#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 2.97 0.00 -1.46 1.02 -1.26 -4.91 119.74 116.10 2a5m s LYS 2 Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 55.97 55.64 2a5m s LYS 2 Cb 0.00 -4.88 0.00 0.00 -0.52 0.00 0.00 37.83 32.43 2a5m s LYS 2 CO 0.00 -2.72 0.00 2.41 -0.92 0.00 0.00 175.35 174.12 2a5m n THR 3 N 7.23 0.00 0.00 2.17 -1.04 -1.26 -5.13 114.28 116.25 2a5m n THR 3 Ca 0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 2a5m n THR 3 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 2a5m n THR 3 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2a5m n GLY 4 N 5.00 -1.59 3.81 3.41 0.00 -1.26 -5.15 105.19 109.41 2a5m n GLY 4 Ca 0.00 0.94 -0.34 0.00 0.00 0.00 0.00 46.02 46.62 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 2.47 -0.15 -0.02 0.00 -1.26 -4.71 107.32 103.65 2a5m s GLY 5 Ca 0.00 0.48 -0.12 0.00 0.00 0.00 0.00 44.72 45.07 2a5m s GLY 5 CO 0.00 0.79 0.39 1.25 0.00 0.00 0.00 173.10 175.53 2a5m s LYS 6 N -3.06 0.43 -0.01 2.90 2.20 -0.78 -4.56 119.74 116.86 2a5m s LYS 6 Ca 0.62 0.61 0.04 0.00 -0.36 0.00 0.00 55.97 56.88 2a5m s LYS 6 Cb -0.12 0.14 -0.01 0.00 -1.51 0.00 0.00 37.83 36.33 2a5m s LYS 6 CO 0.16 -0.09 -0.13 -1.50 -0.36 0.00 0.00 175.35 173.43 2a5m s ILE 7 N 0.58 1.04 -0.09 5.43 2.07 -0.85 -1.62 121.20 127.76 2a5m s ILE 7 Ca -0.03 -0.59 0.04 0.00 -1.41 0.00 0.00 60.65 58.65 2a5m s ILE 7 Cb -0.05 -0.88 0.00 0.00 0.13 0.00 0.00 42.46 41.67 2a5m s ILE 7 CO -0.03 0.27 -0.21 -0.55 -1.91 0.00 0.00 174.94 172.50 2a5m s SER 8 N -0.37 2.78 -0.07 4.50 0.15 0.36 -1.43 113.70 119.62 2a5m s SER 8 Ca 0.05 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.21 2a5m s SER 8 Cb -0.05 -1.25 -0.03 0.00 -1.71 0.00 0.00 66.02 62.98 2a5m s SER 8 CO -0.00 0.13 -0.07 -0.36 1.20 0.00 0.00 173.24 174.14 2a5m s PHE 9 N 0.39 2.94 -0.03 3.44 0.40 0.05 -0.64 117.98 124.53 2a5m s PHE 9 Ca -0.17 0.03 0.07 0.00 -0.60 0.00 0.00 56.93 56.25 2a5m s PHE 9 Cb -0.17 -1.71 -0.01 0.00 0.51 0.00 0.00 43.02 41.63 2a5m s PHE 9 CO 0.08 0.34 -0.23 0.71 0.70 0.00 0.00 175.22 176.81 2a5m s TYR 10 N -0.82 2.13 0.33 0.36 1.51 -0.66 -0.91 117.35 119.29 2a5m s TYR 10 Ca 0.13 -0.48 0.18 0.00 -1.01 0.00 0.00 57.07 55.88 2a5m s TYR 10 Cb -0.11 -1.38 0.87 0.00 -0.11 0.00 0.00 41.96 41.22 2a5m s TYR 10 CO 0.02 -0.09 1.85 0.93 -1.11 0.00 0.00 175.55 177.15 2a5m h GLU 11 N 5.74 0.00 -5.88 -0.62 5.08 -1.28 -0.89 114.58 116.72 2a5m h GLU 11 Ca -0.38 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.41 2a5m h GLU 11 Cb 1.14 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.31 2a5m h GLU 11 CO 0.47 0.32 -0.50 0.34 -1.00 0.00 0.00 179.01 178.64 2a5m s ASP 12 N -6.63 4.39 0.66 1.42 2.15 -0.43 -3.87 116.67 114.36 2a5m s ASP 12 Ca -0.02 -1.10 -0.12 0.00 0.43 0.00 0.00 52.55 51.74 2a5m s ASP 12 Cb 0.13 -0.47 -0.01 0.00 -0.30 0.00 0.00 42.92 42.27 2a5m s ASP 12 CO 0.68 -0.54 1.05 -0.13 -0.17 0.00 0.00 175.17 176.07 2a5m s ARG 13 N -3.89 3.12 -1.10 4.34 0.52 -1.26 -3.61 118.95 117.06 2a5m s ARG 13 Ca 0.41 1.02 -0.03 0.00 -0.52 0.00 0.00 55.73 56.60 2a5m s ARG 13 Cb 0.04 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.50 2a5m s ARG 13 CO 0.22 -0.96 0.38 0.09 0.02 0.00 0.00 175.30 175.05 2a5m n ASN 14 N -2.74 -4.71 -3.97 0.23 3.02 -0.00 -3.06 115.26 104.02 2a5m n ASN 14 Ca 0.08 -0.18 -0.29 0.00 -0.03 0.00 0.00 54.58 54.16 2a5m n ASN 14 Cb 0.53 -3.60 -0.00 0.00 -0.61 0.00 0.00 39.78 36.10 2a5m n ASN 14 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 2a5m n PHE 15 N -4.12 -1.87 -4.17 3.10 1.16 -1.25 -4.98 117.46 105.34 2a5m n PHE 15 Ca -0.09 0.81 -0.24 0.00 -1.87 0.00 0.00 57.45 56.07 2a5m n PHE 15 Cb 0.59 -3.70 -0.07 0.00 -1.61 0.00 0.00 39.48 34.69 2a5m n PHE 15 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 2a5m s GLN 16 N -6.58 2.26 0.70 3.97 -0.21 -1.17 -5.01 119.66 113.62 2a5m s GLN 16 Ca 0.34 -1.66 0.00 0.00 0.02 0.00 0.00 55.36 54.07 2a5m s GLN 16 Cb -0.18 -2.07 0.00 0.00 1.00 0.00 0.00 33.01 31.76 2a5m s GLN 16 CO 0.87 0.08 0.00 0.41 -2.12 0.00 0.00 175.29 174.53 2a5m n GLY 17 N -1.11 -1.87 3.77 3.09 0.00 -1.26 -1.31 105.19 106.50 2a5m n GLY 17 Ca -0.03 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 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 4.10 0.11 1.61 3.52 -1.26 -4.71 118.95 122.32 2a5m s ARG 18 Ca 0.00 2.00 0.11 0.00 -0.13 0.00 0.00 55.73 57.70 2a5m s ARG 18 Cb 0.00 -2.79 -0.04 0.00 -1.56 0.00 0.00 34.95 30.56 2a5m s ARG 18 CO 0.00 -0.33 -0.27 0.50 -0.81 0.00 0.00 175.30 174.40 2a5m s ARG 19 N -2.15 1.49 -0.06 5.12 3.52 -1.26 -1.27 118.95 124.34 2a5m s ARG 19 Ca 0.55 -1.29 0.01 0.00 -0.13 0.00 0.00 55.73 54.87 2a5m s ARG 19 Cb -0.35 -1.92 0.02 0.00 -1.56 0.00 0.00 34.95 31.15 2a5m s ARG 19 CO 0.44 0.46 -0.06 -0.47 -0.81 0.00 0.00 175.30 174.86 2a5m s TYR 20 N -1.00 1.03 -0.09 5.12 5.04 -0.08 -4.96 117.35 122.41 2a5m s TYR 20 Ca 0.13 -0.37 0.01 0.00 -2.44 0.00 0.00 57.07 54.40 2a5m s TYR 20 Cb -0.10 -0.87 -0.03 0.00 0.35 0.00 0.00 41.96 41.31 2a5m s TYR 20 CO 0.05 -0.28 -0.09 -0.51 -1.34 0.00 0.00 175.55 173.38 2a5m s ASP 21 N 1.10 4.40 -0.02 4.32 1.11 -1.26 -0.77 116.67 125.55 2a5m s ASP 21 Ca -0.08 -0.14 0.03 0.00 0.18 0.00 0.00 52.55 52.55 2a5m s ASP 21 Cb -0.14 -1.27 -0.00 0.00 1.07 0.00 0.00 42.92 42.57 2a5m s ASP 21 CO -0.01 0.29 -0.11 0.00 1.18 0.00 0.00 175.17 176.52 2a5m n ASP 23 N 3.01 2.43 -3.46 0.00 8.00 -1.26 -2.01 116.55 123.25 2a5m n ASP 23 Ca -0.16 -2.14 -0.09 0.00 0.71 0.00 0.00 54.79 53.12 2a5m n ASP 23 Cb 0.55 -0.14 -0.01 0.00 -0.02 0.00 0.00 41.12 41.50 2a5m n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a5m s ASP 25 N -3.02 5.60 -0.14 0.00 