#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a81 n ALA 10 N 0.00 1.41 -0.34 -1.46 0.00 -1.26 -4.05 120.51 114.81 1a81 n ALA 10 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 1a81 n ALA 10 Cb 0.00 -1.00 0.36 0.00 0.00 0.00 0.00 19.45 18.81 1a81 n ALA 10 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1a81 h ASN 11 N 1.68 0.63 -0.55 0.00 4.21 -2.04 -2.12 115.58 117.39 1a81 h ASN 11 Ca 0.00 0.13 -0.04 0.00 1.21 0.00 0.00 56.30 57.60 1a81 h ASN 11 Cb 0.03 0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.24 1a81 h ASN 11 CO 0.00 0.12 0.19 1.12 -1.29 0.00 0.00 177.43 177.56 1a81 h HIS 12 N 0.58 0.88 -1.19 1.19 2.07 -1.99 -3.44 115.15 113.25 1a81 h HIS 12 Ca 0.62 -0.08 -0.70 0.00 -2.85 0.00 0.00 60.37 57.36 1a81 h HIS 12 Cb 1.13 -0.26 -0.01 0.00 2.57 0.00 0.00 27.41 30.85 1a81 h HIS 12 CO -0.03 0.73 1.24 1.28 -3.07 0.00 0.00 177.93 178.08 1a81 n LEU 13 N -4.46 2.18 0.27 6.12 4.77 -0.80 -4.82 117.00 120.25 1a81 n LEU 13 Ca 0.03 0.67 0.18 0.00 -0.03 0.00 0.00 56.01 56.86 1a81 n LEU 13 Cb 0.19 -1.20 0.91 0.00 -2.33 0.00 0.00 43.42 40.98 1a81 n LEU 13 CO 0.39 -0.59 1.04 1.55 -1.33 0.00 0.00 177.39 178.45 1a81 h PRO 14 N 10.34 0.00 -0.74 3.23 0.13 -1.88 -1.69 132.00 141.39 1a81 h PRO 14 Ca -0.33 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.36 1a81 h PRO 14 Cb 1.33 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.21 1a81 h PRO 14 CO 1.00 0.00 0.25 1.97 -0.23 0.00 0.00 178.00 181.00 1a81 n PHE 15 N -2.82 2.36 -5.16 1.56 -1.74 -1.26 0.19 117.46 110.59 1a81 n PHE 15 Ca -0.01 -2.09 -0.31 0.00 -0.56 0.00 0.00 57.45 54.48 1a81 n PHE 15 Cb 0.13 -0.83 -0.17 0.00 1.52 0.00 0.00 39.48 40.13 1a81 n PHE 15 CO 0.00 0.00 0.00 0.12 -0.56 0.00 0.00 176.76 176.32 1a81 s PHE 16 N -3.45 2.44 -0.39 2.97 5.36 -0.64 0.17 117.98 124.45 1a81 s PHE 16 Ca 0.54 -0.99 0.03 0.00 -0.96 0.00 0.00 56.93 55.55 1a81 s PHE 16 Cb 0.45 -1.64 0.11 0.00 -0.34 0.00 0.00 43.02 41.60 1a81 s PHE 16 CO 0.03 -0.40 0.12 -0.06 -1.46 0.00 0.00 175.22 173.45 1a81 s PHE 17 N 0.36 3.29 0.00 10.12 0.08 -0.29 -4.64 117.98 126.90 1a81 s PHE 17 Ca -0.18 -2.88 0.00 0.00 0.12 0.00 0.00 56.93 53.98 1a81 s PHE 17 Cb -0.18 -2.71 0.00 0.00 -0.57 0.00 0.00 43.02 39.56 1a81 s PHE 17 CO 0.08 -0.88 0.00 0.41 -0.10 0.00 0.00 175.22 174.73 1a81 n GLY 18 N 3.97 0.00 3.39 4.36 0.00 -1.26 -3.60 105.19 112.06 1a81 n GLY 18 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 1a81 n GLY 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a81 s ASN 19 N 0.00 6.49 0.26 1.61 3.84 0.11 -0.82 114.94 126.44 1a81 s ASN 19 Ca 0.00 -1.98 0.10 0.00 0.21 0.00 0.00 52.86 51.20 1a81 s ASN 19 Cb 0.00 -2.31 -0.04 0.00 -0.55 0.00 0.00 41.25 38.34 1a81 s ASN 19 CO 0.00 -0.96 -0.06 -0.63 -2.79 0.00 0.00 177.10 172.66 1a81 s ILE 20 N 2.02 3.20 0.37 -5.21 1.09 -1.24 -4.63 121.20 116.81 1a81 s ILE 20 Ca 0.21 -2.02 -0.10 0.00 -1.10 0.00 0.00 60.65 57.64 1a81 s ILE 20 Cb -0.14 -2.69 -0.07 0.00 -1.06 0.00 0.00 42.46 38.50 1a81 s ILE 20 CO -0.03 -0.36 0.73 0.28 -0.10 0.00 0.00 174.94 175.45 1a81 s THR 21 N -2.33 4.81 0.17 2.92 -1.32 -1.26 -4.86 115.64 113.77 1a81 s THR 21 Ca 0.31 0.58 -0.23 0.00 -1.21 0.00 0.00 61.69 61.13 1a81 s THR 21 Cb -0.06 -3.72 0.07 0.00 -1.51 0.00 0.00 72.50 67.28 1a81 s THR 21 CO 0.18 -0.44 1.58 -0.09 -2.21 0.00 0.00 174.62 173.64 1a81 h ARG 22 N 1.46 -0.21 -0.00 7.08 2.43 -1.99 -0.82 114.38 122.33 1a81 h ARG 22 Ca -0.47 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1a81 h ARG 22 Cb 1.19 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1a81 h ARG 22 CO 0.64 -0.14 -0.01 0.93 -1.51 0.00 0.00 179.97 179.89 1a81 h GLU 23 N -0.22 -0.01 -1.48 0.20 3.07 -1.99 0.14 114.58 114.29 1a81 h GLU 23 Ca 0.20 0.00 0.45 0.00 -0.50 0.00 0.00 59.36 59.50 1a81 h GLU 23 Cb 0.56 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.39 1a81 h GLU 23 CO -0.66 -0.00 1.04 -1.91 -1.40 0.00 0.00 179.01 176.08 1a81 n GLU 24 N -2.56 -0.01 -0.08 2.33 2.13 -0.79 -0.04 120.64 121.63 1a81 n GLU 24 Ca -0.00 0.92 -0.13 0.00 0.66 0.00 0.00 57.16 58.61 1a81 n GLU 24 Cb 0.00 -2.03 -0.09 0.00 0.27 0.00 0.00 31.44 29.59 1a81 n GLU 24 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a81 h ALA 25 N 0.94 0.08 -1.11 4.31 0.00 0.26 -3.19 119.26 120.55 1a81 h ALA 25 Ca 0.75 -0.63 0.31 0.00 0.00 0.00 0.00 54.91 55.34 1a81 h ALA 25 Cb 2.88 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 20.84 1a81 h ALA 25 CO -0.11 0.26 0.72 0.93 0.00 0.00 0.00 179.25 181.05 1a81 h GLU 26 N -1.00 0.29 0.00 0.00 5.08 0.22 -0.16 114.58 119.01 1a81 h GLU 26 Ca -0.10 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1a81 h GLU 26 Cb 0.88 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1a81 h GLU 26 CO -0.06 0.19 0.00 -0.25 -1.00 0.00 0.00 179.01 177.89 1a81 n ASP 27 N -4.60 0.00 -0.29 1.42 8.00 -0.41 -1.90 116.55 118.76 1a81 n ASP 27 Ca 0.28 0.96 0.21 0.00 0.71 0.00 0.00 54.79 56.94 1a81 n ASP 27 Cb 1.02 -0.46 0.39 0.00 -0.02 0.00 0.00 41.12 42.04 1a81 n ASP 27 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1a81 n TYR 28 N -2.11 0.79 -0.14 1.24 4.01 -0.17 -1.26 117.16 119.52 1a81 n TYR 28 Ca 0.00 1.05 -0.05 0.00 -0.16 0.00 0.00 57.90 58.74 1a81 n TYR 28 Cb 0.00 -1.30 0.02 0.00 -0.31 0.00 0.00 39.34 37.74 1a81 n TYR 28 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1a81 h LEU 29 N 0.00 -0.79 -0.08 7.72 3.38 -0.58 1.02 115.31 125.98 1a81 h LEU 29 Ca 0.64 0.18 -0.25 0.00 0.09 0.00 0.00 57.88 58.54 1a81 h LEU 29 Cb 1.54 0.42 0.01 0.00 0.09 0.00 0.00 40.66 42.72 1a81 h LEU 29 CO -0.75 -0.25 -1.02 -0.37 0.09 0.00 0.00 178.44 176.13 1a81 h VAL 30 N -0.13 1.37 0.00 1.22 -1.51 -1.10 0.25 116.25 116.36 1a81 h VAL 30 Ca 0.22 -2.47 0.00 0.00 -1.23 0.00 0.00 66.70 63.22 1a81 h VAL 30 Cb 0.47 2.49 0.00 0.00 -2.13 0.00 0.00 31.29 32.12 1a81 h VAL 30 CO -0.55 0.74 0.06 1.67 -1.23 0.00 0.00 177.57 178.27 1a81 n GLN 31 N -3.75 0.00 0.00 5.19 -0.06 -0.23 0.62 117.38 119.14 1a81 n GLN 31 Ca -0.08 0.33 0.00 0.00 -2.00 0.00 0.00 57.00 55.24 1a81 n GLN 31 Cb 0.88 -1.56 0.00 0.00 -4.06 0.00 0.00 30.24 25.50 1a81 n GLN 31 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1a81 n GLY 32 N -1.31 -1.16 0.00 1.69 0.00 0.34 -4.98 105.19 99.77 1a81 n GLY 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1a81 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a81 n GLY 33 N -0.03 2.62 2.46 -0.02 0.00 0.20 -4.74 105.19 105.68 1a81 n GLY 33 Ca 0.00 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 1a81 n GLY 33 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1a81 n MET 34 N 0.00 -1.60 -2.38 1.61 1.56 0.82 -4.86 117.12 112.27 1a81 n MET 34 Ca 0.00 1.06 -0.43 0.00 -0.27 0.00 0.00 57.70 58.07 1a81 n MET 34 Cb 0.00 -5.58 -0.02 0.00 2.15 0.00 0.00 33.22 29.77 1a81 n MET 34 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1a81 s SER 35 N -2.36 6.93 0.06 6.12 1.04 -1.26 -4.62 113.70 119.61 1a81 s SER 35 Ca 0.00 1.80 -0.29 0.00 0.48 0.00 0.00 55.95 57.94 1a81 s SER 35 Cb 0.00 -2.54 -0.15 0.00 0.10 0.00 0.00 66.02 63.42 1a81 s SER 35 CO 0.00 -0.74 0.71 0.47 0.98 0.00 0.00 173.24 174.66 1a81 n ASP 36 N 6.30 -0.36 0.00 7.02 9.92 -1.23 -0.48 116.55 137.71 1a81 n ASP 36 Ca 0.14 0.93 0.00 0.00 -0.53 0.00 0.00 54.79 55.32 1a81 n ASP 36 Cb 0.45 -0.75 0.00 0.00 -0.64 0.00 0.00 41.12 40.18 1a81 n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a81 n GLY 37 N 1.35 0.76 3.78 0.44 0.00 0.40 -4.77 105.19 107.15 1a81 n GLY 37 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1a81 n GLY 37 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1a81 s LEU 38 N 0.00 4.44 0.28 0.99 0.20 0.37 -1.85 118.68 123.10 1a81 s LEU 38 Ca 0.00 1.70 -0.12 0.00 0.69 0.00 0.00 54.13 56.40 1a81 s LEU 38 Cb 0.00 -3.69 0.00 0.00 -0.43 0.00 0.00 46.19 42.08 1a81 s LEU 38 CO 0.00 0.05 0.53 -0.72 -0.29 0.00 0.00 176.35 175.92 1a81 s TYR 39 N -1.43 0.39 -0.15 5.38 1.13 -0.48 0.60 117.35 122.79 1a81 s TYR 39 Ca 0.44 -0.77 -0.30 0.00 -1.41 0.00 0.00 57.07 55.03 1a81 s TYR 39 Cb -0.20 0.26 0.12 0.00 -1.10 0.00 0.00 41.96 41.04 1a81 s TYR 39 CO 0.25 -1.09 0.97 -0.48 -2.51 0.00 0.00 175.55 172.69 1a81 s LEU 40 N -3.04 -0.39 -0.15 -3.49 0.05 -0.74 0.65 118.68 111.57 1a81 s LEU 40 Ca 0.22 0.43 -0.07 0.00 0.05 0.00 0.00 54.13 54.76 1a81 s LEU 40 Cb -0.02 1.92 -0.04 0.00 -2.05 0.00 0.00 46.19 46.00 1a81 s LEU 40 CO 0.11 -0.36 0.09 -0.22 -0.55 0.00 0.00 176.35 175.41 1a81 s LEU 41 N -1.10 4.03 0.06 1.48 0.20 0.13 -2.19 118.68 121.28 1a81 s LEU 41 Ca -0.02 0.24 0.01 0.00 0.69 0.00 0.00 54.13 55.05 1a81 s LEU 41 Cb -0.00 -2.00 -0.03 0.00 -0.43 0.00 0.00 46.19 43.73 1a81 s LEU 41 CO 0.02 0.28 -0.06 -0.60 -0.29 0.00 0.00 176.35 175.70 1a81 s ARG 42 N -0.25 0.59 -0.08 1.98 3.52 -0.18 -1.13 118.95 123.40 1a81 s ARG 42 Ca 0.09 -0.95 -0.30 0.00 -0.13 0.00 0.00 55.73 54.44 1a81 s ARG 42 Cb -0.12 -0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.09 1a81 s ARG 42 CO 0.01 -0.00 1.42 1.14 -0.81 0.00 0.00 175.30 177.06 1a81 s GLN 43 N -2.47 4.24 1.00 5.12 -2.07 -0.00 0.20 119.66 125.68 1a81 s GLN 43 Ca -0.03 1.92 -0.13 0.00 -1.82 0.00 0.00 55.36 55.30 1a81 s GLN 43 Cb -0.04 -3.77 0.12 0.00 -1.09 0.00 0.00 33.01 28.23 1a81 s GLN 43 CO -0.02 -0.70 0.67 0.45 -1.32 0.00 0.00 175.29 174.36 1a81 n SER 44 N 6.34 -1.30 0.00 12.60 2.88 -1.12 -4.50 113.62 128.51 1a81 n SER 44 Ca 0.15 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 1a81 n SER 44 Cb 0.44 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1a81 n SER 44 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1a81 n ARG 45 N -3.01 4.49 0.00 -1.46 1.74 -1.26 -4.75 116.66 112.41 1a81 n ARG 45 Ca 0.07 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1a81 n ARG 45 Cb 0.54 -0.50 0.00 0.00 -1.02 0.00 0.00 32.46 31.48 1a81 n ARG 45 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1a81 n ASN 46 N -0.66 0.91 -3.91 0.55 6.94 -1.26 -4.80 115.26 113.03 1a81 n ASN 46 Ca 0.00 -1.23 -0.23 0.00 -0.02 0.00 0.00 54.58 53.10 1a81 n ASN 46 Cb 0.01 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.26 1a81 n ASN 46 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1a81 s TYR 47 N -0.23 1.09 0.15 -2.53 2.02 -1.26 -3.17 117.35 113.41 1a81 s TYR 47 Ca 0.00 -0.41 -0.34 0.00 -0.37 0.00 0.00 57.07 55.95 1a81 s TYR 47 Cb 0.00 -0.92 -0.14 0.00 -0.40 0.00 0.00 41.96 40.50 1a81 s TYR 47 CO 0.00 -0.31 1.56 1.28 -1.57 0.00 0.00 175.55 176.51 1a81 n LEU 48 N 4.37 2.99 0.00 -1.29 7.99 -1.26 -2.40 117.00 127.40 1a81 n LEU 48 Ca -0.19 1.08 0.00 0.00 -0.01 0.00 0.00 56.01 56.90 1a81 n LEU 48 Cb 0.51 -1.41 0.00 0.00 -0.11 0.00 0.00 43.42 42.41 1a81 n LEU 48 CO 0.20 -0.34 0.00 0.61 -1.51 0.00 0.00 177.39 176.35 1a81 n GLY 49 N 3.35 0.00 1.16 -0.72 0.00 -1.26 -4.57 105.19 103.15 1a81 n GLY 49 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1a81 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a81 n GLY 50 N -0.89 -2.95 3.42 -0.02 0.00 -1.01 -4.73 105.19 99.01 1a81 n GLY 50 Ca 0.00 -1.40 -0.14 0.00 0.00 0.00 0.00 46.02 44.48 1a81 n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a81 s PHE 51 N -1.58 1.09 -0.01 1.61 0.08 0.59 -2.80 117.98 116.95 1a81 s PHE 51 Ca 0.24 -1.28 -0.00 0.00 0.12 0.00 0.00 56.93 56.00 1a81 s PHE 51 Cb -0.03 -0.24 0.01 0.00 -0.57 0.00 0.00 43.02 42.20 1a81 s PHE 51 CO 0.19 -0.98 0.03 0.00 -0.10 0.00 0.00 175.22 174.35 1a81 s ALA 52 N -3.47 -0.02 -0.12 5.36 0.00 0.13 0.21 121.76 123.85 1a81 s ALA 52 Ca 0.33 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1a81 s ALA 52 Cb 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1a81 s ALA 52 CO 0.18 -0.04 -0.13 -1.17 0.00 0.00 0.00 175.76 174.60 1a81 s LEU 53 N 0.36 2.71 -0.09 0.00 0.20 1.10 -1.01 118.68 121.95 1a81 s LEU 53 Ca -0.03 -0.31 0.02 0.00 0.69 0.00 0.00 54.13 54.50 1a81 s LEU 53 Cb -0.04 -1.60 0.01 0.00 -0.43 0.00 0.00 46.19 44.13 1a81 s LEU 53 CO -0.01 0.19 -0.15 -0.94 -0.29 0.00 0.00 176.35 175.15 1a81 s SER 54 N 0.20 2.27 -0.00 3.68 1.04 -0.93 0.25 113.70 120.22 1a81 s SER 54 Ca -0.08 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 55.98 1a81 s SER 54 Cb -0.15 -1.03 -0.01 0.00 0.10 0.00 0.00 66.02 64.93 1a81 s SER 54 CO 0.05 0.04 -0.06 0.68 0.98 0.00 0.00 173.24 174.92 1a81 s VAL 55 N 0.80 0.51 -0.24 5.02 -7.23 0.16 -1.78 120.40 117.64 1a81 s VAL 55 Ca -0.11 -0.31 -0.24 0.00 -1.81 0.00 0.00 61.98 59.51 1a81 s VAL 55 Cb -0.16 -0.44 -0.01 0.00 0.56 0.00 0.00 36.38 36.34 1a81 s VAL 55 CO 0.02 0.11 0.80 0.00 -0.31 0.00 0.00 175.10 175.72 1a81 s ALA 56 N -0.21 3.63 -0.30 1.32 0.00 0.20 -0.95 121.76 125.45 1a81 s ALA 56 Ca 0.02 -0.17 -0.14 0.00 0.00 0.00 0.00 51.96 51.68 1a81 s ALA 56 Cb -0.03 -3.24 0.14 0.00 0.00 0.00 0.00 23.12 20.00 1a81 s ALA 56 CO -0.00 -0.88 0.85 -1.58 0.00 0.00 0.00 175.76 174.15 1a81 s HIS 57 N 2.72 -0.92 0.00 0.00 5.04 -0.65 0.15 115.29 121.63 1a81 s HIS 57 Ca 0.34 1.64 0.00 0.00 -1.54 0.00 0.00 55.06 55.50 1a81 s HIS 57 Cb -0.15 0.55 0.00 0.00 0.04 0.00 0.00 32.58 33.02 1a81 s HIS 57 CO 0.08 -0.46 0.00 0.41 -2.34 0.00 0.00 174.74 172.43 1a81 n GLY 58 N 4.91 0.90 4.93 1.59 0.00 -1.26 -3.56 105.19 112.70 1a81 n GLY 58 Ca -0.12 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1a81 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a81 n ARG 59 N -0.86 0.00 -2.43 1.61 1.74 -1.26 -4.87 116.66 110.59 1a81 n ARG 59 Ca 0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 1a81 n ARG 59 Cb 0.34 -3.72 0.07 0.00 -1.02 0.00 0.00 32.46 28.13 1a81 n ARG 59 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1a81 s LYS 60 N 0.00 2.19 -0.02 5.56 1.02 -1.23 -5.09 119.74 122.17 1a81 s LYS 60 Ca 0.00 -0.61 0.02 0.00 0.02 0.00 0.00 55.97 55.40 1a81 s LYS 60 Cb 0.00 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 34.97 1a81 s LYS 60 CO 0.00 -1.11 -0.07 0.00 -0.92 0.00 0.00 175.35 173.25 1a81 s ALA 61 N -3.06 2.98 -0.10 5.17 0.00 -1.26 -1.63 121.76 123.86 1a81 s ALA 61 Ca 0.61 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.62 1a81 s ALA 61 Cb -0.09 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.88 1a81 s ALA 61 CO 0.42 0.60 -0.21 -1.01 0.00 0.00 0.00 175.76 175.57 1a81 s HIS 62 N -0.92 2.29 -0.22 0.00 0.09 -0.12 -4.98 115.29 111.43 1a81 s HIS 62 Ca 0.15 -0.97 -0.04 0.00 -0.00 0.00 0.00 55.06 54.21 1a81 s HIS 62 Cb -0.11 -1.56 -0.01 0.00 -0.00 0.00 0.00 32.58 30.90 1a81 s HIS 62 CO 0.05 -0.42 -0.05 -1.01 -0.00 0.00 0.00 174.74 173.31 1a81 s HIS 63 N 0.52 2.95 -0.04 1.40 3.76 -1.26 -0.66 115.29 121.95 1a81 s HIS 63 Ca -0.16 -0.95 0.06 0.00 -0.15 0.00 0.00 55.06 53.86 1a81 s HIS 63 Cb -0.17 -2.09 -0.01 0.00 1.11 0.00 0.00 32.58 31.42 1a81 s HIS 63 CO 0.06 -0.55 -0.22 0.71 -0.85 0.00 0.00 174.74 173.89 1a81 s TYR 64 N 1.43 2.10 -0.23 1.40 2.02 0.70 -4.95 117.35 119.83 1a81 s TYR 64 Ca 0.05 -0.56 -0.08 0.00 -0.37 0.00 0.00 57.07 56.11 1a81 s TYR 64 Cb -0.14 -1.38 -0.04 0.00 -0.40 0.00 0.00 41.96 40.00 1a81 s TYR 64 CO -0.03 -0.15 0.10 -0.08 -1.57 0.00 0.00 175.55 173.81 1a81 s THR 65 N -0.20 4.75 -0.66 -0.71 -1.32 -1.26 0.35 115.64 116.59 1a81 s THR 65 Ca -0.00 -0.03 -0.18 0.00 -1.21 0.00 0.00 61.69 60.27 1a81 s THR 65 Cb -0.12 -3.20 0.13 0.00 -1.51 0.00 0.00 72.50 67.80 1a81 s THR 65 CO 0.02 0.37 0.73 -0.63 -2.21 0.00 0.00 174.62 172.89 1a81 s ILE 66 N 1.15 4.99 0.38 5.08 1.01 0.55 -4.26 121.20 130.10 1a81 s ILE 66 Ca 0.05 -1.36 -0.15 0.00 0.00 0.00 0.00 60.65 59.19 1a81 s ILE 66 Cb -0.14 -4.50 -0.08 0.00 0.01 0.00 0.00 42.46 37.75 1a81 s ILE 66 CO 0.04 -1.12 0.81 -1.83 0.00 0.00 0.00 174.94 172.84 1a81 s GLU 67 N 2.14 3.97 -0.28 2.79 -1.05 -1.24 0.22 118.70 125.25 1a81 s GLU 67 Ca 0.13 0.72 -0.20 0.00 -0.15 0.00 0.00 54.97 55.47 1a81 s GLU 67 Cb -0.21 -2.35 -0.01 0.00 -0.44 0.00 0.00 34.13 31.12 1a81 s GLU 67 CO 0.02 0.02 0.63 0.50 0.95 0.00 0.00 175.26 177.39 1a81 s ARG 68 N -3.38 4.02 0.31 -4.83 6.06 -1.26 -2.51 118.95 117.36 1a81 s ARG 68 Ca 0.55 0.45 -0.29 0.00 -2.50 0.00 0.00 55.73 53.94 1a81 s ARG 68 Cb -0.10 -3.68 -0.10 0.00 0.06 0.00 0.00 34.95 31.13 1a81 s ARG 68 CO 0.22 -0.48 1.27 -1.21 -2.50 0.00 0.00 175.30 172.60 1a81 s GLU 69 N 2.56 4.41 0.43 5.12 0.41 0.61 -4.89 118.70 127.35 1a81 s GLU 69 Ca 0.26 2.13 0.29 0.00 -0.41 0.00 0.00 54.97 57.23 1a81 s GLU 69 Cb -0.15 -3.11 1.39 0.00 -1.78 0.00 0.00 34.13 30.48 1a81 s GLU 69 CO 0.10 -0.13 1.64 -0.07 -0.49 0.00 0.00 175.26 176.31 1a81 h LEU 70 N 3.72 0.26 0.00 1.80 4.07 -1.96 0.60 115.31 123.80 1a81 h LEU 70 Ca -0.48 0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.61 1a81 h LEU 70 Cb 1.22 0.11 0.00 0.00 1.08 0.00 0.00 40.66 43.08 1a81 h LEU 70 CO 0.67 -0.15 0.00 0.59 -1.08 0.00 0.00 178.44 178.47 1a81 n ASN 71 N -4.69 0.00 0.00 -0.43 3.02 -1.26 -4.76 115.26 107.14 1a81 n ASN 71 Ca 0.36 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 55.15 1a81 n ASN 71 Cb 1.37 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 40.23 1a81 n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a81 n GLY 72 N -0.82 0.67 3.46 7.41 0.00 0.21 -5.06 105.19 111.06 1a81 n GLY 72 Ca 0.03 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 1a81 n GLY 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a81 s THR 73 N -2.00 2.60 0.09 2.61 -4.23 -1.16 -4.93 115.64 108.61 1a81 s THR 73 Ca 0.00 -1.77 0.05 0.00 -1.18 0.00 0.00 61.69 58.79 1a81 s THR 73 Cb 0.00 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 1a81 s THR 73 CO 0.00 -0.01 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.75 1a81 s TYR 74 N -1.39 2.97 -0.29 3.99 2.02 -0.37 0.22 117.35 124.50 1a81 s TYR 74 Ca 0.19 -0.04 -0.17 0.00 -0.37 0.00 0.00 57.07 56.68 1a81 s TYR 74 Cb -0.09 -1.53 0.16 0.00 -0.40 0.00 0.00 41.96 40.10 1a81 s TYR 74 CO 0.10 0.47 1.06 0.00 -1.57 0.00 0.00 175.55 175.62 1a81 s ALA 75 N -1.30 -2.33 0.22 3.71 0.00 -1.04 0.13 121.76 121.15 1a81 s ALA 75 Ca 0.25 2.10 -0.30 0.00 0.00 0.00 0.00 51.96 54.01 1a81 s ALA 75 Cb -0.12 -1.75 -0.09 0.00 0.00 0.00 0.00 23.12 21.16 1a81 s ALA 75 CO 0.18 -0.32 1.40 0.42 0.00 0.00 0.00 175.76 177.44 1a81 s ILE 76 N 1.10 2.89 -0.08 0.00 1.09 -1.26 -3.68 121.20 121.27 1a81 s ILE 76 Ca -0.07 0.73 -0.39 0.00 -1.10 0.00 0.00 60.65 59.82 1a81 s ILE 76 Cb -0.04 -3.47 -0.17 0.00 -1.06 0.00 0.00 42.46 37.73 1a81 s ILE 76 CO -0.13 0.11 1.43 0.00 -0.10 0.00 0.00 174.94 176.24 1a81 n ALA 77 N 2.65 -1.25 0.00 9.38 0.00 -1.26 -1.20 120.51 128.83 1a81 n ALA 77 Ca 0.07 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1a81 n ALA 77 Cb 0.41 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1a81 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a81 n GLY 78 N 2.92 0.82 1.76 0.00 0.00 -1.26 -5.06 105.19 104.37 1a81 n GLY 78 Ca 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 1a81 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a81 n GLY 79 N -2.00 3.86 3.69 -0.02 0.00 -0.34 -5.12 105.19 105.26 1a81 n GLY 79 Ca 0.00 -2.24 -0.34 0.00 0.00 0.00 0.00 46.02 43.44 1a81 n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a81 n ARG 80 N -0.59 0.19 -3.84 1.61 0.63 -1.26 -4.75 116.66 108.65 1a81 n ARG 80 Ca -0.09 0.14 -0.36 0.00 -0.92 0.00 0.00 57.85 56.62 1a81 n ARG 80 Cb 0.31 -2.43 -0.11 0.00 0.45 0.00 0.00 32.46 30.68 1a81 n ARG 80 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1a81 s THR 81 N -2.11 4.62 0.12 5.15 -4.23 -1.26 -4.39 115.64 113.54 1a81 s THR 81 Ca 0.73 -0.07 0.04 0.00 -1.18 0.00 0.00 61.69 61.20 1a81 s THR 81 Cb -0.29 -3.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.37 1a81 s THR 81 CO 0.51 0.37 0.14 -1.00 -0.54 0.00 0.00 174.62 174.10 1a81 s HIS 82 N 1.18 3.24 0.10 3.99 0.09 0.34 -4.89 115.29 119.34 1a81 s HIS 82 Ca 0.05 0.06 -0.35 0.00 -0.00 0.00 0.00 55.06 54.81 1a81 s HIS 82 Cb -0.14 -1.59 -0.16 0.00 -0.00 0.00 0.00 32.58 30.69 1a81 s HIS 82 CO 0.04 0.53 1.56 0.00 -0.00 0.00 0.00 174.74 176.86 1a81 h ALA 83 N 2.74 -1.05 -2.19 -1.40 0.00 -1.94 -0.97 119.26 114.45 1a81 h ALA 83 Ca -0.47 -0.14 -0.39 0.00 0.00 0.00 0.00 54.91 53.91 1a81 h ALA 83 Cb 1.18 0.86 -0.14 0.00 0.00 0.00 0.00 17.79 19.69 1a81 h ALA 83 CO 0.66 -1.15 -0.68 -1.54 0.00 0.00 0.00 179.25 176.53 1a81 s SER 84 N -4.57 2.06 0.35 0.00 1.04 -1.26 -4.21 113.70 107.11 1a81 s SER 84 Ca -0.17 -1.14 0.02 0.00 0.48 0.00 0.00 55.95 55.15 1a81 s SER 84 Cb 0.05 -0.04 0.63 0.00 0.10 0.00 0.00 66.02 66.76 1a81 s SER 84 CO 0.61 -0.40 2.00 1.55 0.98 0.00 0.00 173.24 177.98 1a81 h PRO 85 N 2.53 0.83 -0.48 4.02 0.13 -1.94 -1.69 132.00 135.40 1a81 h PRO 85 Ca -0.38 -0.05 0.08 0.00 -0.87 0.00 0.00 66.00 64.77 1a81 h PRO 85 Cb 1.22 -0.19 -0.06 0.00 0.13 0.00 0.00 31.00 32.10 1a81 h PRO 85 CO 0.64 0.56 0.12 0.00 -0.23 0.00 0.00 178.00 179.09 1a81 h ALA 86 N 1.59 0.55 0.34 -0.56 0.00 -1.99 -1.49 119.26 117.72 1a81 h ALA 86 Ca 0.23 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1a81 h ALA 86 Cb -0.08 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1a81 h ALA 86 CO -0.05 -0.29 -0.45 -0.44 0.00 0.00 0.00 179.25 178.02 1a81 h ASP 87 N 0.26 -1.28 -0.90 0.00 3.32 -1.73 -1.79 116.42 114.30 1a81 h ASP 87 Ca 0.24 0.11 0.16 0.00 0.02 0.00 0.00 57.03 57.56 1a81 h ASP 87 Cb 0.30 0.44 -0.16 0.00 0.22 0.00 0.00 39.33 40.13 1a81 h ASP 87 CO -0.29 -0.56 -0.28 -0.11 -1.72 0.00 0.00 179.24 176.28 1a81 n LEU 88 N -5.12 -0.44 0.34 1.55 -0.00 -0.70 0.80 117.00 113.44 1a81 n LEU 88 Ca -0.10 1.56 -0.14 0.00 -0.00 0.00 0.00 56.01 57.33 1a81 n LEU 88 Cb 0.39 -0.42 -0.07 0.00 -0.00 0.00 0.00 43.42 43.33 1a81 n LEU 88 CO 0.20 -1.45 0.53 0.00 -0.00 0.00 0.00 177.39 176.67 1a81 h HIS 90 N -0.89 0.37 0.42 0.00 3.86 -0.16 1.69 115.15 120.44 1a81 h HIS 90 Ca -0.09 0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 1a81 h HIS 90 Cb 0.69 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.16 1a81 h HIS 90 CO 0.03 -0.38 -0.20 -0.92 0.86 0.00 0.00 177.93 177.32 1a81 h TYR 91 N 0.07 -0.53 0.00 2.45 5.03 0.90 -3.03 116.97 121.86 1a81 h TYR 91 Ca 0.68 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.97 1a81 h TYR 91 Cb 1.55 0.17 0.00 0.00 1.55 0.00 0.00 36.73 40.01 1a81 h TYR 91 CO -0.27 -0.20 0.00 0.72 -1.32 0.00 0.00 178.16 177.09 1a81 n HIS 92 N -5.19 0.00 0.92 -3.82 8.25 0.24 -1.08 115.22 114.54 1a81 n HIS 92 Ca -0.10 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.50 1a81 n HIS 92 Cb 0.29 -0.19 0.58 0.00 1.12 0.00 0.00 