#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a5m s LYS 2 N 0.00 2.47 0.00 4.33 1.02 -1.26 -4.89 119.74 121.41 2a5m s LYS 2 Ca 0.00 0.32 0.00 0.00 0.02 0.00 0.00 55.97 56.31 2a5m s LYS 2 Cb 0.00 -4.70 0.00 0.00 -0.52 0.00 0.00 37.83 32.61 2a5m s LYS 2 CO 0.00 -3.16 0.00 0.25 -0.92 0.00 0.00 175.35 171.52 2a5m n THR 3 N 7.66 0.00 0.00 2.17 -2.24 -1.26 -5.13 114.28 115.48 2a5m n THR 3 Ca 0.31 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 2a5m n THR 3 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 2a5m n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a5m n GLY 4 N 5.00 -1.61 3.80 3.38 0.00 -1.26 -5.15 105.19 109.35 2a5m n GLY 4 Ca 0.00 0.95 -0.34 0.00 0.00 0.00 0.00 46.02 46.63 2a5m n GLY 4 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a5m s GLY 5 N 0.00 2.52 -0.15 -0.02 0.00 -1.26 -4.72 107.32 103.68 2a5m s GLY 5 Ca 0.00 0.50 -0.12 0.00 0.00 0.00 0.00 44.72 45.10 2a5m s GLY 5 CO 0.00 0.83 0.39 1.25 0.00 0.00 0.00 173.10 175.57 2a5m s LYS 6 N -2.95 0.42 -0.01 2.90 2.20 -0.70 -4.59 119.74 117.01 2a5m s LYS 6 Ca 0.61 0.62 0.04 0.00 -0.36 0.00 0.00 55.97 56.88 2a5m s LYS 6 Cb -0.14 0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.30 2a5m s LYS 6 CO 0.18 -0.09 -0.14 -1.50 -0.36 0.00 0.00 175.35 173.44 2a5m s ILE 7 N 0.64 1.10 -0.09 5.43 2.07 -0.91 -1.18 121.20 128.26 2a5m s ILE 7 Ca -0.04 -0.63 0.04 0.00 -1.41 0.00 0.00 60.65 58.61 2a5m s ILE 7 Cb -0.05 -0.92 0.00 0.00 0.13 0.00 0.00 42.46 41.62 2a5m s ILE 7 CO -0.04 0.28 -0.21 -0.55 -1.91 0.00 0.00 174.94 172.51 2a5m s SER 8 N -0.40 2.75 -0.09 4.50 0.15 0.61 -1.43 113.70 119.78 2a5m s SER 8 Ca 0.05 -0.49 -0.01 0.00 0.70 0.00 0.00 55.95 56.20 2a5m s SER 8 Cb -0.06 -1.26 -0.03 0.00 -1.71 0.00 0.00 66.02 62.96 2a5m s SER 8 CO -0.00 0.13 -0.03 -0.36 1.20 0.00 0.00 173.24 174.18 2a5m s PHE 9 N 0.43 3.07 -0.03 3.44 0.40 0.14 -0.32 117.98 125.10 2a5m s PHE 9 Ca -0.18 0.07 0.06 0.00 -0.60 0.00 0.00 56.93 56.29 2a5m s PHE 9 Cb -0.17 -1.79 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 2a5m s PHE 9 CO 0.08 0.35 -0.22 0.71 0.70 0.00 0.00 175.22 176.84 2a5m s TYR 10 N -0.68 2.05 0.28 0.36 1.51 0.82 -1.06 117.35 120.63 2a5m s TYR 10 Ca 0.11 -0.45 0.17 0.00 -1.01 0.00 0.00 57.07 55.89 2a5m s TYR 10 Cb -0.12 -1.33 0.78 0.00 -0.11 0.00 0.00 41.96 41.19 2a5m s TYR 10 CO 0.02 -0.08 1.80 0.93 -1.11 0.00 0.00 175.55 177.12 2a5m h GLU 11 N 5.73 0.00 -5.81 -0.62 5.08 -1.44 0.21 114.58 117.73 2a5m h GLU 11 Ca -0.38 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.39 2a5m h GLU 11 Cb 1.14 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.30 2a5m h GLU 11 CO 0.47 0.36 -0.51 -0.51 -1.00 0.00 0.00 179.01 177.82 2a5m s ASP 12 N -6.59 4.30 0.65 1.42 1.11 -0.59 -3.45 116.67 113.53 2a5m s ASP 12 Ca -0.01 -1.18 -0.13 0.00 0.18 0.00 0.00 52.55 51.41 2a5m s ASP 12 Cb 0.13 -0.38 -0.01 0.00 1.07 0.00 0.00 42.92 43.73 2a5m s ASP 12 CO 0.69 -0.56 1.07 -0.13 1.18 0.00 0.00 175.17 177.41 2a5m s ARG 13 N -3.88 3.03 -1.07 8.23 3.00 -1.26 -3.62 118.95 123.38 2a5m s ARG 13 Ca 0.38 1.13 -0.03 0.00 0.00 0.00 0.00 55.73 57.20 2a5m s ARG 13 Cb 0.05 -2.00 0.00 0.00 0.00 0.00 0.00 34.95 33.00 2a5m s ARG 13 CO 0.21 -1.03 0.44 0.09 0.00 0.00 0.00 175.30 175.01 2a5m n ASN 14 N -2.61 -4.74 -3.99 0.23 4.13 0.10 -3.07 115.26 105.31 2a5m n ASN 14 Ca 0.08 -0.21 -0.29 0.00 1.68 0.00 0.00 54.58 55.85 2a5m n ASN 14 Cb 0.53 -3.59 -0.01 0.00 -1.54 0.00 0.00 39.78 35.17 2a5m n ASN 14 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 2a5m n PHE 15 N -4.13 -1.85 -4.09 3.10 -1.74 -1.25 -4.98 117.46 102.53 2a5m n PHE 15 Ca -0.08 0.81 -0.23 0.00 -0.56 0.00 0.00 57.45 57.39 2a5m n PHE 15 Cb 0.58 -3.66 -0.06 0.00 1.52 0.00 0.00 39.48 37.86 2a5m n PHE 15 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 2a5m s GLN 16 N -6.60 2.34 0.75 3.97 -0.21 -1.18 -5.01 119.66 113.72 2a5m s GLN 16 Ca 0.35 -1.62 0.00 0.00 0.02 0.00 0.00 55.36 54.11 2a5m s GLN 16 Cb -0.18 -2.14 0.00 0.00 1.00 0.00 0.00 33.01 31.69 2a5m s GLN 16 CO 0.88 0.05 0.00 0.41 -2.12 0.00 0.00 175.29 174.51 2a5m n GLY 17 N -1.18 -1.85 3.77 3.09 0.00 -1.26 -1.54 105.19 106.22 2a5m n GLY 17 Ca -0.02 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 2a5m n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a5m s ARG 18 N 0.00 4.09 0.09 1.61 3.52 -1.26 -4.74 118.95 122.26 2a5m s ARG 18 Ca 0.00 1.97 0.10 0.00 -0.13 0.00 0.00 55.73 57.66 2a5m s ARG 18 Cb 0.00 -2.77 -0.04 0.00 -1.56 0.00 0.00 34.95 30.59 2a5m s ARG 18 CO 0.00 -0.33 -0.25 0.50 -0.81 0.00 0.00 175.30 174.42 2a5m s ARG 19 N -2.18 1.65 -0.07 5.12 3.52 -1.26 -1.76 118.95 123.97 2a5m s ARG 19 Ca 0.55 -1.21 0.01 0.00 -0.13 0.00 0.00 55.73 54.95 2a5m s ARG 19 Cb -0.34 -1.99 0.02 0.00 -1.56 0.00 0.00 34.95 31.09 2a5m s ARG 19 CO 0.43 0.48 -0.06 -0.47 -0.81 0.00 0.00 175.30 174.87 2a5m s TYR 20 N -0.98 1.02 -0.09 5.12 5.04 -0.22 -4.96 117.35 122.28 2a5m s TYR 20 Ca 0.14 -0.37 0.01 0.00 -2.44 0.00 0.00 57.07 54.41 2a5m s TYR 20 Cb -0.10 -0.88 -0.03 0.00 0.35 0.00 0.00 41.96 41.31 2a5m s TYR 20 CO 0.05 -0.29 -0.10 -0.51 -1.34 0.00 0.00 175.55 173.37 2a5m s ASP 21 N 1.17 4.38 -0.02 4.32 1.11 -1.26 -0.68 116.67 125.68 2a5m s ASP 21 Ca -0.07 -0.15 0.03 0.00 0.18 0.00 0.00 52.55 52.55 2a5m s ASP 21 Cb -0.14 -1.28 -0.00 0.00 1.07 0.00 0.00 42.92 42.57 2a5m s ASP 21 CO -0.01 0.29 -0.12 0.00 1.18 0.00 0.00 175.17 176.50 2a5m n ASP 23 N 3.04 2.40 -3.44 0.00 5.75 -1.26 -2.13 116.55 120.91 2a5m n ASP 23 Ca -0.16 -2.09 -0.09 0.00 -0.01 0.00 0.00 54.79 52.44 2a5m n ASP 23 Cb 0.55 -0.12 -0.01 0.00 -1.03 0.00 0.00 41.12 40.51 2a5m n ASP 23 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2a5m s ASP 25 N -3.02 5.66 -0.13 0.00 1.47 -1.26 -4.77 116.67 114.62 2a5m s ASP 25 Ca 0.16 2.75 -0.01 0.00 1.18 0.00 