1.47 -1.26 -4.81 116.67 114.52 2a5m s ASP 25 Ca 0.16 2.82 -0.01 0.00 1.18 0.00 0.00 52.55 56.70 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 -1.35 -0.03 0.00 0.68 0.00 0.00 175.17 174.57 2a5m h ALA 27 N 8.21 0.86 -1.31 0.00 0.00 -1.88 -1.75 119.26 123.39 2a5m h ALA 27 Ca -0.23 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 2a5m h ALA 27 Cb 1.12 -0.05 -0.24 0.00 0.00 0.00 0.00 17.79 18.62 2a5m h ALA 27 CO 0.35 0.38 -0.44 0.34 0.00 0.00 0.00 179.25 179.88 2a5m s ASP 28 N -6.31 -0.75 -0.01 0.00 -1.08 -1.25 -2.17 116.67 105.09 2a5m s ASP 28 Ca 0.03 -0.01 0.17 0.00 -0.52 0.00 0.00 52.55 52.22 2a5m s ASP 28 Cb 0.08 1.64 0.51 0.00 -1.46 0.00 0.00 42.92 43.69 2a5m s ASP 28 CO 0.69 -0.32 1.42 2.22 0.52 0.00 0.00 175.17 179.70 2a5m n PHE 29 N 5.39 0.79 0.30 -5.34 -1.74 -1.21 -4.52 117.46 111.13 2a5m n PHE 29 Ca 0.03 -0.51 0.18 0.00 -0.56 0.00 0.00 57.45 56.58 2a5m n PHE 29 Cb 0.52 -0.03 1.00 0.00 1.52 0.00 0.00 39.48 42.49 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 3.29 0.00 0.00 3.97 2.47 -1.80 -0.41 114.38 121.90 2a5m h ARG 30 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2a5m h ARG 30 Cb 0.92 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 2a5m h ARG 30 CO 0.02 0.00 0.00 0.66 0.56 0.00 0.00 179.97 181.21 2a5m h SER 31 N 0.00 0.00 0.00 7.04 4.64 -1.99 -3.16 113.55 120.08 2a5m h SER 31 Ca 0.01 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 2a5m h SER 31 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2a5m h SER 31 CO -0.00 0.00 -1.84 -1.22 -0.87 0.00 0.00 176.83 172.90 2a5m n TYR 32 N -2.62 0.00 -3.70 4.77 4.02 -0.24 -4.95 117.16 114.45 2a5m n TYR 32 Ca 0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.81 2a5m n TYR 32 Cb 0.38 -0.46 -0.12 0.00 -0.02 0.00 0.00 39.34 39.11 2a5m n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2a5m s LEU 33 N -4.37 -0.01 0.04 7.72 2.96 -0.73 -4.81 118.68 119.49 2a5m s LEU 33 Ca -0.07 0.69 0.26 0.00 -0.22 0.00 0.00 54.13 54.79 2a5m s LEU 33 Cb 0.10 0.95 0.68 0.00 0.50 0.00 0.00 46.19 48.42 2a5m s LEU 33 CO 0.71 -0.20 1.55 -1.20 -1.32 0.00 0.00 176.35 175.89 2a5m n SER 34 N 4.65 0.45 -3.55 3.68 7.64 -1.26 -4.17 113.62 121.05 2a5m n SER 34 Ca -0.18 0.09 -0.06 0.00 1.01 0.00 0.00 58.87 59.73 2a5m n SER 34 Cb 0.52 -0.05 -0.02 0.00 -1.01 0.00 0.00 64.21 63.66 2a5m n SER 34 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2a5m s ARG 35 N -3.05 0.61 -0.12 1.43 6.06 -1.26 -4.98 118.95 117.64 2a5m s ARG 35 Ca 0.11 -0.23 -0.04 0.00 -2.50 0.00 0.00 55.73 53.07 2a5m s ARG 35 Cb 0.16 0.28 0.05 0.00 0.06 0.00 0.00 34.95 35.50 2a5m s ARG 35 CO 0.65 -0.27 0.10 0.00 -2.50 0.00 0.00 175.30 173.29 2a5m n ASN 37 N 5.30 2.03 -3.60 0.00 4.13 -0.34 -4.51 115.26 118.26 2a5m n ASN 37 Ca -0.05 -1.51 -0.14 0.00 1.68 0.00 0.00 54.58 54.55 2a5m n ASN 37 Cb 0.49 0.10 -0.06 0.00 -1.54 0.00 0.00 39.78 38.77 2a5m n ASN 37 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2a5m s SER 38 N -1.28 -0.42 -0.02 6.41 0.01 -1.22 0.14 113.70 117.33 2a5m s SER 38 Ca 0.15 0.22 -0.07 0.00 1.31 0.00 0.00 55.95 57.56 2a5m s SER 38 Cb 0.12 0.47 0.01 0.00 0.21 0.00 0.00 66.02 66.82 2a5m s SER 38 CO 0.21 -0.67 0.16 -0.63 0.41 0.00 0.00 173.24 172.72 2a5m s ILE 39 N -2.16 0.06 -0.13 1.44 1.01 -0.75 -1.65 121.20 119.02 2a5m s ILE 39 Ca -0.07 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.13 2a5m s ILE 39 Cb -0.01 -0.39 0.01 0.00 0.01 0.00 0.00 42.46 42.08 2a5m s ILE 39 CO 0.00 -0.26 -0.17 -0.60 0.00 0.00 0.00 174.94 173.91 2a5m s ARG 40 N -0.93 2.54 -0.31 2.79 3.52 0.19 -0.84 118.95 125.89 2a5m s ARG 40 Ca -0.10 -0.67 -0.08 0.00 -0.13 0.00 0.00 55.73 54.75 2a5m s ARG 40 Cb -0.06 -2.14 0.01 0.00 -1.56 0.00 0.00 34.95 31.20 2a5m s ARG 40 CO 0.01 -0.09 0.12 0.08 -0.81 0.00 0.00 175.30 174.62 2a5m s VAL 41 N 1.05 4.25 0.02 7.11 1.01 0.93 -0.49 120.40 134.28 2a5m s VAL 41 Ca -0.04 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.30 2a5m s VAL 41 Cb -0.15 -3.22 -0.26 0.00 0.00 0.00 0.00 36.38 32.75 2a5m s VAL 41 CO -0.04 0.02 0.93 -0.33 0.00 0.00 0.00 175.10 175.68 2a5m h GLU 42 N 8.30 0.16 -1.91 2.72 5.08 -1.55 -1.88 114.58 125.51 2a5m h GLU 42 Ca -0.30 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 57.74 2a5m h GLU 42 Cb 1.13 0.10 -0.20 0.00 0.50 0.00 0.00 28.75 30.28 2a5m h GLU 42 CO 0.62 1.01 0.26 0.20 -1.00 0.00 0.00 179.01 180.09 2a5m s GLY 43 N -4.91 -0.51 0.00 -3.84 0.00 -1.23 -4.85 107.32 91.98 2a5m s GLY 43 Ca -0.06 1.50 0.00 0.00 0.00 0.00 0.00 44.72 46.16 2a5m s GLY 43 CO 0.84 1.02 0.00 0.61 0.00 0.00 0.00 173.10 175.57 2a5m n GLY 44 N 0.97 -1.19 3.28 0.20 0.00 -1.26 -1.87 105.19 105.31 2a5m n GLY 44 Ca -0.17 -1.61 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 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 2.01 0.14 2.61 2.01 -1.26 -2.86 115.64 116.63 2a5m s THR 45 Ca 0.00 -1.07 0.07 0.00 0.31 0.00 0.00 61.69 61.00 2a5m s THR 45 Cb 0.00 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 2a5m s THR 45 CO 0.00 0.57 -0.17 0.26 -0.69 0.00 0.00 174.62 174.59 2a5m s TRP 46 N -0.41 1.63 -0.13 4.92 0.52 -0.61 0.10 118.94 124.95 2a5m s TRP 46 Ca 0.04 -0.50 -0.04 0.00 0.02 0.00 0.00 56.10 55.62 2a5m s TRP 46 Cb -0.11 -0.84 -0.03 0.00 -1.15 0.00 0.00 33.47 31.34 2a5m s TRP 46 CO 0.01 0.23 -0.01 0.00 0.02 0.00 0.00 176.95 177.20 2a5m s ALA 47 N -2.00 3.16 -0.01 0.98 0.00 0.11 0.18 121.76 124.18 2a5m s ALA 47 Ca 0.12 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.33 2a5m s ALA 47 Cb -0.06 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 2a5m s ALA 47 CO 0.05 0.34 -0.19 0.14 0.00 0.00 0.00 175.76 176.10 2a5m s VAL 48 N -0.08 2.64 