29.99 31.78 1a81 n HIS 92 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1a81 n SER 93 N -1.19 0.05 0.00 0.41 2.88 0.55 -2.64 113.62 113.68 1a81 n SER 93 Ca 0.11 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 1a81 n SER 93 Cb 0.12 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 1a81 n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a81 n GLN 94 N -1.54 2.38 -4.55 -1.46 6.02 -0.49 -4.47 117.38 113.26 1a81 n GLN 94 Ca 0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.73 1a81 n GLN 94 Cb 0.33 -0.82 -0.16 0.00 1.02 0.00 0.00 30.24 30.60 1a81 n GLN 94 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1a81 s GLU 95 N -1.47 2.96 -0.00 -1.09 2.12 -0.24 -5.01 118.70 115.96 1a81 s GLU 95 Ca 0.00 -0.83 -0.24 0.00 0.36 0.00 0.00 54.97 54.26 1a81 s GLU 95 Cb 0.00 -2.42 -0.16 0.00 0.26 0.00 0.00 34.13 31.81 1a81 s GLU 95 CO 0.00 -0.05 1.17 0.66 -0.54 0.00 0.00 175.26 176.49 1a81 h SER 96 N 7.45 -0.34 -5.07 -1.70 4.64 -1.81 -3.36 113.55 113.35 1a81 h SER 96 Ca -0.35 -0.19 -0.14 0.00 -0.47 0.00 0.00 61.79 60.64 1a81 h SER 96 Cb 1.18 0.09 0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1a81 h SER 96 CO 0.56 0.05 -0.80 -0.67 -0.87 0.00 0.00 176.83 175.11 1a81 n ASP 97 N -5.11 -4.30 0.00 4.97 2.03 -1.26 -1.42 116.55 111.46 1a81 n ASP 97 Ca -0.09 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1a81 n ASP 97 Cb 0.27 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 1a81 n ASP 97 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a81 n GLY 98 N 0.46 1.12 3.73 0.27 0.00 -1.26 -4.98 105.19 104.53 1a81 n GLY 98 Ca -0.03 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1a81 n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a81 s LEU 99 N 0.00 4.36 0.54 0.99 1.43 -0.50 -4.84 118.68 120.66 1a81 s LEU 99 Ca 0.00 2.89 0.45 0.00 -1.03 0.00 0.00 54.13 56.43 1a81 s LEU 99 Cb 0.00 -3.61 1.66 0.00 0.03 0.00 0.00 46.19 44.27 1a81 s LEU 99 CO 0.00 -0.96 1.64 -0.37 0.23 0.00 0.00 176.35 176.89 1a81 h VAL 100 N 3.72 0.13 -2.08 -1.59 -1.51 -1.93 -3.43 116.25 109.56 1a81 h VAL 100 Ca -0.44 -0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1a81 h VAL 100 Cb 1.20 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 1a81 h VAL 100 CO 0.92 0.00 0.02 0.00 -1.23 0.00 0.00 177.57 177.28 1a81 s LEU 102 N 0.00 4.41 -1.20 0.00 2.01 -1.26 -4.61 118.68 118.02 1a81 s LEU 102 Ca 0.01 1.19 -0.18 0.00 0.01 0.00 0.00 54.13 55.16 1a81 s LEU 102 Cb -0.00 -2.97 0.09 0.00 0.01 0.00 0.00 46.19 43.32 1a81 s LEU 102 CO 0.01 0.07 1.59 -0.76 1.01 0.00 0.00 176.35 178.27 1a81 s LEU 103 N -0.07 4.04 0.00 1.79 1.43 -1.08 -4.38 118.68 120.41 1a81 s LEU 103 Ca 0.32 -2.31 0.00 0.00 -1.03 0.00 0.00 54.13 51.11 1a81 s LEU 103 Cb -0.18 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.50 1a81 s LEU 103 CO 0.18 -1.16 0.50 0.29 0.23 0.00 0.00 176.35 176.39 1a81 n LYS 104 N 7.94 0.00 -3.56 1.70 5.02 -0.80 -4.57 118.16 123.88 1a81 n LYS 104 Ca 0.42 0.27 -0.36 0.00 -2.02 0.00 0.00 58.31 56.62 1a81 n LYS 104 Cb 0.47 -1.10 -0.07 0.00 -0.02 0.00 0.00 35.03 34.31 1a81 n LYS 104 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1a81 s LYS 105 N -1.54 4.24 0.57 1.97 1.02 -0.77 -5.00 119.74 120.23 1a81 s LYS 105 Ca 0.00 0.04 -0.07 0.00 0.02 0.00 0.00 55.97 55.96 1a81 s LYS 105 Cb 0.00 -3.43 -0.01 0.00 -0.52 0.00 0.00 37.83 33.87 1a81 s LYS 105 CO 0.00 0.23 0.90 -1.25 -0.92 0.00 0.00 175.35 174.31 1a81 s PRO 106 N 0.50 3.21 -0.39 -1.68 0.04 -1.26 -1.38 135.00 134.03 1a81 s PRO 106 Ca 0.15 0.21 -0.01 0.00 0.04 0.00 0.00 61.00 61.39 1a81 s PRO 106 Cb -0.13 -2.25 0.11 0.00 0.04 0.00 0.00 34.50 32.27 1a81 s PRO 106 CO 0.03 -0.55 0.17 0.12 0.04 0.00 0.00 177.00 176.80 1a81 s PHE 107 N -2.97 3.63 0.68 0.56 2.19 0.21 -4.73 117.98 117.54 1a81 s PHE 107 Ca 0.52 -2.55 -0.16 0.00 0.33 0.00 0.00 56.93 55.07 1a81 s PHE 107 Cb -0.11 -3.15 0.01 0.00 -1.31 0.00 0.00 43.02 38.46 1a81 s PHE 107 CO 0.47 -0.97 1.21 -0.80 1.83 0.00 0.00 175.22 176.96 1a81 s ASN 108 N 1.61 4.60 -0.49 6.13 -0.87 -1.26 -4.36 114.94 120.30 1a81 s ASN 108 Ca 0.09 2.37 -0.27 0.00 -1.57 0.00 0.00 52.86 53.47 1a81 s ASN 108 Cb -0.22 -2.59 -0.03 0.00 -0.02 0.00 0.00 41.25 38.39 1a81 s ASN 108 CO -0.05 -1.99 1.93 -0.60 -2.57 0.00 0.00 177.10 173.82 1a81 s ARG 109 N -3.70 2.80 0.70 -0.60 3.52 0.50 -4.91 118.95 117.25 1a81 s ARG 109 Ca 0.76 1.04 -0.17 0.00 -0.13 0.00 0.00 55.73 57.23 1a81 s ARG 109 Cb -0.30 -4.35 -0.09 0.00 -1.56 0.00 0.00 34.95 28.65 1a81 s ARG 109 CO 0.41 -2.50 0.13 -2.30 -0.81 0.00 0.00 175.30 170.23 1a81 n PRO 110 N 8.89 0.17 -1.61 5.12 -0.02 -1.26 -4.72 135.00 141.57 1a81 n PRO 110 Ca 0.24 0.08 -0.63 0.00 -2.02 0.00 0.00 63.50 61.17 1a81 n PRO 110 Cb 0.51 -1.45 -0.09 0.00 -0.02 0.00 0.00 33.50 32.44 1a81 n PRO 110 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1a81 n GLN 111 N 0.44 0.00 0.00 -0.52 1.13 -1.26 -1.64 117.38 115.53 1a81 n GLN 111 Ca 0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 1a81 n GLN 111 Cb 0.50 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.42 1a81 n GLN 111 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a81 n GLY 112 N 3.20 2.26 3.45 1.08 0.00 -1.26 -5.02 105.19 108.90 1a81 n GLY 112 Ca 0.27 -0.41 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 1a81 n GLY 112 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a81 n VAL 113 N 0.00 1.74 -4.47 1.61 0.31 -0.65 -5.03 118.33 111.84 1a81 n VAL 113 Ca 0.00 -0.50 -0.23 0.00 -0.01 0.00 0.00 64.34 63.60 1a81 n VAL 113 Cb 0.00 -0.46 -0.11 0.00 -0.91 0.00 0.00 33.84 32.37 1a81 n VAL 113 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1a81 s GLN 114 N -1.39 1.67 0.05 5.55 -1.52 -1.26 -4.81 119.66 117.95 1a81 s GLN 114 Ca 0.62 -1.90 -0.30 0.00 -1.95 0.00 0.00 55.36 51.83 1a81 s GLN 114 Cb -0.70 -1.11 -0.05 0.00 -0.22 0.00 0.00 33.01 30.93 1a81 s GLN 114 CO 0.59 -0.08 1.13 -2.14 -0.25 0.00 0.00 175.29 174.54 1a81 s PRO 115 N -3.80 4.48 0.68 2.91 0.02 -1.26 -4.74 135.00 133.30 1a81 s PRO 115 Ca 0.34 1.67 -0.15 0.00 0.02 0.00 0.00 61.00 62.88 1a81 s PRO 115 Cb 0.07 -3.37 0.01 0.00 0.02 0.00 0.00 34.50 31.23 1a81 s PRO 115 CO 0.15 -0.17 1.13 0.15 -0.33 0.00 0.00 177.00 177.93 1a81 s LYS 116 N 0.93 2.59 -0.11 5.54 1.02 -1.26 -4.51 119.74 123.94 1a81 s LYS 116 Ca 0.56 1.47 -0.05 0.00 0.02 0.00 0.00 55.97 57.97 1a81 s LYS 116 Cb -0.27 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.09 1a81 s LYS 116 CO 0.29 -1.43 0.08 0.99 -0.92 0.00 0.00 175.35 174.37 1a81 s THR 117 N -2.29 5.01 -0.00 2.17 2.01 -1.26 -0.71 115.64 120.57 1a81 s THR 117 Ca 0.68 0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.68 1a81 s THR 117 Cb -0.22 -3.16 -0.01 0.00 0.01 0.00 0.00 72.50 69.12 1a81 s THR 117 CO 0.43 0.61 0.49 -0.65 -0.69 0.00 0.00 174.62 174.81 1a81 h PRO 152 N 5.11 -0.09 0.00 4.92 0.11 -2.03 -3.46 132.00 136.56 1a81 h PRO 152 Ca -0.53 0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.44 1a81 h PRO 152 Cb 1.21 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1a81 h PRO 152 CO 0.57 -0.06 -2.06 0.94 -0.21 0.00 0.00 178.00 177.18 1a81 n GLN 153 N -2.49 0.79 -0.33 1.05 0.00 -1.26 -4.53 117.38 110.60 1a81 n GLN 153 Ca -0.01 -0.10 -0.02 0.00 -0.00 0.00 0.00 57.00 56.87 1a81 n GLN 153 Cb 0.04 -1.47 0.04 0.00 0.00 0.00 0.00 30.24 28.85 1a81 n GLN 153 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1a81 h LEU 154 N 0.00 -1.33 -0.82 1.69 -0.00 -2.06 