.00 0.00 55.95 56.57 1sme s SER 97 Cb -0.13 0.05 0.11 0.00 0.21 0.00 0.00 66.02 66.26 1sme s SER 97 CO 0.19 -0.36 0.98 -1.48 0.41 0.00 0.00 173.24 172.97 1sme s LEU 98 N -2.76 -0.49 -0.29 2.44 2.34 -1.09 -4.95 118.68 113.88 1sme s LEU 98 Ca 0.09 0.91 -0.28 0.00 0.06 0.00 0.00 54.13 54.91 1sme s LEU 98 Cb 0.01 1.98 -0.05 0.00 -0.56 0.00 0.00 46.19 47.58 1sme s LEU 98 CO -0.02 -0.19 2.18 -2.84 -1.06 0.00 0.00 176.35 174.42 1sme s PRO 99 N 0.09 2.98 0.09 1.48 0.02 -1.26 -2.12 135.00 136.28 1sme s PRO 99 Ca 0.02 1.81 0.09 0.00 0.02 0.00 0.00 61.00 62.95 1sme s PRO 99 Cb -0.04 -4.38 -0.03 0.00 0.02 0.00 0.00 34.50 30.06 1sme s PRO 99 CO -0.04 -2.27 -0.25 -0.47 -0.33 0.00 0.00 177.00 173.64 1sme s TYR 100 N 8.75 2.14 -0.14 6.54 5.04 0.80 -4.95 117.35 135.54 1sme s TYR 100 Ca 0.96 -0.40 -0.14 0.00 -2.44 0.00 0.00 57.07 55.06 1sme s TYR 100 Cb -0.29 -1.22 -0.05 0.00 0.35 0.00 0.00 41.96 40.76 1sme s TYR 100 CO 0.33 0.21 0.32 0.21 -1.34 0.00 0.00 175.55 175.28 1sme s LYS 101 N -1.65 4.19 0.00 4.97 2.20 -1.26 -1.65 119.74 126.52 1sme s LYS 101 Ca 0.11 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 1sme s LYS 101 Cb -0.10 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 1sme s LYS 101 CO 0.04 0.31 0.00 1.97 -0.36 0.00 0.00 175.35 177.30 1sme n PHE 102 N 3.32 -0.09 -5.05 4.03 1.16 -0.74 -4.68 117.46 115.42 1sme n PHE 102 Ca -0.12 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.16 1sme n PHE 102 Cb 0.52 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.22 1sme n PHE 102 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1sme s ILE 103 N -1.86 1.80 -0.62 1.97 1.09 -0.53 -2.51 121.20 120.54 1sme s ILE 103 Ca 0.00 -0.88 -0.19 0.00 -1.10 0.00 0.00 60.65 58.49 1sme s ILE 103 Cb 0.00 -1.57 0.11 0.00 -1.06 0.00 0.00 42.46 39.94 1sme s ILE 103 CO 0.00 0.50 0.73 -1.61 -0.10 0.00 0.00 174.94 174.46 1sme s GLU 104 N 0.36 3.10 0.21 2.79 2.02 -0.07 -0.69 118.70 126.43 1sme s GLU 104 Ca -0.16 -1.41 -0.30 0.00 0.02 0.00 0.00 54.97 53.12 1sme s GLU 104 Cb -0.17 -4.31 -0.08 0.00 0.10 0.00 0.00 34.13 29.67 1sme s GLU 104 CO 0.07 -1.54 0.99 0.08 0.02 0.00 0.00 175.26 174.87 1sme s VAL 105 N 2.54 4.06 0.00 2.63 1.01 0.10 -2.33 120.40 128.41 1sme s VAL 105 Ca 0.13 1.94 0.00 0.00 0.00 0.00 0.00 61.98 64.05 1sme s VAL 105 Cb -0.22 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1sme s VAL 105 CO 0.04 0.41 0.00 2.30 0.00 0.00 0.00 175.10 177.86 1sme n ILE 106 N 1.85 0.00 -3.85 2.22 -5.35 -0.38 -1.47 119.36 112.37 1sme n ILE 106 Ca -0.00 -0.19 -0.27 0.00 -0.27 0.00 0.00 62.75 62.02 1sme n ILE 106 Cb 0.47 0.79 -0.17 0.00 -1.74 0.00 0.00 39.64 38.99 1sme n ILE 106 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1sme s ASP 107 N -0.67 2.62 -0.18 7.28 -1.08 -1.13 -2.25 116.67 121.25 1sme s ASP 107 Ca 0.00 -0.58 0.16 0.00 -0.52 0.00 0.00 52.55 51.61 1sme s ASP 107 Cb 0.00 -0.80 0.44 0.00 -1.46 0.00 0.00 42.92 41.11 1sme s ASP 107 CO 0.00 -0.20 1.33 0.35 0.52 0.00 0.00 175.17 177.18 1sme n THR 108 N 4.94 2.20 -0.02 1.71 -2.24 -1.26 -2.09 114.28 117.52 1sme n THR 108 Ca -0.11 -2.21 -0.03 0.00 -2.27 0.00 0.00 64.05 59.43 1sme n THR 108 Cb 0.48 -0.26 0.21 0.00 -2.10 0.00 0.00 70.33 68.66 1sme n THR 108 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1sme h ASN 109 N 1.06 0.57 -0.26 3.42 2.35 -1.94 -2.83 115.58 117.95 1sme h ASN 109 Ca 0.03 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1sme h ASN 109 Cb 1.31 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.53 1sme h ASN 109 CO 0.17 0.73 0.00 0.61 -1.65 0.00 0.00 177.43 177.29 1sme n GLY 110 N -0.55 1.23 1.52 2.83 0.00 -1.26 -3.79 105.19 105.18 1sme n GLY 110 Ca 0.01 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 1sme n GLY 110 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1sme n PHE 111 N 0.31 1.10 -4.32 1.61 7.35 -1.07 -2.06 117.46 120.38 1sme n PHE 111 Ca 0.10 -1.68 -0.25 0.00 -0.76 0.00 0.00 57.45 54.87 1sme n PHE 111 Cb 0.44 -0.26 -0.09 0.00 0.35 0.00 0.00 39.48 39.92 1sme n PHE 111 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1sme s GLU 112 N -2.95 2.08 0.05 -4.13 0.41 -1.25 -1.06 118.70 111.86 1sme s GLU 112 Ca 0.40 -1.39 0.25 0.00 -0.41 0.00 0.00 54.97 53.82 1sme s GLU 112 Cb 0.38 -2.11 1.01 0.00 -1.78 0.00 0.00 34.13 31.64 1sme s GLU 112 CO -0.04 0.40 1.78 -0.35 -0.49 0.00 0.00 175.26 176.56 1sme n PRO 113 N -0.37 0.05 -0.14 0.39 -0.04 -1.26 -4.92 135.00 128.71 1sme n PRO 113 Ca -0.09 0.12 -0.04 0.00 -0.04 0.00 0.00 63.50 63.45 1sme n PRO 113 Cb 0.57 -1.57 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 1sme n PRO 113 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1sme n THR 114 N -1.66 -0.23 0.10 0.52 -1.04 -1.23 -0.89 114.28 109.85 1sme n THR 114 Ca 0.06 1.26 -0.14 0.00 -2.04 0.00 0.00 64.05 63.18 1sme n THR 114 Cb 0.31 -1.60 -0.08 0.00 -1.82 0.00 0.00 70.33 67.14 1sme n THR 114 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1sme h TYR 115 N 0.00 -1.24 0.00 -1.42 3.20 -1.45 0.23 116.97 116.29 1sme h TYR 115 Ca 0.05 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1sme h TYR 115 Cb 0.14 0.53 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 1sme h TYR 115 CO -0.62 -0.53 -0.05 1.15 -1.64 0.00 0.00 178.16 176.47 1sme h THR 116 N -0.65 0.67 0.00 1.81 2.02 -1.65 -2.37 112.91 112.74 1sme h THR 116 Ca 0.02 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1sme h THR 116 Cb 0.69 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1sme h THR 116 CO -0.27 0.05 -0.66 0.00 0.37 0.00 0.00 175.52 175.01 1sme h ALA 117 N 1.95 0.61 -1.89 6.16 0.00 0.27 -3.47 119.26 122.88 1sme h ALA 117 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.46 1sme h ALA 117 Cb 0.12 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1sme h ALA 117 CO 0.01 0.00 -0.31 -1.54 0.00 0.00 0.00 179.25 177.41 1sme s SER 118 N -4.74 5.99 0.00 0.00 1.04 0.69 -5.04 113.70 111.64 1sme s SER 118 Ca 0.04 -0.08 0.24 0.00 0.48 0.00 0.00 55.95 56.64 1sme s SER 118 Cb 0.11 -1.35 0.33 0.00 0.10 0.00 0.00 66.02 65.22 1sme s SER 118 CO 0.73 -0.43 1.32 0.41 0.98 0.00 0.00 173.24 176.25 1sme n THR 119 N -1.68 0.00 -2.46 2.02 -1.04 -1.26 -4.94 114.28 104.92 1sme n THR 119 Ca -0.01 -0.31 -0.29 0.00 -2.04 0.00 0.00 64.05 61.40 1sme n THR 119 Cb 0.58 1.07 -0.01 0.00 -1.82 0.00 0.00 70.33 70.15 1sme n THR 119 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1sme s PHE 120 N -2.27 3.55 -0.27 -1.42 -0.71 -1.26 -4.91 117.98 110.69 1sme s PHE 120 Ca 0.25 1.04 -0.07 0.00 -1.04 0.00 0.00 56.93 57.11 1sme s PHE 120 Cb 0.19 -2.48 -0.14 0.00 -1.21 0.00 0.00 43.02 39.38 1sme s PHE 120 CO 0.45 -0.36 -0.30 -0.25 -1.34 0.00 0.00 175.22 173.42 1sme n ASP 121 N -2.13 1.97 -2.50 1.98 8.00 0.30 -4.96 116.55 119.21 1sme n ASP 121 Ca 0.03 0.13 -0.13 0.00 0.71 0.00 0.00 54.79 55.53 1sme n ASP 121 Cb 0.54 -0.64 -0.05 0.00 -0.02 0.00 0.00 41.12 40.96 1sme n ASP 121 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sme n GLY 122 N 1.70 3.42 2.99 0.44 0.00 -0.93 -4.49 105.19 108.32 1sme n GLY 122 Ca -0.51 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 43.36 1sme n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sme s ILE 123 N -2.72 1.37 -0.38 -0.61 1.01 -1.20 -1.93 121.20 116.74 1sme s ILE 123 Ca 0.21 -0.52 -0.09 0.00 0.00 0.00 0.00 60.65 60.25 1sme s ILE 123 Cb 0.01 -1.31 0.05 0.00 0.01 0.00 0.00 42.46 41.22 1sme s ILE 123 CO 0.15 0.42 0.19 -0.22 0.00 0.00 0.00 174.94 175.48 1sme s LEU 124 N 1.45 4.75 0.21 2.97 0.20 0.09 -2.30 118.68 126.05 1sme s LEU 124 Ca 0.02 -1.22 -0.30 0.00 0.69 0.00 0.00 54.13 53.33 1sme s LEU 124 Cb -0.13 -1.96 -0.08 0.00 -0.43 0.00 0.00 46.19 43.58 1sme s LEU 124 CO -0.08 -0.42 1.11 -0.83 -0.29 0.00 0.00 176.35 175.84 1sme s GLY 125 N 1.69 2.90 -0.23 7.98 0.00 -1.24 -0.48 107.32 117.95 1sme s GLY 125 Ca 0.01 0.86 0.11 0.00 0.00 0.00 0.00 44.72 45.70 1sme s GLY 125 CO 0.04 1.63 1.20 1.04 0.00 0.00 0.00 173.10 177.01 1sme n LEU 126 N 1.99 3.38 0.00 0.66 4.77 0.70 -4.56 117.00 123.93 1sme n LEU 126 Ca 0.02 -4.08 0.00 0.00 -0.03 0.00 0.00 56.01 51.92 1sme n LEU 126 Cb 0.45 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1sme n LEU 126 CO 0.54 1.60 0.00 0.61 -1.33 0.00 0.00 177.39 178.81 1sme n GLY 127 N -0.87 3.03 3.88 -0.72 0.00 -0.94 -4.65 105.19 104.93 1sme n GLY 127 Ca 0.27 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 1sme n GLY 127 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sme s TRP 128 N 1.79 3.46 0.25 1.61 0.52 -0.42 -4.73 118.94 121.42 1sme s TRP 128 Ca 0.00 0.74 -0.11 0.00 0.02 0.00 0.00 56.10 56.75 1sme s TRP 128 Cb 0.00 -2.15 0.37 0.00 -1.15 0.00 0.00 33.47 30.54 1sme s TRP 128 CO 0.00 0.35 1.58 -0.22 0.02 0.00 0.00 176.95 178.68 1sme h LYS 129 N 2.74 -0.01 0.00 4.98 3.11 -1.82 0.14 116.57 125.71 1sme h LYS 129 Ca -0.47 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 1sme h LYS 129 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 1sme h LYS 129 CO 0.70 -0.01 0.00 -0.25 -2.81 0.00 0.00 179.45 177.09 1sme n ASP 130 N -5.56 0.12 -0.17 4.20 8.00 -1.26 0.19 116.55 122.07 1sme n ASP 130 Ca 0.13 0.56 0.12 0.00 0.71 0.00 0.00 54.79 56.31 1sme n ASP 130 Cb 0.44 -0.57 0.24 0.00 -0.02 0.00 0.00 41.12 41.20 1sme n ASP 130 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1sme n LEU 131 N -1.67 0.98 -4.92 0.64 7.94 0.47 -4.96 117.00 115.50 1sme n LEU 131 Ca -0.00 -0.27 -0.27 0.00 -1.11 0.00 0.00 56.01 54.36 1sme n LEU 131 Cb 0.01 -0.13 -0.02 0.00 0.53 0.00 0.00 43.42 43.80 1sme n LEU 131 CO 0.02 0.20 0.17 -0.94 -1.11 0.00 0.00 177.39 175.74 1sme s SER 132 N -2.71 6.39 -0.21 1.96 1.04 0.13 -4.25 113.70 116.05 1sme s SER 132 Ca 0.18 0.60 -0.07 0.00 0.48 0.00 0.00 55.95 57.13 1sme s SER 132 Cb 0.18 -2.09 -0.03 0.00 0.10 0.00 0.00 66.02 64.17 1sme s SER 132 CO 0.62 -0.21 0.05 -0.63 0.98 0.00 0.00 173.24 174.05 1sme s ILE 133 N -2.14 4.46 0.00 -1.02 1.01 -1.26 -3.89 121.20 118.35 1sme s ILE 133 Ca 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.93 1sme s ILE 133 Cb -0.10 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.33 1sme s ILE 133 CO 0.32 0.41 0.00 0.61 0.00 0.00 0.00 174.94 176.28 1sme n GLY 134 N 4.16 0.78 3.70 6.18 0.00 -1.26 -4.50 105.19 114.25 1sme n GLY 134 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1sme n GLY 134 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sme n SER 135 N 0.00 -5.10 -4.88 1.61 3.41 -1.25 -4.95 113.62 102.45 1sme n SER 135 Ca 0.00 -0.72 -0.36 0.00 -0.26 0.00 0.00 58.87 57.53 1sme n SER 135 Cb 0.00 -1.76 -0.06 0.00 -0.26 0.00 0.00 64.21 62.13 1sme n SER 135 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1sme s VAL 136 N -2.58 5.42 0.24 -3.33 1.01 -1.26 -5.06 120.40 114.83 1sme s VAL 136 Ca 0.11 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 1sme s VAL 136 Cb -0.01 -3.48 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 1sme s VAL 136 CO 0.89 0.51 1.04 -1.81 0.00 0.00 0.00 175.10 175.73 1sme s ASP 137 N -1.34 7.41 0.31 3.32 1.01 -1.26 -4.59 116.67 121.53 1sme s ASP 137 Ca 0.20 2.10 -0.29 0.00 0.71 0.00 0.00 52.55 55.28 1sme s ASP 137 Cb -0.13 -2.61 -0.13 0.00 1.01 0.00 0.00 42.92 41.06 1sme s ASP 137 CO 0.10 -0.05 1.22 -2.65 0.21 0.00 0.00 175.17 174.00 1sme n PRO 138 N 1.63 1.87 -0.09 8.23 -0.02 -1.26 -4.70 135.00 140.66 1sme n PRO 138 Ca -0.00 0.66 -0.13 0.00 -2.02 0.00 0.00 63.50 62.01 1sme n PRO 138 Cb 0.46 -2.19 -0.08 0.00 -0.02 0.00 0.00 33.50 31.68 1sme n PRO 138 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1sme h ILE 139 N 2.47 0.05 -0.16 4.25 2.04 -1.92 0.60 117.51 124.84 1sme h ILE 139 Ca -0.44 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1sme h ILE 139 Cb 1.30 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1sme h ILE 139 CO 0.64 0.00 0.07 0.58 0.00 0.00 0.00 178.15 179.44 1sme h VAL 140 N -0.43 1.06 -0.20 1.67 2.07 -1.95 0.42 116.25 118.89 1sme h VAL 140 Ca 0.09 -0.18 -0.19 0.00 0.82 0.00 0.00 66.70 67.23 1sme h VAL 140 Cb 0.62 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1sme h VAL 140 CO -0.53 0.07 -0.64 0.58 0.02 0.00 0.00 177.57 177.06 1sme h VAL 141 N 0.22 1.29 -0.17 2.57 2.07 -1.38 -2.63 116.25 118.23 1sme h VAL 141 Ca 0.06 -1.87 -0.19 0.00 0.82 0.00 0.00 66.70 65.53 1sme h VAL 141 Cb 0.03 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1sme h VAL 141 CO -0.01 0.59 -0.65 -0.33 0.02 0.00 0.00 177.57 177.20 1sme h GLU 142 N 0.55 0.62 -0.59 1.57 4.39 0.17 -2.90 114.58 118.39 1sme h GLU 142 Ca -0.01 -0.45 0.01 0.00 0.34 0.00 0.00 59.36 59.25 1sme h GLU 142 Cb 1.25 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.94 1sme h GLU 142 CO 0.13 1.07 0.38 -0.07 -1.16 0.00 0.00 179.01 179.36 1sme h LEU 143 N 0.45 0.64 0.63 1.33 3.38 -0.22 -0.73 115.31 120.80 1sme h LEU 143 Ca -0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1sme h LEU 143 Cb 1.23 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1sme h LEU 143 CO 0.13 0.46 -0.44 0.50 0.09 0.00 0.00 178.44 179.18 1sme h LYS 144 N 0.77 -0.99 -0.98 1.13 3.11 -1.44 -1.86 116.57 116.30 1sme h LYS 144 Ca 0.23 0.07 0.15 0.00 -2.81 0.00 0.00 60.65 58.28 1sme h LYS 144 Cb -0.05 0.23 -0.15 0.00 -1.00 0.00 0.00 32.23 31.25 1sme h LYS 144 CO -0.07 -0.66 -0.40 0.09 -2.81 0.00 0.00 179.45 175.60 1sme n ASN 145 N -5.56 -0.67 -0.92 4.20 3.02 -0.96 0.12 115.26 114.48 1sme n ASN 145 Ca -0.13 1.71 0.00 0.00 -0.03 0.00 0.00 54.58 56.13 1sme n ASN 145 Cb 0.45 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1sme n ASN 145 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sme n GLN 146 N -5.42 0.64 -1.89 3.52 6.02 -0.32 -4.78 117.38 115.14 1sme n GLN 146 Ca 0.09 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.07 1sme n GLN 146 Cb 0.38 -1.20 -0.00 0.00 1.02 0.00 0.00 30.24 30.43 1sme n GLN 146 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1sme n ASN 147 N 0.60 -0.68 0.09 1.08 3.02 0.33 -4.67 115.26 115.02 1sme n ASN 147 Ca 0.00 0.26 0.05 0.00 -0.03 0.00 0.00 54.58 54.86 1sme n ASN 147 Cb 0.29 -0.67 -0.02 0.00 -0.61 0.00 0.00 39.78 38.78 1sme n ASN 147 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1sme h LYS 148 N -0.03 0.00 -3.76 3.52 1.57 -1.52 -3.46 116.57 112.89 1sme h LYS 148 Ca -0.02 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.53 1sme h LYS 148 Cb 0.66 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.70 1sme h LYS 148 CO 0.03 0.19 -0.72 0.96 -0.57 0.00 0.00 179.45 179.35 1sme s ILE 149 N -3.11 0.01 -0.06 1.86 -4.36 -1.25 -4.85 121.20 109.45 1sme s ILE 149 Ca -0.00 -0.11 -0.24 0.00 -0.26 0.00 0.00 60.65 60.03 1sme s ILE 149 Cb 0.09 -0.04 -0.19 0.00 1.25 0.00 0.00 42.46 43.56 1sme s ILE 149 CO 0.78 -0.06 0.96 1.05 0.24 0.00 0.00 174.94 177.91 1sme h GLU 150 N 5.96 -0.10 -5.12 0.37 4.11 -1.83 -3.38 114.58 114.59 1sme h GLU 150 Ca -0.25 0.01 -0.62 0.00 0.07 0.00 0.00 59.36 58.57 1sme h GLU 150 Cb 1.21 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 30.34 1sme h GLU 150 CO 0.50 0.46 -0.51 -0.80 0.07 0.00 0.00 179.01 178.72 1sme s ASN 151 N -5.69 6.04 -1.46 3.06 0.01 -1.25 -4.96 114.94 110.70 1sme s ASN 151 Ca -0.15 0.11 -0.13 0.00 -0.71 0.00 0.00 52.86 51.98 1sme s ASN 151 Cb 0.00 -2.08 -0.01 0.00 0.41 0.00 0.00 41.25 39.56 1sme s ASN 151 CO 0.57 0.09 2.44 0.00 -1.51 0.00 0.00 177.10 178.68 1sme n ALA 152 N 4.15 6.02 -2.55 0.60 0.00 -1.26 -4.03 120.51 123.44 1sme n ALA 152 Ca -0.15 -3.68 -0.09 0.00 0.00 0.00 0.00 53.44 49.52 1sme n ALA 152 Cb 0.52 -3.48 -0.10 0.00 0.00 0.00 0.00 19.45 16.39 1sme n ALA 152 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1sme s LEU 153 N 1.45 2.05 -0.01 0.00 0.05 -1.26 -1.12 118.68 119.84 1sme s LEU 153 Ca 0.54 -0.68 0.03 0.00 0.05 0.00 0.00 54.13 54.07 1sme s LEU 153 Cb 0.15 0.44 -0.01 0.00 -2.05 0.00 0.00 46.19 44.72 1sme s LEU 153 CO -0.07 -0.53 -0.10 0.72 -0.55 0.00 0.00 176.35 175.82 1sme s PHE 154 N -2.96 0.92 0.22 3.48 -0.12 -0.71 -0.07 117.98 118.74 1sme s PHE 154 Ca -0.02 -0.18 0.02 0.00 -0.05 0.00 0.00 56.93 56.70 1sme s PHE 154 Cb 0.01 -0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 41.77 1sme s PHE 154 CO -0.06 -0.02 0.37 