#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 4.57 0.00 4.33 1.02 -1.26 -5.00 119.74 123.40 2a5m s LYS 2 Ca 0.00 1.23 0.00 0.00 0.02 0.00 0.00 55.97 57.22 2a5m s LYS 2 Cb 0.00 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.92 2a5m s LYS 2 CO 0.00 0.20 0.00 0.25 -0.92 0.00 0.00 175.35 174.88 2a5m n THR 3 N 3.03 0.00 0.00 2.17 -2.24 -1.26 -5.15 114.28 110.83 2a5m n THR 3 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 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 0.66 -0.76 3.80 3.38 0.00 -1.26 -5.16 105.19 105.86 2a5m n GLY 4 Ca 0.00 0.79 -0.35 0.00 0.00 0.00 0.00 46.02 46.46 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 2.58 -0.19 -0.02 0.00 -1.26 -4.66 107.32 103.78 2a5m s GLY 5 Ca 0.00 0.52 -0.16 0.00 0.00 0.00 0.00 44.72 45.08 2a5m s GLY 5 CO 0.00 0.88 0.49 1.25 0.00 0.00 0.00 173.10 175.72 2a5m s LYS 6 N -2.75 0.56 -0.00 2.90 2.20 -0.50 -4.66 119.74 117.48 2a5m s LYS 6 Ca 0.59 0.71 0.04 0.00 -0.36 0.00 0.00 55.97 56.95 2a5m s LYS 6 Cb -0.15 0.24 -0.01 0.00 -1.51 0.00 0.00 37.83 36.40 2a5m s LYS 6 CO 0.20 -0.08 -0.13 -1.50 -0.36 0.00 0.00 175.35 173.48 2a5m s ILE 7 N 0.42 1.01 -0.09 5.43 2.07 -0.92 -1.30 121.20 127.81 2a5m s ILE 7 Ca -0.01 -0.60 0.04 0.00 -1.41 0.00 0.00 60.65 58.66 2a5m s ILE 7 Cb -0.04 -0.85 0.00 0.00 0.13 0.00 0.00 42.46 41.70 2a5m s ILE 7 CO -0.01 0.24 -0.21 -0.55 -1.91 0.00 0.00 174.94 172.49 2a5m s SER 8 N -0.42 2.82 -0.08 4.50 0.15 0.99 -1.44 113.70 120.22 2a5m s SER 8 Ca 0.04 -0.51 -0.00 0.00 0.70 0.00 0.00 55.95 56.18 2a5m s SER 8 Cb -0.05 -1.29 -0.03 0.00 -1.71 0.00 0.00 66.02 62.94 2a5m s SER 8 CO -0.00 0.13 -0.04 -0.36 1.20 0.00 0.00 173.24 174.16 2a5m s PHE 9 N 0.43 3.02 -0.03 3.44 0.40 0.15 0.10 117.98 125.50 2a5m s PHE 9 Ca -0.17 0.06 0.06 0.00 -0.60 0.00 0.00 56.93 56.28 2a5m s PHE 9 Cb -0.17 -1.75 -0.01 0.00 0.51 0.00 0.00 43.02 41.59 2a5m s PHE 9 CO 0.07 0.35 -0.22 0.71 0.70 0.00 0.00 175.22 176.83 2a5m s TYR 10 N -0.75 2.05 0.29 0.36 1.51 0.63 -1.00 117.35 120.44 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 -0.11 -1.33 0.81 0.00 -0.11 0.00 0.00 41.96 41.22 2a5m s TYR 10 CO 0.02 -0.08 1.82 0.93 -1.11 0.00 0.00 175.55 177.12 2a5m h GLU 11 N 5.75 0.00 -5.85 -0.62 5.08 -1.43 0.24 114.58 117.75 2a5m h GLU 11 Ca -0.38 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.40 2a5m h GLU 11 Cb 1.15 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.30 2a5m h GLU 11 CO 0.47 0.35 -0.51 -0.51 -1.00 0.00 0.00 179.01 177.81 2a5m s ASP 12 N -6.60 4.34 0.65 1.42 1.11 -0.58 -3.43 116.67 113.59 2a5m s ASP 12 Ca -0.02 -1.14 -0.13 0.00 0.18 0.00 0.00 52.55 51.45 2a5m s ASP 12 Cb 0.13 -0.43 -0.01 0.00 1.07 0.00 0.00 42.92 43.67 2a5m s ASP 12 CO 0.69 -0.55 1.06 -0.13 1.18 0.00 0.00 175.17 177.42 2a5m s ARG 13 N -3.88 3.10 -1.11 8.23 0.52 -1.26 -3.62 118.95 120.92 2a5m s ARG 13 Ca 0.39 1.08 -0.03 0.00 -0.52 0.00 0.00 55.73 56.65 2a5m s ARG 13 Cb 0.05 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.51 2a5m s ARG 13 CO 0.21 -0.98 0.45 0.09 0.02 0.00 0.00 175.30 175.10 2a5m n ASN 14 N -2.61 -4.85 -3.98 0.23 3.02 0.11 -3.03 115.26 104.14 2a5m n ASN 14 Ca 0.08 -0.21 -0.29 0.00 -0.03 0.00 0.00 54.58 54.13 2a5m n ASN 14 Cb 0.53 -3.70 -0.00 0.00 -0.61 0.00 0.00 39.78 35.99 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 -4.16 -1.86 -4.10 3.10 -1.74 -1.25 -4.98 117.46 102.47 2a5m n PHE 15 Ca -0.08 0.81 -0.24 0.00 -0.56 0.00 0.00 57.45 57.38 2a5m n PHE 15 Cb 0.59 -3.69 -0.07 0.00 1.52 0.00 0.00 39.48 37.83 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 -6.58 2.30 0.70 3.97 -0.21 -1.17 -5.01 119.66 113.66 2a5m s GLN 16 Ca 0.34 -1.66 0.00 0.00 0.02 0.00 0.00 55.36 54.06 2a5m s GLN 16 Cb -0.18 -2.10 0.00 0.00 1.00 0.00 0.00 33.01 31.73 2a5m s GLN 16 CO 0.87 0.03 0.00 0.41 -2.12 0.00 0.00 175.29 174.48 2a5m n GLY 17 N -1.18 -1.87 3.77 3.09 0.00 -1.26 -1.52 105.19 106.22 2a5m n GLY 17 Ca -0.02 -1.68 -0.38 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 4.06 0.11 1.61 3.52 -1.26 -4.74 118.95 122.25 2a5m s ARG 18 Ca 0.00 1.88 0.11 0.00 -0.13 0.00 0.00 55.73 57.59 