0.00 52.55 56.63 2a5m s ASP 25 Cb -0.04 -2.64 0.04 0.00 -0.34 0.00 0.00 42.92 39.93 2a5m s ASP 25 CO 0.10 -1.30 -0.02 0.00 0.68 0.00 0.00 175.17 174.63 2a5m h ALA 27 N 8.22 0.85 -1.52 0.00 0.00 -1.88 -1.51 119.26 123.41 2a5m h ALA 27 Ca -0.22 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 2a5m h ALA 27 Cb 1.12 -0.05 -0.27 0.00 0.00 0.00 0.00 17.79 18.59 2a5m h ALA 27 CO 0.34 0.43 -0.49 0.34 0.00 0.00 0.00 179.25 179.87 2a5m s ASP 28 N -6.33 -0.16 -0.00 0.00 -1.08 -1.25 -2.18 116.67 105.66 2a5m s ASP 28 Ca 0.03 -0.17 0.17 0.00 -0.52 0.00 0.00 52.55 52.06 2a5m s ASP 28 Cb 0.08 1.36 0.49 0.00 -1.46 0.00 0.00 42.92 43.40 2a5m s ASP 28 CO 0.69 -0.34 1.41 2.22 0.52 0.00 0.00 175.17 179.68 2a5m n PHE 29 N 5.37 0.75 0.32 -5.34 -1.74 -1.06 -4.51 117.46 111.24 2a5m n PHE 29 Ca 0.01 -0.50 0.19 0.00 -0.56 0.00 0.00 57.45 56.60 2a5m n PHE 29 Cb 0.51 -0.02 1.07 0.00 1.52 0.00 0.00 39.48 42.56 2a5m n PHE 29 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2a5m h ARG 30 N 3.23 0.00 0.00 3.97 3.08 -1.76 -0.45 114.38 122.45 2a5m h ARG 30 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2a5m h ARG 30 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.93 2a5m h ARG 30 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 179.97 179.67 2a5m h SER 31 N 0.00 0.00 0.00 7.04 0.02 -1.97 -3.16 113.55 115.48 2a5m h SER 31 Ca 0.01 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2a5m h SER 31 Cb 0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2a5m h SER 31 CO -0.00 0.00 -1.92 -1.22 -1.14 0.00 0.00 176.83 172.55 2a5m n TYR 32 N -2.61 0.00 -3.70 3.45 4.01 -0.23 -4.95 117.16 113.13 2a5m n TYR 32 Ca 0.03 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.67 2a5m n TYR 32 Cb 0.38 -0.51 -0.11 0.00 -0.31 0.00 0.00 39.34 38.78 2a5m n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2a5m s LEU 33 N -4.49 -0.03 0.00 7.72 2.96 -0.89 -4.83 118.68 119.11 2a5m s LEU 33 Ca -0.07 0.83 0.27 0.00 -0.22 0.00 0.00 54.13 54.94 2a5m s LEU 33 Cb 0.11 1.24 0.82 0.00 0.50 0.00 0.00 46.19 48.85 2a5m s LEU 33 CO 0.76 -0.19 1.64 -0.24 -1.32 0.00 0.00 176.35 177.00 2a5m n SER 34 N 4.32 0.29 -3.60 3.68 2.88 -1.26 -4.19 113.62 115.74 2a5m n SER 34 Ca -0.23 0.08 -0.04 0.00 -1.33 0.00 0.00 58.87 57.35 2a5m n SER 34 Cb 0.55 -0.08 -0.02 0.00 -0.75 0.00 0.00 64.21 63.91 2a5m n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a5m s ARG 35 N -3.00 0.62 -0.13 -1.46 1.70 -1.26 -4.95 118.95 110.46 2a5m s ARG 35 Ca 0.12 -0.28 -0.04 0.00 -0.47 0.00 0.00 55.73 55.06 2a5m s ARG 35 Cb 0.18 0.25 0.06 0.00 -0.57 0.00 0.00 34.95 34.87 2a5m s ARG 35 CO 0.63 -0.28 0.11 0.00 -1.08 0.00 0.00 175.30 174.68 2a5m n ASN 37 N 5.30 1.67 -3.67 0.00 3.02 0.72 -4.52 115.26 117.78 2a5m n ASN 37 Ca -0.05 -1.34 -0.14 0.00 -0.03 0.00 0.00 54.58 53.02 2a5m n ASN 37 Cb 0.49 0.37 -0.07 0.00 -0.61 0.00 0.00 39.78 39.96 2a5m n ASN 37 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2a5m s SER 38 N -1.65 -0.33 -0.02 6.41 0.15 -1.01 0.82 113.70 118.07 2a5m s SER 38 Ca 0.13 0.16 -0.09 0.00 0.70 0.00 0.00 55.95 56.85 2a5m s SER 38 Cb 0.12 0.41 0.01 0.00 -1.71 0.00 0.00 66.02 64.85 2a5m s SER 38 CO 0.33 -0.59 0.20 -0.63 1.20 0.00 0.00 173.24 173.75 2a5m s ILE 39 N -1.88 0.06 -0.10 6.45 1.01 -0.81 -0.13 121.20 125.79 2a5m s ILE 39 Ca -0.09 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.10 2a5m s ILE 39 Cb -0.02 -0.46 0.01 0.00 0.01 0.00 0.00 42.46 42.00 2a5m s ILE 39 CO 0.02 -0.26 -0.16 -0.60 0.00 0.00 0.00 174.94 173.94 2a5m s ARG 40 N -1.04 2.24 -0.31 2.79 3.52 0.56 -1.23 118.95 125.48 2a5m s ARG 40 Ca -0.11 -0.58 -0.09 0.00 -0.13 0.00 0.00 55.73 54.82 2a5m s ARG 40 Cb -0.06 -1.88 0.00 0.00 -1.56 0.00 0.00 34.95 31.45 2a5m s ARG 40 CO 0.02 -0.04 0.14 0.08 -0.81 0.00 0.00 175.30 174.69 2a5m s VAL 41 N 0.91 4.42 0.02 7.11 1.01 0.55 -0.29 120.40 134.13 2a5m s VAL 41 Ca -0.08 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.36 2a5m s VAL 41 Cb -0.15 -3.29 -0.26 0.00 0.00 0.00 0.00 36.38 32.68 2a5m s VAL 41 CO -0.00 0.03 0.91 -0.08 0.00 0.00 0.00 175.10 175.96 2a5m h GLU 42 N 8.33 0.18 -1.89 2.72 4.81 -1.39 -2.06 114.58 125.26 2a5m h GLU 42 Ca -0.31 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 58.59 2a5m h GLU 42 Cb 1.14 0.11 -0.20 0.00 0.63 0.00 0.00 28.75 30.43 2a5m h GLU 42 CO 0.62 1.02 0.28 0.20 -0.73 0.00 0.00 179.01 180.40 2a5m s GLY 43 N -4.92 -0.50 0.00 1.92 0.00 -1.17 -4.84 107.32 97.81 2a5m s GLY 43 Ca -0.07 1.50 0.00 0.00 0.00 0.00 0.00 44.72 46.15 2a5m s GLY 43 CO 0.84 0.97 0.00 0.61 0.00 0.00 0.00 173.10 175.52 2a5m n GLY 44 N 0.85 -1.15 3.31 0.20 0.00 -1.26 -1.72 105.19 105.42 2a5m n GLY 44 Ca -0.17 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 2a5m n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a5m s THR 45 N -1.66 2.29 0.14 2.61 2.01 -1.26 -3.13 115.64 116.64 2a5m s THR 45 Ca 0.00 -0.99 0.08 0.00 0.31 0.00 0.00 61.69 61.09 2a5m s THR 45 Cb 0.00 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 2a5m s THR 45 CO 0.00 0.57 -0.18 0.26 -0.69 0.00 0.00 174.62 174.58 2a5m s TRP 46 N -0.25 1.72 -0.13 4.92 0.52 -0.59 0.11 118.94 125.23 2a5m s TRP 46 Ca -0.00 -0.47 -0.03 0.00 0.02 0.00 0.00 56.10 55.61 2a5m s TRP 46 Cb -0.13 -0.89 -0.03 0.00 -1.15 0.00 0.00 33.47 31.27 2a5m s TRP 46 CO 0.03 0.25 -0.02 0.00 0.02 0.00 0.00 176.95 177.23 2a5m s ALA 47 N -1.80 3.11 0.01 0.98 0.00 0.89 0.55 121.76 125.50 2a5m s ALA 47 Ca 0.11 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.33 2a5m s ALA 47 Cb -0.07 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 2a5m s ALA 47 CO 0.05 0.33 -0.22 0.14 0.00 0.00 0.00 175.76 176.06 2a5m s VAL 48 N -0.02 2.45 0.06 0.00 -7.23 -0.16 -0.74 120.40 114.77 2a5m s VAL 48 Ca 0.02 -1.13 0.09 0.00 -1.81 0.00 0.00 61.98 59.15 2a5m s VAL 48 