0.99 -0.05 0.00 0.00 175.22 176.46 1sme s THR 155 N -0.26 5.24 -0.04 -4.49 2.01 -0.16 -1.44 115.64 116.50 1sme s THR 155 Ca 0.04 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 1sme s THR 155 Cb -0.04 -3.79 0.03 0.00 0.01 0.00 0.00 72.50 68.72 1sme s THR 155 CO -0.00 -0.24 0.06 -0.36 -0.69 0.00 0.00 174.62 173.39 1sme s PHE 156 N -1.92 0.02 -0.30 4.92 0.08 -0.81 -2.97 117.98 116.99 1sme s PHE 156 Ca 0.36 0.25 0.00 0.00 0.12 0.00 0.00 56.93 57.66 1sme s PHE 156 Cb -0.10 -0.34 0.09 0.00 -0.57 0.00 0.00 43.02 42.10 1sme s PHE 156 CO 0.30 -0.16 0.07 -0.47 -0.10 0.00 0.00 175.22 174.87 1sme s TYR 157 N 1.69 2.10 0.32 0.36 5.04 -0.16 -3.14 117.35 123.55 1sme s TYR 157 Ca -0.02 -1.92 -0.29 0.00 -2.44 0.00 0.00 57.07 52.41 1sme s TYR 157 Cb -0.12 -1.89 -0.10 0.00 0.35 0.00 0.00 41.96 40.19 1sme s TYR 157 CO -0.03 -0.87 1.32 -0.51 -1.34 0.00 0.00 175.55 174.12 1sme s LEU 158 N 1.48 4.42 0.47 6.97 1.43 -1.26 -1.03 118.68 131.16 1sme s LEU 158 Ca 0.08 2.69 -0.22 0.00 -1.03 0.00 0.00 54.13 55.66 1sme s LEU 158 Cb -0.18 -3.65 -0.08 0.00 0.03 0.00 0.00 46.19 42.32 1sme s LEU 158 CO -0.20 -0.55 1.07 -2.16 0.23 0.00 0.00 176.35 174.74 1sme s PRO 159 N -1.66 3.83 -0.54 1.29 0.04 -1.26 -4.56 135.00 132.15 1sme s PRO 159 Ca 0.50 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 63.02 1sme s PRO 159 Cb -0.40 -2.25 0.14 0.00 0.04 0.00 0.00 34.50 32.03 1sme s PRO 159 CO 0.52 -0.43 0.33 0.08 0.04 0.00 0.00 177.00 177.54 1sme s VAL 160 N -1.80 3.29 0.00 -0.36 1.01 0.15 -4.83 120.40 117.86 1sme s VAL 160 Ca 0.65 -2.80 0.00 0.00 0.00 0.00 0.00 61.98 59.83 1sme s VAL 160 Cb -0.21 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1sme s VAL 160 CO 0.25 -0.80 0.00 1.57 0.00 0.00 0.00 175.10 176.12 1sme n HIS 161 N 3.70 0.00 0.58 5.22 -0.00 -1.26 0.87 115.22 124.33 1sme n HIS 161 Ca 0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.23 1sme n HIS 161 Cb 0.38 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.25 1sme n HIS 161 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1sme n ASP 162 N 0.00 0.34 -0.01 0.26 8.00 -1.26 -3.63 116.55 120.24 1sme n ASP 162 Ca 0.00 -0.92 -0.02 0.00 0.71 0.00 0.00 54.79 54.56 1sme n ASP 162 Cb 0.00 -0.17 -0.01 0.00 -0.02 0.00 0.00 41.12 40.92 1sme n ASP 162 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1sme n LYS 163 N 0.06 0.13 -3.65 -1.24 4.81 0.25 -5.12 118.16 113.41 1sme n LYS 163 Ca 0.00 0.05 -0.11 0.00 -0.87 0.00 0.00 58.31 57.39 1sme n LYS 163 Cb 0.08 -0.61 -0.05 0.00 0.02 0.00 0.00 35.03 34.48 1sme n LYS 163 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 1sme s HIS 164 N -1.70 -0.19 0.77 5.64 -3.43 -0.99 -4.98 115.29 110.41 1sme s HIS 164 Ca -0.07 -0.10 -0.10 0.00 -0.80 0.00 0.00 55.06 53.99 1sme s HIS 164 Cb 0.01 0.24 0.17 0.00 -1.43 0.00 0.00 32.58 31.57 1sme s HIS 164 CO 0.11 -0.68 1.04 0.25 -2.00 0.00 0.00 174.74 173.46 1sme n THR 165 N -0.13 0.00 -4.54 -5.38 -2.24 -1.26 -0.67 114.28 100.06 1sme n THR 165 Ca -0.16 -0.98 -0.27 0.00 -2.27 0.00 0.00 64.05 60.37 1sme n THR 165 Cb 0.63 -1.40 -0.08 0.00 -2.10 0.00 0.00 70.33 67.39 1sme n THR 165 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1sme s GLY 166 N -5.23 2.71 0.00 3.38 0.00 -1.20 -4.32 107.32 102.65 1sme s GLY 166 Ca 0.62 -1.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.21 1sme s GLY 166 CO 0.43 -1.85 0.02 -1.36 0.00 0.00 0.00 173.10 170.33 1sme s PHE 167 N -3.17 0.10 -0.68 1.90 0.08 -0.20 -0.98 117.98 115.03 1sme s PHE 167 Ca 0.21 -0.19 -0.05 0.00 0.12 0.00 0.00 56.93 57.02 1sme s PHE 167 Cb 0.02 -0.08 0.18 0.00 -0.57 0.00 0.00 43.02 42.56 1sme s PHE 167 CO 0.14 -0.12 0.52 -1.17 -0.10 0.00 0.00 175.22 174.49 1sme s LEU 168 N -0.75 5.53 0.14 -0.37 2.96 -0.35 -0.99 118.68 124.85 1sme s LEU 168 Ca -0.08 -2.87 -0.30 0.00 -0.22 0.00 0.00 54.13 50.66 1sme s LEU 168 Cb -0.05 -1.92 -0.07 0.00 0.50 0.00 0.00 46.19 44.65 1sme s LEU 168 CO -0.00 -0.40 1.02 -0.89 -1.32 0.00 0.00 176.35 174.76 1sme s THR 169 N -0.09 4.21 -0.23 3.68 2.01 -1.16 -0.72 115.64 123.35 1sme s THR 169 Ca 0.18 1.88 0.02 0.00 0.31 0.00 0.00 61.69 64.08 1sme s THR 169 Cb -0.18 -4.20 0.05 0.00 0.01 0.00 0.00 72.50 68.17 1sme s THR 169 CO -0.05 0.31 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.42 1sme s ILE 170 N -0.15 2.14 0.00 1.82 1.01 -1.21 -0.99 121.20 123.81 1sme s ILE 170 Ca 0.48 -1.39 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1sme s ILE 170 Cb -0.26 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.08 1sme s ILE 170 CO 0.32 0.17 0.00 0.61 0.00 0.00 0.00 174.94 176.04 1sme n GLY 171 N 4.50 0.69 3.72 6.18 0.00 0.90 -0.63 105.19 120.55 1sme n GLY 171 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 1sme n GLY 171 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sme s GLY 172 N -1.32 -0.27 -0.26 -0.02 0.00 -1.26 -3.80 107.32 100.40 1sme s GLY 172 Ca 0.00 0.26 -0.06 0.00 0.00 0.00 0.00 44.72 44.93 1sme s GLY 172 CO 0.00 0.04 0.03 -0.42 0.00 0.00 0.00 173.10 172.75 1sme s ILE 173 N -3.14 3.81 -0.40 0.90 1.01 -1.26 -4.54 121.20 117.58 1sme s ILE 173 Ca 0.12 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 60.09 1sme s ILE 173 Cb -0.00 -2.85 0.01 0.00 0.01 0.00 0.00 42.46 39.63 1sme s ILE 173 CO 0.01 0.26 0.40 -1.61 0.00 0.00 0.00 174.94 174.00 1sme s GLU 174 N 1.51 3.22 0.60 2.79 2.02 -1.26 -4.93 118.70 122.65 1sme s GLU 174 Ca 0.04 -0.69 0.34 0.00 0.02 0.00 0.00 54.97 54.69 1sme s GLU 174 Cb -0.16 -3.92 1.88 0.00 0.10 0.00 0.00 34.13 32.03 1sme s GLU 174 CO 0.01 -0.75 2.05 0.93 0.02 0.00 0.00 175.26 177.52 1sme h GLU 175 N 8.64 0.00 -0.28 1.61 5.08 -1.98 -1.56 114.58 126.09 1sme h GLU 175 Ca -0.27 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.17 1sme h GLU 175 Cb 1.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1sme h GLU 175 CO 0.76 0.00 0.24 0.07 -1.00 0.00 0.00 179.01 179.08 1sme h ARG 176 N 0.00 0.00 0.05 2.33 0.11 -1.98 -2.79 114.38 112.11 1sme h ARG 176 Ca 0.00 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.80 1sme h ARG 176 Cb 0.28 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.33 1sme h ARG 176 CO 0.00 0.00 -1.46 0.74 0.10 0.00 0.00 179.97 179.35 1sme h PHE 177 N 0.00 0.21 -3.65 4.08 0.04 -1.67 -3.46 116.94 112.50 1sme h PHE 177 Ca 0.13 -0.15 -0.68 0.00 2.80 0.00 0.00 57.97 60.08 1sme h PHE 177 Cb 0.61 -0.01 -0.20 0.00 2.20 0.00 0.00 35.95 38.55 1sme h PHE 177 CO 0.00 1.19 -0.83 1.52 -0.60 0.00 0.00 178.31 179.59 1sme s TYR 178 N -2.63 2.39 -0.04 -0.55 1.13 -1.05 0.65 117.35 117.24 1sme s TYR 178 Ca -0.06 -0.34 -0.01 0.00 -1.41 0.00 0.00 57.07 55.26 1sme s TYR 178 Cb 0.08 -1.25 -0.04 0.00 -1.10 0.00 0.00 41.96 39.65 1sme s TYR 178 CO 0.83 0.40 0.03 -2.00 -2.51 0.00 0.00 175.55 172.30 1sme s GLU 179 N -2.27 2.95 0.11 -3.49 2.12 0.18 -4.83 118.70 113.48 1sme s GLU 179 Ca 0.17 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.02 1sme s GLU 179 Cb -0.10 -2.78 0.00 0.00 0.26 0.00 0.00 34.13 31.51 1sme s GLU 179 CO 0.08 0.67 0.00 0.41 -0.54 0.00 0.00 175.26 175.88 1sme n GLY 180 N 1.66 -1.69 3.79 -1.50 0.00 -1.26 -2.84 105.19 103.34 1sme n GLY 180 Ca -0.16 -1.