2a5m s ARG 18 Cb 0.00 -2.70 -0.04 0.00 -1.56 0.00 0.00 34.95 30.65 2a5m s ARG 18 CO 0.00 -0.33 -0.26 0.50 -0.81 0.00 0.00 175.30 174.40 2a5m s ARG 19 N -2.27 1.45 -0.07 5.12 3.52 -1.26 -1.70 118.95 123.74 2a5m s ARG 19 Ca 0.57 -1.30 0.01 0.00 -0.13 0.00 0.00 55.73 54.88 2a5m s ARG 19 Cb -0.32 -1.88 0.02 0.00 -1.56 0.00 0.00 34.95 31.22 2a5m s ARG 19 CO 0.40 0.45 -0.06 -0.47 -0.81 0.00 0.00 175.30 174.81 2a5m s TYR 20 N -1.02 1.05 -0.09 5.12 5.04 -0.17 -4.96 117.35 122.31 2a5m s TYR 20 Ca 0.13 -0.38 0.01 0.00 -2.44 0.00 0.00 57.07 54.39 2a5m s TYR 20 Cb -0.10 -0.88 -0.03 0.00 0.35 0.00 0.00 41.96 41.30 2a5m s TYR 20 CO 0.05 -0.29 -0.10 0.34 -1.34 0.00 0.00 175.55 174.22 2a5m s ASP 21 N 1.13 4.36 -0.02 4.32 -1.08 -1.26 -0.68 116.67 123.45 2a5m s ASP 21 Ca -0.07 -0.14 0.03 0.00 -0.52 0.00 0.00 52.55 51.85 2a5m s ASP 21 Cb -0.14 -1.24 -0.00 0.00 -1.46 0.00 0.00 42.92 40.08 2a5m s ASP 21 CO -0.01 0.30 -0.12 0.00 0.52 0.00 0.00 175.17 175.86 2a5m n ASP 23 N 3.02 2.34 -3.49 0.00 9.92 -1.26 -2.16 116.55 124.93 2a5m n ASP 23 Ca -0.16 -2.06 -0.08 0.00 -0.53 0.00 0.00 54.79 51.95 2a5m n ASP 23 Cb 0.55 -0.10 -0.01 0.00 -0.64 0.00 0.00 41.12 40.92 2a5m n ASP 23 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a5m s ASP 25 N -3.01 5.64 -0.13 0.00 1.11 -1.26 -4.73 116.67 114.28 2a5m s ASP 25 Ca 0.15 2.78 -0.01 0.00 0.18 0.00 0.00 52.55 55.65 2a5m s ASP 25 Cb -0.05 -2.64 0.04 0.00 1.07 0.00 0.00 42.92 41.34 2a5m s ASP 25 CO 0.10 -1.32 -0.02 0.00 1.18 0.00 0.00 175.17 175.11 2a5m h ALA 27 N 8.22 0.89 -1.40 0.00 0.00 -1.89 -2.07 119.26 123.00 2a5m h ALA 27 Ca -0.22 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 2a5m h ALA 27 Cb 1.12 -0.04 -0.25 0.00 0.00 0.00 0.00 17.79 18.61 2a5m h ALA 27 CO 0.35 0.35 -0.45 0.34 0.00 0.00 0.00 179.25 179.83 2a5m s ASP 28 N -6.27 -0.52 -0.00 0.00 -1.08 -1.26 -2.11 116.67 105.43 2a5m s ASP 28 Ca 0.03 -0.01 0.18 0.00 -0.52 0.00 0.00 52.55 52.23 2a5m s ASP 28 Cb 0.08 1.54 0.51 0.00 -1.46 0.00 0.00 42.92 43.59 2a5m s ASP 28 CO 0.68 -0.32 1.43 2.22 0.52 0.00 0.00 175.17 179.69 2a5m n PHE 29 N 5.39 0.79 0.31 -5.34 -1.74 -1.07 -4.50 117.46 111.29 2a5m n PHE 29 Ca 0.02 -0.51 0.18 0.00 -0.56 0.00 0.00 57.45 56.58 2a5m n PHE 29 Cb 0.51 -0.02 1.02 0.00 1.52 0.00 0.00 39.48 42.51 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 3.34 0.00 0.00 3.97 3.08 -1.76 -0.73 114.38 122.29 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 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2a5m h ARG 30 CO 0.01 0.00 0.00 0.77 -1.07 0.00 0.00 179.97 179.68 2a5m h SER 31 N 0.00 0.00 0.00 7.04 0.02 -1.97 -3.13 113.55 115.51 2a5m h SER 31 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2a5m h SER 31 Cb 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2a5m h SER 31 CO -0.00 0.00 -1.89 -1.22 -1.14 0.00 0.00 176.83 172.58 2a5m n TYR 32 N -2.55 0.00 -3.70 3.45 4.02 -0.34 -4.94 117.16 113.11 2a5m n TYR 32 Ca 0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.81 2a5m n TYR 32 Cb 0.37 -0.48 -0.11 0.00 -0.02 0.00 0.00 39.34 39.09 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 -4.42 -0.01 0.00 7.72 2.96 -0.87 -4.84 118.68 119.23 2a5m s LEU 33 Ca -0.07 0.78 0.27 0.00 -0.22 0.00 0.00 54.13 54.89 2a5m s LEU 33 Cb 0.11 1.13 0.88 0.00 0.50 0.00 0.00 46.19 48.82 2a5m s LEU 33 CO 0.76 -0.19 1.68 -1.54 -1.32 0.00 0.00 176.35 175.74 2a5m n SER 34 N 4.41 0.25 -3.60 3.68 3.41 -1.26 -4.19 113.62 116.33 2a5m n SER 34 Ca -0.22 0.15 -0.04 0.00 -0.26 0.00 0.00 58.87 58.50 2a5m n SER 34 Cb 0.54 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.32 2a5m n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a5m s ARG 35 N -3.00 0.61 -0.12 4.33 1.70 -1.26 -4.94 118.95 116.26 2a5m s ARG 35 Ca 0.12 -0.27 -0.04 0.00 -0.47 0.00 0.00 55.73 55.08 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 0.61 -0.27 0.12 0.00 -1.08 0.00 0.00 175.30 174.68 2a5m n ASN 37 N 5.30 1.87 -3.64 0.00 5.03 0.80 -4.49 115.26 120.13 2a5m n ASN 37 Ca -0.05 -1.43 -0.14 0.00 0.87 0.00 0.00 54.58 53.83 2a5m n ASN 37 Cb 0.50 0.22 -0.06 0.00 -1.02 0.00 0.00 39.78 