0.04 0.00 -7.23 -0.20 -0.74 120.40 114.84 2a5m s VAL 48 Ca 0.03 -0.98 0.09 0.00 -1.81 0.00 0.00 61.98 59.31 2a5m s VAL 48 Cb -0.13 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 2a5m s VAL 48 CO 0.02 0.52 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.77 2a5m s TYR 49 N -0.74 2.20 0.33 2.82 1.51 0.59 -1.72 117.35 122.34 2a5m s TYR 49 Ca 0.12 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.81 2a5m s TYR 49 Cb -0.10 -1.33 0.58 0.00 -0.11 0.00 0.00 41.96 41.00 2a5m s TYR 49 CO 0.01 0.11 1.86 1.49 -1.11 0.00 0.00 175.55 177.91 2a5m h GLU 50 N 4.85 0.52 -5.92 -0.62 4.57 -1.38 0.14 114.58 116.76 2a5m h GLU 50 Ca -0.45 -0.12 -0.53 0.00 -1.18 0.00 0.00 59.36 57.08 2a5m h GLU 50 Cb 1.14 -0.07 -0.16 0.00 -0.16 0.00 0.00 28.75 29.50 2a5m h GLU 50 CO 0.44 0.57 -0.76 1.03 -1.18 0.00 0.00 179.01 179.11 2a5m s ARG 51 N -4.91 1.40 1.09 1.92 0.52 -0.71 -2.28 118.95 115.98 2a5m s ARG 51 Ca -0.07 -1.56 -0.16 0.00 -0.52 0.00 0.00 55.73 53.41 2a5m s ARG 51 Cb 0.15 -1.39 0.13 0.00 0.52 0.00 0.00 34.95 34.36 2a5m s ARG 51 CO 0.77 0.26 0.28 -0.35 0.02 0.00 0.00 175.30 176.28 2a5m n PRO 52 N -0.14 -1.48 -3.11 3.54 -0.04 -1.26 -2.81 135.00 129.70 2a5m n PRO 52 Ca -0.10 -0.41 -0.19 0.00 -0.04 0.00 0.00 63.50 62.76 2a5m n PRO 52 Cb 0.59 -1.82 0.05 0.00 -0.04 0.00 0.00 33.50 32.27 2a5m n PRO 52 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2a5m n ASN 53 N -2.23 -5.53 -4.06 3.54 5.15 -0.92 -3.09 115.26 108.12 2a5m n ASN 53 Ca 0.02 -0.33 -0.29 0.00 -0.60 0.00 0.00 54.58 53.39 2a5m n ASN 53 Cb 0.59 -4.28 -0.04 0.00 -0.53 0.00 0.00 39.78 35.52 2a5m n ASN 53 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2a5m n PHE 54 N -4.44 -1.53 -4.41 1.20 3.72 -1.25 -4.96 117.46 105.79 2a5m n PHE 54 Ca -0.05 0.64 -0.21 0.00 -0.05 0.00 0.00 57.45 57.78 2a5m n PHE 54 Cb 0.58 -3.38 -0.10 0.00 -0.94 0.00 0.00 39.48 35.64 2a5m n PHE 54 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2a5m s SER 55 N -4.27 2.74 0.00 4.37 0.01 -1.12 -5.04 113.70 110.39 2a5m s SER 55 Ca 0.06 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.16 2a5m s SER 55 Cb -0.03 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2a5m s SER 55 CO 0.93 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.88 2a5m n GLY 56 N -0.55 -1.73 3.76 3.44 0.00 -1.26 -1.74 105.19 107.10 2a5m n GLY 56 Ca -0.06 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 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 2.99 -0.06 1.61 3.76 -1.26 -4.69 115.29 117.65 2a5m s HIS 57 Ca 0.00 1.18 0.05 0.00 -0.15 0.00 0.00 55.06 56.14 2a5m s HIS 57 Cb 0.00 -3.78 -0.02 0.00 1.11 0.00 0.00 32.58 29.89 2a5m s HIS 57 CO 0.00 -2.38 -0.21 0.00 -0.85 0.00 0.00 174.74 171.30 2a5m s MET 58 N -1.04 2.60 -0.01 1.40 0.00 -1.26 -1.84 119.30 119.16 2a5m s MET 58 Ca 0.55 -0.82 0.03 0.00 0.00 0.00 0.00 55.69 55.44 2a5m s MET 58 Cb -0.41 -2.27 -0.01 0.00 0.00 0.00 0.00 34.83 32.14 2a5m s MET 58 CO 0.48 0.44 -0.08 0.71 0.00 0.00 0.00 175.02 176.57 2a5m s TYR 59 N -0.29 0.74 -0.13 3.16 2.02 -0.70 -3.95 117.35 118.20 2a5m s TYR 59 Ca 0.01 -0.14 -0.14 0.00 -0.37 0.00 0.00 57.07 56.43 2a5m s TYR 59 Cb -0.13 -0.48 -0.05 0.00 -0.40 0.00 0.00 41.96 40.90 2a5m s TYR 59 CO 0.03 -0.02 0.31 0.42 -1.57 0.00 0.00 175.55 174.72 2a5m s ILE 60 N -0.18 5.27 -0.25 2.71 1.09 -1.26 -1.03 121.20 127.55 2a5m s ILE 60 Ca 0.03 0.60 0.02 0.00 -1.10 0.00 0.00 60.65 60.20 2a5m s ILE 60 Cb -0.03 -3.64 0.06 0.00 -1.06 0.00 0.00 42.46 37.79 2a5m s ILE 60 CO -0.00 0.42 -0.08 -0.76 -0.10 0.00 0.00 174.94 174.42 2a5m s LEU 61 N 0.18 3.17 0.91 2.97 1.43 0.13 -4.98 118.68 122.49 2a5m s LEU 61 Ca 0.18 -1.36 -0.13 0.00 -1.03 0.00 0.00 54.13 51.80 2a5m s LEU 61 Cb -0.14 -1.41 0.14 0.00 0.03 0.00 0.00 46.19 44.82 2a5m s LEU 61 CO 0.06 -0.22 1.15 -2.16 0.23 0.00 0.00 176.35 175.41 2a5m s PRO 62 N 1.21 1.11 0.31 1.29 0.04 -1.26 -1.58 135.00 136.12 2a5m s PRO 62 Ca -0.07 0.23 -0.28 0.00 0.04 0.00 0.00 61.00 60.92 2a5m s PRO 62 Cb -0.19 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.37 2a5m s PRO 62 CO -0.06 -2.20 1.09 0.94 0.04 0.00 0.00 177.00 176.81 2a5m n GLN 63 N -3.76 1.58 -3.11 4.56 0.00 -1.14 -4.83 117.38 110.69 2a5m n GLN 63 Ca 0.07 0.55 0.00 0.00 -0.00 0.00 0.00 57.00 57.63 2a5m n GLN 63 Cb 0.59 -2.00 0.00 0.00 0.00 0.00 0.00 30.24 28.84 2a5m n GLN 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2a5m n GLY 64 N 1.08 -1.80 3.22 1.69 0.00 -0.71 -4.98 105.19 103.69 2a5m n GLY 64 Ca 0.08 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.83 2.83 -0.44 1.61 -6.30 -1.26 -0.05 118.70 113.27 2a5m s GLU 65 Ca 0.00 -0.85 0.03 0.00 -2.50 0.00 0.00 54.97 51.65 2a5m s GLU 65 Cb 0.00 -2.20 0.12 0.00 0.00 0.00 0.00 34.13 32.05 2a5m s GLU 65 CO 0.00 0.22 0.18 0.71 0.02 0.00 0.00 175.26 176.39 2a5m s TYR 66 N 0.24 3.05 -1.63 5.30 1.51 -0.02 -4.97 117.35 120.82 2a5m s TYR 66 Ca -0.15 -2.91 0.08 0.00 -1.01 0.00 0.00 57.07 53.08 2a5m s TYR 66 Cb -0.17 -2.62 0.42 0.00 -0.11 0.00 0.00 41.96 39.48 2a5m s TYR 66 CO 0.07 -0.82 1.05 -2.30 -1.11 0.00 0.00 175.55 172.44 2a5m n PRO 67 N 3.63 0.16 -3.57 -1.71 -0.02 -1.26 -1.81 135.00 130.41 2a5m n PRO 67 Ca 0.05 0.14 -0.15 0.00 -2.02 0.00 0.00 63.50 61.51 2a5m n PRO 67 Cb 0.36 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.28 2a5m n PRO 67 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2a5m s GLU 68 N -2.37 1.01 0.28 -0.52 2.02 -1.26 -0.82 118.70 117.05 2a5m s GLU 68 Ca 0.09 -0.09 -0.03 0.00 0.02 0.00 0.00 54.97 54.96 2a5m s GLU 68 Cb 0.05 0.47 0.39 0.00 0.10 0.00 0.00 34.13 35.14 2a5m s GLU 68 CO 0.11 -0.35 1.96 0.10 0.02 0.00 0.00 175.26 177.10 2a5m h TYR 69 N 2.94 1.10 0.00 1.61 -0.00 0.97 -1.65 116.97 121.94 2a5m h TYR 69 Ca -0.30 0.02 -0.00 0.00 -0.00 0.00 0.00 58.73 58.46 2a5m h TYR 69 Cb 1.19 -0.37 -0.00 0.00 -0.00 0.00 0.00 36.73 37.55 2a5m h TYR 69 CO 0.38 0.70 -0.01 1.96 -0.00 0.00 0.00 178.16 181.19 2a5m h GLN 70 N 1.19 0.00 0.00 0.10 4.20 -1.85 0.89 115.11 119.65 2a5m h GLN 70 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 2a5m h GLN 70 Cb -0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.65 2a5m h GLN 70 CO -0.07 0.01 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 -1.68 -0.96 114.38 122.39 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 0.