Cb -0.13 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 2a5m s VAL 48 CO 0.02 0.47 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.72 2a5m s TYR 49 N -0.76 2.19 0.30 2.82 1.51 -0.27 -1.56 117.35 121.58 2a5m s TYR 49 Ca 0.12 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.82 2a5m s TYR 49 Cb -0.10 -1.28 0.48 0.00 -0.11 0.00 0.00 41.96 40.95 2a5m s TYR 49 CO 0.02 0.16 1.76 1.49 -1.11 0.00 0.00 175.55 177.87 2a5m h GLU 50 N 4.60 0.44 -5.98 -0.62 4.81 -1.29 -1.64 114.58 114.90 2a5m h GLU 50 Ca -0.47 -0.15 -0.55 0.00 -0.13 0.00 0.00 59.36 58.07 2a5m h GLU 50 Cb 1.15 -0.03 -0.15 0.00 0.63 0.00 0.00 28.75 30.35 2a5m h GLU 50 CO 0.43 0.64 -0.76 1.03 -0.73 0.00 0.00 179.01 179.61 2a5m s ARG 51 N -4.55 1.50 1.07 1.92 3.00 -0.59 -2.83 118.95 118.47 2a5m s ARG 51 Ca -0.07 -1.65 -0.15 0.00 0.00 0.00 0.00 55.73 53.86 2a5m s ARG 51 Cb 0.14 -1.50 0.13 0.00 0.00 0.00 0.00 34.95 33.72 2a5m s ARG 51 CO 0.78 0.28 0.41 -0.35 0.00 0.00 0.00 175.30 176.41 2a5m n PRO 52 N -0.37 -1.35 -3.02 3.54 -0.04 -1.26 -2.81 135.00 129.70 2a5m n PRO 52 Ca -0.07 -0.36 -0.19 0.00 -0.04 0.00 0.00 63.50 62.83 2a5m n PRO 52 Cb 0.59 -1.89 0.04 0.00 -0.04 0.00 0.00 33.50 32.20 2a5m n PRO 52 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2a5m n ASN 53 N -2.46 -5.46 -4.02 3.54 3.02 -0.93 -3.12 115.26 105.83 2a5m n ASN 53 Ca 0.04 -0.29 -0.30 0.00 -0.03 0.00 0.00 54.58 54.00 2a5m n ASN 53 Cb 0.57 -4.24 -0.03 0.00 -0.61 0.00 0.00 39.78 35.47 2a5m n ASN 53 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2a5m n PHE 54 N -4.38 -1.55 -4.41 3.10 3.72 -1.24 -4.96 117.46 107.73 2a5m n PHE 54 Ca -0.07 0.60 -0.20 0.00 -0.05 0.00 0.00 57.45 57.72 2a5m n PHE 54 Cb 0.59 -3.36 -0.10 0.00 -0.94 0.00 0.00 39.48 35.67 2a5m n PHE 54 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2a5m s SER 55 N -4.17 2.71 0.00 4.37 0.15 -1.12 -5.04 113.70 110.60 2a5m s SER 55 Ca 0.12 -1.14 0.00 0.00 0.70 0.00 0.00 55.95 55.62 2a5m s SER 55 Cb -0.05 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 2a5m s SER 55 CO 0.92 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.68 2a5m n GLY 56 N -0.53 -1.70 3.76 9.45 0.00 -1.26 -1.54 105.19 113.38 2a5m n GLY 56 Ca -0.06 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 2a5m n GLY 56 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a5m s HIS 57 N 0.00 3.00 -0.05 1.61 3.76 -1.26 -4.68 115.29 117.67 2a5m s HIS 57 Ca 0.00 1.23 0.07 0.00 -0.15 0.00 0.00 55.06 56.21 2a5m s HIS 57 Cb 0.00 -3.77 -0.01 0.00 1.11 0.00 0.00 32.58 29.91 2a5m s HIS 57 CO 0.00 -2.29 -0.25 0.00 -0.85 0.00 0.00 174.74 171.35 2a5m s MET 58 N -1.21 2.41 0.00 1.40 0.00 -1.26 -1.53 119.30 119.11 2a5m s MET 58 Ca 0.54 -0.90 0.02 0.00 0.00 0.00 0.00 55.69 55.35 2a5m s MET 58 Cb -0.41 -2.13 -0.01 0.00 0.00 0.00 0.00 34.83 32.28 2a5m s MET 58 CO 0.50 0.45 -0.08 0.71 0.00 0.00 0.00 175.02 176.60 2a5m s TYR 59 N -0.33 0.71 -0.13 3.16 2.02 -0.60 -3.91 117.35 118.27 2a5m s TYR 59 Ca 0.02 -0.17 -0.14 0.00 -0.37 0.00 0.00 57.07 56.41 2a5m s TYR 59 Cb -0.12 -0.45 -0.05 0.00 -0.40 0.00 0.00 41.96 40.94 2a5m s TYR 59 CO 0.02 -0.01 0.33 0.42 -1.57 0.00 0.00 175.55 174.74 2a5m s ILE 60 N -0.30 5.25 -0.26 2.71 1.09 -1.26 -0.99 121.20 127.45 2a5m s ILE 60 Ca 0.02 0.65 0.03 0.00 -1.10 0.00 0.00 60.65 60.25 2a5m s ILE 60 Cb -0.04 -3.66 0.06 0.00 -1.06 0.00 0.00 42.46 37.76 2a5m s ILE 60 CO -0.00 0.42 -0.11 -0.76 -0.10 0.00 0.00 174.94 174.39 2a5m s LEU 61 N 0.18 3.49 0.85 2.97 1.43 0.19 -4.97 118.68 122.82 2a5m s LEU 61 Ca 0.19 -1.42 -0.12 0.00 -1.03 0.00 0.00 54.13 51.75 2a5m s LEU 61 Cb -0.14 -1.55 0.10 0.00 0.03 0.00 0.00 46.19 44.63 2a5m s LEU 61 CO 0.06 -0.20 1.14 -2.16 0.23 0.00 0.00 176.35 175.43 2a5m s PRO 62 N 1.10 1.62 0.34 1.29 0.04 -1.26 -1.54 135.00 136.59 2a5m s PRO 62 Ca -0.08 0.32 -0.27 0.00 0.04 0.00 0.00 61.00 61.01 2a5m s PRO 62 Cb -0.20 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.32 2a5m s PRO 62 CO -0.05 -1.87 1.15 1.04 0.04 0.00 0.00 177.00 177.31 2a5m n GLN 63 N -3.55 1.74 -2.96 4.56 6.02 -1.18 -4.83 117.38 117.18 2a5m n GLN 63 Ca 0.07 0.61 0.00 0.00 -0.01 0.00 0.00 57.00 57.67 2a5m n GLN 63 Cb 0.59 -2.13 0.00 0.00 1.02 0.00 0.00 30.24 29.72 2a5m n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2a5m n GLY 64 N 0.98 -1.57 3.27 1.08 0.00 -0.78 -4.98 105.19 103.19 2a5m n GLY 64 Ca 0.07 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 2a5m n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2a5m s GLU 65 N -1.82 3.14 -0.42 1.61 2.12 -1.26 -0.33 118.70 121.74 2a5m s GLU 65 Ca 0.00 -0.82 0.04 0.00 0.36 0.00 0.00 54.97 54.55 2a5m s GLU 65 Cb 0.00 -2.40 0.11 0.00 0.26 0.00 0.00 34.13 32.11 2a5m s GLU 65 CO 0.00 0.20 0.15 0.71 -0.54 0.00 0.00 175.26 175.78 2a5m s TYR 66 N 0.33 3.27 -1.63 5.30 1.51 -0.36 -4.98 117.35 120.79 2a5m s TYR 66 Ca -0.16 -2.95 0.11 0.00 -1.01 0.00 0.00 57.07 53.06 2a5m s TYR 66 Cb -0.17 -2.73 0.60 0.00 -0.11 0.00 0.00 41.96 39.55 2a5m s TYR 66 CO 0.08 -0.85 1.20 -0.35 -1.11 0.00 0.00 175.55 174.52 2a5m n PRO 67 N 3.77 0.23 -3.55 -1.71 -0.05 -1.26 -1.93 135.00 130.50 2a5m n PRO 67 Ca 0.04 0.12 -0.14 0.00 -0.05 0.00 0.00 63.50 63.47 2a5m n PRO 67 Cb 0.37 -1.50 -0.05 0.00 -0.05 0.00 0.00 33.50 32.28 2a5m n PRO 67 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 2a5m s GLU 68 N -2.37 1.07 0.27 0.54 2.02 -1.26 0.00 118.70 118.97 2a5m s GLU 68 Ca 0.13 -0.20 -0.04 0.00 0.02 0.00 0.00 54.97 54.87 2a5m s GLU 68 Cb 0.08 0.49 0.33 0.00 0.10 0.00 0.00 34.13 35.13 2a5m s GLU 68 CO 0.16 -0.39 1.91 0.10 0.02 0.00 0.00 175.26 177.05 2a5m h TYR 69 N 2.70 1.14 0.00 1.61 -0.00 0.12 -1.51 116.97 121.03 2a5m h TYR 69 Ca -0.31 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.42 2a5m h TYR 69 Cb 1.22 -0.37 -0.00 0.00 -0.00 0.00 0.00 36.73 