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 1sme n GLY 180 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sme s PRO 181 N -1.70 3.50 0.25 1.61 0.04 -1.26 -4.81 135.00 132.62 1sme s PRO 181 Ca 0.00 1.40 -0.13 0.00 0.04 0.00 0.00 61.00 62.31 1sme s PRO 181 Cb 0.00 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 1sme s PRO 181 CO 0.00 -0.69 0.63 -0.51 0.04 0.00 0.00 177.00 176.47 1sme s LEU 182 N -3.89 4.18 -0.05 -3.56 1.43 -1.26 -4.60 118.68 110.92 1sme s LEU 182 Ca 0.68 1.11 0.03 0.00 -1.03 0.00 0.00 54.13 54.92 1sme s LEU 182 Cb -0.19 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.30 1sme s LEU 182 CO 0.27 -0.08 -0.14 -0.89 0.23 0.00 0.00 176.35 175.74 1sme s THR 183 N -1.79 1.20 -0.12 5.49 2.01 -0.36 -4.94 115.64 117.13 1sme s THR 183 Ca 0.48 -0.56 -0.07 0.00 0.31 0.00 0.00 61.69 61.85 1sme s THR 183 Cb -0.12 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 1sme s THR 183 CO 0.20 0.36 0.12 -0.31 -0.69 0.00 0.00 174.62 174.30 1sme s TYR 184 N 0.31 3.55 -0.27 4.92 1.51 -1.26 -0.22 117.35 125.89 1sme s TYR 184 Ca -0.08 0.49 0.02 0.00 -1.01 0.00 0.00 57.07 56.49 1sme s TYR 184 Cb -0.13 -1.93 0.07 0.00 -0.11 0.00 0.00 41.96 39.86 1sme s TYR 184 CO 0.03 0.70 -0.05 -1.21 -1.11 0.00 0.00 175.55 173.90 1sme s GLU 185 N -0.98 1.79 0.40 -0.62 0.41 0.13 -4.97 118.70 114.88 1sme s GLU 185 Ca 0.15 -1.28 -0.27 0.00 -0.41 0.00 0.00 54.97 53.16 1sme s GLU 185 Cb -0.12 -2.78 -0.10 0.00 -1.78 0.00 0.00 34.13 29.36 1sme s GLU 185 CO 0.04 -0.66 1.42 0.15 -0.49 0.00 0.00 175.26 175.72 1sme s LYS 186 N 1.21 3.95 0.55 1.61 -0.14 -1.26 -1.66 119.74 123.99 1sme s LYS 186 Ca -0.03 2.43 -0.20 0.00 -1.36 0.00 0.00 55.97 56.80 1sme s LYS 186 Cb -0.19 -2.83 -0.05 0.00 -1.68 0.00 0.00 37.83 33.08 1sme s LYS 186 CO -0.07 -0.60 1.19 -0.51 -0.76 0.00 0.00 175.35 174.60 1sme s LEU 187 N -2.35 3.78 0.00 3.17 1.43 -0.72 -4.40 118.68 119.58 1sme s LEU 187 Ca 0.56 2.35 0.22 0.00 -1.03 0.00 0.00 54.13 56.23 1sme s LEU 187 Cb -0.44 -4.49 -0.11 0.00 0.03 0.00 0.00 46.19 41.18 1sme s LEU 187 CO 0.58 -1.35 1.00 -0.46 0.23 0.00 0.00 176.35 176.35 1sme n ASN 188 N -1.23 1.47 -3.55 2.29 6.94 -0.08 -4.96 115.26 116.14 1sme n ASN 188 Ca 0.11 -1.23 -0.15 0.00 -0.02 0.00 0.00 54.58 53.29 1sme n ASN 188 Cb 0.49 0.74 -0.06 0.00 -2.36 0.00 0.00 39.78 38.59 1sme n ASN 188 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1sme s HIS 189 N -2.76 -0.59 -1.14 -2.53 3.76 -1.25 -5.06 115.29 105.71 1sme s HIS 189 Ca 0.13 1.08 -0.05 0.00 -0.15 0.00 0.00 55.06 56.08 1sme s HIS 189 Cb 0.17 0.40 0.26 0.00 1.11 0.00 0.00 32.58 34.53 1sme s HIS 189 CO 0.73 -0.51 1.73 -0.25 -0.85 0.00 0.00 174.74 175.59 1sme n ASP 190 N 1.08 6.46 0.00 1.40 8.00 -1.26 -4.49 116.55 127.75 1sme n ASP 190 Ca -0.16 -3.37 0.00 0.00 0.71 0.00 0.00 54.79 51.97 1sme n ASP 190 Cb 0.57 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.36 1sme n ASP 190 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1sme n LEU 191 N 1.68 0.00 -5.03 0.64 7.94 -1.26 -4.26 117.00 116.71 1sme n LEU 191 Ca 0.37 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 55.06 1sme n LEU 191 Cb 0.32 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.35 1sme n LEU 191 CO 0.71 0.00 0.43 -0.31 -1.11 0.00 0.00 177.39 177.11 1sme s TYR 192 N 0.00 1.28 -1.29 1.96 1.51 -1.26 -1.29 117.35 118.25 1sme s TYR 192 Ca 0.00 -0.63 -0.13 0.00 -1.01 0.00 0.00 57.07 55.30 1sme s TYR 192 Cb 0.00 -2.45 0.13 0.00 -0.11 0.00 0.00 41.96 39.53 1sme s TYR 192 CO 0.00 -1.43 1.78 0.91 -1.11 0.00 0.00 175.55 175.70 1sme n TRP 193 N -2.48 3.95 -3.74 2.71 7.02 -1.26 -4.83 117.44 118.81 1sme n TRP 193 Ca 0.16 -3.01 -0.38 0.00 -1.02 0.00 0.00 57.50 53.26 1sme n TRP 193 Cb 0.61 -2.24 -0.12 0.00 -2.42 0.00 0.00 31.31 27.14 1sme n TRP 193 CO 0.00 0.00 0.00 1.14 -2.02 0.00 0.00 177.69 176.81 1sme s GLN 194 N 1.84 2.94 0.32 -0.99 -2.07 -1.26 -1.34 119.66 119.10 1sme s GLN 194 Ca 0.44 -0.96 0.08 0.00 -1.82 0.00 0.00 55.36 53.10 1sme s GLN 194 Cb 0.06 -3.43 -0.04 0.00 -1.09 0.00 0.00 33.01 28.51 1sme s GLN 194 CO -0.00 -0.53 0.18 0.96 -1.32 0.00 0.00 175.29 174.58 1sme s ILE 195 N 1.48 3.40 -0.16 3.63 -4.36 -0.51 -0.90 121.20 123.79 1sme s ILE 195 Ca 0.01 -1.58 -0.05 0.00 -0.26 0.00 0.00 60.65 58.77 1sme s ILE 195 Cb -0.18 -3.08 -0.03 0.00 1.25 0.00 0.00 42.46 40.42 1sme s ILE 195 CO 0.03 -0.22 0.02 -0.89 0.24 0.00 0.00 174.94 174.12 1sme s THR 196 N -2.34 4.39 0.16 8.37 2.01 -1.26 -0.72 115.64 126.25 1sme s THR 196 Ca 0.37 -0.18 -0.05 0.00 0.31 0.00 0.00 61.69 62.14 1sme s THR 196 Cb -0.05 -2.94 -0.02 0.00 0.01 0.00 0.00 72.50 69.50 1sme s THR 196 CO 0.24 0.49 0.19 -0.76 -0.69 0.00 0.00 174.62 174.09 1sme s LEU 197 N 0.21 1.24 -0.18 4.42 1.43 -0.62 -4.89 118.68 120.29 1sme s LEU 197 Ca 0.01 -1.07 -0.14 0.00 -1.03 0.00 0.00 54.13 51.90 1sme s LEU 197 Cb -0.13 0.79 -0.04 0.00 0.03 0.00 0.00 46.19 46.83 1sme s LEU 197 CO 0.01 -0.84 0.32 -1.81 0.23 0.00 0.00 176.35 174.27 1sme s ASP 198 N -3.03 6.42 -0.12 2.29 1.11 -0.90 -0.03 116.67 122.41 1sme s ASP 198 Ca 0.23 0.49 -0.12 0.00 0.18 0.00 0.00 52.55 53.33 1sme s ASP 198 Cb 0.05 -2.20 -0.05 0.00 1.07 0.00 0.00 42.92 41.80 1sme s ASP 198 CO 0.03 0.03 0.25 0.00 1.18 0.00 0.00 175.17 176.66 1sme s ALA 199 N 0.82 3.70 -0.16 5.23 0.00 -0.71 -2.30 121.76 128.33 1sme s ALA 199 Ca 0.17 -0.49 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 1sme s ALA 199 Cb -0.14 -2.25 0.08 0.00 0.00 0.00 0.00 23.12 20.81 1sme s ALA 199 CO 0.06 0.31 0.27 -1.58 0.00 0.00 0.00 175.76 174.81 1sme s HIS 200 N -0.24 -0.43 0.00 0.00 5.04 -1.00 -0.79 115.29 117.87 1sme s HIS 200 Ca 0.16 0.76 0.00 0.00 -1.54 0.00 0.00 55.06 54.44 1sme s HIS 200 Cb -0.13 -0.12 0.00 0.00 0.04 0.00 0.00 32.58 32.37 1sme s HIS 200 CO 0.05 -0.46 0.00 0.28 -2.34 0.00 0.00 174.74 172.27 1sme n VAL 201 N 5.34 0.00 0.00 0.89 0.31 -0.32 -1.84 118.33 122.72 1sme n VAL 201 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1sme n VAL 201 Cb 0.50 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 1sme n VAL 201 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sme n GLY 202 N 3.14 1.11 1.19 2.92 0.00 -1.26 -4.36 105.19 107.93 1sme n GLY 202 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1sme n GLY 202 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sme n ASN 203 N 0.00 3.30 -4.67 1.61 2.85 -1.26 -4.91 115.26 112.18 1sme n ASN 203 Ca 0.00 -3.42 -0.40 0.00 -0.11 0.00 0.00 54.58 50.65 1sme n ASN 203 Cb 0.00 -0.62 -0.05 0.00 1.24 0.00 0.00 39.78 40.34 1sme n ASN 203 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1sme s ILE 204 N -3.07 4.99 -0.02 -1.44 1.01 -1.26 -5.05 121.20 116.36 1sme s ILE 204 Ca 0.45 1.32 0.01 0.00 0.00 0.00 0.00 60.65 62.43 1sme s ILE 204 Cb 0.39 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.88 1sme s ILE 204 CO 0.05 0.10 -0.01 -0.32 0.00 0.00 0.00 174.94 174.76 1sme s MET 205 N 1.88 0.35 -0.57 2.79 1.75 -1.26 -1.17 119.30 123.07 1sme s MET 205 Ca 0.32 0.00 0.04 0.00 -1.25 0.00 0.00 55.69 54.80 1sme s MET 205 Cb -0.16 -0.46 0.14 0.00 2.84 0.00 0.00 34.83 37.19 1sme s MET 205 CO 0.11 -0.07 0.34 -1.17 -0.65 0.00 0.00 175.02 173.57 1sme s LEU 206 N 0.72 4.25 0.45 4.11 2.96 0.03 -4.99 118.68 126.21 1sme s LEU 206 Ca -0.07 -3.25 -0.24 0.00 -0.22 0.00 0.00 54.13 50.35 1sme s LEU 206 Cb -0.11 -1.55 -0.07 0.00 0.50 0.00 0.00 46.19 44.96 1sme s LEU 206 CO -0.01 -0.19 1.22 -1.83 -1.32 0.00 0.00 176.35 174.22 1sme s GLU 207 N -0.60 3.76 -1.50 1.98 -1.05 -1.26 -1.74 118.70 118.28 1sme s GLU 207 Ca 0.20 1.92 -0.00 0.00 -0.15 0.00 0.00 54.97 56.94 1sme s GLU 207 Cb -0.18 -2.50 0.00 0.00 -0.44 0.00 0.00 34.13 31.01 1sme s GLU 207 CO -0.06 -0.60 0.01 1.63 0.95 0.00 0.00 175.26 177.19 1sme n LYS 208 N -0.36 -1.45 -1.83 -4.83 5.02 -1.10 -4.89 118.16 108.73 1sme n LYS 208 Ca 0.07 0.85 -0.33 0.00 -2.02 0.00 0.00 58.31 56.87 1sme n LYS 208 Cb 0.46 -5.32 0.04 0.00 -0.02 0.00 0.00 35.03 30.19 1sme n LYS 208 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sme s ALA 209 N -2.88 2.50 0.07 7.82 0.00 0.96 -4.67 121.76 125.56 1sme s ALA 209 Ca 0.00 0.59 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 1sme s ALA 209 Cb -0.00 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 1sme s ALA 209 CO 0.01 -1.20 0.94 1.21 0.00 0.00 0.00 175.76 176.71 1sme s ASN 210 N -2.47 7.42 -0.26 0.00 2.47 -0.59 -1.59 114.94 119.92 1sme s ASN 210 Ca 0.68 1.70 0.02 0.00 0.42 0.00 0.00 52.86 55.68 1sme s ASN 210 Cb -0.21 -2.56 0.07 0.00 -1.45 0.00 0.00 41.25 37.09 1sme s ASN 210 CO 0.39 -0.11 -0.05 0.00 -3.72 0.00 0.00 177.10 173.62 1sme s ILE 212 N 1.26 5.14 -0.83 0.00 1.01 -0.72 -1.42 121.20 125.65 1sme s ILE 212 Ca -0.04 -0.41 -0.26 0.00 0.00 0.00 0.00 60.65 59.95 1sme s ILE 212 Cb -0.19 -3.99 0.03 0.00 0.01 0.00 0.00 42.46 38.32 1sme s ILE 212 CO -0.07 -0.37 1.41 -0.69 0.00 0.00 0.00 174.94 175.22 1sme s VAL 213 N 2.00 3.75 -0.19 2.92 1.01 -0.45 -1.00 120.40 128.43 1sme s VAL 213 