39.41 2a5m n ASN 37 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2a5m s SER 38 N -1.44 -0.36 -0.02 6.41 0.15 -0.99 0.75 113.70 118.20 2a5m s SER 38 Ca 0.14 0.15 -0.07 0.00 0.70 0.00 0.00 55.95 56.88 2a5m s SER 38 Cb 0.12 0.44 0.01 0.00 -1.71 0.00 0.00 66.02 64.87 2a5m s SER 38 CO 0.26 -0.64 0.15 -0.63 1.20 0.00 0.00 173.24 173.57 2a5m s ILE 39 N -2.13 0.06 -0.13 6.45 1.01 -0.77 -0.27 121.20 125.42 2a5m s ILE 39 Ca -0.07 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.13 2a5m s ILE 39 Cb -0.01 -0.37 0.02 0.00 0.01 0.00 0.00 42.46 42.11 2a5m s ILE 39 CO 0.00 -0.26 -0.17 -0.60 0.00 0.00 0.00 174.94 173.92 2a5m s ARG 40 N -0.90 2.43 -0.32 2.79 3.52 0.12 -0.95 118.95 125.64 2a5m s ARG 40 Ca -0.10 -0.63 -0.09 0.00 -0.13 0.00 0.00 55.73 54.78 2a5m s ARG 40 Cb -0.05 -2.08 0.01 0.00 -1.56 0.00 0.00 34.95 31.26 2a5m s ARG 40 CO 0.01 -0.10 0.14 0.08 -0.81 0.00 0.00 175.30 174.62 2a5m s VAL 41 N 1.09 4.41 0.03 7.11 1.01 0.11 -0.01 120.40 134.15 2a5m s VAL 41 Ca -0.03 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2a5m s VAL 41 Cb -0.14 -3.31 -0.26 0.00 0.00 0.00 0.00 36.38 32.67 2a5m s VAL 41 CO -0.04 -0.01 0.95 -0.33 0.00 0.00 0.00 175.10 175.66 2a5m h GLU 42 N 8.34 0.18 -1.93 2.72 5.08 -1.43 -1.51 114.58 126.02 2a5m h GLU 42 Ca -0.30 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 57.73 2a5m h GLU 42 Cb 1.13 0.11 -0.20 0.00 0.50 0.00 0.00 28.75 30.29 2a5m h GLU 42 CO 0.62 1.03 0.28 0.20 -1.00 0.00 0.00 179.01 180.14 2a5m s GLY 43 N -4.89 -0.51 0.00 -3.84 0.00 -1.16 -4.83 107.32 92.10 2a5m s GLY 43 Ca -0.06 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.12 2a5m s GLY 43 CO 0.85 0.95 0.00 0.61 0.00 0.00 0.00 173.10 175.50 2a5m n GLY 44 N 0.82 -1.27 3.29 0.20 0.00 -1.26 -1.42 105.19 105.55 2a5m n GLY 44 Ca -0.17 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.64 2.15 0.16 2.61 2.01 -1.26 -2.75 115.64 116.92 2a5m s THR 45 Ca 0.00 -1.04 0.09 0.00 0.31 0.00 0.00 61.69 61.05 2a5m s THR 45 Cb 0.00 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 2a5m s THR 45 CO 0.00 0.57 -0.20 0.26 -0.69 0.00 0.00 174.62 174.57 2a5m s TRP 46 N -0.22 1.90 -0.13 4.92 0.52 -0.41 0.12 118.94 125.64 2a5m s TRP 46 Ca -0.02 -0.44 -0.03 0.00 0.02 0.00 0.00 56.10 55.63 2a5m s TRP 46 Cb -0.13 -0.96 -0.03 0.00 -1.15 0.00 0.00 33.47 31.20 2a5m s TRP 46 CO 0.03 0.35 -0.02 0.00 0.02 0.00 0.00 176.95 177.32 2a5m s ALA 47 N -1.88 3.09 -0.04 0.98 0.00 0.53 0.39 121.76 124.83 2a5m s ALA 47 Ca 0.16 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.34 2a5m s ALA 47 Cb -0.07 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 2a5m s ALA 47 CO 0.07 0.32 -0.16 0.14 0.00 0.00 0.00 175.76 176.13 2a5m s VAL 48 N -0.00 2.92 0.04 0.00 -7.23 -0.16 -0.71 120.40 115.25 2a5m s VAL 48 Ca 0.02 -0.80 0.09 0.00 -1.81 0.00 0.00 61.98 59.48 2a5m s VAL 48 Cb -0.13 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 2a5m s VAL 48 CO 0.02 0.58 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.84 2a5m s TYR 49 N -0.73 2.16 0.27 2.82 1.51 0.76 -1.76 117.35 122.39 2a5m s TYR 49 Ca 0.11 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 2a5m s TYR 49 Cb -0.11 -1.30 0.38 0.00 -0.11 0.00 0.00 41.96 40.82 2a5m s TYR 49 CO 0.01 0.10 1.74 1.49 -1.11 0.00 0.00 175.55 177.78 2a5m h GLU 50 N 4.89 0.63 -6.09 -0.62 4.57 -1.40 -0.92 114.58 115.66 2a5m h GLU 50 Ca -0.45 -0.20 -0.57 0.00 -1.18 0.00 0.00 59.36 56.96 2a5m h GLU 50 Cb 1.15 -0.06 -0.15 0.00 -0.16 0.00 0.00 28.75 29.53 2a5m h GLU 50 CO 0.44 0.74 -0.77 1.03 -1.18 0.00 0.00 179.01 179.28 2a5m s ARG 51 N -4.74 1.53 1.10 1.92 3.00 -0.69 -2.29 118.95 118.77 2a5m s ARG 51 Ca -0.08 -1.65 -0.16 0.00 0.00 0.00 0.00 55.73 53.84 2a5m s ARG 51 Cb 0.14 -1.58 0.15 0.00 0.00 0.00 0.00 34.95 33.66 2a5m s ARG 51 CO 0.80 0.30 0.40 -0.35 0.00 0.00 0.00 175.30 176.45 2a5m n PRO 52 N -0.33 -1.55 -3.13 3.54 -0.04 -1.26 -2.84 135.00 129.39 2a5m n PRO 52 Ca -0.08 -0.42 -0.20 0.00 -0.04 0.00 0.00 63.50 62.76 2a5m n PRO 52 Cb 0.59 -1.89 0.05 0.00 -0.04 0.00 0.00 33.50 32.21 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 -2.63 -5.58 -4.05 3.54 3.02 -0.90 -3.09 115.26 105.56 2a5m n ASN 53 Ca 0.03 -0.34 -0.30 0.00 -0.03 0.00 0.00 54.58 53.94 2a5m n ASN 53 Cb 0.58 -4.32 -0.03 0.00 -0.61 0.00 0.00 39.78 35.40 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 -4.46 -1.52 -4.41 3.10 3.72 -1.25 -4.96 117.46 107.68 2a5m n PHE 54 Ca -0.05 0.59 -0.21 0.00 -0.05 0.00 0.00 57.45 57.73 2a5m n PHE 54 Cb 0.58 -3.29 -0.10 0.00 -0.94 0.00 0.00 39.48 35.72 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 -4.18 2.73 0.00 4.37 0.01 -1.13 -5.05 113.70 110.45 2a5m s SER 55 Ca 0.11 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.23 2a5m s SER 55 Cb -0.05 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.02 2a5m s SER 55 CO 0.93 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.90 2a5m n GLY 56 N -0.53 -1.70 3.76 3.44 0.00 -1.26 -1.71 105.19 107.18 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 3.02 -0.06 1.61 3.76 -1.26 -4.70 115.29 117.66 2a5m s HIS 57 Ca 0.00 1.20 0.06 0.00 -0.15 0.00 0.00 55.06 56.17 2a5m s HIS 57 Cb 0.00 -3.76 -0.01 0.00 1.11 0.00 0.00 32.58 29.92 2a5m s HIS 57 CO 0.00 -2.32 -0.24 0.00 -0.85 0.00 0.00 174.74 171.33 2a5m s MET 58 N -0.99 2.53 -0.00 1.40 0.00 -1.26 -1.86 119.30 119.11 2a5m s MET 58 Ca 0.55 -0.89 0.03 0.00 0.00 0.00 0.00 55.69 55.38 2a5m s MET 58 Cb -0.41 -2.18 -0.01 0.00 0.00 0.00 0.00 34.83 32.23 2a5m s MET 58 CO 0.48 0.41 -0.09 0.71 0.00 0.00 0.00 175.02 176.53 2a5m s TYR 59 N -0.24 0.82 -0.14 3.16 2.02 -0.72 -3.74 117.35 118.51 2a5m s TYR 59 Ca -0.01 -0.18 -0.13 0.00 -0.37 0.00 0.00 57.07 56.37 2a5m s TYR 59 Cb -0.13 -0.52 -0.05 0.00 -0.40 0.00 0.00 41.96 40.86 2a5m s TYR 59 CO 0.03 -0.01 0.28 0.42 -1.57 0.00 0.00 175.55 174.70 2a5m s ILE 60 N -0.32 5.30 -0.26 2.71 -1.09 -1.26 -0.99 121.20 125.29 2a5m s ILE 60 Ca 0.03 0.53 0.03 0.00 -2.23 0.00 0.00 60.65 59.00 2a5m s ILE 60 Cb -0.04 -3.61 0.06 0.00 -1.58 0.00 0.00 42.46 37.29 2a5m s ILE 60 CO -0.00 0.43 -0.09 -0.76 -1.23 0.00 0.00 174.94 173.29 2a5m s LEU 61 N 0.16 3.32 0.88 2.97 1.43 0.16 -4.98 118.68 122.62 2a5m s LEU 61 Ca 0.17 -1.39 -0.12 0.00 -1.03 0.00 0.00 54.13 51.76 2a5m s LEU 61 Cb -0.13 -1.48 0.12 0.00 0.03 0.00 0.00 46.19 44.73 2a5m s LEU 61 CO 0.05 -0.21 1.14 -2.16 0.23 0.00 0.00 176.35 175.40 2a5m s PRO 62 N 1.15 1.43 0.33 1.29 0.04 -1.26 -1.29 135.00 136.69 2a5m s PRO 62 Ca -0.07 0.29 -0.27 0.00 0.04 0.00 0.00 61.00 60.98 2a5m s PRO 62 Cb -0.20 -1.87 -0.13 0.00 0.04 0.00 0.00 34.50 32.34 2a5m s PRO 62 CO -0.05 -2.00 1.13 0.00 0.04 0.00 0.00 177.00 176.11 2a5m n GLN 63 N -3.63 1.68 -2.89 4.56 10.64 -1.11 -4.83 117.38 121.79 2a5m n GLN 63 Ca 0.07 0.59 0.00 0.00 -1.83 0.00 0.00 57.00 55.83 2a5m n GLN 63 Cb 0.59 -2.08 0.00 0.00 -0.86 0.00 0.00 30.24 27.89 2a5m n GLN 63 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2a5m n GLY 64 N 1.02 -1.43 3.26 2.61 0.00 -0.57 -4.98 105.19 105.10 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 -1.83 3.14 -0.38 1.61 2.12 -1.26 0.10 118.70 122.20 2a5m s GLU 65 Ca 0.00 -0.83 0.04 0.00 0.36 0.00 0.00 54.97 54.54 2a5m s GLU 65 Cb 0.00 -2.39 0.11 0.00 0.26 0.00 0.00 34.13 32.11 2a5m s GLU 65 CO 0.00 0.19 0.10 0.71 -0.54 0.00 0.00 175.26 175.72 2a5m s TYR 66 N 0.34 3.46 -1.63 5.30 1.51 -0.12 -4.98 117.35 121.23 2a5m s TYR 66 Ca -0.17 -2.94 0.16 0.00 -1.01 0.00 0.00 57.07 53.11 2a5m s TYR 66 Cb -0.17 -2.80 0.88 0.00 -0.11 0.00 0.00 41.96 39.76 2a5m s TYR 66 CO 0.08 -0.90 1.44 -0.35 -1.11 0.00 0.00 175.55 174.72 2a5m n PRO 67 N 4.03 0.33 -3.60 -1.71 -0.04 -1.26 -1.85 135.00 130.91 2a5m n PRO 67 Ca 0.04 0.09 -0.14 0.00 -0.04 0.00 0.00 63.50 63.45 2a5m n PRO 67 Cb 0.40 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 2a5m n PRO 67 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2a5m s GLU 68 N -2.37 0.99 0.28 0.54 2.02 -1.26 0.05 118.70 118.96 2a5m s GLU 68 Ca 0.19 -0.21 -0.03 0.00 0.02 0.00 0.00 54.97 54.93 2a5m s GLU 68 Cb 0.11 0.45 0.40 0.00 0.10 0.00 0.00 34.13 35.19 2a5m s GLU 68 CO 0.23 -0.35 1.94 0.10 0.02 0.00 0.00 175.26 177.20 2a5m h TYR 69 N 2.91 1.07 0.00 1.61 -0.00 0.03 -1.36 116.97 121.22 2a5m