37.57 2a5m h TYR 69 CO 0.34 0.76 -0.00 1.96 -0.00 0.00 0.00 178.16 181.22 2a5m h GLN 70 N 1.19 0.00 0.00 0.10 4.20 -1.85 0.19 115.11 118.94 2a5m h GLN 70 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 2a5m h GLN 70 Cb -0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2a5m h GLN 70 CO -0.06 0.00 0.00 -0.09 -0.67 0.00 0.00 178.83 178.01 2a5m h ARG 71 N 0.00 0.00 -0.47 1.46 9.65 -1.66 -1.38 114.38 121.98 2a5m h ARG 71 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2a5m h ARG 71 Cb 0.01 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 2a5m h ARG 71 CO 0.00 0.00 0.00 1.87 2.80 0.00 0.00 179.97 184.64 2a5m n TRP 72 N -2.86 0.66 -1.72 2.20 -0.00 0.59 -4.94 117.44 111.38 2a5m n TRP 72 Ca 0.01 -0.52 -0.19 0.00 -0.00 0.00 0.00 57.50 56.80 2a5m n TRP 72 Cb 0.29 -0.04 -0.07 0.00 -0.00 0.00 0.00 31.31 31.50 2a5m n TRP 72 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 177.69 176.36 2a5m n MET 73 N 0.83 -1.39 -1.75 5.87 2.81 -0.52 -4.93 117.12 118.04 2a5m n MET 73 Ca 0.16 1.13 -0.39 0.00 -1.81 0.00 0.00 57.70 56.79 2a5m n MET 73 Cb 0.51 -5.51 0.03 0.00 -0.71 0.00 0.00 33.22 27.55 2a5m n MET 73 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2a5m n GLY 74 N -0.68 0.87 0.08 3.03 0.00 -0.86 -4.89 105.19 102.75 2a5m n GLY 74 Ca -0.20 0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 2a5m n GLY 74 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2a5m h LEU 75 N 1.88 0.07 0.00 0.99 5.85 -1.91 -3.43 115.31 118.76 2a5m h LEU 75 Ca -0.51 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.12 2a5m h LEU 75 Cb 1.29 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 2a5m h LEU 75 CO 0.59 1.00 0.02 -0.46 -0.34 0.00 0.00 178.44 179.25 2a5m n ASN 76 N -3.45 -0.31 -2.01 1.25 0.23 -1.26 -5.03 115.26 104.67 2a5m n ASN 76 Ca -0.01 -1.26 -0.15 0.00 -0.53 0.00 0.00 54.58 52.62 2a5m n ASN 76 Cb 0.90 0.53 0.21 0.00 -2.08 0.00 0.00 39.78 39.34 2a5m n ASN 76 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2a5m n ASP 77 N -1.39 4.03 -4.63 0.53 8.00 -1.26 -4.92 116.55 116.91 2a5m n ASP 77 Ca -0.01 -3.29 -0.38 0.00 0.71 0.00 0.00 54.79 51.82 2a5m n ASP 77 Cb 0.09 -0.77 -0.09 0.00 -0.02 0.00 0.00 41.12 40.33 2a5m n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2a5m s ARG 78 N -2.85 4.06 -0.11 -1.24 1.81 -1.26 -1.92 118.95 117.45 2a5m s ARG 78 Ca 0.50 0.03 -0.04 0.00 -1.72 0.00 0.00 55.73 54.50 2a5m s ARG 78 Cb 0.41 -3.61 0.06 0.00 -0.45 0.00 0.00 34.95 31.36 2a5m s ARG 78 CO 0.11 -0.17 0.21 -0.51 -0.68 0.00 0.00 175.30 174.26 2a5m s LEU 79 N 1.72 -0.18 -0.01 2.53 1.43 -1.24 -4.29 118.68 118.65 2a5m s LEU 79 Ca 0.15 0.45 0.12 0.00 -1.03 0.00 0.00 54.13 53.81 2a5m s LEU 79 Cb -0.15 0.47 -0.16 0.00 0.03 0.00 0.00 46.19 46.38 2a5m s LEU 79 CO 0.09 -0.24 0.34 0.61 0.23 0.00 0.00 176.35 177.38 2a5m n GLY 80 N 5.34 -0.35 3.37 -3.19 0.00 -0.62 -4.79 105.19 104.95 2a5m n GLY 80 Ca -0.05 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 2a5m n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a5m s SER 81 N -2.84 -0.38 -0.01 1.61 1.04 -1.23 -2.57 113.70 109.31 2a5m s SER 81 Ca -0.01 0.05 -0.07 0.00 0.48 0.00 0.00 55.95 56.40 2a5m s SER 81 Cb 0.08 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2a5m s SER 81 CO 0.48 -0.74 0.15 0.00 0.98 0.00 0.00 173.24 174.10 2a5m s ARG 83 N -1.13 0.47 0.03 0.00 0.52 0.09 -0.63 118.95 118.30 2a5m s ARG 83 Ca -0.12 -0.22 -0.30 0.00 -0.52 0.00 0.00 55.73 54.57 2a5m s ARG 83 Cb -0.06 -0.45 -0.04 0.00 0.52 0.00 0.00 34.95 34.91 2a5m s ARG 83 CO 0.01 0.12 1.08 0.00 0.02 0.00 0.00 175.30 176.54 2a5m s ALA 84 N -0.17 3.27 -0.20 2.13 0.00 -1.26 -0.08 121.76 125.46 2a5m s ALA 84 Ca 0.02 0.69 -0.21 0.00 0.00 0.00 0.00 51.96 52.45 2a5m s ALA 84 Cb -0.02 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 2a5m s ALA 84 CO -0.00 -0.32 0.66 0.08 0.00 0.00 0.00 175.76 176.18 2a5m s VAL 85 N 1.01 4.99 -0.06 0.00 1.01 0.30 -4.87 120.40 122.78 2a5m s VAL 85 Ca 0.55 1.24 -0.17 0.00 0.00 0.00 0.00 61.98 63.60 2a5m s VAL 85 Cb -0.25 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 2a5m s VAL 85 CO 0.29 0.09 0.47 -1.00 0.00 0.00 0.00 175.10 174.94 2a5m s HIS 86 N 2.03 3.61 -0.11 5.22 3.76 -1.26 -4.10 115.29 124.44 2a5m s HIS 86 Ca 0.30 0.96 -0.10 0.00 -0.15 0.00 0.00 55.06 56.07 2a5m s HIS 86 Cb -0.16 -2.47 -0.05 0.00 1.11 0.00 0.00 32.58 31.02 2a5m s HIS 86 CO 0.10 0.35 0.21 -0.51 -0.85 0.00 0.00 174.74 174.04 2a5m s LEU 87 N -0.05 4.38 -0.17 0.89 1.43 -1.26 -4.50 118.68 119.39 2a5m s LEU 87 Ca 0.26 0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 53.88 2a5m s LEU 87 Cb -0.16 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 2a5m s LEU 87 CO 0.12 0.34 -0.05 -0.55 0.23 0.00 0.00 176.35 176.44 2a5m s SER 88 N -0.75 4.58 0.00 2.29 0.15 -1.26 -5.03 113.70 113.68 2a5m s SER 88 Ca 0.16 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2a5m s SER 88 Cb -0.13 -1.76 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 2a5m s SER 88 CO 0.05 0.11 0.00 -1.54 1.20 0.00 0.00 173.24 173.06 2a5m n SER 89 N 3.93 0.21 0.00 5.45 3.41 -1.26 -4.76 113.62 120.59 2a5m n SER 89 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 2a5m n SER 89 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2a5m n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a5m n GLY 90 N 5.00 3.99 0.00 5.00 0.00 -1.26 -5.03 105.19 112.90 2a5m n GLY 90 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2a5m n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a5m n GLY 91 N 0.00 -1.67 3.11 -0.02 0.00 -1.26 -5.12 105.19 100.23 2a5m n GLY 91 Ca 0.00 0.78 -0.33 0.00 0.00 0.00 0.00 46.02 46.48 2a5m n GLY 91 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a5m s GLN 92 N 0.00 2.85 0.04 1.61 -0.44 -1.26 -5.10 119.66 117.37 2a5m s GLN 