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 1sme s VAL 213 Cb -0.18 -4.85 0.00 0.00 0.00 0.00 0.00 36.38 31.36 1sme s VAL 213 CO 0.12 -1.77 -0.12 -0.62 0.00 0.00 0.00 175.10 172.71 1sme s ASP 214 N 4.68 3.78 0.34 3.32 -1.08 -0.60 -4.60 116.67 122.51 1sme s ASP 214 Ca 0.43 -0.48 0.22 0.00 -0.52 0.00 0.00 52.55 52.19 1sme s ASP 214 Cb -0.06 -1.61 0.20 0.00 -1.46 0.00 0.00 42.92 39.99 1sme s ASP 214 CO 0.06 0.02 1.41 0.77 0.52 0.00 0.00 175.17 177.96 1sme h SER 215 N 7.78 0.00 0.66 -0.34 4.64 -1.86 -3.29 113.55 121.14 1sme h SER 215 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1sme h SER 215 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1sme h SER 215 CO 0.60 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 1sme n GLY 216 N 1.15 -1.33 3.63 -0.77 0.00 -1.26 -4.53 105.19 102.08 1sme n GLY 216 Ca 0.02 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1sme n GLY 216 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sme s THR 217 N -2.67 5.31 -0.04 2.61 2.01 -1.25 -4.98 115.64 116.63 1sme s THR 217 Ca 0.25 0.16 0.29 0.00 0.31 0.00 0.00 61.69 62.71 1sme s THR 217 Cb 0.20 -3.49 0.35 0.00 0.01 0.00 0.00 72.50 69.57 1sme s THR 217 CO 0.47 0.32 1.85 0.77 -0.69 0.00 0.00 174.62 177.34 1sme h SER 218 N 7.77 0.00 -0.36 3.53 4.64 -1.90 0.64 113.55 127.87 1sme h SER 218 Ca -0.37 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.32 1sme h SER 218 Cb 1.18 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.18 1sme h SER 218 CO 0.62 0.04 -0.38 0.00 -0.87 0.00 0.00 176.83 176.25 1sme s ALA 219 N -3.53 4.39 -0.36 5.18 0.00 -1.26 -4.28 121.76 121.89 1sme s ALA 219 Ca 0.03 -0.77 -0.11 0.00 0.00 0.00 0.00 51.96 51.11 1sme s ALA 219 Cb 0.08 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.78 1sme s ALA 219 CO 0.59 -0.29 0.20 0.42 0.00 0.00 0.00 175.76 176.69 1sme s ILE 220 N -2.84 4.63 0.45 0.00 -1.09 -1.09 -2.81 121.20 118.45 1sme s ILE 220 Ca 0.21 -0.75 -0.19 0.00 -2.23 0.00 0.00 60.65 57.69 1sme s ILE 220 Cb -0.01 -3.54 -0.10 0.00 -1.58 0.00 0.00 42.46 37.23 1sme s ILE 220 CO 0.13 -0.18 0.94 -0.89 -1.23 0.00 0.00 174.94 173.72 1sme s THR 221 N 1.58 4.47 -0.07 2.92 2.01 -0.54 -2.45 115.64 123.56 1sme s THR 221 Ca 0.03 1.34 -0.08 0.00 0.31 0.00 0.00 61.69 63.29 1sme s THR 221 Cb -0.19 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 68.70 1sme s THR 221 CO 0.07 -0.45 0.21 -0.69 -0.69 0.00 0.00 174.62 173.07 1sme s VAL 222 N -2.33 0.01 0.19 3.82 1.01 0.16 -2.28 120.40 120.99 1sme s VAL 222 Ca 0.60 -0.10 -0.32 0.00 0.00 0.00 0.00 61.98 62.17 1sme s VAL 222 Cb -0.09 -0.33 -0.12 0.00 0.00 0.00 0.00 36.38 35.83 1sme s VAL 222 CO 0.20 -0.05 1.74 -0.81 0.00 0.00 0.00 175.10 176.18 1sme n PRO 223 N 2.73 2.74 -0.33 2.72 -0.04 -1.23 -0.21 135.00 141.37 1sme n PRO 223 Ca -0.14 0.99 0.09 0.00 -0.04 0.00 0.00 63.50 64.40 1sme n PRO 223 Cb 0.58 -2.84 0.19 0.00 -0.04 0.00 0.00 33.50 31.39 1sme n PRO 223 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1sme n THR 224 N 4.08 -0.39 -0.36 0.52 -1.04 -1.26 -0.23 114.28 115.60 1sme n THR 224 Ca 0.16 2.09 -0.02 0.00 -2.04 0.00 0.00 64.05 64.24 1sme n THR 224 Cb 0.35 -2.96 0.11 0.00 -1.82 0.00 0.00 70.33 66.01 1sme n THR 224 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1sme h ASP 225 N 0.00 1.13 -0.09 8.00 3.58 -1.97 0.23 116.42 127.30 1sme h ASP 225 Ca 0.49 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.89 1sme h ASP 225 Cb 0.88 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.64 1sme h ASP 225 CO -0.92 0.85 0.05 0.15 -2.88 0.00 0.00 179.24 176.49 1sme h PHE 226 N 1.32 0.12 -0.09 0.28 3.04 -0.96 0.14 116.94 120.79 1sme h PHE 226 Ca 0.35 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.32 1sme h PHE 226 Cb -0.10 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.34 1sme h PHE 226 CO 0.00 0.15 -0.10 1.25 -2.02 0.00 0.00 178.31 177.60 1sme h LEU 227 N 0.06 -0.30 -1.54 0.59 5.85 -0.54 0.21 115.31 119.65 1sme h LEU 227 Ca 0.03 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1sme h LEU 227 Cb 0.07 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1sme h LEU 227 CO -0.01 -0.13 0.30 0.78 -0.34 0.00 0.00 178.44 179.04 1sme h ASN 228 N -0.13 0.53 0.64 1.25 2.35 -0.74 -1.82 115.58 117.68 1sme h ASN 228 Ca 0.07 -0.02 -0.27 0.00 -0.55 0.00 0.00 56.30 55.53 1sme h ASN 228 Cb 0.22 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1sme h ASN 228 CO -0.16 0.39 -1.26 0.11 -1.65 0.00 0.00 177.43 174.86 1sme h LYS 229 N 0.63 0.25 -0.17 0.81 1.57 -0.13 -3.35 116.57 116.17 1sme h LYS 229 Ca 0.17 -0.42 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1sme h LYS 229 Cb -0.06 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1sme h LYS 229 CO -0.04 1.19 0.09 1.98 -0.57 0.00 0.00 179.45 182.10 1sme h MET 230 N 0.07 0.23 -0.95 3.15 4.05 -0.15 -3.10 114.93 118.22 1sme h MET 230 Ca -0.14 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.25 1sme h MET 230 Cb 1.96 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 32.71 1sme h MET 230 CO 0.19 0.24 0.01 1.28 0.23 0.00 0.00 176.91 178.87 1sme n LEU 231 N -4.91 1.88 -0.07 3.39 4.77 -0.72 -4.39 117.00 116.94 1sme n LEU 231 Ca -0.04 -0.95 -0.14 0.00 -0.03 0.00 0.00 56.01 54.84 1sme n LEU 231 Cb 0.08 -0.53 -0.12 0.00 -2.33 0.00 0.00 43.42 40.52 1sme n LEU 231 CO 0.34 0.34 0.26 1.56 -1.33 0.00 0.00 177.39 178.56 1sme h GLN 232 N 0.48 0.00 0.00 3.23 1.08 -1.68 -3.39 115.11 114.83 1sme h GLN 232 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1sme h GLN 232 Cb 0.77 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1sme h GLN 232 CO 0.08 0.96 -0.90 -1.71 -0.95 0.00 0.00 178.83 176.30 1sme n ASN 233 N -4.59 0.63 -4.51 1.46 4.05 -1.26 -4.93 115.26 106.11 1sme n ASN 233 Ca -0.12 -0.17 -0.29 0.00 0.45 0.00 0.00 54.58 54.45 1sme n ASN 233 Cb 0.49 0.63 0.20 0.00 1.23 0.00 0.00 39.78 42.33 1sme n ASN 233 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1sme s LEU 234 N -3.88 1.26 -0.90 1.20 1.43 -1.26 -4.93 118.68 111.60 1sme s LEU 234 Ca 0.05 1.11 0.01 0.00 -1.03 0.00 0.00 54.13 54.27 1sme s LEU 234 Cb 0.14 -3.16 0.33 0.00 0.03 0.00 0.00 46.19 43.53 1sme s LEU 234 CO 0.78 -3.50 1.61 0.47 0.23 0.00 0.00 176.35 175.94 1sme n ASP 235 N -4.41 6.63 -4.78 2.29 8.00 -1.26 -4.98 116.55 118.05 1sme n ASP 235 Ca 0.06 -3.70 -0.36 0.00 0.71 0.00 0.00 54.79 51.50 1sme n ASP 235 Cb 0.57 -1.01 -0.07 0.00 -0.02 0.00 0.00 41.12 40.60 1sme n ASP 235 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1sme s VAL 236 N -4.42 5.37 -0.34 2.53 1.01 -1.26 -4.72 120.40 118.57 1sme s VAL 236 Ca 0.42 0.37 -0.08 0.00 0.00 0.00 0.00 61.98 62.69 1sme s VAL 236 Cb 0.22 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 33.12 1sme s VAL 236 CO -0.14 0.49 0.13 -0.63 0.00 0.00 0.00 175.10 174.94 1sme s ILE 237 N -0.15 4.02 -0.24 2.22 1.01 -0.54 -4.94 121.20 122.58 1sme s ILE 237 Ca 0.14 -1.00 -0.16 0.00 0.00 0.00 0.00 60.65 59.63 1sme s ILE 237 Cb -0.12 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 1sme s ILE 237 CO 0.03 -0.16 0.42 -0.75 0.00 0.00 0.00 174.94 174.48 1sme s LYS 238 N 1.45 4.10 0.24 2.79 2.20 -1.26 -0.70 119.74 128.56 1sme s LYS 238 Ca -0.00 0.18 -0.30 0.00 -0.36 0.00 0.00 55.97 55.49 1sme s LYS 238 Cb -0.19 -3.60 -0.10 0.00 -1.51 0.00 0.00 37.83 32.43 1sme s LYS 238 CO 0.04 -0.19 1.37 0.08 -0.36 0.00 0.00 175.35 176.29 1sme s VAL 239 N 1.80 2.89 -0.08 4.02 1.01 -0.84 -4.87 120.40 124.33 1sme s VAL 239 Ca 0.18 0.75 -0.37 0.00 0.00 0.00 0.00 61.98 62.54 1sme s VAL 239 Cb -0.15 -3.48 -0.15 0.00 0.00 0.00 0.00 36.38 32.60 1sme s VAL 239 CO 0.09 0.12 1.65 -2.65 0.00 0.00 0.00 175.10 174.31 1sme n PRO 240 N 2.30 1.53 -0.52 2.72 -0.02 -1.26 -1.43 135.00 138.32 1sme n PRO 240 Ca 0.06 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1sme n PRO 240 Cb 0.41 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1sme n PRO 240 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1sme n PHE 241 N 4.69 0.00 -4.68 6.00 3.72 -1.26 -4.99 117.46 120.94 1sme n PHE 241 Ca 0.22 