0.39 115.31 113.19 1a81 h LEU 154 Ca -0.22 0.29 0.09 0.00 -0.00 0.00 0.00 57.88 58.03 1a81 h LEU 154 Cb 1.46 0.70 -0.12 0.00 -0.00 0.00 0.00 40.66 42.70 1a81 h LEU 154 CO 0.01 -0.29 -0.54 -0.33 -0.00 0.00 0.00 178.44 177.29 1a81 h GLU 155 N -0.04 -0.11 -0.05 1.13 5.08 -2.00 0.54 114.58 119.13 1a81 h GLU 155 Ca 0.32 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.71 1a81 h GLU 155 Cb 0.59 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1a81 h GLU 155 CO -0.91 -0.07 0.32 -0.22 -1.00 0.00 0.00 179.01 177.13 1a81 h LYS 156 N -0.12 0.00 0.00 2.33 1.63 -1.19 -1.85 116.57 117.38 1a81 h LYS 156 Ca 0.17 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1a81 h LYS 156 Cb 0.49 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1a81 h LYS 156 CO -0.84 0.00 0.00 -0.11 -3.45 0.00 0.00 179.45 175.05 1a81 n LEU 157 N -3.01 0.30 -0.31 5.20 7.94 0.18 -3.51 117.00 123.78 1a81 n LEU 157 Ca -0.01 0.20 0.24 0.00 -1.11 0.00 0.00 56.01 55.34 1a81 n LEU 157 Cb 0.38 -0.40 0.46 0.00 0.53 0.00 0.00 43.42 44.39 1a81 n LEU 157 CO 0.16 -0.40 0.92 -0.38 -1.11 0.00 0.00 177.39 176.57 1a81 n ILE 158 N -2.00 -0.40 -0.05 1.96 -0.00 -0.66 -0.63 119.36 117.59 1a81 n ILE 158 Ca 0.00 1.99 -0.12 0.00 -0.00 0.00 0.00 62.75 64.62 1a81 n ILE 158 Cb 0.00 -3.11 -0.07 0.00 -0.00 0.00 0.00 39.64 36.46 1a81 n ILE 158 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1a81 h ALA 159 N 1.90 0.18 -0.56 -1.39 0.00 -1.53 -2.58 119.26 115.28 1a81 h ALA 159 Ca 0.72 -0.25 0.16 0.00 0.00 0.00 0.00 54.91 55.55 1a81 h ALA 159 Cb 1.79 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 1a81 h ALA 159 CO -0.79 -0.05 0.54 1.79 0.00 0.00 0.00 179.25 180.74 1a81 h THR 160 N -0.07 0.39 -2.46 0.00 1.35 -0.91 -3.29 112.91 107.92 1a81 h THR 160 Ca 0.03 0.00 -0.49 0.00 -0.55 0.00 0.00 66.41 65.40 1a81 h THR 160 Cb 0.49 0.58 -0.37 0.00 -1.73 0.00 0.00 68.15 67.12 1a81 h THR 160 CO 0.02 0.00 -0.77 0.42 -0.25 0.00 0.00 175.52 174.93 1a81 s THR 161 N -4.68 -0.08 0.00 6.82 -4.23 -1.00 -4.85 115.64 107.61 1a81 s THR 161 Ca -0.04 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1a81 s THR 161 Cb 0.17 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 73.03 1a81 s THR 161 CO 0.59 -0.78 0.00 0.00 -0.54 0.00 0.00 174.62 173.89 1a81 n ALA 162 N 4.57 0.84 -0.03 3.99 0.00 -1.03 -4.62 120.51 124.24 1a81 n ALA 162 Ca 0.05 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.65 1a81 n ALA 162 Cb 0.41 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.45 1a81 n ALA 162 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1a81 h HIS 163 N 0.00 0.22 -0.27 0.00 2.07 -1.86 0.66 115.15 115.97 1a81 h HIS 163 Ca 0.00 0.01 0.08 0.00 -2.85 0.00 0.00 60.37 57.61 1a81 h HIS 163 Cb 0.00 -0.07 -0.01 0.00 2.57 0.00 0.00 27.41 29.90 1a81 h HIS 163 CO 0.00 0.10 0.57 0.93 -3.07 0.00 0.00 177.93 176.46 1a81 h GLU 164 N 0.21 0.00 0.00 5.12 5.08 -1.95 0.48 114.58 123.52 1a81 h GLU 164 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1a81 h GLU 164 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1a81 h GLU 164 CO -0.05 0.00 -0.86 1.17 -1.00 0.00 0.00 179.01 178.28 1a81 n LYS 165 N -3.17 1.52 -2.91 2.33 0.00 0.22 -5.00 118.16 111.14 1a81 n LYS 165 Ca 0.05 -0.01 -0.40 0.00 0.00 0.00 0.00 58.31 57.94 1a81 n LYS 165 Cb 0.69 -1.28 -0.05 0.00 0.00 0.00 0.00 35.03 34.38 1a81 n LYS 165 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1a81 s MET 166 N -2.59 4.59 0.12 1.64 1.00 0.17 -5.01 119.30 119.21 1a81 s MET 166 Ca 0.05 1.21 -0.23 0.00 0.00 0.00 0.00 55.69 56.71 1a81 s MET 166 Cb 0.12 -3.33 -0.05 0.00 0.00 0.00 0.00 34.83 31.57 1a81 s MET 166 CO 0.67 0.38 1.40 -2.30 0.00 0.00 0.00 175.02 175.17 1a81 n PRO 167 N 2.32 -0.33 0.00 2.03 -0.02 -1.26 -0.46 135.00 137.28 1a81 n PRO 167 Ca -0.02 1.38 0.04 0.00 -2.02 0.00 0.00 63.50 62.87 1a81 n PRO 167 Cb 0.49 -2.03 0.24 0.00 -0.02 0.00 0.00 33.50 32.18 1a81 n PRO 167 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1a81 n TRP 168 N -4.70 0.00 -3.47 6.00 4.27 -1.26 -4.35 117.44 113.92 1a81 n TRP 168 Ca 0.02 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.20 1a81 n TRP 168 Cb 0.20 -0.04 -0.10 0.00 -1.36 0.00 0.00 31.31 30.01 1a81 n TRP 168 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1a81 s PHE 169 N -2.09 3.25 -0.90 -2.67 5.36 0.39 0.26 117.98 121.58 1a81 s PHE 169 Ca 0.12 -0.78 -0.03 0.00 -0.96 0.00 0.00 56.93 55.28 1a81 s PHE 169 Cb 0.06 -2.71 0.22 0.00 -0.34 0.00 0.00 43.02 40.25 1a81 s PHE 169 CO 0.10 -0.66 0.79 -1.01 -1.46 0.00 0.00 175.22 172.98 1a81 s HIS 170 N 1.64 3.90 0.00 10.12 3.76 -0.12 -4.82 115.29 129.76 1a81 s HIS 170 Ca 0.04 -2.94 0.00 0.00 -0.15 0.00 0.00 55.06 52.01 1a81 s HIS 170 Cb -0.20 -3.32 0.00 0.00 1.11 0.00 0.00 32.58 30.16 1a81 s HIS 170 CO 0.08 -0.78 0.00 0.41 -0.85 0.00 0.00 174.74 173.61 1a81 n GLY 171 N 2.50 0.00 3.71 -2.22 0.00 -1.26 -4.23 105.19 103.68 1a81 n GLY 171 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1a81 n GLY 171 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a81 s LYS 172 N 0.00 4.22 0.06 1.61 2.47 -1.26 -1.37 119.74 125.46 1a81 s LYS 172 Ca 0.00 0.09 -0.14 0.00 -1.56 0.00 0.00 55.97 54.35 1a81 s LYS 172 Cb 0.00 -3.47 0.02 0.00 -1.46 0.00 0.00 37.83 32.93 1a81 s LYS 172 CO 0.00 0.15 0.33 0.42 0.16 0.00 0.00 175.35 176.40 1a81 s ILE 173 N 0.75 0.08 0.98 5.43 1.01 -1.26 -4.94 121.20 123.25 1a81 s ILE 173 Ca 0.16 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 1a81 s ILE 173 Cb -0.13 -1.01 0.17 0.00 0.01 0.00 0.00 42.46 41.51 1a81 s ILE 173 CO 0.05 -0.37 1.10 -0.94 0.00 0.00 0.00 174.94 174.78 1a81 s SER 174 N -2.22 2.82 0.37 3.58 1.04 -1.26 -4.81 113.70 113.23 1a81 s SER 174 Ca -0.03 1.23 0.16 0.00 0.48 0.00 0.00 55.95 57.79 1a81 s SER 174 Cb 0.00 -1.89 0.69 0.00 0.10 0.00 0.00 66.02 64.92 1a81 s SER 174 CO -0.05 -3.01 1.76 -0.09 0.98 0.00 0.00 173.24 172.83 1a81 h ARG 175 N -1.81 0.00 0.00 4.02 2.43 -2.00 -3.18 114.38 113.83 1a81 h ARG 175 Ca -0.53 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.52 1a81 h ARG 175 Cb 1.32 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 1a81 h ARG 175 CO 0.57 0.40 -0.81 0.93 -1.51 0.00 0.00 179.97 179.56 1a81 h GLU 176 N 0.00 0.00 -0.97 0.20 3.07 -1.99 -3.20 114.58 111.69 1a81 h GLU 176 Ca -0.00 0.00 0.34 0.00 -0.50 0.00 0.00 59.36 59.19 1a81 h GLU 176 Cb 0.83 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.64 1a81 h GLU 176 CO 0.05 0.55 0.62 -1.91 -1.40 0.00 0.00 179.01 176.92 1a81 n GLU 177 N -4.54 -0.03 0.04 2.33 2.13 -1.25 0.12 120.64 119.45 1a81 n GLU 177 Ca -0.19 0.89 -0.02 0.00 0.66 0.00 0.00 57.16 58.50 1a81 n GLU 177 Cb 0.46 -1.75 -0.01 0.00 0.27 0.00 0.00 31.44 30.42 1a81 n GLU 177 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1a81 h SER 178 N 0.00 -0.09 -0.79 4.31 4.64 -1.66 -0.49 113.55 119.47 1a81 h SER 178 Ca 0.62 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 62.08 1a81 h SER 178 Cb 1.99 0.02 -0.14 0.00 -0.31 0.00 0.00 62.40 63.97 1a81 h SER 178 CO -0.34 -0.05 -0.27 -0.62 -0.87 0.00 0.00 176.83 174.69 1a81 n GLU 179 N -2.39 -0.14 0.01 4.77 1.02 0.32 -0.51 120.64 123.72 1a81 n GLU 179 Ca -0.01 1.23 -0.01 0.00 -0.02 0.00 0.00 57.16 58.35 1a81 n GLU 179 Cb 0.04 -1.83 -0.00 0.00 -0.02 0.00 0.00 31.44 29.63 1a81 n GLU 179 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1a81 h GLN 180 N 0.00 -0.03 -1.50 3.49 4.20 -0.84 -1.07 115.11 119.36 1a81 h GLN 180 Ca 0.32 