92 Ca 0.00 -0.88 -0.30 0.00 -2.50 0.00 0.00 55.36 51.68 2a5m s GLN 92 Cb 0.00 -2.58 -0.05 0.00 -1.64 0.00 0.00 33.01 28.74 2a5m s GLN 92 CO 0.00 -0.26 1.11 0.00 0.50 0.00 0.00 175.29 176.64 2a5m s ALA 93 N 1.28 3.30 -0.01 1.58 0.00 -1.26 -5.03 121.76 121.61 2a5m s ALA 93 Ca 0.03 0.73 0.03 0.00 0.00 0.00 0.00 51.96 52.75 2a5m s ALA 93 Cb -0.14 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 2a5m s ALA 93 CO -0.12 -0.34 -0.11 0.21 0.00 0.00 0.00 175.76 175.40 2a5m s LYS 94 N 0.95 0.95 0.03 0.00 2.20 -1.26 -4.55 119.74 118.06 2a5m s LYS 94 Ca 0.55 -0.39 0.05 0.00 -0.36 0.00 0.00 55.97 55.82 2a5m s LYS 94 Cb -0.26 -0.91 -0.02 0.00 -1.51 0.00 0.00 37.83 35.13 2a5m s LYS 94 CO 0.29 0.22 -0.15 -1.50 -0.36 0.00 0.00 175.35 173.85 2a5m s ILE 95 N -0.18 1.19 -0.06 5.43 2.07 -0.90 -3.68 121.20 125.06 2a5m s ILE 95 Ca 0.03 -0.98 0.05 0.00 -1.41 0.00 0.00 60.65 58.34 2a5m s ILE 95 Cb -0.05 -1.06 -0.00 0.00 0.13 0.00 0.00 42.46 41.47 2a5m s ILE 95 CO -0.00 0.07 -0.22 0.00 -1.91 0.00 0.00 174.94 172.88 2a5m s GLN 96 N -1.05 2.36 0.07 3.50 -2.07 -1.03 -1.86 119.66 119.58 2a5m s GLN 96 Ca 0.03 -0.78 0.08 0.00 -1.82 0.00 0.00 55.36 52.87 2a5m s GLN 96 Cb -0.08 -1.96 -0.03 0.00 -1.09 0.00 0.00 33.01 29.86 2a5m s GLN 96 CO 0.01 0.28 -0.22 0.14 -1.32 0.00 0.00 175.29 174.18 2a5m s VAL 97 N 0.04 1.83 -0.01 3.63 -7.23 -0.41 -1.14 120.40 117.12 2a5m s VAL 97 Ca -0.07 -1.41 0.08 0.00 -1.81 0.00 0.00 61.98 58.76 2a5m s VAL 97 Cb -0.14 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 2a5m s VAL 97 CO 0.04 0.13 -0.24 -0.36 -0.31 0.00 0.00 175.10 174.37 2a5m s PHE 98 N -0.94 2.41 0.40 2.82 0.40 -0.85 -1.80 117.98 120.41 2a5m s PHE 98 Ca 0.09 -0.37 0.13 0.00 -0.60 0.00 0.00 56.93 56.18 2a5m s PHE 98 Cb -0.09 -1.49 0.84 0.00 0.51 0.00 0.00 43.02 42.78 2a5m s PHE 98 CO 0.03 0.05 1.90 1.49 0.70 0.00 0.00 175.22 179.39 2a5m h GLU 99 N 5.24 0.00 -5.83 0.44 4.22 -1.11 -3.36 114.58 114.19 2a5m h GLU 99 Ca -0.45 -0.00 -0.60 0.00 0.08 0.00 0.00 59.36 58.40 2a5m h GLU 99 Cb 1.13 -0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.27 2a5m h GLU 99 CO 0.47 0.29 -0.57 0.15 -2.18 0.00 0.00 179.01 177.17 2a5m s LYS 100 N -4.39 2.07 0.94 1.92 1.02 0.14 -4.46 119.74 116.99 2a5m s LYS 100 Ca -0.03 -1.94 -0.12 0.00 0.02 0.00 0.00 55.97 53.91 2a5m s LYS 100 Cb 0.15 -1.82 0.16 0.00 -0.52 0.00 0.00 37.83 35.79 2a5m s LYS 100 CO 0.71 -0.03 1.09 0.20 -0.92 0.00 0.00 175.35 176.40 2a5m s GLY 101 N -3.78 1.61 -1.46 -3.33 0.00 -1.26 -3.00 107.32 96.11 2a5m s GLY 101 Ca 0.37 0.01 -0.11 0.00 0.00 0.00 0.00 44.72 45.00 2a5m s GLY 101 CO 0.20 0.53 0.99 1.22 0.00 0.00 0.00 173.10 176.03 2a5m n ASP 102 N -4.10 -5.56 -3.66 1.64 9.92 0.55 -2.67 116.55 112.67 2a5m n ASP 102 Ca 0.07 -0.60 -0.25 0.00 -0.53 0.00 0.00 54.79 53.48 2a5m n ASP 102 Cb 0.55 -4.42 0.04 0.00 -0.64 0.00 0.00 41.12 36.64 2a5m n ASP 102 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2a5m n PHE 103 N -4.75 -1.95 -4.38 1.24 3.72 -1.25 -5.00 117.46 105.09 2a5m n PHE 103 Ca 0.01 0.66 -0.19 0.00 -0.05 0.00 0.00 57.45 57.88 2a5m n PHE 103 Cb 0.55 -3.87 -0.10 0.00 -0.94 0.00 0.00 39.48 35.12 2a5m n PHE 103 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2a5m s ASN 104 N -3.85 2.23 0.00 4.37 0.01 -1.09 -5.01 114.94 111.59 2a5m s ASN 104 Ca 0.27 -1.24 0.00 0.00 -0.71 0.00 0.00 52.86 51.18 2a5m s ASN 104 Cb -0.08 -0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.51 2a5m s ASN 104 CO 0.83 -0.47 0.00 0.61 -1.51 0.00 0.00 177.10 176.56 2a5m n GLY 105 N -0.52 -1.80 3.78 0.66 0.00 -1.26 0.28 105.19 106.32 2a5m n GLY 105 Ca -0.05 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 2a5m n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a5m s GLN 106 N 0.00 4.18 0.01 1.61 0.74 -1.26 -4.66 119.66 120.28 2a5m s GLN 106 Ca 0.00 1.58 0.07 0.00 0.05 0.00 0.00 55.36 57.06 2a5m s GLN 106 Cb 0.00 -2.61 -0.03 0.00 1.10 0.00 0.00 33.01 31.48 2a5m s GLN 106 CO 0.00 -0.14 -0.21 1.41 -0.55 0.00 0.00 175.29 175.80 2a5m s MET 107 N -2.39 2.10 -0.03 1.67 -2.45 -1.26 -1.19 119.30 115.75 2a5m s MET 107 Ca 0.57 -0.94 0.03 0.00 -1.25 0.00 0.00 55.69 54.09 2a5m s MET 107 Cb -0.24 -2.14 0.00 0.00 1.25 0.00 0.00 34.83 33.70 2a5m s MET 107 CO 0.30 0.55 -0.11 0.71 1.05 0.00 0.00 175.02 177.53 2a5m s TYR 108 N -0.79 1.11 -0.06 4.11 2.02 -0.74 -4.97 117.35 118.03 2a5m s TYR 108 Ca 0.12 -0.30 0.06 0.00 -0.37 0.00 0.00 57.07 56.59 2a5m s TYR 108 Cb -0.10 -0.79 -0.01 0.00 -0.40 0.00 0.00 41.96 40.66 2a5m s TYR 108 CO 0.02 -0.12 -0.25 -2.00 -1.57 0.00 0.00 175.55 171.63 2a5m s GLU 109 N 0.20 2.54 0.01 -0.62 -6.30 -1.26 -1.28 118.70 111.99 2a5m s GLU 109 Ca -0.04 -0.90 -0.15 0.00 -2.50 0.00 0.00 54.97 51.38 2a5m s GLU 109 Cb -0.10 -2.17 0.02 0.00 0.00 0.00 0.00 34.13 31.89 2a5m s GLU 109 CO 0.01 0.39 0.32 -0.08 0.02 0.00 0.00 175.26 175.92 2a5m s THR 110 N -0.19 0.07 -0.99 -1.70 -1.32 -0.78 -5.00 115.64 105.72 2a5m s THR 110 Ca -0.03 -0.55 0.11 0.00 -1.21 0.00 0.00 61.69 60.02 2a5m s THR 110 Cb -0.14 -0.77 0.31 0.00 -1.51 0.00 0.00 72.50 70.40 2a5m s THR 110 CO 0.03 -0.30 1.25 0.35 -2.21 0.00 0.00 174.62 173.74 2a5m n THR 111 N 0.96 0.96 -4.50 5.08 -2.24 -1.26 -2.12 114.28 111.15 2a5m n THR 111 Ca -0.20 -0.98 -0.24 0.00 -2.27 0.00 0.00 64.05 60.36 2a5m n THR 111 Cb 0.58 0.53 -0.10 0.00 -2.10 0.00 0.00 70.33 69.24 2a5m n THR 111 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2a5m s GLU 112 N -1.00 1.72 0.71 -0.78 0.41 -1.26 -4.88 118.70 113.61 2a5m s GLU 112 Ca 0.24 -1.85 -0.14 0.00 -0.41 0.00 0.00 54.97 52.80 2a5m s GLU 112 Cb 0.13 -1.62 0.03 0.00 -1.78 0.00 0.00 34.13 30.88 2a5m s GLU 112 CO 0.16 0.18 1.15 0.16 -0.49 0.00 0.00 175.26 176.42 2a5m s ASP 113 N -3.55 4.60 -0.22 -0.19 1.47 -1.26 -4.92 116.67 112.60 2a5m s ASP 113 Ca 0.31 2.13 0.01 