h TYR 69 Ca -0.30 0.01 -0.00 0.00 -0.00 0.00 0.00 58.73 58.43 2a5m h TYR 69 Cb 1.20 -0.35 -0.00 0.00 -0.00 0.00 0.00 36.73 37.58 2a5m h TYR 69 CO 0.38 0.70 -0.00 1.96 -0.00 0.00 0.00 178.16 181.20 2a5m h GLN 70 N 1.13 0.00 0.00 0.10 4.20 -1.85 0.18 115.11 118.86 2a5m h GLN 70 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 2a5m h GLN 70 Cb -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2a5m h GLN 70 CO -0.06 0.00 0.00 -0.09 -0.67 0.00 0.00 178.83 178.02 2a5m h ARG 71 N 0.00 0.00 -0.47 1.46 9.65 -1.63 -1.24 114.38 122.15 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 -2.89 0.70 -1.77 2.20 -0.00 0.57 -4.93 117.44 111.32 2a5m n TRP 72 Ca 0.01 -0.53 -0.20 0.00 -0.00 0.00 0.00 57.50 56.78 2a5m n TRP 72 Cb 0.29 -0.05 -0.07 0.00 -0.00 0.00 0.00 31.31 31.48 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 0.81 -1.43 -1.78 5.87 2.81 -0.47 -4.93 117.12 118.01 2a5m n MET 73 Ca 0.17 1.14 -0.39 0.00 -1.81 0.00 0.00 57.70 56.80 2a5m n MET 73 Cb 0.54 -5.54 0.03 0.00 -0.71 0.00 0.00 33.22 27.54 2a5m n MET 73 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2a5m s GLY 74 N -2.62 2.90 0.14 3.03 0.00 -0.86 -4.90 107.32 105.02 2a5m s GLY 74 Ca 0.00 1.39 0.08 0.00 0.00 0.00 0.00 44.72 46.19 2a5m s GLY 74 CO 0.00 1.95 1.33 -2.00 0.00 0.00 0.00 173.10 174.38 2a5m h LEU 75 N 1.77 0.00 0.00 0.66 5.85 -1.91 -3.43 115.31 118.25 2a5m h LEU 75 Ca -0.51 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 2a5m h LEU 75 Cb 1.29 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 2a5m h LEU 75 CO 0.59 0.94 0.02 -0.46 -0.34 0.00 0.00 178.44 179.19 2a5m n ASN 76 N -3.42 -0.30 -1.99 1.25 0.23 -1.26 -5.03 115.26 104.73 2a5m n ASN 76 Ca -0.00 -1.25 -0.14 0.00 -0.53 0.00 0.00 54.58 52.66 2a5m n ASN 76 Cb 0.89 0.51 0.21 0.00 -2.08 0.00 0.00 39.78 39.31 2a5m n ASN 76 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2a5m n ASP 77 N -1.35 4.05 -4.63 0.53 5.68 -1.26 -4.92 116.55 114.65 2a5m n ASP 77 Ca -0.01 -3.27 -0.38 0.00 -0.50 0.00 0.00 54.79 50.63 2a5m n ASP 77 Cb 0.09 -0.77 -0.09 0.00 -1.14 0.00 0.00 41.12 39.22 2a5m n ASP 77 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 2a5m s ARG 78 N -2.81 4.08 -0.10 0.11 3.00 -1.26 -1.86 118.95 120.10 2a5m s ARG 78 Ca 0.50 0.05 -0.04 0.00 -1.00 0.00 0.00 55.73 55.23 2a5m s ARG 78 Cb 0.41 -3.60 0.05 0.00 0.00 0.00 0.00 34.95 31.81 2a5m s ARG 78 CO 0.11 -0.15 0.20 -0.51 0.00 0.00 0.00 175.30 174.95 2a5m s LEU 79 N 1.67 -0.04 -0.01 -0.88 1.43 -1.26 -4.51 118.68 115.08 2a5m s LEU 79 Ca 0.15 0.43 0.10 0.00 -1.03 0.00 0.00 54.13 53.78 2a5m s LEU 79 Cb -0.15 0.45 -0.14 0.00 0.03 0.00 0.00 46.19 46.38 2a5m s LEU 79 CO 0.09 -0.23 0.28 0.61 0.23 0.00 0.00 176.35 177.33 2a5m n GLY 80 N 5.15 -0.29 3.36 -3.19 0.00 -0.37 -4.79 105.19 105.06 2a5m n GLY 80 Ca -0.09 -0.25 -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 -2.77 -0.37 -0.01 1.61 0.15 -1.07 -2.60 113.70 108.64 2a5m s SER 81 Ca -0.01 0.05 -0.08 0.00 0.70 0.00 0.00 55.95 56.60 2a5m s SER 81 Cb 0.07 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 64.86 2a5m s SER 81 CO 0.41 -0.73 0.17 0.00 1.20 0.00 0.00 173.24 174.30 2a5m s ARG 83 N -1.12 0.59 0.08 0.00 0.52 0.11 -0.70 118.95 118.43 2a5m s ARG 83 Ca -0.12 -0.24 -0.30 0.00 -0.52 0.00 0.00 55.73 54.55 2a5m s ARG 83 Cb -0.06 -0.57 -0.05 0.00 0.52 0.00 0.00 34.95 34.79 2a5m s ARG 83 CO 0.02 0.13 1.02 0.00 0.02 0.00 0.00 175.30 176.49 2a5m s ALA 84 N -0.09 3.25 -0.21 2.13 0.00 -1.26 -0.35 121.76 125.23 2a5m s ALA 84 Ca 0.02 0.63 -0.17 0.00 0.00 0.00 0.00 51.96 52.44 2a5m s ALA 84 Cb -0.04 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 2a5m s ALA 84 CO -0.00 -0.17 0.48 0.08 0.00 0.00 0.00 175.76 176.15 2a5m s VAL 85 N 0.42 5.13 0.00 0.00 1.01 0.33 -4.89 120.40 122.40 2a5m s VAL 85 Ca 0.50 0.85 -0.20 0.00 0.00 0.00 0.00 61.98 63.14 2a5m s VAL 85 Cb -0.24 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 2a5m s VAL 85 CO 0.30 0.18 0.57 -1.00 0.00 0.00 0.00 175.10 175.15 2a5m s HIS 86 N 1.70 3.70 -0.13 5.22 3.76 -1.26 -4.03 115.29 124.25 2a5m s HIS 86 Ca 0.22 1.18 -0.09 0.00 -0.15 0.00 0.00 55.06 56.22 2a5m s HIS 86 Cb -0.15 -2.57 -0.04 0.00 1.11 0.00 0.00 32.58 30.93 2a5m s HIS 86 CO 0.09 0.40 0.17 -0.51 -0.85 0.00 0.00 174.74 174.04 2a5m s LEU 87 N -0.35 4.36 -0.17 0.89 1.43 -1.26 -4.72 118.68 118.86 2a5m s LEU 87 Ca 0.30 0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 53.85 2a5m s LEU 87 Cb -0.18 -2.