0.00 0.43 0.00 0.06 0.00 0.00 58.65 59.46 1a81 h GLN 180 Cb 0.51 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.24 1a81 h GLN 180 CO -0.80 -0.02 1.23 0.97 -0.67 0.00 0.00 178.83 179.54 1a81 h ILE 181 N -0.03 0.09 0.01 2.54 2.10 0.93 0.78 117.51 123.93 1a81 h ILE 181 Ca -0.00 0.00 -0.30 0.00 1.08 0.00 0.00 64.86 65.63 1a81 h ILE 181 Cb 0.03 0.10 -0.05 0.00 -1.09 0.00 0.00 36.82 35.81 1a81 h ILE 181 CO -0.00 0.00 -1.77 0.52 -1.08 0.00 0.00 178.15 175.82 1a81 n VAL 182 N -3.76 1.62 0.10 2.19 0.31 -0.18 -4.12 118.33 114.50 1a81 n VAL 182 Ca 0.33 -0.78 -0.04 0.00 -0.01 0.00 0.00 64.34 63.84 1a81 n VAL 182 Cb 1.68 -1.10 0.07 0.00 -0.91 0.00 0.00 33.84 33.58 1a81 n VAL 182 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1a81 h LEU 183 N 0.01 0.07-10.11 7.52 4.07 0.44 -3.44 115.31 113.87 1a81 h LEU 183 Ca -0.31 -0.05 -0.55 0.00 0.08 0.00 0.00 57.88 57.05 1a81 h LEU 183 Cb 2.03 -0.02 0.14 0.00 1.08 0.00 0.00 40.66 43.88 1a81 h LEU 183 CO 0.08 0.79 0.50 -0.63 -1.08 0.00 0.00 178.44 178.10 1a81 s ILE 184 N -3.34 2.29 0.05 1.22 1.09 -0.82 -4.71 121.20 116.98 1a81 s ILE 184 Ca -0.01 0.18 0.00 0.00 -1.10 0.00 0.00 60.65 59.72 1a81 s ILE 184 Cb 0.12 -3.07 0.00 0.00 -1.06 0.00 0.00 42.46 38.45 1a81 s ILE 184 CO 0.79 -0.04 0.00 0.61 -0.10 0.00 0.00 174.94 176.20 1a81 n GLY 185 N 0.72 -1.99 3.65 6.18 0.00 -1.26 -4.84 105.19 107.65 1a81 n GLY 185 Ca 0.15 -1.37 -0.50 0.00 0.00 0.00 0.00 46.02 44.30 1a81 n GLY 185 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a81 n SER 186 N -1.16 2.50 -1.38 1.61 3.41 -1.26 -4.89 113.62 112.46 1a81 n SER 186 Ca 0.00 1.08 -0.07 0.00 -0.26 0.00 0.00 58.87 59.63 1a81 n SER 186 Cb 0.11 -1.29 0.04 0.00 -0.26 0.00 0.00 64.21 62.81 1a81 n SER 186 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1a81 n LYS 187 N 3.74 1.34 -1.37 4.33 -0.00 -1.26 -4.94 118.16 119.99 1a81 n LYS 187 Ca 0.19 -0.79 -0.37 0.00 -0.00 0.00 0.00 58.31 57.34 1a81 n LYS 187 Cb 0.23 -1.31 0.06 0.00 -0.00 0.00 0.00 35.03 34.01 1a81 n LYS 187 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1a81 n THR 188 N 0.19 2.32 -1.81 0.58 -2.24 -1.26 -4.77 114.28 107.28 1a81 n THR 188 Ca 0.16 -0.43 -0.32 0.00 -2.27 0.00 0.00 64.05 61.19 1a81 n THR 188 Cb 0.77 -0.83 0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1a81 n THR 188 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1a81 s ASN 189 N -1.39 5.71 0.00 3.42 3.84 -1.26 -3.85 114.94 121.40 1a81 s ASN 189 Ca 0.69 1.65 0.00 0.00 0.21 0.00 0.00 52.86 55.40 1a81 s ASN 189 Cb -0.38 -2.50 0.00 0.00 -0.55 0.00 0.00 41.25 37.82 1a81 s ASN 189 CO 0.54 -1.22 0.00 0.61 -2.79 0.00 0.00 177.10 174.25 1a81 n GLY 190 N -1.76 0.23 3.74 1.21 0.00 0.88 -4.68 105.19 104.81 1a81 n GLY 190 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1a81 n GLY 190 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a81 s LYS 191 N -1.11 2.91 0.17 1.61 2.20 -1.25 -0.41 119.74 123.85 1a81 s LYS 191 Ca 0.00 2.11 -0.24 0.00 -0.36 0.00 0.00 55.97 57.48 1a81 s LYS 191 Cb 0.00 -2.06 0.07 0.00 -1.51 0.00 0.00 37.83 34.33 1a81 s LYS 191 CO 0.00 -1.34 0.98 -0.59 -0.36 0.00 0.00 175.35 174.05 1a81 s PHE 192 N -1.38 -0.06 -0.13 4.03 -0.71 -0.68 0.31 117.98 119.37 1a81 s PHE 192 Ca 0.76 -0.28 -0.32 0.00 -1.04 0.00 0.00 56.93 56.06 1a81 s PHE 192 Cb -0.38 0.66 0.13 0.00 -1.21 0.00 0.00 43.02 42.22 1a81 s PHE 192 CO 0.43 -0.87 1.08 -0.48 -1.34 0.00 0.00 175.22 174.04 1a81 s LEU 193 N -3.07 -0.24 -0.08 -1.99 2.34 0.49 0.51 118.68 116.64 1a81 s LEU 193 Ca 0.15 0.06 0.05 0.00 0.06 0.00 0.00 54.13 54.44 1a81 s LEU 193 Cb -0.02 1.65 -0.00 0.00 -0.56 0.00 0.00 46.19 47.26 1a81 s LEU 193 CO 0.03 -0.37 -0.24 -0.63 -1.06 0.00 0.00 176.35 174.08 1a81 s ILE 194 N -2.40 2.05 0.12 1.48 1.01 0.71 -1.88 121.20 122.29 1a81 s ILE 194 Ca 0.06 -1.04 0.10 0.00 0.00 0.00 0.00 60.65 59.78 1a81 s ILE 194 Cb -0.01 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 1a81 s ILE 194 CO -0.05 0.56 -0.25 0.00 0.00 0.00 0.00 174.94 175.20 1a81 s ARG 195 N 0.13 1.31 0.10 2.79 1.70 -1.13 -0.95 118.95 122.90 1a81 s ARG 195 Ca -0.12 -1.29 -0.22 0.00 -0.47 0.00 0.00 55.73 53.62 1a81 s ARG 195 Cb -0.16 -1.73 -0.07 0.00 -0.57 0.00 0.00 34.95 32.42 1a81 s ARG 195 CO 0.07 0.41 0.67 0.00 -1.08 0.00 0.00 175.30 175.36 1a81 s ALA 196 N -1.12 3.50 0.73 7.88 0.00 -0.47 -1.44 121.76 130.84 1a81 s ALA 196 Ca 0.12 0.18 -0.12 0.00 0.00 0.00 0.00 51.96 52.14 1a81 s ALA 196 Cb -0.10 -2.80 0.03 0.00 0.00 0.00 0.00 23.12 20.25 1a81 s ALA 196 CO 0.06 0.30 1.10 0.50 0.00 0.00 0.00 175.76 177.72 1a81 s ARG 197 N -0.92 2.46 0.22 0.00 6.06 -0.56 -4.01 118.95 122.21 1a81 s ARG 197 Ca 0.33 1.28 0.11 0.00 -2.50 0.00 0.00 55.73 54.95 1a81 s ARG 197 Cb -0.21 -1.92 0.62 0.00 0.06 0.00 0.00 34.95 33.50 1a81 s ARG 197 CO 0.22 -1.50 1.27 -0.25 -2.50 0.00 0.00 175.30 172.54 1a81 n ASP 198 N -3.06 0.29 -1.68 -2.12 9.92 -1.26 -4.61 116.55 114.04 1a81 n ASP 198 Ca 0.10 0.56 0.00 0.00 -0.53 0.00 0.00 54.79 54.91 1a81 n ASP 198 Cb 0.52 -0.55 0.00 0.00 -0.64 0.00 0.00 41.12 40.45 1a81 n ASP 198 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1a81 n ASN 199 N -1.90 0.00 -0.74 -2.24 0.23 -1.26 -5.03 115.26 104.32 1a81 n ASN 199 Ca -0.01 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.08 1a81 n ASN 199 Cb 0.18 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 37.94 1a81 n ASN 199 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1a81 n ASN 200 N 0.00 0.95 0.00 0.53 4.13 -1.26 -4.67 115.26 114.93 1a81 n ASN 200 Ca 0.00 -2.45 0.00 0.00 1.68 0.00 0.00 54.58 53.81 1a81 n ASN 200 Cb 0.00 -0.32 0.00 0.00 -1.54 0.00 0.00 39.78 37.92 1a81 n ASN 200 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1a81 n GLY 201 N -0.26 -2.45 3.03 7.41 0.00 -1.26 -5.09 105.19 106.57 1a81 n GLY 201 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 1a81 n GLY 201 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a81 s SER 202 N 0.00 0.83 0.20 1.61 0.15 -1.26 -2.87 113.70 112.37 1a81 s SER 202 Ca 0.00 -0.37 0.02 0.00 0.70 0.00 0.00 55.95 56.30 1a81 s SER 202 Cb 0.00 -0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.29 1a81 s SER 202 CO 0.00 -0.08 0.22 -1.22 1.20 0.00 0.00 173.24 173.36 1a81 n TYR 203 N 2.06 -0.71 -3.55 3.44 4.02 -1.06 -1.49 117.16 119.88 1a81 n TYR 203 Ca -0.19 -1.59 -0.17 0.00 -0.01 0.00 0.00 57.90 55.95 1a81 n TYR 203 Cb 0.56 0.24 -0.06 0.00 -0.02 0.00 0.00 39.34 40.06 1a81 n TYR 203 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a81 s ALA 204 N -2.61 -1.77 -0.17 -0.72 0.00 -0.52 -2.86 121.76 113.10 1a81 s ALA 204 Ca 0.22 1.53 -0.05 0.00 0.00 0.00 0.00 51.96 53.65 1a81 s ALA 204 Cb 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1a81 s ALA 204 CO 0.15 -0.36 -0.01 -1.17 0.00 0.00 0.00 175.76 174.37 1a81 s LEU 205 N -0.73 3.34 -0.07 0.00 0.20 0.12 -2.82 118.68 118.72 1a81 s LEU 205 Ca -0.08 -0.12 0.01 0.00 0.69 0.00 0.00 54.13 54.63 1a81 s LEU 205 Cb -0.01 -1.82 0.02 0.00 -0.43 0.00 0.00 46.19 43.94 1a81 s LEU 205 CO 0.07 0.14 -0.07 0.00 -0.29 0.00 0.00 176.35 176.20 1a81 s LEU 207 N 1.09 1.78 -0.15 0.00 2.34 -0.73 -0.38 118.68 122.63 1a81 s LEU 207 Ca -0.07 -0.97 -0.13 0.00 0.06 0.00 0.00 54.13 53.02 1a81 s LEU 207 Cb -0.14 0.58 -0.05 0.00 -0.56 0.00 0.00 46.19 46.02 1a81 s LEU 207 CO -0.01 -0.72 0.28 -0.22 -1.06 0.00 0.00 176.35 174.62 1a81 s LEU 208 N -2.95 4.27 -0.30 1.48 2.96 0.15 -0.54 118.68 123.75 1a81 s LEU 208 