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 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 -2.77 0.81 -1.75 2.20 -0.00 0.25 -4.93 117.44 111.25 2a5m n TRP 72 Ca 0.01 -0.57 -0.21 0.00 -0.00 0.00 0.00 57.50 56.73 2a5m n TRP 72 Cb 0.26 -0.09 -0.07 0.00 -0.00 0.00 0.00 31.31 31.40 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 0.73 -1.49 -1.75 5.87 2.81 -0.36 -4.92 117.12 118.00 2a5m n MET 73 Ca 0.18 1.19 -0.39 0.00 -1.81 0.00 0.00 57.70 56.87 2a5m n MET 73 Cb 0.61 -5.62 0.03 0.00 -0.71 0.00 0.00 33.22 27.52 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 -0.53 0.91 0.07 3.03 0.00 -0.85 -4.90 105.19 102.92 2a5m n GLY 74 Ca -0.22 0.10 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 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 1.83 0.04 0.00 0.99 5.85 -1.91 -3.43 115.31 118.68 2a5m h LEU 75 Ca -0.51 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.15 2a5m h LEU 75 Cb 1.29 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 2a5m h LEU 75 CO 0.59 1.00 0.03 -3.20 -0.34 0.00 0.00 178.44 176.52 2a5m n ASN 76 N -3.41 -0.40 -2.07 1.25 5.15 -1.26 -5.04 115.26 109.48 2a5m n ASN 76 Ca -0.01 -1.33 -0.16 0.00 -0.60 0.00 0.00 54.58 52.48 2a5m n ASN 76 Cb 0.92 0.68 0.21 0.00 -0.53 0.00 0.00 39.78 41.06 2a5m n ASN 76 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2a5m n ASP 77 N -1.35 4.06 -4.64 1.20 5.75 -1.26 -4.92 116.55 115.39 2a5m n ASP 77 Ca -0.01 -3.37 -0.38 0.00 -0.01 0.00 0.00 54.79 51.02 2a5m n ASP 77 Cb 0.12 -0.79 -0.09 0.00 -1.03 0.00 0.00 41.12 39.33 2a5m n ASP 77 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2a5m s ARG 78 N -2.98 4.08 -0.08 0.11 3.52 -1.26 -2.20 118.95 120.14 2a5m s ARG 78 Ca 0.53 0.04 -0.03 0.00 -0.13 0.00 0.00 55.73 56.13 2a5m s ARG 78 Cb 0.43 -3.60 0.05 0.00 -1.56 0.00 0.00 34.95 30.27 2a5m s ARG 78 CO 0.11 -0.14 0.16 -0.51 -0.81 0.00 0.00 175.30 174.11 2a5m s LEU 79 N 1.65 0.03 -0.01 -0.88 1.43 -1.25 -4.39 118.68 115.26 2a5m s LEU 79 Ca 0.15 0.33 0.11 0.00 -1.03 0.00 0.00 54.13 53.69 2a5m s LEU 79 Cb -0.15 0.30 -0.16 0.00 0.03 0.00 0.00 46.19 46.21 2a5m s LEU 79 CO 0.08 -0.23 0.29 0.61 0.23 0.00 0.00 176.35 177.33 2a5m n GLY 80 N 5.16 -0.38 3.37 -3.19 0.00 0.02 -4.84 105.19 105.34 2a5m n GLY 80 Ca -0.08 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 2a5m n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a5m s SER 81 N -2.96 -0.39 -0.02 1.61 0.15 -1.13 -3.36 113.70 107.61 2a5m s SER 81 Ca -0.02 0.06 -0.08 0.00 0.70 0.00 0.00 55.95 56.61 2a5m s SER 81 Cb 0.07 0.48 0.01 0.00 -1.71 0.00 0.00 66.02 64.87 2a5m s SER 81 CO 0.45 -0.74 0.17 0.00 1.20 0.00 0.00 173.24 174.32 2a5m s ARG 83 N -1.05 0.38 0.03 0.00 0.52 0.09 -0.72 118.95 118.19 2a5m s ARG 83 Ca -0.11 -0.26 -0.30 0.00 -0.52 0.00 0.00 55.73 54.53 2a5m s ARG 83 Cb -0.06 -0.32 -0.04 0.00 0.52 0.00 0.00 34.95 35.05 2a5m s ARG 83 CO 0.02 0.08 1.05 0.00 0.02 0.00 0.00 175.30 176.47 2a5m s ALA 84 N -0.34 3.24 -0.20 2.13 0.00 -1.26 0.07 121.76 125.40 2a5m s ALA 84 Ca -0.01 0.64 -0.20 0.00 0.00 0.00 0.00 51.96 52.40 2a5m s ALA 84 Cb -0.03 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2a5m s ALA 84 CO -0.00 -0.28 0.59 0.08 0.00 0.00 0.00 175.76 176.14 2a5m s VAL 85 N 0.95 5.05 -0.02 0.00 1.01 0.29 -4.88 120.40 122.80 2a5m s VAL 85 Ca 0.54 1.09 -0.19 0.00 0.00 0.00 0.00 61.98 63.42 2a5m s VAL 85 Cb -0.24 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 2a5m s VAL 85 CO 0.29 0.13 0.53 -1.00 0.00 0.00 0.00 175.10 175.05 2a5m s HIS 86 N 1.83 3.67 -0.12 5.22 3.76 -1.26 -4.10 115.29 124.28 2a5m s HIS 86 Ca 0.27 1.11 -0.08 0.00 -0.15 0.00 0.00 55.06 56.21 2a5m s HIS 86 Cb -0.16 -2.53 -0.04 0.00 1.11 0.00 0.00 32.58 30.96 2a5m s HIS 86 CO 0.10 0.39 0.15 -0.51 -0.85 0.00 0.00 174.74 174.03 2a5m s LEU 87 N -0.29 4.37 -0.17 0.89 1.43 -1.26 -4.74 118.68 118.92 2a5m s LEU 87 Ca 0.28 0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 53.83 2a5m s LEU 87 Cb -0.17 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 2a5m s LEU 87 CO 0.15 0.37 -0.09 -0.94 0.23 0.00 0.00 176.35 176.07 2a5m s SER 88 N -0.84 4.13 0.00 2.29 1.04 -1.26 -5.06 113.70 113.99 2a5m s SER 88 Ca 0.15 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2a5m s SER 88 Cb -0.12 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.33 2a5m s SER 88 CO 0.04 0.09 0.00 -0.24 0.98 0.00 0.00 173.24 174.10 2a5m n SER 89 N 4.06 0.15 0.00 7.02 2.88 -1.26 -4.85 113.62 121.62 2a5m n SER 89 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 2a5m n SER 89 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 2a5m n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2a5m n GLY 90 N 5.00 4.07 0.00 0.46 0.00 -1.26 -5.03 105.19 108.43 2a5m n GLY 90 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.71 3.12 -0.02 0.00 -1.26 -5.12 105.19 100.21 2a5m n GLY 91 Ca 0.00 0.77 -0.33 0.00 0.00 0.00 0.00 46.02 46.46 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 2.86 0.09 1.61 -0.44 -1.26 -5.10 119.66 117.42 2a5m s