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 2a5m s LEU 87 CO 0.17 0.35 -0.09 -0.94 0.23 0.00 0.00 176.35 176.07 2a5m s SER 88 N -0.71 4.22 0.00 2.29 1.04 -1.26 -5.05 113.70 114.23 2a5m s SER 88 Ca 0.15 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.25 2a5m s SER 88 Cb -0.12 -1.68 0.00 0.00 0.10 0.00 0.00 66.02 64.31 2a5m s SER 88 CO 0.04 0.09 0.00 -1.54 0.98 0.00 0.00 173.24 172.81 2a5m n SER 89 N 4.02 0.16 0.00 7.02 3.41 -1.26 -4.85 113.62 122.11 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 3.95 0.00 5.00 0.00 -1.26 -5.03 105.19 112.84 2a5m n GLY 90 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.69 3.11 -0.02 0.00 -1.26 -5.12 105.19 100.21 2a5m n GLY 91 Ca 0.00 0.79 -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 2.91 0.03 1.61 0.74 -1.26 -5.10 119.66 118.59 2a5m s GLN 92 Ca 0.00 -0.86 -0.30 0.00 0.05 0.00 0.00 55.36 54.25 2a5m s GLN 92 Cb 0.00 -2.58 -0.04 0.00 1.10 0.00 0.00 33.01 31.49 2a5m s GLN 92 CO 0.00 -0.24 1.10 0.00 -0.55 0.00 0.00 175.29 175.60 2a5m s ALA 93 N 1.28 3.29 -0.01 1.58 0.00 -1.26 -5.03 121.76 121.61 2a5m s ALA 93 Ca 0.04 0.71 0.03 0.00 0.00 0.00 0.00 51.96 52.74 2a5m s ALA 93 Cb -0.13 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 2a5m s ALA 93 CO -0.12 -0.35 -0.10 0.21 0.00 0.00 0.00 175.76 175.40 2a5m s LYS 94 N 1.05 0.84 0.04 0.00 2.20 -1.26 -4.52 119.74 118.09 2a5m s LYS 94 Ca 0.56 -0.37 0.05 0.00 -0.36 0.00 0.00 55.97 55.85 2a5m s LYS 94 Cb -0.26 -0.81 -0.02 0.00 -1.51 0.00 0.00 37.83 35.24 2a5m s LYS 94 CO 0.29 0.22 -0.16 -1.50 -0.36 0.00 0.00 175.35 173.84 2a5m s ILE 95 N -0.23 1.23 -0.07 5.43 2.07 -0.84 -4.56 121.20 124.24 2a5m s ILE 95 Ca 0.04 -1.06 0.04 0.00 -1.41 0.00 0.00 60.65 58.26 2a5m s ILE 95 Cb -0.04 -1.11 -0.00 0.00 0.13 0.00 0.00 42.46 41.44 2a5m s ILE 95 CO -0.00 0.04 -0.21 0.00 -1.91 0.00 0.00 174.94 172.85 2a5m s GLN 96 N -1.18 2.41 0.09 3.50 0.00 -1.23 -1.86 119.66 121.39 2a5m s GLN 96 Ca 0.03 -0.75 0.08 0.00 -0.00 0.00 0.00 55.36 54.71 2a5m s GLN 96 Cb -0.08 -1.95 -0.03 0.00 0.00 0.00 0.00 33.01 30.94 2a5m s GLN 96 CO 0.01 0.23 -0.20 0.14 0.00 0.00 0.00 175.29 175.47 2a5m s VAL 97 N 0.18 1.65 -0.00 3.63 -7.23 -0.43 -1.71 120.40 116.49 2a5m s VAL 97 Ca -0.10 -1.47 0.08 0.00 -1.81 0.00 0.00 61.98 58.67 2a5m s VAL 97 Cb -0.15 -1.50 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 2a5m s VAL 97 CO 0.05 -0.04 -0.25 -0.36 -0.31 0.00 0.00 175.10 174.20 2a5m s PHE 98 N -1.12 2.38 0.39 2.82 0.40 -0.42 -1.70 117.98 120.73 2a5m s PHE 98 Ca 0.06 -0.39 0.15 0.00 -0.60 0.00 0.00 56.93 56.14 2a5m s PHE 98 Cb -0.10 -1.48 0.87 0.00 0.51 0.00 0.00 43.02 42.82 2a5m s PHE 98 CO 0.04 0.04 1.89 1.49 0.70 0.00 0.00 175.22 179.38 2a5m h GLU 99 N 5.23 0.00 -5.83 0.44 4.81 -1.14 -3.34 114.58 114.76 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 -0.10 0.00 0.63 0.00 0.00 28.75 30.41 2a5m h GLU 99 CO 0.46 0.29 -0.55 0.15 -0.73 0.00 0.00 179.01 178.64 2a5m s LYS 100 N -4.29 2.11 0.90 1.92 1.02 0.68 -4.43 119.74 117.65 2a5m s LYS 100 Ca -0.03 -1.93 -0.11 0.00 0.02 0.00 0.00 55.97 53.92 2a5m s LYS 100 Cb 0.14 -1.85 0.13 0.00 -0.52 0.00 0.00 37.83 35.73 2a5m s LYS 100 CO 0.70 -0.07 1.09 0.20 -0.92 0.00 0.00 175.35 176.36 2a5m s GLY 101 N -3.82 1.62 -1.46 -3.33 0.00 -1.26 -3.34 107.32 95.73 2a5m s GLY 101 Ca 0.38 -0.04 -0.09 0.00 0.00 0.00 0.00 44.72 44.97 2a5m s GLY 101 CO 0.21 0.45 0.89 1.22 0.00 0.00 0.00 173.10 175.87 2a5m n ASP 102 N -3.90 -5.57 -3.65 1.64 9.92 -0.56 -2.80 116.55 111.64 2a5m n ASP 102 Ca 0.07 -0.52 -0.24 0.00 -0.53 0.00 0.00 54.79 53.57 2a5m n ASP 102 Cb 0.55 -4.45 0.04 0.00 -0.64 0.00 0.00 41.12 36.62 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 -4.66 -1.97 -4.37 1.24 3.72 -1.25 -5.00 117.46 105.17 2a5m n