0.00 1.18 0.00 0.00 52.55 56.18 2a5m s ASP 113 Cb 0.00 -2.56 0.05 0.00 -0.34 0.00 0.00 42.92 40.07 2a5m s ASP 113 CO 0.15 -1.98 -0.08 0.00 0.68 0.00 0.00 175.17 173.95 2a5m h PRO 115 N 7.94 0.17 -2.91 0.00 0.13 -1.90 -2.32 132.00 133.12 2a5m h PRO 115 Ca -0.21 -0.20 -0.45 0.00 -0.87 0.00 0.00 66.00 64.26 2a5m h PRO 115 Cb 1.08 0.06 -0.40 0.00 0.13 0.00 0.00 31.00 31.87 2a5m h PRO 115 CO 0.44 0.97 -0.74 -1.12 -0.23 0.00 0.00 178.00 177.32 2a5m s SER 116 N -6.92 2.46 0.24 1.44 0.01 -1.26 -1.98 113.70 107.69 2a5m s SER 116 Ca -0.02 -0.71 -0.06 0.00 1.31 0.00 0.00 55.95 56.47 2a5m s SER 116 Cb 0.10 -0.17 0.24 0.00 0.21 0.00 0.00 66.02 66.40 2a5m s SER 116 CO 0.83 -0.37 1.80 0.40 0.41 0.00 0.00 173.24 176.31 2a5m h ILE 117 N 6.40 1.25 -0.49 1.44 2.04 -1.18 -1.82 117.51 125.15 2a5m h ILE 117 Ca -0.16 -0.81 -0.09 0.00 1.00 0.00 0.00 64.86 64.80 2a5m h ILE 117 Cb 1.12 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 2a5m h ILE 117 CO 0.32 0.32 -0.06 -0.03 0.00 0.00 0.00 178.15 178.71 2a5m h MET 118 N 1.06 0.86 -0.31 2.37 4.05 -1.80 0.42 114.93 121.59 2a5m h MET 118 Ca 0.24 -0.27 -0.17 0.00 -0.28 0.00 0.00 59.70 59.22 2a5m h MET 118 Cb 0.23 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 30.95 2a5m h MET 118 CO -0.02 0.90 -0.49 1.49 0.23 0.00 0.00 176.91 179.02 2a5m h GLU 119 N 0.79 0.85 0.05 0.39 4.81 -1.83 0.73 114.58 120.37 2a5m h GLU 119 Ca 0.14 -0.50 -0.08 0.00 -0.13 0.00 0.00 59.36 58.79 2a5m h GLU 119 Cb 0.55 0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.98 2a5m h GLU 119 CO 0.03 1.14 -0.36 0.37 -0.73 0.00 0.00 179.01 179.47 2a5m h GLN 120 N 0.67 0.11 -0.01 1.92 4.15 -1.10 -3.39 115.11 117.45 2a5m h GLN 120 Ca 0.03 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.27 2a5m h GLN 120 Cb 1.08 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.84 2a5m h GLN 120 CO 0.11 1.09 -0.08 1.19 -1.93 0.00 0.00 178.83 179.21 2a5m n PHE 121 N -4.42 0.00 -2.88 3.99 3.72 0.15 -4.99 117.46 113.03 2a5m n PHE 121 Ca -0.13 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.06 2a5m n PHE 121 Cb 0.61 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.18 2a5m n PHE 121 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2a5m n HIS 122 N 0.27 -1.72 -4.86 1.38 8.25 0.25 -4.95 115.22 113.83 2a5m n HIS 122 Ca 0.05 0.42 -0.33 0.00 -0.26 0.00 0.00 57.72 57.60 2a5m n HIS 122 Cb 0.24 -4.26 -0.14 0.00 1.12 0.00 0.00 29.99 26.95 2a5m n HIS 122 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2a5m s LEU 123 N -6.26 2.70 0.15 2.41 1.43 -1.24 -4.95 118.68 112.92 2a5m s LEU 123 Ca 0.24 -0.25 0.21 0.00 -1.03 0.00 0.00 54.13 53.29 2a5m s LEU 123 Cb -0.11 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 2a5m s LEU 123 CO 0.30 0.28 0.96 -2.11 0.23 0.00 0.00 176.35 176.00 2a5m n ARG 124 N 2.77 0.61 -3.90 1.70 1.85 -1.26 -3.37 116.66 115.05 2a5m n ARG 124 Ca -0.18 0.15 -0.09 0.00 -1.00 0.00 0.00 57.85 56.73 2a5m n ARG 124 Cb 0.52 -1.82 -0.06 0.00 -1.05 0.00 0.00 32.46 30.05 2a5m n ARG 124 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2a5m s GLU 125 N -3.22 1.15 -0.08 2.89 2.02 -1.26 -4.54 118.70 115.65 2a5m s GLU 125 Ca -0.01 -1.08 0.01 0.00 0.02 0.00 0.00 54.97 53.91 2a5m s GLU 125 Cb 0.09 0.40 0.02 0.00 0.10 0.00 0.00 34.13 34.74 2a5m s GLU 125 CO 0.80 -0.43 -0.10 0.42 0.02 0.00 0.00 175.26 175.97 2a5m s ILE 126 N -3.93 1.05 -0.36 -1.63 -1.09 -0.94 -4.94 121.20 109.36 2a5m s ILE 126 Ca 0.14 -0.38 0.11 0.00 -2.23 0.00 0.00 60.65 58.28 2a5m s ILE 126 Cb 0.03 -1.00 -0.13 0.00 -1.58 0.00 0.00 42.46 39.78 2a5m s ILE 126 CO -0.02 0.35 0.39 1.41 -1.23 0.00 0.00 174.94 175.83 2a5m n HIS 127 N 4.20 0.00 -3.49 3.97 8.25 -1.26 -4.71 115.22 122.19 2a5m n HIS 127 Ca -0.20 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.10 2a5m n HIS 127 Cb 0.51 -0.07 -0.05 0.00 1.12 0.00 0.00 29.99 31.50 2a5m n HIS 127 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2a5m s SER 128 N -2.36 -0.62 -0.19 0.41 0.15 -1.26 -2.35 113.70 107.49 2a5m s SER 128 Ca 0.02 0.48 -0.28 0.00 0.70 0.00 0.00 55.95 56.87 2a5m s SER 128 Cb 0.08 0.55 0.12 0.00 -1.71 0.00 0.00 66.02 65.05 2a5m s SER 128 CO 0.44 -0.71 0.96 0.00 1.20 0.00 0.00 173.24 175.13 2a5m s LYS 130 N -0.62 1.48 -0.09 0.00 2.20 -0.29 -2.30 119.74 120.12 2a5m s LYS 130 Ca -0.01 -1.20 0.00 0.00 -0.36 0.00 0.00 55.97 54.40 2a5m s LYS 130 Cb -0.02 -2.64 -0.03 0.00 -1.51 0.00 0.00 37.83 33.64 2a5m s LYS 130 CO 0.00 -0.73 -0.08 0.54 -0.36 0.00 0.00 175.35 174.72 2a5m s VAL 131 N 1.31 3.53 -0.41 4.02 0.11 -1.26 -2.45 120.40 125.25 2a5m s VAL 131 Ca -0.00 -0.52 0.02 0.00 -2.93 0.00 0.00 61.98 58.54 2a5m s VAL 131 Cb -0.19 -2.46 0.13 0.00 -1.53 0.00 0.00 36.38 32.33 2a5m s VAL 131 CO -0.09 0.57 0.20 -0.69 -3.33 0.00 0.00 175.10 171.75 2a5m s VAL 132 N -0.38 1.38 0.00 2.04 1.01 -1.24 -4.55 120.40 118.66 2a5m s VAL 132 Ca 0.05 -2.33 0.00 0.00 0.00 0.00 0.00 61.98 59.70 2a5m s VAL 132 Cb -0.12 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.28 2a5m s VAL 132 CO 0.02 -0.83 0.00 1.21 0.00 0.00 0.00 175.10 175.50 2a5m n GLU 133 N 3.83 0.00 0.00 2.72 0.00 -1.26 -4.55 120.64 121.38 2a5m n GLU 133 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.22 2a5m n GLU 133 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.80 2a5m n GLU 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2a5m n GLY 134 N 0.46 -2.25 3.11 8.31 0.00 -1.26 -4.71 105.19 108.85 2a5m n GLY 134 Ca 0.00 0.73 -0.29 0.00 0.00 0.00 0.00 46.02 46.45 2a5m n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a5m s THR 135 N 0.00 1.65 0.10 2.61 -4.23 -1.26 -1.55 115.64 112.95 2a5m s THR 135 Ca 0.00 -0.75 0.07 0.00 -1.18 0.00 0.00 61.69 59.82 2a5m s THR 135 Cb 0.00 -1.47 -0.03 0.00 1.34 0.00 0.00 72.50 72.34 2a5m s THR 135 CO 0.00 0.47 -0.17 0.26 -0.54 