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.29 1sme n PHE 241 Cb 0.21 -0.50 -0.12 0.00 -0.94 0.00 0.00 39.48 38.13 1sme n PHE 241 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1sme s LEU 242 N 0.00 3.04 -1.39 4.37 1.43 -0.51 -5.00 118.68 120.62 1sme s LEU 242 Ca 0.00 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.88 1sme s LEU 242 Cb 0.00 -1.67 0.09 0.00 0.03 0.00 0.00 46.19 44.64 1sme s LEU 242 CO 0.00 0.35 2.09 -0.81 0.23 0.00 0.00 176.35 178.21 1sme n PRO 243 N 2.14 3.13 -3.71 1.29 -0.04 -1.26 -4.22 135.00 132.34 1sme n PRO 243 Ca -0.17 -2.95 -0.30 0.00 -0.04 0.00 0.00 63.50 60.04 1sme n PRO 243 Cb 0.53 -3.16 -0.14 0.00 -0.04 0.00 0.00 33.50 30.68 1sme n PRO 243 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1sme s PHE 244 N 2.20 1.74 -0.61 0.54 5.36 -1.26 -5.04 117.98 120.90 1sme s PHE 244 Ca 0.44 -1.96 -0.11 0.00 -0.96 0.00 0.00 56.93 54.35 1sme s PHE 244 Cb 0.12 -1.72 0.16 0.00 -0.34 0.00 0.00 43.02 41.24 1sme s PHE 244 CO -0.05 -0.85 0.51 0.71 -1.46 0.00 0.00 175.22 174.08 1sme s TYR 245 N 1.17 3.48 -0.03 10.12 2.02 -1.26 -1.99 117.35 130.87 1sme s TYR 245 Ca 0.13 -1.92 -0.24 0.00 -0.37 0.00 0.00 57.07 54.67 1sme s TYR 245 Cb -0.20 -3.60 -0.04 0.00 -0.40 0.00 0.00 41.96 37.71 1sme s TYR 245 CO -0.15 -0.97 0.72 0.08 -1.57 0.00 0.00 175.55 173.66 1sme s VAL 246 N 0.85 4.94 0.22 0.71 1.01 0.12 -1.81 120.40 126.43 1sme s VAL 246 Ca 0.10 1.50 0.04 0.00 0.00 0.00 0.00 61.98 63.62 1sme s VAL 246 Cb -0.22 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 1sme s VAL 246 CO -0.03 0.30 -0.02 0.42 0.00 0.00 0.00 175.10 175.77 1sme s THR 247 N 0.46 1.04 0.05 3.92 -4.23 0.21 -1.46 115.64 115.61 1sme s THR 247 Ca 0.38 -2.04 -0.25 0.00 -1.18 0.00 0.00 61.69 58.60 1sme s THR 247 Cb -0.19 -2.27 -0.06 0.00 1.34 0.00 0.00 72.50 71.33 1sme s THR 247 CO 0.20 -0.39 0.76 -0.22 -0.54 0.00 0.00 174.62 174.43 1sme s LEU 248 N -3.28 4.46 0.29 4.79 2.96 -1.26 0.95 118.68 127.58 1sme s LEU 248 Ca 0.27 1.44 0.22 0.00 -0.22 0.00 0.00 54.13 55.84 1sme s LEU 248 Cb 0.05 -3.22 1.07 0.00 0.50 0.00 0.00 46.19 44.59 1sme s LEU 248 CO 0.07 0.03 1.68 0.00 -1.32 0.00 0.00 176.35 176.82 1sme n ASN 250 N -2.25 2.77 -4.51 0.00 3.02 -1.26 -4.96 115.26 108.07 1sme n ASN 250 Ca 0.00 -1.89 -0.54 0.00 -0.03 0.00 0.00 54.58 52.13 1sme n ASN 250 Cb 0.13 -0.17 -0.08 0.00 -0.61 0.00 0.00 39.78 39.06 1sme n ASN 250 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1sme n ASN 251 N 1.06 2.11 0.00 6.41 4.05 -0.87 -4.80 115.26 123.22 1sme n ASN 251 Ca 0.18 0.66 0.09 0.00 0.45 0.00 0.00 54.58 55.96 1sme n ASN 251 Cb 0.51 -1.19 0.42 0.00 1.23 0.00 0.00 39.78 40.75 1sme n ASN 251 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1sme n SER 252 N 8.16 0.00 -0.09 1.20 3.41 -1.26 -2.88 113.62 122.16 1sme n SER 252 Ca 0.38 0.33 0.12 0.00 -0.26 0.00 0.00 58.87 59.43 1sme n SER 252 Cb 0.17 -0.42 0.23 0.00 -0.26 0.00 0.00 64.21 63.93 1sme n SER 252 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1sme n LYS 253 N -1.42 0.29 -1.70 4.33 5.02 -1.26 -4.92 118.16 118.49 1sme n LYS 253 Ca 0.06 -0.18 -0.42 0.00 -2.02 0.00 0.00 58.31 55.75 1sme n LYS 253 Cb 0.19 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 1sme n LYS 253 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sme s LEU 254 N -2.84 4.42 0.92 -0.35 1.43 -1.14 -4.86 118.68 116.26 1sme s LEU 254 Ca 0.15 2.67 -0.12 0.00 -1.03 0.00 0.00 54.13 55.80 1sme s LEU 254 Cb 0.18 -3.54 0.14 0.00 0.03 0.00 0.00 46.19 43.00 1sme s LEU 254 CO 0.66 -1.03 1.09 -2.16 0.23 0.00 0.00 176.35 175.14 1sme s PRO 255 N 4.00 1.03 -0.27 1.29 0.04 -1.26 -4.82 135.00 135.01 1sme s PRO 255 Ca 0.86 0.83 0.03 0.00 0.04 0.00 0.00 61.00 62.76 1sme s PRO 255 Cb -0.43 -1.78 0.06 0.00 0.04 0.00 0.00 34.50 32.39 1sme s PRO 255 CO 0.40 -2.40 -0.09 0.99 0.04 0.00 0.00 177.00 175.94 1sme s THR 256 N -2.89 2.17 0.59 1.26 2.01 -1.26 -4.04 115.64 113.48 1sme s THR 256 Ca 0.64 -1.70 -0.19 0.00 0.31 0.00 0.00 61.69 60.75 1sme s THR 256 Cb -0.19 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 1sme s THR 256 CO 0.58 -0.09 1.08 0.49 -0.69 0.00 0.00 174.62 175.99 1sme n PHE 257 N 4.42 1.25 -3.28 4.92 3.01 -0.92 -4.68 117.46 122.19 1sme n PHE 257 Ca -0.12 0.44 -0.07 0.00 1.01 0.00 0.00 57.45 58.71 1sme n PHE 257 Cb 0.42 -2.20 -0.05 0.00 -0.01 0.00 0.00 39.48 37.64 1sme n PHE 257 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1sme s GLU 258 N -2.84 0.52 -0.02 -1.08 2.12 -0.76 -1.37 118.70 115.27 1sme s GLU 258 Ca 0.76 -0.01 -0.10 0.00 0.36 0.00 0.00 54.97 55.98 1sme s GLU 258 Cb -0.42 -0.24 -0.05 0.00 0.26 0.00 0.00 34.13 33.69 1sme s GLU 258 CO 0.47 -1.08 0.30 -0.06 -0.54 0.00 0.00 175.26 174.34 1sme s PHE 259 N 2.33 3.63 0.02 5.30 0.40 0.94 -2.37 117.98 128.23 1sme s PHE 259 Ca 0.12 0.73 -0.13 0.00 -0.60 0.00 0.00 56.93 57.05 1sme s PHE 259 Cb -0.11 -2.10 0.02 0.00 0.51 0.00 0.00 43.02 41.33 1sme s PHE 259 CO -0.23 0.64 0.27 0.95 0.70 0.00 0.00 175.22 177.56 1sme s THR 260 N -1.18 0.08 0.00 0.64 -4.23 -0.97 0.15 115.64 110.13 1sme s THR 260 Ca 0.24 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 1sme s THR 260 Cb -0.14 -0.80 0.00 0.00 1.34 0.00 0.00 72.50 72.90 1sme s THR 260 CO 0.12 -0.36 0.00 -1.54 -0.54 0.00 0.00 174.62 172.30 1sme n SER 261 N 0.87 1.41 -0.98 3.99 3.41 -0.13 -2.11 113.62 120.07 1sme n SER 261 Ca -0.20 -0.18 0.12 0.00 -0.26 0.00 0.00 58.87 58.35 1sme n SER 261 Cb 0.58 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.76 1sme n SER 261 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sme n GLU 262 N 0.00 2.31 -0.11 4.33 1.02 -1.26 -4.17 120.64 122.75 1sme n GLU 262 Ca 0.00 -1.95 -0.16 0.00 -0.02 0.00 0.00 57.16 55.03 1sme n GLU 262 Cb 0.00 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 29.84 1sme n GLU 262 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sme n ASN 263 N 1.22 2.21 -3.28 1.62 4.13 -1.26 -5.07 115.26 114.82 1sme n ASN 263 Ca 0.17 -0.09 -0.11 0.00 1.68 0.00 0.00 54.58 56.24 1sme n ASN 263 Cb 0.55 -0.38 -0.02 0.00 -1.54 0.00 0.00 39.78 38.39 1sme n ASN 263 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1sme s GLY 264 N -6.13 0.78 -0.10 7.41 0.00 -1.26 -5.03 107.32 102.99 1sme s GLY 264 Ca -0.31 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 43.38 1sme s GLY 264 CO 0.51 -0.60 -0.04 1.25 0.00 0.00 0.00 173.10 174.22 1sme s LYS 265 N -2.97 1.15 -0.13 2.90 2.20 -1.26 -0.96 119.74 120.67 1sme s LYS 265 Ca 0.22 -0.12 -0.01 0.00 -0.36 0.00 0.00 55.97 55.70 1sme s LYS 265 Cb -0.03 -1.37 -0.02 0.00 -1.51 0.00 0.00 37.83 34.91 1sme s LYS 265 CO 0.14 -0.29 -0.12 0.71 -0.36 0.00 0.00 175.35 175.43 1sme s TYR 266 N 1.81 2.85 0.08 4.03 2.02 0.12 -5.00 117.35 123.27 1sme s TYR 266 Ca 0.05 -0.58 0.06 0.00 -0.37 0.00 0.00 57.07 56.23 1sme s TYR 266 Cb -0.13 -1.86 -0.03 0.00 -0.40 0.00 0.00 41.96 39.54 1sme s TYR 266 CO -0.07 -0.18 -0.16 0.95 -1.57 0.00 0.00 175.55 174.52 1sme s THR 267 N 0.33 1.30 -0.30 -0.71 -4.23 -1.26 -0.04 115.64 110.73 1sme s THR 267 Ca -0.10 -1.40 -0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1sme s THR 267 Cb -0.16 -1.24 0.09 0.00 1.34 0.00 0.00 72.50 72.53 1sme s THR 267 CO 0.05 -0.19 0.08 -0.22 -0.54 0.00 0.00 174.62 173.80 1sme s LEU 268 N -1.84 2.47 0.63 4.79 2.96 -0.47 -4.98 118.68 122.23 1sme s LEU 268 Ca 0.01 -1.61 -0.13 0.00 -0.22 0.00 0.00 54.13 52.18 1sme s LEU 268 Cb -0.10 -0.95 -0.03 0.00 0.50 0.00 0.00 46.19 45.62 1sme s LEU 268 CO 0.03 -0.39 1.04 -1.83 -1.32 0.00 0.00 176.35 173.88 1sme s GLU 269 N 1.54 3.31 0.35 1.98 1.03 -1.26 -2.16 118.70 123.49 1sme s GLU 269 Ca 0.08 0.98 0.23 0.00 0.03 0.00 0.00 54.97 56.29 1sme s GLU 269 Cb -0.18 -2.04 1.22 0.00 -0.80 0.00 0.00 34.13 32.34 1sme s GLU 269 CO -0.21 -0.80 1.36 -2.30 -1.33 0.00 0.00 175.26 171.98 1sme n PRO 270 N -2.54 -0.04 0.08 -4.83 -0.02 -1.26 0.76 135.00 127.15 1sme n PRO 270 Ca 0.07 1.14 0.19 0.00 -2.02 0.00 0.00 63.50 62.89 1sme n PRO 270 Cb 0.53 -2.14 0.73 0.00 -0.02 0.00 0.00 33.50 32.61 1sme n PRO 270 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1sme h GLU 271 N 0.00 0.00 0.00 -0.52 4.81 -1.92 0.66 114.58 117.61 1sme h GLU 271 Ca 0.75 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.98 1sme h GLU 271 Cb 2.