GLN 92 Ca 0.00 -0.93 -0.30 0.00 -2.50 0.00 0.00 55.36 51.63 2a5m s GLN 92 Cb 0.00 -2.66 -0.06 0.00 -1.64 0.00 0.00 33.01 28.65 2a5m s GLN 92 CO 0.00 -0.28 1.11 0.00 0.50 0.00 0.00 175.29 176.62 2a5m s ALA 93 N 1.26 3.33 -0.02 1.58 0.00 -1.26 -5.04 121.76 121.62 2a5m s ALA 93 Ca 0.02 0.77 0.03 0.00 0.00 0.00 0.00 51.96 52.78 2a5m s ALA 93 Cb -0.14 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.59 2a5m s ALA 93 CO -0.11 -0.30 -0.11 0.21 0.00 0.00 0.00 175.76 175.45 2a5m s LYS 94 N 0.54 1.05 0.02 0.00 2.20 -1.26 -4.58 119.74 117.70 2a5m s LYS 94 Ca 0.54 -0.39 0.06 0.00 -0.36 0.00 0.00 55.97 55.83 2a5m s LYS 94 Cb -0.28 -0.98 -0.02 0.00 -1.51 0.00 0.00 37.83 35.04 2a5m s LYS 94 CO 0.31 0.18 -0.20 -1.50 -0.36 0.00 0.00 175.35 173.79 2a5m s ILE 95 N -0.01 1.56 -0.07 5.43 2.07 -0.88 -4.37 121.20 124.93 2a5m s ILE 95 Ca -0.00 -1.01 0.04 0.00 -1.41 0.00 0.00 60.65 58.27 2a5m s ILE 95 Cb -0.07 -1.33 0.00 0.00 0.13 0.00 0.00 42.46 41.19 2a5m s ILE 95 CO 0.00 0.30 -0.18 0.00 -1.91 0.00 0.00 174.94 173.15 2a5m s GLN 96 N -0.83 2.15 0.08 3.50 -2.07 -1.26 -1.76 119.66 119.47 2a5m s GLN 96 Ca 0.07 -0.64 0.08 0.00 -1.82 0.00 0.00 55.36 53.05 2a5m s GLN 96 Cb -0.08 -1.75 -0.03 0.00 -1.09 0.00 0.00 33.01 30.06 2a5m s GLN 96 CO 0.01 0.17 -0.21 0.14 -1.32 0.00 0.00 175.29 174.08 2a5m s VAL 97 N 0.30 1.68 -0.02 3.63 -7.23 -0.46 -3.15 120.40 115.16 2a5m s VAL 97 Ca -0.11 -1.41 0.07 0.00 -1.81 0.00 0.00 61.98 58.71 2a5m s VAL 97 Cb -0.15 -1.51 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 2a5m s VAL 97 CO 0.05 0.03 -0.22 -0.36 -0.31 0.00 0.00 175.10 174.29 2a5m s PHE 98 N -1.03 2.46 0.39 2.82 0.40 -0.87 -1.86 117.98 120.28 2a5m s PHE 98 Ca 0.07 -0.34 0.13 0.00 -0.60 0.00 0.00 56.93 56.18 2a5m s PHE 98 Cb -0.10 -1.52 0.77 0.00 0.51 0.00 0.00 43.02 42.69 2a5m s PHE 98 CO 0.03 0.07 1.86 1.49 0.70 0.00 0.00 175.22 179.37 2a5m h GLU 99 N 5.28 0.01 -5.86 0.44 4.81 -1.14 -3.35 114.58 114.78 2a5m h GLU 99 Ca -0.45 -0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.19 2a5m h GLU 99 Cb 1.13 -0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.41 2a5m h GLU 99 CO 0.48 0.34 -0.57 0.15 -0.73 0.00 0.00 179.01 178.68 2a5m s LYS 100 N -4.30 2.09 0.93 1.92 1.02 0.12 -4.42 119.74 117.09 2a5m s LYS 100 Ca -0.03 -1.90 -0.11 0.00 0.02 0.00 0.00 55.97 53.94 2a5m s LYS 100 Cb 0.15 -1.85 0.15 0.00 -0.52 0.00 0.00 37.83 35.75 2a5m s LYS 100 CO 0.72 -0.02 1.09 0.20 -0.92 0.00 0.00 175.35 176.42 2a5m s GLY 101 N -3.78 1.62 -1.45 -3.33 0.00 -1.26 -3.07 107.32 96.04 2a5m s GLY 101 Ca 0.37 0.04 -0.11 0.00 0.00 0.00 0.00 44.72 45.03 2a5m s GLY 101 CO 0.20 0.54 1.00 1.22 0.00 0.00 0.00 173.10 176.07 2a5m n ASP 102 N -4.06 -5.61 -3.65 1.64 8.00 0.44 -2.76 116.55 110.55 2a5m n ASP 102 Ca 0.07 -0.60 -0.25 0.00 0.71 0.00 0.00 54.79 54.72 2a5m n ASP 102 Cb 0.54 -4.46 0.04 0.00 -0.02 0.00 0.00 41.12 37.22 2a5m n ASP 102 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2a5m n PHE 103 N -4.77 -1.96 -4.37 1.24 3.72 -1.25 -5.00 117.46 105.07 2a5m n PHE 103 Ca 0.01 0.67 -0.19 0.00 -0.05 0.00 0.00 57.45 57.89 2a5m n PHE 103 Cb 0.55 -3.88 -0.10 0.00 -0.94 0.00 0.00 39.48 35.11 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 -3.84 2.09 0.00 4.37 0.01 -1.11 -5.01 114.94 111.44 2a5m s ASN 104 Ca 0.27 -1.25 0.00 0.00 -0.71 0.00 0.00 52.86 51.17 2a5m s ASN 104 Cb -0.08 -0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.54 2a5m s ASN 104 CO 0.83 -0.50 0.00 0.61 -1.51 0.00 0.00 177.10 176.53 2a5m n GLY 105 N -0.50 -1.80 3.78 0.66 0.00 -1.26 0.13 105.19 106.20 2a5m n GLY 105 Ca -0.04 -1.79 -0.37 0.00 0.00 0.00 0.00 46.02 43.81 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 4.24 -0.01 1.61 0.74 -1.26 -4.67 119.66 120.31 2a5m s GLN 106 Ca 0.00 1.55 0.06 0.00 0.05 0.00 0.00 55.36 57.02 2a5m s GLN 106 Cb 0.00 -2.64 -0.03 0.00 1.10 0.00 0.00 33.01 31.44 2a5m s GLN 106 CO 0.00 -0.08 -0.19 1.41 -0.55 0.00 0.00 175.29 175.88 2a5m s MET 107 N -2.33 2.24 -0.03 1.67 -2.45 -1.26 -1.22 119.30 115.91 2a5m s MET 107 Ca 0.56 -0.86 0.03 0.00 -1.25 0.00 0.00 55.69 54.17 2a5m s MET 107 Cb -0.23 -2.22 0.00 0.00 1.25 0.00 0.00 34.83 33.63 2a5m s MET 107 CO 0.29 0.58 -0.11 0.71 1.05 0.00 0.00 175.02 177.54 2a5m s TYR 108 N -0.76 1.19 -0.06 4.11 2.02 -0.78 -4.97 117.35 118.10 2a5m s TYR 108 Ca 0.12 -0.32 0.06 0.00 -0.37 0.00 0.00 57.07 56.55 2a5m s TYR 108 Cb -0.10 -0.83 -0.01 0.00 -0.40 0.00 0.00 41.96 40.61 2a5m s TYR 108 CO 0.02 -0.13 -0.23 -2.00 -1.57 0.00 0.00 175.55 171.63 2a5m s GLU 109 N 0.20 2.41 0.03 -0.62 -6.30 -1.26 -1.35 118.70 111.80 2a5m s GLU 109 Ca -0.04 -0.84 -0.14 0.00 -2.50 0.00 0.00 54.97 51.45 2a5m s GLU 109 Cb -0.10 -2.03 0.02 0.00 0.00 0.00 0.00 34.13 32.02 2a5m s GLU 109 CO 0.01 0.34 0.30 -0.08 0.02 0.00 0.00 175.26 175.85 2a5m s THR 110 N -0.09 0.08 -0.99 -1.70 -1.32 -0.72 -5.00 115.64 105.90 2a5m s THR 110 Ca -0.04 -0.65 0.11 0.00 -1.21 0.00 0.00 61.69 59.90 2a5m s THR 110 Cb -0.13 -0.85 0.30 0.00 -1.51 0.00 0.00 72.50 70.31 2a5m s THR 110 CO 0.04 -0.36 1.24 0.35 -2.21 0.00 0.00 174.62 173.68 2a5m n THR 111 N 0.76 0.94 -4.49 5.08 -2.24 -1.26 -2.07 114.28 111.00 2a5m n THR 111 Ca -0.19 -0.97 -0.24 0.00 -2.27 0.00 0.00 64.05 60.38 2a5m n THR 111 Cb 0.58 0.54 -0.10 0.00 -2.10 0.00 0.00 70.33 69.26 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 1.70 0.70 -0.78 2.02 -1.26 -4.92 118.70 115.17 2a5m s GLU 112 Ca 0.23 -1.84 -0.15 0.00 0.02 0.00 0.00 54.97 53.24 2a5m s GLU 112 Cb 0.12 -1.59 0.02 0.00 0.10 0.00 0.00 34.13 32.78 2a5m s GLU 112 CO 0.16 0.18 1.15 -0.51 0.02 0.00 0.00 175.26 176.27 2a5m s ASP 113 N -3.53 4.61 -0.23 -0.19 1.11 -1.26 -4.97 116.67 112.22 2a5m s ASP 113 Ca 0.31 2.15 0.01 0.00 0.18 0.00 0.00 52.55 55.20 2a5m s ASP 113 Cb 0.00 -2.57 0.05 0.00 1.07 0.00 0.00 42.92 41.48 2a5m s ASP 113 CO 0.15 -1.97 -0.08 0.00 1.18 0.00 0.00 175.17 174.45 2a5m h PRO 115 N 7.92 0.13 -2.85 0.00 0.13 -1.87 -2.25 132.00 133.22 2a5m h PRO 115 Ca -0.21 -0.14 -0.43 0.00 -0.87 0.00 0.00 66.00 64.35 2a5m h PRO 115 Cb 1.07 0.04 -0.39 0.00 0.13 0.00 0.00 31.00 31.85 2a5m h PRO 115 CO 0.44 0.89 -0.72 0.45 -0.23 0.00 0.00 178.00 178.83 2a5m s SER 116 N -6.88 2.22 0.25 1.44 0.15 -1.25 -2.07 113.70 107.56 2a5m s SER 116 Ca -0.02 -0.60 -0.05 0.00 0.70 0.00 0.00 55.95 55.98 2a5m s SER 116 Cb 0.11 -0.07 0.28 0.00 -1.71 0.00 0.00 66.02 64.63 2a5m s SER 116 CO 0.81 -0.36 1.82 0.40 1.20 0.00 0.00 173.24 177.12 2a5m h ILE 117 N 6.38 1.24 -0.43 6.45 2.04 -0.69 -1.97 117.51 130.53 2a5m h ILE 117 Ca -0.16 -0.76 -0.09 0.00 1.00 0.00 0.00 64.86 64.84 2a5m h ILE 117 Cb 1.13 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 2a5m h ILE 117 CO 0.31 0.31 -0.11 -0.03 0.00 0.00 0.00 178.15 178.63 2a5m h MET 118 N 1.04 0.78 -0.30 2.37 4.05 -1.80 0.29 114.93 121.36 2a5m h MET 118 Ca 0.24 -0.26 -0.18 0.00 -0.28 0.00 0.00 59.70 59.22 2a5m h MET 118 Cb 0.20 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 30.93 2a5m h MET 118 CO -0.02 0.86 -0.51 1.49 0.23 0.00 0.00 176.91 178.96 2a5m h GLU 119 N 0.71 0.84 0.04 0.39 4.81 -1.83 -0.02 114.58 119.53 2a5m h GLU 119 Ca 0.12 -0.51 -0.08 0.00 -0.13 0.00 0.00 59.36 58.76 2a5m h GLU 119 Cb 0.59 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.03 2a5m h GLU 119 CO 0.04 1.15 -0.36 0.37 -0.73 0.00 0.00 179.01 179.47 2a5m h GLN 120 N 0.66 0.09 -0.01 1.92 4.15 -1.15 -3.40 115.11 117.38 2a5m h GLN 120 Ca 0.02 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.28 2a5m h GLN 120 Cb 1.11 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.86 2a5m h GLN 120 CO 0.11 1.08 -0.07 1.19 -1.93 0.00 0.00 178.83 179.21 2a5m n PHE 121 N -4.43 0.00 -2.82 3.99 3.72 0.99 -4.99 117.46 113.92 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 0.02 0.00 -0.94 0.00 0.00 39.48 39.17 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 0.23 -1.62 -4.83 1.38 8.25 -0.02 -4.96 115.22 113.64 2a5m n HIS 122 Ca 0.05 0.37 -0.33 0.00 -0.26 0.00 0.00 57.72 57.55 2a5m n HIS 122 Cb 0.22 -4.19 -0.14 0.00 1.12 0.00 0.00 29.99 27.00 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 -6.16 2.74 0.15 2.41 1.43 -1.24 -4.95 118.68 113.05 2a5m s LEU 123 Ca 0.21 -0.25 0.21 0.00 -1.03 0.00 0.00 54.13 53.27 2a5m s LEU 123 Cb -0.09 -1.58 -0.06 0.00 0.03 0.00 0.00 46.19 44.48 2a5m s LEU 123 CO 0.26 0.26 0.94 -2.11 0.23 0.00 0.00 176.35 175.94 2a5m n ARG 124 N 2.86 0.61 -3.91 1.70 1.85 -1.26 -3.39 116.66 115.12 2a5m n ARG 124 Ca -0.18 0.13 -0.09 0.00 -1.00 0.00 0.00 57.85 56.71 2a5m n ARG 124 Cb 0.52 -1.80 -0.06 0.00 -1.05 0.00 0.00 32.46 30.07 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 -3.24 1.20 -0.10 2.89 2.02 -1.26 -4.56 118.70 115.65 2a5m s GLU 125 Ca -0.02 -1.10 0.01 0.00 0.02 0.00 0.00 54.97 53.89 2a5m s GLU 125 Cb 0.09 0.41 0.02 0.00 0.10 0.00 0.00 34.13 34.75 2a5m s GLU 125 CO 0.80 -0.46 -0.11 0.42 0.02 0.00 0.00 175.26 175.93 2a5m s ILE 126 N -3.94 1.24 -0.29 -1.63 -1.09 -0.87 -4.89 121.20 109.72 2a5m s ILE 126 Ca 0.15 -0.46 0.12 0.00 -2.23 0.00 0.00 60.65 58.22 2a5m s ILE 126 Cb 0.02 -1.18 -0.15 0.00 -1.58 0.00 0.00 42.46 39.57 2a5m s ILE 126 CO -0.01 0.39 0.38 1.41 -1.23 0.00 0.00 174.94 175.89 2a5m n HIS 127 N 4.46 0.00 -3.49 3.97 8.25 -1.25 -4.72 115.22 122.44 2a5m n HIS 127 Ca -0.17 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.14 2a5m n HIS 127 Cb 0.51 -0.13 -0.04 0.00 1.12 0.00 0.00 29.99 31.44 2a5m n HIS 127 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2a5m s SER 128 N -2.70 -0.60 -0.27 0.41 1.04 -1.25 -2.33 113.70 108.00 2a5m s SER 128 Ca 0.00 0.43 -0.26 0.00 0.48 0.00 0.00 55.95 56.61 2a5m s SER 128 Cb 0.08 0.54 0.12 0.00 0.10 0.00 0.00 66.02 66.85 2a5m s SER 128 CO 0.48 -0.71 0.99 0.00 0.98 0.00 0.00 173.24 174.98 2a5m s LYS 130 N 0.11 1.53 -0.03 0.00 -2.85 -1.19 -1.91 119.74 115.40 2a5m s LYS 130 Ca 0.02 -1.99 0.02 0.00 -1.00 0.00 0.00 55.97 53.02 2a5m s LYS 130 Cb -0.05 -3.11 -0.03 0.00 -2.06 0.00 0.00 37.83 32.58 2a5m s LYS 130 CO -0.04 -0.99 -0.05 0.54 0.10 0.00 0.00 175.35 174.91 2a5m s VAL 131 N 0.67 3.82 -0.43 1.79 0.11 -1.24 -4.18 120.40 120.93 2a5m s VAL 131 Ca 0.12 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 58.60 2a5m s VAL 131 Cb -0.21 -2.63 0.13 0.00 -1.53 0.00 0.00 36.38 32.14 2a5m s VAL 131 CO -0.07 0.47 0.21 -0.69 -3.33 0.00 0.00 175.10 171.69 2a5m s VAL 132 N -0.94 1.69 0.07 2.04 1.01 -1.26 -3.35 120.40 119.65 2a5m s VAL 132 Ca 0.16 -2.56 0.00 0.00 0.00 0.00 0.00 61.98 59.58 2a5m s VAL 132 Cb -0.11 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.07 2a5m s VAL 132 CO 0.06 -0.81 0.00 1.21 0.00 0.00 0.00 175.10 175.55 2a5m n GLU 133 N 3.69 0.00 0.00 2.72 2.13 -1.25 -4.79 120.64 123.13 2a5m n GLU 133 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 2a5m n GLU 133 Cb 0.36 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.07 2a5m n GLU 133 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2a5m n GLY 134 N 0.42 1.75 2.53 8.31 0.00 0.12 -4.60 105.19 113.72 2a5m n GLY 134 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2a5m n GLY 134 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a5m n THR 135 N -0.29 2.20 -4.44 2.61 -2.24 -1.26 -4.71 114.28 106.15 2a5m n THR 135 Ca 0.00 -5.19 -0.22 0.00 -2.27 0.00 0.00 64.05 56.37 2a5m n THR 135 Cb 0.00 -1.83 -0.16 0.00 -2.10 0.00 