0.00 0.00 174.62 174.64 2a5m s TRP 136 N 0.73 1.51 -0.08 3.99 0.52 -0.58 -2.39 118.94 122.64 2a5m s TRP 136 Ca -0.12 -0.46 0.04 0.00 0.02 0.00 0.00 56.10 55.59 2a5m s TRP 136 Cb -0.16 -0.82 -0.01 0.00 -1.15 0.00 0.00 33.47 31.33 2a5m s TRP 136 CO 0.02 0.15 -0.21 0.42 0.02 0.00 0.00 176.95 177.35 2a5m s ILE 137 N -1.43 2.38 -0.03 2.03 1.01 -0.41 -0.22 121.20 124.53 2a5m s ILE 137 Ca 0.04 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.78 2a5m s ILE 137 Cb -0.09 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 2a5m s ILE 137 CO 0.03 0.56 -0.09 -0.36 0.00 0.00 0.00 174.94 175.09 2a5m s PHE 138 N -0.08 2.86 0.03 3.97 0.40 -0.05 -1.05 117.98 124.05 2a5m s PHE 138 Ca -0.05 -0.04 0.08 0.00 -0.60 0.00 0.00 56.93 56.31 2a5m s PHE 138 Cb -0.14 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.71 2a5m s PHE 138 CO 0.04 0.32 -0.22 0.71 0.70 0.00 0.00 175.22 176.77 2a5m s TYR 139 N -0.87 1.97 0.23 0.36 1.51 0.10 -0.18 117.35 120.47 2a5m s TYR 139 Ca 0.14 -0.38 0.08 0.00 -1.01 0.00 0.00 57.07 55.90 2a5m s TYR 139 Cb -0.11 -1.20 0.21 0.00 -0.11 0.00 0.00 41.96 40.75 2a5m s TYR 139 CO 0.04 0.07 1.52 1.49 -1.11 0.00 0.00 175.55 177.56 2a5m h GLU 140 N 5.04 0.05 -6.52 -0.62 4.57 -1.37 -1.35 114.58 114.39 2a5m h GLU 140 Ca -0.43 -0.05 -0.64 0.00 -1.18 0.00 0.00 59.36 57.07 2a5m h GLU 140 Cb 1.15 0.01 -0.16 0.00 -0.16 0.00 0.00 28.75 29.59 2a5m h GLU 140 CO 0.45 0.74 -0.77 -0.51 -1.18 0.00 0.00 179.01 177.74 2a5m s LEU 141 N -7.48 2.74 1.15 1.64 1.43 -0.36 -3.34 118.68 114.45 2a5m s LEU 141 Ca -0.01 -0.70 -0.17 0.00 -1.03 0.00 0.00 54.13 52.22 2a5m s LEU 141 Cb 0.12 -1.45 0.17 0.00 0.03 0.00 0.00 46.19 45.06 2a5m s LEU 141 CO 0.78 0.11 0.35 -0.81 0.23 0.00 0.00 176.35 177.02 2a5m n PRO 142 N 0.14 -1.97 -2.71 1.29 -0.04 -1.26 -2.43 135.00 128.02 2a5m n PRO 142 Ca -0.11 -0.55 -0.20 0.00 -0.04 0.00 0.00 63.50 62.59 2a5m n PRO 142 Cb 0.56 -1.86 0.01 0.00 -0.04 0.00 0.00 33.50 32.17 2a5m n PRO 142 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2a5m n ASN 143 N -2.85 -5.46 -3.66 3.54 4.05 -0.84 -2.30 115.26 107.75 2a5m n ASN 143 Ca 0.01 -0.11 -0.21 0.00 0.45 0.00 0.00 54.58 54.72 2a5m n ASN 143 Cb 0.59 -4.50 0.05 0.00 1.23 0.00 0.00 39.78 37.15 2a5m n ASN 143 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 2a5m n TYR 144 N -4.08 -2.07 -4.49 1.20 4.01 -1.24 -5.00 117.16 105.50 2a5m n TYR 144 Ca -0.16 0.88 -0.24 0.00 -0.16 0.00 0.00 57.90 58.22 2a5m n TYR 144 Cb 0.64 -4.54 -0.10 0.00 -0.31 0.00 0.00 39.34 35.02 2a5m n TYR 144 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2a5m s ARG 145 N -5.93 1.69 0.79 -0.72 1.81 -0.97 -5.02 118.95 110.59 2a5m s ARG 145 Ca 0.11 -1.85 0.00 0.00 -1.72 0.00 0.00 55.73 52.27 2a5m s ARG 145 Cb -0.05 -1.52 0.00 0.00 -0.45 0.00 0.00 34.95 32.93 2a5m s ARG 145 CO 0.79 0.14 0.00 0.41 -0.68 0.00 0.00 175.30 175.96 2a5m n GLY 146 N -0.68 -1.81 3.77 -3.53 0.00 -1.26 -1.22 105.19 100.45 2a5m n GLY 146 Ca -0.05 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 2a5m n GLY 146 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a5m s ARG 147 N 0.00 4.11 0.08 1.61 3.52 -1.26 -4.73 118.95 122.27 2a5m s ARG 147 Ca 0.00 1.92 0.06 0.00 -0.13 0.00 0.00 55.73 57.58 2a5m s ARG 147 Cb 0.00 -2.76 -0.04 0.00 -1.56 0.00 0.00 34.95 30.59 2a5m s ARG 147 CO 0.00 -0.29 -0.10 -0.65 -0.81 0.00 0.00 175.30 173.44 2a5m s GLN 148 N -2.18 2.20 -0.06 5.12 -0.21 -1.25 -1.59 119.66 121.68 2a5m s GLN 148 Ca 0.55 -0.96 0.04 0.00 0.02 0.00 0.00 55.36 55.02 2a5m s GLN 148 Cb -0.33 -2.33 -0.00 0.00 1.00 0.00 0.00 33.01 31.35 2a5m s GLN 148 CO 0.42 0.53 -0.20 0.71 -2.12 0.00 0.00 175.29 174.62 2a5m s TYR 149 N -1.14 2.08 -0.26 0.91 2.02 0.74 -4.61 117.35 117.09 2a5m s TYR 149 Ca 0.20 -0.69 -0.14 0.00 -0.37 0.00 0.00 57.07 56.06 2a5m s TYR 149 Cb -0.11 -1.40 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 2a5m s TYR 149 CO 0.11 -0.26 0.35 -1.17 -1.57 0.00 0.00 175.55 173.01 2a5m s LEU 150 N 0.14 4.05 -0.08 -1.29 2.96 -1.26 -0.87 118.68 122.33 2a5m s LEU 150 Ca -0.09 0.27 -0.10 0.00 -0.22 0.00 0.00 54.13 53.99 2a5m s LEU 150 Cb -0.14 -2.39 -0.05 0.00 0.50 0.00 0.00 46.19 44.12 2a5m s LEU 150 CO 0.04 -0.15 0.23 -0.76 -1.32 0.00 0.00 176.35 174.40 2a5m s LEU 151 N 1.92 4.41 0.00 -0.68 1.02 0.70 -4.95 118.68 121.10 2a5m s LEU 151 Ca 0.14 0.64 0.01 0.00 0.02 0.00 0.00 54.13 54.94 2a5m s LEU 151 Cb -0.16 -2.25 0.01 0.00 0.02 0.00 0.00 46.19 43.82 2a5m s LEU 151 CO 0.10 0.37 0.10 0.47 0.02 0.00 0.00 176.35 177.40 2a5m n ASP 152 N 1.97 1.09 -1.74 2.29 9.92 -1.26 -1.52 116.55 127.29 2a5m n ASP 152 Ca -0.18 -1.34 -0.00 0.00 -0.53 0.00 0.00 54.79 52.74 2a5m n ASP 152 Cb 0.54 -0.03 -0.00 0.00 -0.64 0.00 0.00 41.12 40.99 2a5m n ASP 152 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 2a5m n LYS 153 N -0.87 0.57 -4.13 -1.24 2.85 -0.60 -4.77 118.16 109.98 2a5m n LYS 153 Ca 0.00 -0.02 -0.24 0.00 -1.05 0.00 0.00 58.31 57.00 2a5m n LYS 153 Cb 0.12 -1.25 -0.07 0.00 -0.65 0.00 0.00 35.03 33.18 2a5m n LYS 153 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2a5m s LYS 154 N 0.94 2.24 -0.20 -1.58 2.20 -1.26 -4.99 119.74 117.08 2a5m s LYS 154 Ca 0.01 -1.77 -0.08 0.00 -0.36 0.00 0.00 55.97 53.77 2a5m s LYS 154 Cb 0.01 -2.02 -0.04 0.00 -1.51 0.00 0.00 37.83 34.27 2a5m s LYS 154 CO 0.00 -0.05 0.08 -1.83 -0.36 0.00 0.00 175.35 173.19 2a5m s GLU 155 N -3.88 3.94 -0.40 4.03 -1.05 -1.26 -4.48 118.70 115.61 2a5m s GLU 155 Ca 0.40 -0.35 -0.14 0.00 -0.15 0.00 0.00 54.97 54.73 2a5m s GLU 155 Cb 0.02 -3.29 0.02 0.00 -0.44 0.00 0.00 34.13 30.44 2a5m s GLU 155 CO 0.22 0.16 0.28 0.71 0.95 0.00 0.00 175.26 177.58 2a5m s TYR 156 N 0.68 3.24 -0.12 4.83 1.51 -0.97 -4.92 117.35 121.60 2a5m s TYR 156 Ca 0.04 -0.62 0.17 0.00 -1.01 0.00 0.00 57.07 55.65 2a5m s TYR 156 Cb -0.13 -2.55 -0.20 0.00 -0.11 0.00 0.00 41.96 38.97 2a5m s TYR 156 CO 0.02 -0.58 0.57 2.89 -1.11 0.00 0.00 175.55 177.34 2a5m n ARG 157 N 5.12 0.64 -4.36 -0.62 1.85 -1.26 -1.62 116.66 116.42 2a5m n ARG 157 Ca -0.11 0.12 -0.24 0.00 -1.00 0.00 0.00 57.85 56.62 2a5m n ARG 157 Cb 0.47 -1.70 -0.12 0.00 -1.05 0.00 0.00 32.46 30.07 2a5m n ARG 157 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2a5m s LYS 158 N -2.85 1.34 0.19 2.89 1.02 -1.25 -0.33 119.74 120.75 2a5m s LYS 158 Ca -0.06 -1.41 -0.11 0.00 0.02 0.00 0.00 55.97 54.41 2a5m s LYS 158 Cb 0.09 -1.52 0.11 0.00 -0.52 0.00 0.00 37.83 35.98 2a5m s LYS 158 CO 0.83 0.32 1.78 -1.00 -0.92 0.00 0.00 175.35 176.37 2a5m h PRO 159 N 3.35 0.95 0.00 -1.68 0.13 -1.77 -1.45 132.00 131.53 2a5m h PRO 159 Ca -0.44 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2a5m h PRO 159 Cb 1.20 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2a5m h PRO 159 CO 0.48 0.74 0.00 0.28 -0.23 0.00 0.00 178.00 179.28 2a5m h VAL 160 N 0.92 0.00 0.00 1.56 2.07 -1.91 -1.92 116.25 116.97 2a5m h VAL 160 Ca 0.23 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.71 2a5m h VAL 160 Cb 0.09 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2a5m h VAL 160 CO -0.03 0.00 0.00 -0.78 0.02 0.00 0.00 177.57 176.78 2a5m h ASP 161 N 0.00 0.00 -0.59 0.57 3.58 -1.56 -1.99 116.42 116.42 2a5m h ASP 161 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2a5m h ASP 161 Cb 0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.09 2a5m h ASP 161 CO 0.00 0.00 0.00 -2.67 -2.88 0.00 0.00 179.24 173.69 2a5m n TRP 162 N -2.80 1.50 -0.70 0.28 2.14 -0.72 -4.92 117.44 112.23 2a5m n TRP 162 Ca -0.01 -0.65 0.00 0.00 2.07 0.00 0.00 57.50 58.92 2a5m n TRP 162 Cb 0.18 -0.29 0.00 0.00 -0.81 0.00 0.00 31.31 30.39 2a5m n TRP 162 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2a5m n GLY 163 N 0.88 0.64 3.87 -1.67 0.00 -0.75 -4.72 105.19 103.45 2a5m n GLY 163 Ca 0.25 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2a5m n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a5m s ALA 164 N -2.00 3.84 -1.38 4.61 0.00 -1.25 -4.97 121.76 120.60 2a5m s ALA 164 Ca 0.00 -0.67 0.28 0.00 0.00 0.00 0.00 51.96 51.57 2a5m s ALA 164 Cb 0.00 -1.92 1.07 0.00 0.00 0.00 0.00 23.12 22.27 2a5m s ALA 164 CO 0.00 0.63 1.78 0.00 0.00 0.00 0.00 175.76 178.17 2a5m n ALA 165 N 1.89 2.83 -3.00 0.00 0.00 -1.26 -3.91 120.51 117.07 2a5m n ALA 165 Ca -0.19 -0.25 -0.09 0.00 0.00 0.00 0.00 53.44 52.91 2a5m n ALA 165 Cb 0.55 -1.32 -0.11 0.00 0.00 0.00 0.00 19.45 18.57 2a5m n ALA 165 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2a5m s SER 166 N -2.69 0.20 0.00 0.00 0.01 -1.26 -5.00 113.70 104.96 2a5m s SER 166 Ca 0.22 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2a5m s SER 166 Cb 0.19 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.54 2a5m s SER 166 CO 0.53 -0.31 0.50 -0.81 0.41 0.00 0.00 173.24 173.56 2a5m n PRO 167 N 1.56 0.72 -2.78 12.44 -0.04 -1.26 -4.79 135.00 140.85 2a5m n PRO 167 Ca -0.24 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.80 2a5m n PRO 167 Cb 0.55 -1.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.76 2a5m n PRO 167 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2a5m s ALA 168 N -1.39 3.65 -0.16 0.55 0.00 -1.26 -2.21 121.76 120.94 2a5m s ALA 168 Ca 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 51.96 51.93 2a5m s ALA 168 Cb 0.00 -3.41 0.07 0.00 0.00 0.00 0.00 23.12 19.78 2a5m s ALA 168 CO 0.00 -0.95 0.36 0.42 0.00 0.00 0.00 175.76 175.60 2a5m s ILE 169 N 2.92 -0.30 -0.25 0.00 1.01 -1.26 -4.72 121.20 118.59 2a5m s ILE 169 Ca 0.40 0.16 0.08 0.00 0.00 0.00 0.00 60.65 61.29 2a5m s ILE 169 Cb -0.15 -0.57 -0.10 0.00 0.01 0.00 0.00 42.46 41.65 2a5m s ILE 169 CO 0.08 0.07 0.29 0.00 0.00 0.00 0.00 174.94 175.37 2a5m n GLN 170 N 4.83 2.95 -3.53 2.79 1.13 -0.54 -4.50 117.38 120.50 2a5m n GLN 170 Ca -0.16 -0.03 -0.11 0.00 -1.94 0.00 0.00 57.00 54.76 2a5m n GLN 170 Cb 0.52 -0.99 -0.03 0.00 0.11 0.00 0.00 30.24 29.85 2a5m n GLN 170 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2a5m s SER 171 N -2.17 -0.40 0.04 1.08 1.04 -1.03 -0.69 113.70 111.57 2a5m s SER 171 Ca 0.01 -0.13 -0.17 0.00 0.48 0.00 0.00 55.95 56.14 2a5m s SER 171 Cb 0.06 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.74 2a5m s SER 171 CO 0.34 -0.89 0.38 0.72 0.98 0.00 0.00 173.24 174.77 2a5m s PHE 172 N -3.65 -0.23 0.00 5.02 -0.12 -0.87 0.02 117.98 118.15 2a5m s PHE 172 Ca 0.01 0.20 -0.04 0.00 -0.05 0.00 0.00 56.93 57.04 2a5m s PHE 172 Cb 0.00 0.18 -0.01 0.00 -0.63 0.00 0.00 43.02 42.57 2a5m s PHE 172 CO -0.12 -0.54 0.08 1.03 -0.05 0.00 0.00 175.22 175.62 2a5m s ARG 173 N -2.35 0.39 0.16 1.99 0.52 -0.21 -1.73 118.95 117.71 2a5m s ARG 173 Ca -0.06 -0.42 -0.21 0.00 -0.52 0.00 0.00 55.73 54.52 2a5m s ARG 173 Cb -0.01 0.16 -0.08 0.00 0.52 0.00 0.00 34.95 35.54 2a5m s ARG 173 CO -0.02 -0.08 0.69 -0.98 0.02 0.00 0.00 175.30 174.93 2a5m s ARG 174 N -1.27 4.33 -0.16 3.54 1.70 -1.26 -1.29 118.95 124.53 2a5m s ARG 174 Ca -0.14 0.91 -0.15 0.00 -0.47 0.00 0.00 55.73 55.88 2a5m s ARG 174 Cb -0.08 -3.12 -0.04 0.00 -0.57 0.00 0.00 34.95 31.14 2a5m s ARG 174 CO 0.01 0.53 0.35 0.42 -1.08 0.00 0.00 175.30 175.53 2a5m s ILE 175 N -1.27 5.26 0.03 4.99 1.01 -1.01 -4.93 121.20 125.29 2a5m s ILE 175 Ca 0.36 0.66 0.01 0.00 0.00 0.00 0.00 60.65 61.68 2a5m s ILE 175 Cb -0.20 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 2a5m s ILE 175 CO 0.22 0.35 -0.06 0.68 0.00 0.00 0.00 174.94 176.13 2a5m s VAL 176 N 0.69 0.38 -0.58 2.92 -7.23 -1.26 -4.76 120.40 110.56 2a5m s VAL 176 Ca 0.19 -0.96 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 2a5m s VAL 176 Cb -0.14 -0.47 0.00 0.00 0.56 0.00 0.00 36.38 36.33 2a5m s VAL 176 CO 0.06 -0.39 0.14 -0.62 -0.31 0.00 0.00 175.10 173.99