PHE 103 Ca -0.02 0.71 -0.19 0.00 -0.05 0.00 0.00 57.45 57.91 2a5m n PHE 103 Cb 0.56 -3.99 -0.10 0.00 -0.94 0.00 0.00 39.48 35.01 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 -3.93 2.20 0.00 4.37 0.01 -1.12 -5.02 114.94 111.45 2a5m s ASN 104 Ca 0.22 -1.20 0.00 0.00 -0.71 0.00 0.00 52.86 51.17 2a5m s ASN 104 Cb -0.06 -0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.53 2a5m s ASN 104 CO 0.82 -0.44 0.00 0.61 -1.51 0.00 0.00 177.10 176.58 2a5m n GLY 105 N -0.48 -1.79 3.77 0.66 0.00 -1.26 -0.23 105.19 105.86 2a5m n GLY 105 Ca -0.05 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 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 4.34 0.01 1.61 2.00 -1.26 -4.69 119.66 121.67 2a5m s GLN 106 Ca 0.00 1.58 0.07 0.00 -2.00 0.00 0.00 55.36 55.01 2a5m s GLN 106 Cb 0.00 -2.76 -0.03 0.00 0.80 0.00 0.00 33.01 31.03 2a5m s GLN 106 CO 0.00 -0.00 -0.19 1.41 -0.50 0.00 0.00 175.29 176.00 2a5m s MET 107 N -2.14 2.16 -0.03 1.67 -2.45 -1.26 -1.12 119.30 116.13 2a5m s MET 107 Ca 0.53 -0.91 0.03 0.00 -1.25 0.00 0.00 55.69 54.09 2a5m s MET 107 Cb -0.25 -2.19 0.00 0.00 1.25 0.00 0.00 34.83 33.65 2a5m s MET 107 CO 0.31 0.56 -0.10 0.71 1.05 0.00 0.00 175.02 177.56 2a5m s TYR 108 N -0.81 1.01 -0.05 4.11 2.02 -0.69 -4.97 117.35 117.97 2a5m s TYR 108 Ca 0.13 -0.26 0.06 0.00 -0.37 0.00 0.00 57.07 56.63 2a5m s TYR 108 Cb -0.10 -0.72 -0.01 0.00 -0.40 0.00 0.00 41.96 40.73 2a5m s TYR 108 CO 0.03 -0.11 -0.24 -2.00 -1.57 0.00 0.00 175.55 171.66 2a5m s GLU 109 N 0.20 2.38 0.02 -0.62 2.12 -1.26 -1.32 118.70 120.22 2a5m s GLU 109 Ca -0.04 -0.85 -0.14 0.00 0.36 0.00 0.00 54.97 54.30 2a5m s GLU 109 Cb -0.09 -2.03 0.02 0.00 0.26 0.00 0.00 34.13 32.29 2a5m s GLU 109 CO 0.01 0.36 0.31 -0.08 -0.54 0.00 0.00 175.26 175.32 2a5m s THR 110 N -0.15 0.07 -1.07 -1.70 -1.32 -0.78 -5.00 115.64 105.70 2a5m s THR 110 Ca -0.03 -0.57 0.12 0.00 -1.21 0.00 0.00 61.69 60.00 2a5m s THR 110 Cb -0.13 -0.78 0.35 0.00 -1.51 0.00 0.00 72.50 70.42 2a5m s THR 110 CO 0.03 -0.32 1.29 0.35 -2.21 0.00 0.00 174.62 173.76 2a5m n THR 111 N 0.91 0.99 -4.50 5.08 -2.24 -1.26 -1.98 114.28 111.28 2a5m n THR 111 Ca -0.20 -0.99 -0.25 0.00 -2.27 0.00 0.00 64.05 60.34 2a5m n THR 111 Cb 0.58 0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 69.21 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 1.73 0.71 -0.78 0.41 -1.26 -4.86 118.70 113.66 2a5m s GLU 112 Ca 0.26 -1.86 -0.14 0.00 -0.41 0.00 0.00 54.97 52.82 2a5m s GLU 112 Cb 0.14 -1.65 0.03 0.00 -1.78 0.00 0.00 34.13 30.86 2a5m s GLU 112 CO 0.18 0.19 1.14 0.16 -0.49 0.00 0.00 175.26 176.44 2a5m s ASP 113 N -3.55 4.58 -0.22 -0.19 1.47 -1.26 -4.96 116.67 112.54 2a5m s ASP 113 Ca 0.31 2.10 0.01 0.00 1.18 0.00 0.00 52.55 56.15 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 -1.99 -0.08 0.00 0.68 0.00 0.00 175.17 173.93 2a5m h PRO 115 N 7.95 0.18 -2.92 0.00 0.13 -1.89 -2.38 132.00 133.08 2a5m h PRO 115 Ca -0.23 -0.21 -0.45 0.00 -0.87 0.00 0.00 66.00 64.24 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 0.45 0.96 -0.74 0.45 -0.23 0.00 0.00 178.00 178.89 2a5m s SER 116 N -6.92 2.44 0.20 1.44 0.15 -1.26 -2.02 113.70 107.73 2a5m s SER 116 Ca -0.03 -0.70 -0.08 0.00 0.70 0.00 0.00 55.95 55.85 2a5m s SER 116 Cb 0.10 -0.17 0.13 0.00 -1.71 0.00 0.00 66.02 64.37 2a5m s SER 116 CO 0.83 -0.37 1.74 0.40 1.20 0.00 0.00 173.24 177.04 2a5m h ILE 117 N 6.40 1.26 -0.48 6.45 2.04 -1.32 -1.89 117.51 129.98 2a5m h ILE 117 Ca -0.16 -0.93 -0.09 0.00 1.00 0.00 0.00 64.86 64.68 2a5m h ILE 117 Cb 1.12 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 2a5m h ILE 117 CO 0.32 0.37 -0.06 -0.03 0.00 0.00 0.00 178.15 178.74 2a5m h MET 118 N 1.11 0.85 -0.30 2.37 4.05 -1.81 0.31 114.93 121.52 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 0.33 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.04 2a5m h MET 118 CO -0.01 0.89 -0.47 1.49 0.23 0.00 0.00 176.91 179.04 2a5m h GLU 119 N 0.78 0.81 0.06 0.39 4.57 -1.84 0.94 114.58 120.29 2a5m h GLU 119 Ca 0.14 -0.47 -0.09 0.00 -1.18 0.00 0.00 59.36 57.76 2a5m h GLU 119 Cb 0.56 0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.19 