0.00 70.33 66.24 2a5m n THR 135 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2a5m s TRP 136 N -2.64 1.11 -0.05 4.78 0.52 -1.25 -0.73 118.94 120.68 2a5m s TRP 136 Ca 0.42 -0.33 0.06 0.00 0.02 0.00 0.00 56.10 56.27 2a5m s TRP 136 Cb 0.19 -0.82 -0.01 0.00 -1.15 0.00 0.00 33.47 31.68 2a5m s TRP 136 CO -0.06 -0.17 -0.25 0.42 0.02 0.00 0.00 176.95 176.92 2a5m s ILE 137 N 0.44 2.10 -0.02 2.03 1.01 -0.59 -1.06 121.20 125.11 2a5m s ILE 137 Ca -0.08 -1.06 0.03 0.00 0.00 0.00 0.00 60.65 59.55 2a5m s ILE 137 Cb -0.12 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 2a5m s ILE 137 CO 0.01 0.57 -0.11 -0.36 0.00 0.00 0.00 174.94 175.06 2a5m s PHE 138 N -0.25 2.79 0.06 3.97 0.40 -0.33 -1.74 117.98 122.87 2a5m s PHE 138 Ca -0.01 -0.10 0.08 0.00 -0.60 0.00 0.00 56.93 56.31 2a5m s PHE 138 Cb -0.13 -1.61 -0.03 0.00 0.51 0.00 0.00 43.02 41.76 2a5m s PHE 138 CO 0.03 0.29 -0.22 0.71 0.70 0.00 0.00 175.22 176.73 2a5m s TYR 139 N -0.87 1.95 0.20 0.36 1.51 -0.15 -0.46 117.35 119.89 2a5m s TYR 139 Ca 0.14 -0.39 0.07 0.00 -1.01 0.00 0.00 57.07 55.88 2a5m s TYR 139 Cb -0.11 -1.14 0.11 0.00 -0.11 0.00 0.00 41.96 40.72 2a5m s TYR 139 CO 0.04 0.14 1.46 1.49 -1.11 0.00 0.00 175.55 177.57 2a5m h GLU 140 N 4.65 0.09 -6.41 -0.62 4.81 -1.29 -1.83 114.58 113.97 2a5m h GLU 140 Ca -0.45 -0.09 -0.62 0.00 -0.13 0.00 0.00 59.36 58.08 2a5m h GLU 140 Cb 1.16 0.02 -0.14 0.00 0.63 0.00 0.00 28.75 30.42 2a5m h GLU 140 CO 0.43 0.82 -0.73 -0.51 -0.73 0.00 0.00 179.01 178.28 2a5m s LEU 141 N -7.40 2.88 1.12 1.64 1.43 -0.04 -3.73 118.68 114.58 2a5m s LEU 141 Ca -0.02 -0.68 -0.14 0.00 -1.03 0.00 0.00 54.13 52.27 2a5m s LEU 141 Cb 0.11 -1.54 0.21 0.00 0.03 0.00 0.00 46.19 45.01 2a5m s LEU 141 CO 0.80 0.08 0.73 -0.81 0.23 0.00 0.00 176.35 177.39 2a5m n PRO 142 N -0.13 -1.89 -2.58 1.29 -0.04 -1.26 -2.50 135.00 127.89 2a5m n PRO 142 Ca -0.10 -0.52 -0.21 0.00 -0.04 0.00 0.00 63.50 62.63 2a5m n PRO 142 Cb 0.56 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 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 -3.82 -5.88 -3.49 3.54 5.15 -0.88 -2.79 115.26 107.10 2a5m n ASN 143 Ca 0.04 -0.08 -0.18 0.00 -0.60 0.00 0.00 54.58 53.75 2a5m n ASN 143 Cb 0.56 -4.85 0.07 0.00 -0.53 0.00 0.00 39.78 35.02 2a5m n ASN 143 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2a5m n TYR 144 N -4.12 -2.14 -4.42 1.20 4.01 -1.23 -5.02 117.16 105.45 2a5m n TYR 144 Ca -0.21 0.88 -0.21 0.00 -0.16 0.00 0.00 57.90 58.21 2a5m n TYR 144 Cb 0.67 -4.69 -0.10 0.00 -0.31 0.00 0.00 39.34 34.90 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 -5.42 1.52 0.82 -0.72 1.81 -1.04 -5.02 118.95 110.90 2a5m s ARG 145 Ca 0.08 -1.77 0.00 0.00 -1.72 0.00 0.00 55.73 52.32 2a5m s ARG 145 Cb -0.01 -1.09 0.00 0.00 -0.45 0.00 0.00 34.95 33.40 2a5m s ARG 145 CO 0.76 0.02 0.00 0.41 -0.68 0.00 0.00 175.30 175.81 2a5m n GLY 146 N -0.56 -1.82 3.77 -3.53 0.00 -1.26 -0.86 105.19 100.93 2a5m n GLY 146 Ca -0.05 -1.66 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 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 4.20 0.08 1.61 3.52 -1.26 -4.70 118.95 122.39 2a5m s ARG 147 Ca 0.00 1.96 0.06 0.00 -0.13 0.00 0.00 55.73 57.63 2a5m s ARG 147 Cb 0.00 -2.85 -0.04 0.00 -1.56 0.00 0.00 34.95 30.50 2a5m s ARG 147 CO 0.00 -0.24 -0.11 -0.65 -0.81 0.00 0.00 175.30 173.50 2a5m s GLN 148 N -2.05 2.19 -0.07 5.12 -0.21 -1.25 -1.48 119.66 121.91 2a5m s GLN 148 Ca 0.53 -0.96 0.04 0.00 0.02 0.00 0.00 55.36 54.99 2a5m s GLN 148 Cb -0.34 -2.32 -0.00 0.00 1.00 0.00 0.00 33.01 31.35 2a5m s GLN 148 CO 0.44 0.53 -0.21 0.71 -2.12 0.00 0.00 175.29 174.64 2a5m s TYR 149 N -1.13 2.14 -0.25 0.91 2.02 0.39 -4.61 117.35 116.82 2a5m s TYR 149 Ca 0.20 -0.75 -0.15 0.00 -0.37 0.00 0.00 57.07 56.00 2a5m s TYR 149 Cb -0.11 -1.44 -0.04 0.00 -0.40 0.00 0.00 41.96 39.97 2a5m s TYR 149 CO 0.11 -0.28 0.38 -1.17 -1.57 0.00 0.00 175.55 173.02 2a5m s LEU 150 N 0.19 4.07 0.32 -1.29 2.96 -1.26 -1.19 118.68 122.48 2a5m s LEU 150 Ca -0.11 0.35 0.03 0.00 -0.22 0.00 0.00 54.13 54.18 2a5m s LEU 150 Cb -0.15 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 2a5m s LEU 150 CO 0.05 -0.15 0.48 -0.76 -1.32 0.00 0.00 176.35 174.65 2a5m s LEU 151 N 1.85 4.08 0.00 -0.68 1.02 -0.23 -4.99 118.68 119.73 2a5m s LEU 151 Ca 0.16 0.21 0.00 0.00 0.02 0.00 0.00 54.13 54.52 2a5m s LEU 151 Cb -0.15 -3.06 0.00 0.00 0.02 0.00 0.00 46.19 43.00 2a5m s LEU 151 CO 0.09 -0.28 0.00 0.47 0.02 0.00 0.00 176.35 176.65 2a5m n ASP 152 N -1.67 0.00 -1.38 2.29 9.92 -1.26 -3.96 116.55 120.48 2a5m n ASP 152 Ca -0.05 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.19 2a5m n ASP 152 Cb 0.57 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.03 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 0.00 0.16 -0.81 -1.24 2.85 -1.26 0.16 118.16 118.02 2a5m n LYS 153 Ca 0.00 -1.53 0.00 0.00 -1.05 0.00 0.00 58.31 55.73 2a5m n LYS 153 Cb 0.00 0.20 0.00 0.00 -0.65 0.00 0.00 35.03 34.58 2a5m n LYS 153 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2a5m n LYS 154 N 0.08 2.40 -3.74 -1.58 5.02 -1.21 -4.48 118.16 114.65 2a5m n LYS 154 Ca -0.12 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.80 2a5m n LYS 154 Cb 0.89 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.78 2a5m n LYS 154 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2a5m s GLU 155 N -0.16 3.50 -0.37 1.97 0.41 -1.26 -3.62 118.70 119.17 2a5m s GLU 155 Ca 0.00 -0.58 -0.16 0.00 -0.41 0.00 0.00 54.97 53.82 2a5m s GLU 155 Cb 0.00 -3.37 0.00 0.00 -1.78 0.00 0.00 34.13 28.98 2a5m s GLU 155 CO 0.00 -0.27 0.38 0.71 -0.49 0.00 0.00 175.26 175.58 2a5m s TYR 156 N 1.59 3.20 -0.09 1.61 1.51 -0.80 -4.94 