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.56 1sme h GLU 271 CO -0.55 0.00 -1.76 0.66 -0.73 0.00 0.00 179.01 176.63 1sme n TYR 272 N -4.11 0.21 0.23 0.92 4.01 0.23 -4.44 117.16 114.21 1sme n TYR 272 Ca 0.07 0.06 0.07 0.00 -0.16 0.00 0.00 57.90 57.94 1sme n TYR 272 Cb 0.51 -0.59 -0.11 0.00 -0.31 0.00 0.00 39.34 38.84 1sme n TYR 272 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1sme n TYR 273 N -2.34 0.00 -2.61 -0.72 0.18 -0.92 -4.76 117.16 105.98 1sme n TYR 273 Ca -0.03 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.40 1sme n TYR 273 Cb 0.56 -0.23 -0.05 0.00 -0.38 0.00 0.00 39.34 39.25 1sme n TYR 273 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1sme s LEU 274 N -3.59 4.05 -0.14 -3.48 1.43 0.18 -3.70 118.68 113.43 1sme s LEU 274 Ca -0.02 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 1sme s LEU 274 Cb 0.10 -4.33 0.02 0.00 0.03 0.00 0.00 46.19 42.01 1sme s LEU 274 CO 0.62 -0.51 -0.12 -1.10 0.23 0.00 0.00 176.35 175.47 1sme s GLN 275 N -2.77 2.08 0.30 1.70 -0.21 0.78 -4.93 119.66 116.61 1sme s GLN 275 Ca 0.60 -0.48 -0.29 0.00 0.02 0.00 0.00 55.36 55.21 1sme s GLN 275 Cb -0.18 -1.97 -0.11 0.00 1.00 0.00 0.00 33.01 31.75 1sme s GLN 275 CO 0.23 -0.25 1.47 -1.01 -2.12 0.00 0.00 175.29 173.60 1sme s HIS 276 N 1.55 2.87 -0.33 0.91 3.76 -1.26 0.02 115.29 122.80 1sme s HIS 276 Ca 0.05 1.06 0.17 0.00 -0.15 0.00 0.00 55.06 56.19 1sme s HIS 276 Cb -0.13 -3.90 0.46 0.00 1.11 0.00 0.00 32.58 30.12 1sme s HIS 276 CO -0.10 -2.83 0.97 1.51 -0.85 0.00 0.00 174.74 173.45 1sme n ILE 277 N 1.67 1.15 0.22 0.60 0.13 -0.25 -4.86 119.36 118.01 1sme n ILE 277 Ca 0.05 -3.23 0.13 0.00 -1.10 0.00 0.00 62.75 58.59 1sme n ILE 277 Cb 0.40 0.50 0.74 0.00 -0.84 0.00 0.00 39.64 40.44 1sme n ILE 277 CO 0.00 0.00 0.00 -0.08 2.80 0.00 0.00 176.55 179.27 1sme h GLU 278 N 2.93 0.00 -0.54 9.51 4.57 -1.66 -1.33 114.58 128.07 1sme h GLU 278 Ca -0.06 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.03 1sme h GLU 278 Cb 1.16 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.73 1sme h GLU 278 CO 0.52 0.00 -0.03 -0.44 -1.18 0.00 0.00 179.01 177.88 1sme h ASP 279 N 0.00 0.92 0.10 1.04 5.19 -1.93 -3.11 116.42 118.62 1sme h ASP 279 Ca 0.05 -0.26 -0.00 0.00 -0.62 0.00 0.00 57.03 56.20 1sme h ASP 279 Cb 0.24 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1sme h ASP 279 CO -0.00 1.00 -0.05 0.58 -3.12 0.00 0.00 179.24 177.65 1sme h VAL 280 N 0.86 1.14 -2.54 -1.35 2.07 -1.69 -3.47 116.25 111.27 1sme h VAL 280 Ca 0.15 -1.18 -0.09 0.00 0.82 0.00 0.00 66.70 66.40 1sme h VAL 280 Cb 0.55 1.85 -0.22 0.00 -1.52 0.00 0.00 31.29 31.96 1sme h VAL 280 CO 0.03 0.27 -0.10 -0.83 0.02 0.00 0.00 177.57 176.96 1sme s GLY 281 N -3.25 -0.36 0.35 2.17 0.00 -0.76 -5.10 107.32 100.37 1sme s GLY 281 Ca -0.15 1.16 -0.28 0.00 0.00 0.00 0.00 44.72 45.45 1sme s GLY 281 CO 0.58 0.93 1.28 2.56 0.00 0.00 0.00 173.10 178.45 1sme s PRO 282 N -0.35 4.28 0.00 2.90 0.04 -1.24 -2.19 135.00 138.44 1sme s PRO 282 Ca -0.05 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1sme s PRO 282 Cb -0.03 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.52 1sme s PRO 282 CO 0.03 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1sme n GLY 283 N 0.79 0.47 3.88 0.56 0.00 -1.26 -4.99 105.19 104.63 1sme n GLY 283 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1sme n GLY 283 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sme s LEU 284 N 0.00 4.10 0.09 0.99 1.02 -0.93 -0.70 118.68 123.25 1sme s LEU 284 Ca 0.00 0.88 -0.10 0.00 0.02 0.00 0.00 54.13 54.92 1sme s LEU 284 Cb 0.00 -3.67 0.01 0.00 0.02 0.00 0.00 46.19 42.55 1sme s LEU 284 CO 0.00 -0.15 0.24 0.00 0.02 0.00 0.00 176.35 176.46 1sme s MET 286 N -3.74 1.19 0.40 0.00 0.23 0.10 0.63 119.30 118.11 1sme s MET 286 Ca 0.04 -1.21 0.08 0.00 -1.03 0.00 0.00 55.69 53.57 1sme s MET 286 Cb 0.04 -1.49 0.84 0.00 -1.53 0.00 0.00 34.83 32.69 1sme s MET 286 CO -0.11 0.34 1.99 -0.07 -2.03 0.00 0.00 175.02 175.15 1sme h LEU 287 N 3.99 0.33 -1.07 0.18 -0.00 -1.62 0.22 115.31 117.34 1sme h LEU 287 Ca -0.47 -0.04 -0.39 0.00 -0.00 0.00 0.00 57.88 56.99 1sme h LEU 287 Cb 1.18 -0.09 0.14 0.00 -0.00 0.00 0.00 40.66 41.89 1sme h LEU 287 CO 0.40 0.35 -0.71 -3.20 -0.00 0.00 0.00 178.44 175.28 1sme n ASN 288 N -4.38 -5.13 -4.05 -0.43 5.15 -1.24 -4.04 115.26 101.14 1sme n ASN 288 Ca 0.01 -0.58 -0.15 0.00 -0.60 0.00 0.00 54.58 53.26 1sme n ASN 288 Cb 0.16 -4.98 -0.12 0.00 -0.53 0.00 0.00 39.78 34.31 1sme n ASN 288 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1sme s ILE 289 N -3.34 0.59 0.01 -1.44 1.01 -1.26 -2.68 121.20 114.09 1sme s ILE 289 Ca 0.44 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1sme s ILE 289 Cb -0.19 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.66 1sme s ILE 289 CO 0.74 -0.20 -0.07 -0.63 0.00 0.00 0.00 174.94 174.78 1sme s ILE 290 N -0.98 0.50 -0.08 2.92 -1.09 -1.02 -4.95 121.20 116.49 1sme s ILE 290 Ca -0.05 -0.49 -0.25 0.00 -2.23 0.00 0.00 60.65 57.63 1sme s ILE 290 Cb -0.08 -0.46 -0.03 0.00 -1.58 0.00 0.00 42.46 40.31 1sme s ILE 290 CO 0.00 -0.01 0.79 -0.83 -1.23 0.00 0.00 174.94 173.67 1sme s GLY 291 N -0.55 2.54 -0.29 6.18 0.00 -1.26 -0.66 107.32 113.28 1sme s GLY 291 Ca -0.01 0.19 -0.06 0.00 0.00 0.00 0.00 44.72 44.84 1sme s GLY 291 CO 0.00 1.41 0.60 -2.27 0.00 0.00 0.00 173.10 172.84 1sme s LEU 292 N 1.20 -1.17 -0.38 0.66 2.96 0.70 -4.85 118.68 117.81 1sme s LEU 292 Ca 0.41 1.19 -0.15 0.00 -0.22 0.00 0.00 54.13 55.35 1sme s LEU 292 Cb -0.18 2.11 0.00 0.00 0.50 0.00 0.00 46.19 48.62 1sme s LEU 292 CO 0.19 -0.24 0.35 -1.81 -1.32 0.00 0.00 176.35 173.52 1sme s ASP 293 N 2.84 6.15 0.74 3.68 1.01 -1.26 -3.89 116.67 125.95 1sme s ASP 293 Ca 0.06 -0.50 -0.06 0.00 0.71 0.00 0.00 52.55 52.76 1sme s ASP 293 Cb -0.13 -2.19 0.10 0.00 1.01 0.00 0.00 42.92 41.71 1sme s ASP 293 CO -0.19 -0.41 1.04 -0.36 0.21 0.00 0.00 175.17 175.46 1sme s PHE 294 N 1.95 2.26 0.34 4.23 0.40 -1.26 -4.97 117.98 120.93 1sme s PHE 294 Ca 0.10 0.15 0.04 0.00 -0.60 0.00 0.00 56.93 56.61 1sme s PHE 294 Cb -0.17 -3.25 0.65 0.00 0.51 0.00 0.00 43.02 40.76 1sme s PHE 294 CO 0.12 -1.67 1.95 -1.35 0.70 0.00 0.00 175.22 174.97 1sme h PRO 295 N -0.69 0.84 -4.97 0.24 0.11 -2.00 -3.38 132.00 122.14 1sme h PRO 295 Ca -0.42 -0.05 -0.61 0.00 0.11 0.00 0.00 66.00 65.04 1sme h PRO 295 Cb 1.28 -0.19 -0.33 0.00 0.11 0.00 0.00 31.00 31.87 1sme h PRO 295 CO 0.49 0.56 -0.85 0.08 -0.21 0.00 0.00 178.00 178.07 1sme s VAL 296 N -5.76 1.65 -0.60 3.15 1.01 -1.26 -5.03 120.40 113.56 1sme s VAL 296 Ca -0.10 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.03 1sme s VAL 296 Cb 0.19 -1.46 -0.19 0.00 0.00 0.00 0.00 36.38 34.92 1sme s VAL 296 CO 0.78 0.47 1.34 -2.65 0.00 0.00 0.00 175.10 175.04 1sme n PRO 297 N 3.71 0.00 -4.38 2.72 -0.02 -1.26 -4.86 135.00 130.91 1sme n PRO 297 Ca -0.21 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 60.97 1sme n PRO 297 Cb 0.52 -0.64 -0.10 0.00 -0.02 0.00 0.00 33.50 33.26 1sme n PRO 297 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1sme s THR 298 N 0.77 3.37 0.10 3.45 2.01 -1.26 -1.54 115.64 122.55 1sme s THR 298 Ca 0.80 -1.09 0.08 0.00 0.31 0.00 0.00 61.69 61.79 1sme s THR 298 Cb -0.55 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 1sme s THR 298 CO 0.33 0.24 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.97 1sme s PHE 299 N -1.10 2.56 -0.22 4.92 0.40 0.34 -3.57 117.98 121.31 1sme s PHE 299 Ca 0.19 -0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.28 1sme s PHE 299 Cb -0.11 -1.37 0.05 0.00 0.51 0.00 0.00 43.02 42.09 1sme s PHE 299 CO 0.10 0.37 -0.11 0.42 0.70 0.00 0.00 175.22 176.70 1sme s ILE 300 N -1.11 1.85 -1.11 0.64 1.01 -0.96 -1.76 121.20 119.76 1sme s ILE 300 Ca 0.18 -1.23 -0.19 0.00 0.00 0.00 0.00 60.65 59.41 1sme s ILE 300 Cb -0.11 -1.92 0.10 0.00 0.01 0.00 0.00 42.46 40.54 