Ca 0.13 0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 54.55 1a81 s LEU 208 Cb 0.06 -2.35 0.10 0.00 0.50 0.00 0.00 46.19 44.50 1a81 s LEU 208 CO -0.05 0.14 0.11 -2.28 -1.32 0.00 0.00 176.35 172.95 1a81 s HIS 209 N 0.24 1.26 -1.12 5.38 5.65 0.88 -0.08 115.29 127.50 1a81 s HIS 209 Ca 0.16 -1.45 -0.14 0.00 0.25 0.00 0.00 55.06 53.89 1a81 s HIS 209 Cb -0.13 -1.44 -0.03 0.00 -1.18 0.00 0.00 32.58 29.80 1a81 s HIS 209 CO 0.04 -0.85 0.83 0.39 -0.65 0.00 0.00 174.74 174.50 1a81 n GLU 210 N 4.98 -1.86 0.00 2.88 -0.58 -1.26 -1.28 120.64 123.52 1a81 n GLU 210 Ca -0.03 0.61 0.00 0.00 -0.42 0.00 0.00 57.16 57.32 1a81 n GLU 210 Cb 0.42 -4.80 0.00 0.00 -0.57 0.00 0.00 31.44 26.49 1a81 n GLU 210 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a81 n GLY 211 N -1.52 1.54 3.88 0.62 0.00 -1.26 -4.96 105.19 103.50 1a81 n GLY 211 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1a81 n GLY 211 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a81 s LYS 212 N 0.00 3.53 0.11 1.61 2.20 -0.40 -5.08 119.74 121.71 1a81 s LYS 212 Ca 0.00 -0.09 -0.18 0.00 -0.36 0.00 0.00 55.97 55.33 1a81 s LYS 212 Cb 0.00 -3.13 -0.07 0.00 -1.51 0.00 0.00 37.83 33.12 1a81 s LYS 212 CO 0.00 0.70 0.59 0.54 -0.36 0.00 0.00 175.35 176.82 1a81 s VAL 213 N -1.19 4.74 -0.04 4.02 0.11 -1.26 -0.08 120.40 126.70 1a81 s VAL 213 Ca 0.23 1.14 0.04 0.00 -2.93 0.00 0.00 61.98 60.46 1a81 s VAL 213 Cb -0.13 -3.86 -0.00 0.00 -1.53 0.00 0.00 36.38 30.86 1a81 s VAL 213 CO 0.12 0.45 -0.15 -0.76 -3.33 0.00 0.00 175.10 171.43 1a81 s LEU 214 N -1.40 1.86 -0.15 2.54 1.43 0.30 -4.94 118.68 118.33 1a81 s LEU 214 Ca 0.33 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1a81 s LEU 214 Cb -0.18 -0.85 -0.00 0.00 0.03 0.00 0.00 46.19 45.18 1a81 s LEU 214 CO 0.19 0.12 -0.15 -1.00 0.23 0.00 0.00 176.35 175.74 1a81 s HIS 215 N 0.13 2.78 -0.17 0.29 3.76 -1.23 -1.78 115.29 119.06 1a81 s HIS 215 Ca -0.04 -1.00 0.01 0.00 -0.15 0.00 0.00 55.06 53.88 1a81 s HIS 215 Cb -0.11 -1.88 0.01 0.00 1.11 0.00 0.00 32.58 31.71 1a81 s HIS 215 CO 0.02 -0.44 -0.19 0.71 -0.85 0.00 0.00 174.74 173.98 1a81 s TYR 216 N 0.76 2.77 0.14 1.40 2.02 0.20 -4.92 117.35 119.72 1a81 s TYR 216 Ca -0.06 -1.50 -0.31 0.00 -0.37 0.00 0.00 57.07 54.83 1a81 s TYR 216 Cb -0.15 -1.91 -0.09 0.00 -0.40 0.00 0.00 41.96 39.41 1a81 s TYR 216 CO 0.01 -0.73 1.54 0.50 -1.57 0.00 0.00 175.55 175.30 1a81 s ARG 217 N 1.17 4.23 -0.11 -0.62 3.52 -1.26 0.14 118.95 126.02 1a81 s ARG 217 Ca 0.02 2.30 0.03 0.00 -0.13 0.00 0.00 55.73 57.94 1a81 s ARG 217 Cb -0.14 -3.22 0.01 0.00 -1.56 0.00 0.00 34.95 30.04 1a81 s ARG 217 CO -0.09 -0.59 -0.19 0.42 -0.81 0.00 0.00 175.30 174.05 1a81 s ILE 218 N 1.30 1.73 0.05 4.11 1.01 -1.13 -3.75 121.20 124.51 1a81 s ILE 218 Ca 0.69 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 60.58 1a81 s ILE 218 Cb -0.42 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 1a81 s ILE 218 CO 0.31 0.49 -0.11 1.51 0.00 0.00 0.00 174.94 177.14 1a81 s ASP 219 N 0.72 1.21 -0.61 3.58 1.47 -1.19 -2.55 116.67 119.30 1a81 s ASP 219 Ca -0.11 -0.56 -0.18 0.00 1.18 0.00 0.00 52.55 52.87 1a81 s ASP 219 Cb -0.16 -0.01 0.11 0.00 -0.34 0.00 0.00 42.92 42.52 1a81 s ASP 219 CO 0.02 -0.14 0.70 -0.75 0.68 0.00 0.00 175.17 175.69 1a81 s LYS 220 N -1.58 3.07 1.23 2.11 2.20 -1.14 -1.99 119.74 123.65 1a81 s LYS 220 Ca -0.06 -1.41 -0.21 0.00 -0.36 0.00 0.00 55.97 53.93 1a81 s LYS 220 Cb -0.10 -4.30 0.31 0.00 -1.51 0.00 0.00 37.83 32.23 1a81 s LYS 220 CO 0.01 -1.53 1.05 -0.40 -0.36 0.00 0.00 175.35 174.13 1a81 n ASP 221 N 6.17 -2.27 -0.39 1.43 5.75 -1.10 -4.75 116.55 121.39 1a81 n ASP 221 Ca -0.08 -1.13 0.34 0.00 -0.01 0.00 0.00 54.79 53.91 1a81 n ASP 221 Cb 0.43 -0.98 0.61 0.00 -1.03 0.00 0.00 41.12 40.14 1a81 n ASP 221 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 1a81 h LYS 222 N 0.00 0.06 0.00 0.11 5.09 -1.96 -0.44 116.57 119.43 1a81 h LYS 222 Ca -0.40 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.33 1a81 h LYS 222 Cb 1.24 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 33.55 1a81 h LYS 222 CO 0.26 0.04 0.00 2.41 -2.09 0.00 0.00 179.45 180.07 1a81 n THR 223 N -4.95 0.65 -1.16 0.07 -1.04 -1.26 -4.87 114.28 101.72 1a81 n THR 223 Ca 0.38 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 1a81 n THR 223 Cb 1.36 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 1a81 n THR 223 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a81 n GLY 224 N 0.79 0.78 3.24 3.41 0.00 -0.17 -5.04 105.19 108.20 1a81 n GLY 224 Ca 0.04 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 1a81 n GLY 224 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a81 s LYS 225 N -2.53 3.20 0.14 1.61 3.01 -1.26 -4.81 119.74 119.10 1a81 s LYS 225 Ca 0.00 -0.74 -0.30 0.00 -1.01 0.00 0.00 55.97 53.92 1a81 s LYS 225 Cb 0.00 -2.71 -0.07 0.00 -1.01 0.00 0.00 37.83 34.04 1a81 s LYS 225 CO 0.00 -0.09 1.08 -0.51 0.51 0.00 0.00 175.35 176.34 1a81 s LEU 226 N 1.10 4.47 -0.28 3.17 1.02 0.16 -2.70 118.68 125.62 1a81 s LEU 226 Ca 0.00 2.01 -0.23 0.00 0.02 0.00 0.00 54.13 55.93 1a81 s LEU 226 Cb -0.14 -3.60 0.12 0.00 0.02 0.00 0.00 46.19 42.59 1a81 s LEU 226 CO -0.04 -0.23 0.99 -0.94 0.02 0.00 0.00 176.35 176.16 1a81 s SER 227 N 0.12 -0.49 0.33 2.29 1.04 -0.84 -0.84 113.70 115.30 1a81 s SER 227 Ca 0.50 0.91 -0.29 0.00 0.48 0.00 0.00 55.95 57.55 1a81 s SER 227 Cb -0.28 0.99 -0.11 0.00 0.10 0.00 0.00 66.02 66.72 1a81 s SER 227 CO 0.33 -0.15 1.43 -0.63 0.98 0.00 0.00 173.24 175.19 1a81 s ILE 228 N 0.50 2.39 0.12 -1.02 1.01 -1.26 -3.17 121.20 119.77 1a81 s ILE 228 Ca 0.00 0.37 -0.35 0.00 0.00 0.00 0.00 60.65 60.67 1a81 s ILE 228 Cb -0.05 -3.23 -0.17 0.00 0.01 0.00 0.00 42.46 39.02 1a81 s ILE 228 CO -0.08 0.08 1.20 -2.65 0.00 0.00 0.00 174.94 173.49 1a81 n PRO 229 N 1.09 1.02 -0.95 2.79 -0.02 -1.25 0.82 135.00 138.50 1a81 n PRO 229 Ca 0.02 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1a81 n PRO 229 Cb 0.40 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1a81 n PRO 229 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1a81 n GLU 230 N 2.01 -0.19 -4.12 -0.52 -0.58 -1.26 -5.01 120.64 110.96 1a81 n GLU 230 Ca 0.17 0.05 -0.28 0.00 -0.42 0.00 0.00 57.16 56.68 1a81 n GLU 230 Cb 0.21 -3.14 -0.03 0.00 -0.57 0.00 0.00 31.44 27.91 1a81 n GLU 230 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1a81 s GLY 231 N -2.00 2.53 0.83 0.62 0.00 0.24 -5.10 107.32 104.44 1a81 s GLY 231 Ca 0.00 -1.11 -0.14 0.00 0.00 0.00 0.00 44.72 43.47 1a81 s GLY 231 CO 0.00 -2.00 0.85 1.17 0.00 0.00 0.00 173.10 173.12 1a81 n LYS 232 N -1.59 0.04 -4.60 2.90 4.81 -1.26 -4.67 118.16 113.79 1a81 n LYS 232 Ca -0.06 0.08 -0.33 0.00 -0.87 0.00 0.00 58.31 57.13 1a81 n LYS 232 Cb 0.65 -2.15 -0.15 0.00 0.02 0.00 0.00 35.03 33.40 1a81 n LYS 232 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1a81 s LYS 233 N -3.73 3.33 0.25 1.64 1.02 -1.26 -4.33 119.74 116.66 1a81 s LYS 233 Ca 0.67 -0.70 0.11 0.00 0.02 0.00 0.00 55.97 56.07 1a81 s LYS 233 Cb -0.28 -2.67 -0.05 0.00 -0.52 0.00 0.00 37.83 34.32 1a81 s LYS 233 CO 0.57 0.11 -0.20 -0.06 -0.92 0.00 0.00 175.35 174.85 1a81 s PHE 234 N 0.62 2.20 -0.01 3.18 0.40 -0.02 -4.78 117.98 119.58 1a81 s PHE 234 Ca -0.07 -0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 55.88 1a81 s PHE 234 Cb -0.16 -0.99 -0.27 0.00 0.51 0.00 0.00 43.02 42.12 1a81 s PHE 234 CO 0.03 0.62 0.82 -0.44 0.70 0.00 0.00 175.22 176.94 1a81 