117.35 119.43 2a5m s TYR 156 Ca 0.05 -0.20 0.15 0.00 -1.01 0.00 0.00 57.07 56.07 2a5m s TYR 156 Cb -0.16 -2.73 -0.17 0.00 -0.11 0.00 0.00 41.96 38.79 2a5m s TYR 156 CO 0.04 -0.53 0.77 2.89 -1.11 0.00 0.00 175.55 177.60 2a5m n ARG 157 N 5.42 0.62 -4.30 -0.62 1.85 -1.26 -2.03 116.66 116.34 2a5m n ARG 157 Ca -0.09 0.26 -0.20 0.00 -1.00 0.00 0.00 57.85 56.82 2a5m n ARG 157 Cb 0.49 -1.81 -0.11 0.00 -1.05 0.00 0.00 32.46 29.98 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 -2.80 1.20 0.26 2.89 1.02 -1.25 -0.42 119.74 120.63 2a5m s LYS 158 Ca -0.04 -1.40 -0.05 0.00 0.02 0.00 0.00 55.97 54.51 2a5m s LYS 158 Cb 0.08 -1.12 0.30 0.00 -0.52 0.00 0.00 37.83 36.57 2a5m s LYS 158 CO 0.82 0.21 1.86 -1.00 -0.92 0.00 0.00 175.35 176.32 2a5m h PRO 159 N 3.17 1.10 0.00 -1.68 0.13 -1.77 -1.72 132.00 131.23 2a5m h PRO 159 Ca -0.40 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2a5m h PRO 159 Cb 1.21 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2a5m h PRO 159 CO 0.54 0.84 0.00 0.28 -0.23 0.00 0.00 178.00 179.43 2a5m h VAL 160 N 1.10 0.00 0.00 1.56 2.07 -1.91 -2.00 116.25 117.06 2a5m h VAL 160 Ca 0.27 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.76 2a5m h VAL 160 Cb 0.10 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2a5m h VAL 160 CO -0.04 0.00 0.00 0.44 0.02 0.00 0.00 177.57 177.99 2a5m h ASP 161 N 0.00 0.00 -0.60 0.57 3.32 -1.61 -2.10 116.42 116.00 2a5m h ASP 161 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2a5m h ASP 161 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2a5m h ASP 161 CO 0.00 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 174.85 2a5m n TRP 162 N -2.82 1.58 -0.74 4.55 2.14 -0.75 -4.92 117.44 116.48 2a5m n TRP 162 Ca -0.00 -0.66 0.00 0.00 2.07 0.00 0.00 57.50 58.91 2a5m n TRP 162 Cb 0.18 -0.31 0.00 0.00 -0.81 0.00 0.00 31.31 30.37 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 0.63 3.87 -1.67 0.00 -0.79 -4.57 105.19 103.54 2a5m n GLY 163 Ca 0.26 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.26 4.61 0.00 -1.25 -4.98 121.76 120.72 2a5m s ALA 164 Ca 0.00 -0.66 0.27 0.00 0.00 0.00 0.00 51.96 51.57 2a5m s ALA 164 Cb 0.00 -1.93 0.95 0.00 0.00 0.00 0.00 23.12 22.15 2a5m s ALA 164 CO 0.00 0.63 1.71 0.00 0.00 0.00 0.00 175.76 178.10 2a5m n ALA 165 N 1.90 2.93 -2.93 0.00 0.00 -1.26 -3.90 120.51 117.25 2a5m n ALA 165 Ca -0.19 -0.26 -0.09 0.00 0.00 0.00 0.00 53.44 52.90 2a5m n ALA 165 Cb 0.55 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 2a5m n ALA 165 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2a5m s SER 166 N -2.80 0.23 0.00 0.00 1.04 -1.26 -5.00 113.70 105.92 2a5m s SER 166 Ca 0.18 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.11 2a5m s SER 166 Cb 0.19 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2a5m s SER 166 CO 0.57 -0.34 0.64 -0.81 0.98 0.00 0.00 173.24 174.29 2a5m n PRO 167 N 1.45 0.83 -2.75 4.02 -0.04 -1.26 -4.82 135.00 132.43 2a5m n PRO 167 Ca -0.23 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.81 2a5m n PRO 167 Cb 0.56 -1.19 -0.03 0.00 -0.04 0.00 0.00 33.50 32.80 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 -1.55 3.62 -0.20 0.55 0.00 -1.26 -2.05 121.76 120.86 2a5m s ALA 168 Ca 0.00 0.12 -0.09 0.00 0.00 0.00 0.00 51.96 51.99 2a5m s ALA 168 Cb 0.00 -3.43 0.08 0.00 0.00 0.00 0.00 23.12 19.77 2a5m s ALA 168 CO 0.00 -0.90 0.45 0.42 0.00 0.00 0.00 175.76 175.73 2a5m s ILE 169 N 2.80 -0.41 -0.37 0.00 1.09 -1.26 -4.56 121.20 118.49 2a5m s ILE 169 Ca 0.42 0.12 0.06 0.00 -1.10 0.00 0.00 60.65 60.15 2a5m s ILE 169 Cb -0.16 -0.70 -0.05 0.00 -1.06 0.00 0.00 42.46 40.49 2a5m s ILE 169 CO 0.09 0.05 0.32 0.00 -0.10 0.00 0.00 174.94 175.30 2a5m n GLN 170 N 4.93 4.31 -3.52 2.79 1.13 -0.69 -4.58 117.38 121.75 2a5m n GLN 170 Ca -0.15 -0.12 -0.12 0.00 -1.94 0.00 0.00 57.00 54.68 2a5m n GLN 170 Cb 0.52 -0.84 -0.04 0.00 0.11 0.00 0.00 30.24 30.00 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 -1.46 -0.44 0.04 1.08 1.04 -1.22 -0.00 113.70 112.74 2a5m s SER 171 Ca 0.03 -0.05 -0.18 0.00 0.48 0.00 0.00 55.95 56.23 2a5m s SER 171 Cb 0.05 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.74 2a5m s SER 171 CO 0.23 -0.87 0.40 0.72 0.98 0.00 0.00 173.24 174.70 2a5m s PHE 172 N -3.44 -0.26 0.01 5.02 -0.12 -0.85 -0.98 117.98 117.37 2a5m s PHE 172 Ca 0.00 0.24 -0.07 0.00 -0.05 0.00 0.00 56.93 57.05 2a5m s PHE 172 Cb 0.00 0.20 -0.00 0.00 -0.63 0.00 0.00 43.02 42.59 2a5m s PHE 172 CO -0.10 -0.55 0.13 1.03 -0.05 0.00 0.00 175.22 175.68 2a5m s ARG 173 N -2.35 0.49 0.16 1.99 0.52 -0.71 -1.97 118.95 117.08 2a5m s ARG 173 Ca -0.06 -0.44 -0.19 0.00 -0.52 0.00 0.00 55.73 54.52 2a5m s ARG 173 Cb -0.01 0.20 -0.07 0.00 0.52 0.00 0.00 34.95 35.58 2a5m s ARG 173 CO -0.02 -0.12 0.65 -0.98 0.02 0.00 0.00 175.30 174.86 2a5m s ARG 174 N -1.48 4.22 -0.16 3.54 1.70 -1.26 -1.54 118.95 123.96 2a5m s ARG 174 Ca -0.14 0.79 -0.16 0.00 -0.47 0.00 0.00 55.73 55.75 2a5m s ARG 174 Cb -0.07 -3.04 -0.04 0.00 -0.57 0.00 0.00 34.95 31.22 2a5m s ARG 174 CO 0.01 0.51 0.37 0.42 -1.08 0.00 0.00 175.30 175.53 2a5m s ILE 175 N -1.34 5.24 0.03 4.99 1.01 0.09 -4.96 121.20 126.26 2a5m s ILE 175 Ca 0.37 0.70 0.01 0.00 0.00 0.00 0.00 60.65 61.73 2a5m s ILE 175 Cb -0.18 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 2a5m s ILE 175 CO 0.21 0.33 -0.05 0.68 0.00 0.00 0.00 174.94 176.11 2a5m s VAL 176 N 0.77 0.30 0.00 2.92 -7.23 -1.26 -4.81 120.40 111.08 2a5m s VAL 176 Ca 0.20 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 2a5m s VAL 176 Cb -0.14 -0.39 0.00 0.00 0.56 0.00 0.00 36.38 36.41 2a5m s VAL 176 CO 0.07 -0.37 0.00 1.21 -0.31 0.00 0.00 175.10 175.70