1sme s ILE 300 CO 0.09 0.12 1.43 -0.76 0.00 0.00 0.00 174.94 175.83 1sme s LEU 301 N 1.29 4.35 0.00 2.97 1.43 -0.17 -1.47 118.68 127.08 1sme s LEU 301 Ca -0.03 -2.21 0.00 0.00 -1.03 0.00 0.00 54.13 50.86 1sme s LEU 301 Cb -0.17 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.56 1sme s LEU 301 CO -0.08 -1.13 0.00 0.61 0.23 0.00 0.00 176.35 175.98 1sme n GLY 302 N 5.51 0.11 0.31 -3.19 0.00 -1.12 -1.56 105.19 105.26 1sme n GLY 302 Ca 0.35 -1.63 0.12 0.00 0.00 0.00 0.00 46.02 44.86 1sme n GLY 302 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sme h ASP 303 N 0.00 -0.27 -0.78 1.61 3.32 -0.96 -0.39 116.42 118.96 1sme h ASP 303 Ca 0.00 0.23 0.10 0.00 0.02 0.00 0.00 57.03 57.38 1sme h ASP 303 Cb 0.00 0.37 -0.07 0.00 0.22 0.00 0.00 39.33 39.85 1sme h ASP 303 CO 0.00 -0.24 0.42 -0.65 -1.72 0.00 0.00 179.24 177.04 1sme h PRO 304 N 0.10 0.67 0.48 3.56 0.11 -1.85 0.58 132.00 135.65 1sme h PRO 304 Ca 0.54 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.58 1sme h PRO 304 Cb 1.07 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1sme h PRO 304 CO -0.76 0.44 -0.23 0.35 -0.21 0.00 0.00 178.00 177.59 1sme h PHE 305 N 0.69 -0.60 -0.21 0.65 3.57 -1.38 -2.98 116.94 116.68 1sme h PHE 305 Ca 0.38 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.93 1sme h PHE 305 Cb 0.39 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1sme h PHE 305 CO -0.08 -0.37 0.40 0.52 -2.23 0.00 0.00 178.31 176.55 1sme h MET 306 N -0.89 0.00 0.00 1.11 2.86 -1.30 0.24 114.93 116.95 1sme h MET 306 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1sme h MET 306 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1sme h MET 306 CO 0.11 0.00 0.00 -0.09 1.06 0.00 0.00 176.91 177.99 1sme h ARG 307 N 0.00 0.00 0.00 1.72 2.43 0.32 -3.24 114.38 115.60 1sme h ARG 307 Ca 0.10 0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 58.88 1sme h ARG 307 Cb 0.91 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.39 1sme h ARG 307 CO -0.00 0.00 -2.46 1.17 -1.51 0.00 0.00 179.97 177.16 1sme n LYS 308 N -3.08 0.64 -3.78 0.20 4.81 0.71 -4.89 118.16 112.77 1sme n LYS 308 Ca 0.02 0.16 -0.35 0.00 -0.87 0.00 0.00 58.31 57.26 1sme n LYS 308 Cb 0.41 -1.51 -0.09 0.00 0.02 0.00 0.00 35.03 33.86 1sme n LYS 308 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1sme s TYR 309 N -2.51 3.33 0.03 5.64 2.02 -0.40 -1.83 117.35 123.63 1sme s TYR 309 Ca -0.35 0.20 -0.30 0.00 -0.37 0.00 0.00 57.07 56.25 1sme s TYR 309 Cb 0.09 -2.18 -0.05 0.00 -0.40 0.00 0.00 41.96 39.42 1sme s TYR 309 CO 0.58 0.16 1.30 0.12 -1.57 0.00 0.00 175.55 176.14 1sme s PHE 310 N 0.62 3.16 0.10 2.71 5.36 0.15 -4.45 117.98 125.64 1sme s PHE 310 Ca 0.07 1.07 0.10 0.00 -0.96 0.00 0.00 56.93 57.20 1sme s PHE 310 Cb -0.12 -3.54 -0.04 0.00 -0.34 0.00 0.00 43.02 38.98 1sme s PHE 310 CO 0.01 -1.86 -0.23 0.95 -1.46 0.00 0.00 175.22 172.63 1sme s THR 311 N 1.74 2.47 -0.19 0.12 -4.23 -1.19 -1.49 115.64 112.88 1sme s THR 311 Ca 0.61 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.56 1sme s THR 311 Cb -0.30 -2.08 0.04 0.00 1.34 0.00 0.00 72.50 71.49 1sme s THR 311 CO 0.27 0.16 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.71 1sme s VAL 312 N -1.03 1.63 -0.38 2.29 1.01 0.11 -1.93 120.40 122.09 1sme s VAL 312 Ca 0.15 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 1sme s VAL 312 Cb -0.10 -1.68 0.03 0.00 0.00 0.00 0.00 36.38 34.63 1sme s VAL 312 CO 0.07 0.22 0.22 -0.36 0.00 0.00 0.00 175.10 175.24 1sme s PHE 313 N 1.41 3.25 -0.37 5.22 0.40 -0.52 0.97 117.98 128.34 1sme s PHE 313 Ca -0.00 -0.94 -0.11 0.00 -0.60 0.00 0.00 56.93 55.28 1sme s PHE 313 Cb -0.16 -2.45 0.02 0.00 0.51 0.00 0.00 43.02 40.94 1sme s PHE 313 CO -0.09 -0.65 0.21 0.34 0.70 0.00 0.00 175.22 175.74 1sme s ASP 314 N 1.56 5.77 0.23 1.36 -1.08 0.54 -1.74 116.67 123.31 1sme s ASP 314 Ca 0.02 -0.89 -0.01 0.00 -0.52 0.00 0.00 52.55 51.16 1sme s ASP 314 Cb -0.19 -2.04 0.24 0.00 -1.46 0.00 0.00 42.92 39.47 1sme s ASP 314 CO 0.07 -0.36 1.61 1.88 0.52 0.00 0.00 175.17 178.89 1sme h TYR 315 N 8.45 0.64 -0.14 -5.34 -1.99 -1.40 -1.24 116.97 115.95 1sme h TYR 315 Ca -0.27 -0.18 -0.03 0.00 2.00 0.00 0.00 58.73 60.25 1sme h TYR 315 Cb 1.11 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 39.70 1sme h TYR 315 CO 0.58 0.85 -0.04 -0.44 -0.00 0.00 0.00 178.16 179.12 1sme h ASP 316 N 0.45 0.28 1.17 3.88 3.32 -1.93 -3.21 116.42 120.38 1sme h ASP 316 Ca 0.04 -0.37 -0.10 0.00 0.02 0.00 0.00 57.03 56.62 1sme h ASP 316 Cb 0.88 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 1sme h ASP 316 CO 0.08 0.58 -0.87 0.78 -1.72 0.00 0.00 179.24 178.09 1sme h ASN 317 N -0.03 0.00 -3.92 6.45 2.35 -1.93 -3.49 115.58 115.02 1sme h ASN 317 Ca 0.04 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1sme h ASN 317 Cb 0.46 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.87 1sme h ASN 317 CO 0.01 0.39 -0.15 1.41 -1.65 0.00 0.00 177.43 177.44 1sme n HIS 318 N -2.99 -1.04 -3.52 1.19 8.25 -0.50 -4.94 115.22 111.68 1sme n HIS 318 Ca -0.02 0.38 -0.09 0.00 -0.26 0.00 0.00 57.72 57.73 1sme n HIS 318 Cb 0.72 -2.79 -0.02 0.00 1.12 0.00 0.00 29.99 29.02 1sme n HIS 318 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1sme s SER 319 N -2.74 -0.40 0.12 0.41 1.04 -1.04 -1.76 113.70 109.33 1sme s SER 319 Ca 0.08 -0.06 0.05 0.00 0.48 0.00 0.00 55.95 56.51 1sme s SER 319 Cb -0.01 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 1sme s SER 319 CO 0.28 -0.77 0.02 -0.69 0.98 0.00 0.00 173.24 173.07 1sme s VAL 320 N -3.34 4.05 -0.07 5.02 1.01 -0.66 -0.34 120.40 126.07 1sme s VAL 320 Ca 0.05 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1sme s VAL 320 Cb -0.01 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.41 1sme s VAL 320 CO -0.09 0.04 -0.12 -0.83 0.00 0.00 0.00 175.10 174.10 1sme s GLY 321 N -2.56 0.80 -0.12 4.51 0.00 0.27 0.22 107.32 110.44 1sme s GLY 321 Ca 0.27 -0.42 0.01 0.00 0.00 0.00 0.00 44.72 44.58 1sme s GLY 321 CO 0.19 0.16 -0.16 -0.42 0.00 0.00 0.00 173.10 172.88 1sme s ILE 322 N 0.73 2.82 0.09 0.90 1.01 0.69 0.06 121.20 127.51 1sme s ILE 322 Ca -0.13 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 59.71 1sme s ILE 322 Cb -0.16 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 1sme s ILE 322 CO 0.03 0.54 0.13 0.00 0.00 0.00 0.00 174.94 175.63 1sme s ALA 323 N 0.27 0.09 0.04 9.38 0.00 -0.55 -1.22 121.76 129.77 1sme s ALA 323 Ca -0.11 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 1sme s ALA 323 Cb -0.16 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1sme s ALA 323 CO 0.06 -0.48 0.97 -1.17 0.00 0.00 0.00 175.76 175.14 1sme s LEU 324 N -2.90 4.42 0.72 0.00 2.96 -1.13 0.34 118.68 123.09 1sme s LEU 324 Ca 0.08 1.72 -0.12 0.00 -0.22 0.00 0.00 54.13 55.59 1sme s LEU 324 Cb 0.06 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 43.20 1sme s LEU 324 CO -0.09 -0.18 1.09 0.00 -1.32 0.00 0.00 176.35 175.85 1sme s ALA 325 N 0.60 2.40 0.03 5.97 0.00 -0.76 0.52 121.76 130.52 1sme s ALA 325 Ca 0.50 0.30 -0.27 0.00 0.00 0.00 0.00 51.96 52.49 1sme s ALA 325 Cb -0.22 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 1sme s ALA 325 CO 0.29 -1.52 0.86 0.15 0.00 0.00 0.00 175.76 175.55 1sme s LYS 326 N -4.70 4.56 0.44 0.00 -0.14 0.21 -4.40 119.74 115.70 1sme s LYS 326 Ca 0.62 1.23 0.22 0.00 -1.36 0.00 0.00 55.97 56.68 1sme s LYS 326 Cb -0.17 -3.41 1.19 0.00 -1.68 0.00 0.00 37.83 33.77 1sme s LYS 326 CO 0.52 0.14 1.83 0.87 -0.76 0.00 0.00 175.35 177.95 1sme h LYS 327 N 6.12 0.29 -3.28 1.68 1.57 -1.94 -3.42 116.57 117.59 1sme h LYS 327 Ca -0.42 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.24 1sme h LYS 327 Cb 1.21 -0.07 -0.18 0.00 0.08 0.00 0.00 32.23 33.28 1sme h LYS 327 CO 0.73 0.19 -0.28 1.21 -0.57 0.00 0.00 179.45 180.73 1sme s ASN 328 N -5.49 -0.11 0.00 0.86 3.84 -1.26 -4.90 114.94 107.89 1sme s ASN 328 Ca -0.08 -0.15 0.32 0.00 0.21 0.00 0.00 52.86 53.16 1sme s ASN 328 Cb 0.23 0.33 1.83 0.00 -0.55 0.00 0.00 41.25 43.10 1sme s ASN 328 CO 0.79 -0.56 2.19 0.18 -2.79 0.00 0.00 177.10 176.91