h ASP 235 N 2.53 0.33 -4.94 1.36 3.32 -1.82 0.46 116.42 117.66 1a81 h ASP 235 Ca -0.41 -0.49 -0.27 0.00 0.02 0.00 0.00 57.03 55.88 1a81 h ASP 235 Cb 1.24 -0.11 -0.15 0.00 0.22 0.00 0.00 39.33 40.54 1a81 h ASP 235 CO 0.57 1.41 -0.64 0.42 -1.72 0.00 0.00 179.24 179.29 1a81 s THR 236 N -2.61 0.37 0.04 0.35 -4.23 -1.26 -4.58 115.64 103.71 1a81 s THR 236 Ca -0.09 -1.97 -0.11 0.00 -1.18 0.00 0.00 61.69 58.33 1a81 s THR 236 Cb 0.07 -2.32 -0.33 0.00 1.34 0.00 0.00 72.50 71.27 1a81 s THR 236 CO 0.84 -0.25 1.01 -0.07 -0.54 0.00 0.00 174.62 175.61 1a81 h LEU 237 N 2.64 0.68 -1.05 4.79 3.38 -1.92 -2.97 115.31 120.86 1a81 h LEU 237 Ca -0.37 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 56.85 1a81 h LEU 237 Cb 1.22 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1a81 h LEU 237 CO 0.59 1.60 0.34 4.11 0.09 0.00 0.00 178.44 185.18 1a81 h TRP 238 N 0.12 0.00 0.00 1.13 5.08 -1.97 -0.53 115.95 119.78 1a81 h TRP 238 Ca -0.23 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.74 1a81 h TRP 238 Cb 2.10 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 28.26 1a81 h TRP 238 CO 0.10 0.00 -0.21 1.96 -1.28 0.00 0.00 178.44 179.01 1a81 h GLN 239 N 0.00 0.00 -0.97 0.12 4.20 -1.89 -3.29 115.11 113.28 1a81 h GLN 239 Ca 0.00 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.85 1a81 h GLN 239 Cb 0.68 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.32 1a81 h GLN 239 CO 0.00 0.00 -0.43 -0.11 -0.67 0.00 0.00 178.83 177.62 1a81 n LEU 240 N -3.61 -0.73 0.00 1.46 0.00 -0.31 -1.32 117.00 112.50 1a81 n LEU 240 Ca -0.03 1.71 0.00 0.00 0.00 0.00 0.00 56.01 57.69 1a81 n LEU 240 Cb 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 43.42 43.18 1a81 n LEU 240 CO 0.04 -1.50 0.29 0.52 0.00 0.00 0.00 177.39 176.75 1a81 n VAL 241 N -5.38 0.00 -0.32 1.96 0.31 -0.60 0.18 118.33 114.47 1a81 n VAL 241 Ca 0.08 1.08 0.27 0.00 -0.01 0.00 0.00 64.34 65.76 1a81 n VAL 241 Cb 0.36 -1.88 0.41 0.00 -0.91 0.00 0.00 33.84 31.82 1a81 n VAL 241 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1a81 n GLU 242 N -0.99 0.00 -0.03 5.55 2.13 -0.83 0.17 120.64 126.65 1a81 n GLU 242 Ca 0.00 0.63 -0.01 0.00 0.66 0.00 0.00 57.16 58.44 1a81 n GLU 242 Cb 0.00 -1.48 -0.00 0.00 0.27 0.00 0.00 31.44 30.22 1a81 n GLU 242 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1a81 h HIS 243 N 0.00 0.00 0.00 4.31 2.76 -0.51 -3.36 115.15 118.35 1a81 h HIS 243 Ca 0.47 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.64 1a81 h HIS 243 Cb 2.07 0.00 0.00 0.00 1.55 0.00 0.00 27.41 31.03 1a81 h HIS 243 CO 0.00 0.00 0.02 0.66 -1.30 0.00 0.00 177.93 177.31 1a81 n TYR 244 N -3.42 0.56 1.21 5.26 4.01 0.46 0.72 117.16 125.96 1a81 n TYR 244 Ca -0.01 0.29 0.04 0.00 -0.16 0.00 0.00 57.90 58.06 1a81 n TYR 244 Cb 0.05 -0.96 0.11 0.00 -0.31 0.00 0.00 39.34 38.23 1a81 n TYR 244 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1a81 n SER 245 N -2.08 1.33 0.00 7.72 7.64 0.24 -2.53 113.62 125.94 1a81 n SER 245 Ca -0.01 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 57.86 1a81 n SER 245 Cb 0.04 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1a81 n SER 245 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a81 n TYR 246 N 0.20 0.00 -3.68 1.43 4.19 0.22 -4.65 117.16 114.87 1a81 n TYR 246 Ca 0.08 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 61.14 1a81 n TYR 246 Cb 0.21 0.00 -0.14 0.00 0.49 0.00 0.00 39.34 39.90 1a81 n TYR 246 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 1a81 s LYS 247 N -1.66 0.10 0.49 2.98 2.20 -0.87 -4.99 119.74 117.97 1a81 s LYS 247 Ca 0.00 0.59 0.30 0.00 -0.36 0.00 0.00 55.97 56.50 1a81 s LYS 247 Cb 0.00 -0.16 1.39 0.00 -1.51 0.00 0.00 37.83 37.54 1a81 s LYS 247 CO 0.00 -0.26 1.78 0.00 -0.36 0.00 0.00 175.35 176.51 1a81 h ALA 248 N 8.04 2.79 -1.84 3.13 0.00 -1.80 -3.39 119.26 126.19 1a81 h ALA 248 Ca -0.21 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1a81 h ALA 248 Cb 1.12 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1a81 h ALA 248 CO 0.21 -1.18 -0.04 -3.47 0.00 0.00 0.00 179.25 174.77 1a81 n ASP 249 N -4.37 -0.54 0.00 0.00 2.03 -1.26 -0.28 116.55 112.13 1a81 n ASP 249 Ca 0.26 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.62 1a81 n ASP 249 Cb 1.14 -0.93 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 1a81 n ASP 249 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a81 n GLY 250 N -0.03 1.31 3.63 0.27 0.00 -1.26 -4.91 105.19 104.20 1a81 n GLY 250 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1a81 n GLY 250 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a81 s LEU 251 N 0.00 1.18 0.00 0.99 1.43 0.62 -4.92 118.68 117.97 1a81 s LEU 251 Ca 0.00 1.03 0.28 0.00 -1.03 0.00 0.00 54.13 54.41 1a81 s LEU 251 Cb 0.00 -3.03 1.16 0.00 0.03 0.00 0.00 46.19 44.35 1a81 s LEU 251 CO 0.00 -3.58 1.82 -0.11 0.23 0.00 0.00 176.35 174.71 1a81 n LEU 252 N -4.45 0.44 -3.67 1.79 -0.00 -1.26 -4.87 117.00 104.98 1a81 n LEU 252 Ca 0.07 0.05 0.01 0.00 -0.00 0.00 0.00 56.01 56.14 1a81 n LEU 252 Cb 0.58 -0.22 -0.00 0.00 -0.00 0.00 0.00 43.42 43.78 1a81 n LEU 252 CO 0.54 0.08 1.00 0.00 -0.00 0.00 0.00 177.39 179.01 1a81 s ARG 253 N -2.57 0.55 0.33 1.96 1.70 -1.26 -5.10 118.95 114.57 1a81 s ARG 253 Ca 0.26 -0.31 -0.06 0.00 -0.47 0.00 0.00 55.73 55.15 1a81 s ARG 253 Cb 0.20 0.19 -0.05 0.00 -0.57 0.00 0.00 34.95 34.71 1a81 s ARG 253 CO 0.50 -0.25 0.62 0.54 -1.08 0.00 0.00 175.30 175.63 1a81 s VAL 254 N -2.54 4.96 0.40 4.99 0.11 -1.26 -4.55 120.40 122.50 1a81 s VAL 254 Ca 0.15 0.19 -0.25 0.00 -2.93 0.00 0.00 61.98 59.14 1a81 s VAL 254 Cb 0.03 -3.75 -0.09 0.00 -1.53 0.00 0.00 36.38 31.05 1a81 s VAL 254 CO -0.02 -0.42 1.12 -0.76 -3.33 0.00 0.00 175.10 171.69 1a81 s LEU 255 N -3.74 4.18 0.00 2.54 1.43 -1.05 -4.59 118.68 117.45 1a81 s LEU 255 Ca 0.46 2.22 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 1a81 s LEU 255 Cb -0.10 -4.07 0.00 0.00 0.03 0.00 0.00 46.19 42.04 1a81 s LEU 255 CO 0.31 -0.59 0.00 0.35 0.23 0.00 0.00 176.35 176.65 1a81 n THR 256 N 0.05 0.00 -3.34 5.49 -2.24 0.45 -4.63 114.28 110.06 1a81 n THR 256 Ca 0.04 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.47 1a81 n THR 256 Cb 0.48 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 1a81 n THR 256 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1a81 s VAL 257 N 1.64 4.84 -0.25 2.28 -7.23 -1.26 -4.93 120.40 115.50 1a81 s VAL 257 Ca 0.00 0.83 -0.23 0.00 -1.81 0.00 0.00 61.98 60.77 1a81 s VAL 257 Cb 0.00 -3.73 -0.01 0.00 0.56 0.00 0.00 36.38 33.20 1a81 s VAL 257 CO 0.00 0.20 0.78 -2.16 -0.31 0.00 0.00 175.10 173.61 1a81 s PRO 258 N -2.06 4.16 0.23 4.82 0.04 -1.26 -1.68 135.00 139.25 1a81 s PRO 258 Ca 0.39 0.84 -0.28 0.00 0.04 0.00 0.00 61.00 61.99 1a81 s PRO 258 Cb -0.15 -3.65 -0.16 0.00 0.04 0.00 0.00 34.50 30.59 1a81 s PRO 258 CO 0.19 -0.49 0.72 0.00 0.04 0.00 0.00 177.00 177.46 1a81 s GLN 260 N -1.17 3.64 -0.11 0.00 -1.52 -1.26 -4.56 119.66 114.68 1a81 s GLN 260 Ca 0.63 1.16 -0.05 0.00 -1.95 0.00 0.00 55.36 55.15 1a81 s GLN 260 Cb -0.85 -2.08 -0.04 0.00 -0.22 0.00 0.00 33.01 29.82 1a81 s GLN 260 CO 0.57 -0.54 0.07 -1.59 -0.25 0.00 0.00 175.29 173.56 1a81 s LYS 261 N -3.85 3.31 0.00 2.91 -2.85 -1.26 -4.95 119.74 113.05 1a81 s LYS 261 Ca 0.63 -0.28 0.00 0.00 -1.00 0.00 0.00 55.97 55.32 1a81 s LYS 261 Cb -0.14 -3.02 0.00 0.00 -2.06 0.00 0.00 37.83 32.61 1a81 s LYS 261 CO 0.30 0.68 0.00 -0.89 0.10 0.00 0.00 175.35 175.55