2a5m h GLU 119 CO 0.03 1.10 -0.40 0.37 -1.18 0.00 0.00 179.01 178.94 2a5m h GLN 120 N 0.64 0.13 -0.01 1.92 5.75 -1.11 -3.39 115.11 119.04 2a5m h GLN 120 Ca 0.03 -0.22 0.00 0.00 -0.15 0.00 0.00 58.65 58.31 2a5m h GLN 120 Cb 1.05 0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.69 2a5m h GLN 120 CO 0.10 1.11 -0.04 1.19 -2.65 0.00 0.00 178.83 178.55 2a5m n PHE 121 N -4.39 0.00 -2.81 3.99 3.72 0.11 -4.98 117.46 113.10 2a5m n PHE 121 Ca -0.12 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.07 2a5m n PHE 121 Cb 0.64 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.20 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 0.42 -1.61 -4.85 1.38 8.25 0.33 -4.96 115.22 114.17 2a5m n HIS 122 Ca 0.06 0.36 -0.33 0.00 -0.26 0.00 0.00 57.72 57.55 2a5m n HIS 122 Cb 0.25 -4.19 -0.14 0.00 1.12 0.00 0.00 29.99 27.03 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 2.72 0.14 2.41 1.43 -1.25 -4.96 118.68 113.01 2a5m s LEU 123 Ca 0.21 -0.25 0.21 0.00 -1.03 0.00 0.00 54.13 53.26 2a5m s LEU 123 Cb -0.09 -1.57 -0.06 0.00 0.03 0.00 0.00 46.19 44.49 2a5m s LEU 123 CO 0.26 0.27 0.93 -2.11 0.23 0.00 0.00 176.35 175.93 2a5m n ARG 124 N 2.80 0.61 -3.90 1.70 1.85 -1.26 -3.33 116.66 115.14 2a5m n ARG 124 Ca -0.18 0.14 -0.09 0.00 -1.00 0.00 0.00 57.85 56.72 2a5m n ARG 124 Cb 0.52 -1.80 -0.07 0.00 -1.05 0.00 0.00 32.46 30.06 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 1.11 -0.09 2.89 2.02 -1.26 -4.58 118.70 115.56 2a5m s GLU 125 Ca -0.02 -1.08 0.01 0.00 0.02 0.00 0.00 54.97 53.91 2a5m s GLU 125 Cb 0.09 0.39 0.02 0.00 0.10 0.00 0.00 34.13 34.73 2a5m s GLU 125 CO 0.80 -0.41 -0.11 0.42 0.02 0.00 0.00 175.26 175.99 2a5m s ILE 126 N -3.93 1.16 -0.26 -1.63 -1.09 -0.98 -4.90 121.20 109.57 2a5m s ILE 126 Ca 0.13 -0.43 0.09 0.00 -2.23 0.00 0.00 60.65 58.21 2a5m s ILE 126 Cb 0.03 -1.10 -0.12 0.00 -1.58 0.00 0.00 42.46 39.70 2a5m s ILE 126 CO -0.03 0.37 0.31 1.41 -1.23 0.00 0.00 174.94 175.77 2a5m n HIS 127 N 4.32 0.00 -3.50 3.97 8.25 -1.25 -4.74 115.22 122.27 2a5m n HIS 127 Ca -0.18 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.11 2a5m n HIS 127 Cb 0.51 -0.09 -0.05 0.00 1.12 0.00 0.00 29.99 31.48 2a5m n HIS 127 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2a5m s SER 128 N -2.34 -0.64 -0.16 0.41 0.01 -1.24 -3.08 113.70 106.66 2a5m s SER 128 Ca 0.01 0.57 -0.30 0.00 1.31 0.00 0.00 55.95 57.53 2a5m s SER 128 Cb 0.06 0.55 0.13 0.00 0.21 0.00 0.00 66.02 66.97 2a5m s SER 128 CO 0.37 -0.68 1.00 0.00 0.41 0.00 0.00 173.24 174.34 2a5m s LYS 130 N -1.13 2.02 -0.19 0.00 1.02 -0.69 -1.69 119.74 119.09 2a5m s LYS 130 Ca -0.02 -1.78 -0.05 0.00 0.02 0.00 0.00 55.97 54.15 2a5m s LYS 130 Cb -0.00 -3.55 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 2a5m s LYS 130 CO 0.01 -1.04 -0.01 0.54 -0.92 0.00 0.00 175.35 173.94 2a5m s VAL 131 N 1.15 3.95 -0.43 3.17 0.11 -1.18 -3.53 120.40 123.64 2a5m s VAL 131 Ca 0.07 -0.32 0.02 0.00 -2.93 0.00 0.00 61.98 58.82 2a5m s VAL 131 Cb -0.22 -2.77 0.14 0.00 -1.53 0.00 0.00 36.38 31.99 2a5m s VAL 131 CO -0.04 0.44 0.24 -0.69 -3.33 0.00 0.00 175.10 171.72 2a5m s VAL 132 N 0.84 1.31 0.35 2.04 1.01 -1.26 -2.51 120.40 122.17 2a5m s VAL 132 Ca 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 61.98 59.50 2a5m s VAL 132 Cb -0.14 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.32 2a5m s VAL 132 CO 0.02 -0.90 0.00 1.21 0.00 0.00 0.00 175.10 175.43 2a5m n GLU 133 N 3.58 0.00 0.00 2.72 2.13 -1.26 -4.87 120.64 122.95 2a5m n GLU 133 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 2a5m n GLU 133 Cb 0.35 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.06 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 -0.25 0.77 2.75 8.31 0.00 0.73 -4.59 105.19 112.91 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 -1.23 2.44 -4.38 2.61 -2.24 -1.26 -4.74 114.28 105.49 2a5m n THR 135 Ca 0.00 -5.36 -0.21 0.00 -2.27 0.00 0.00 64.05 56.21 2a5m n THR 135 Cb 0.00 -1.33 -0.16 0.00 -2.10 0.00 0.00 70.33 66.74 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 -3.15 0.97 -0.05 4.78 0.52 -1.26 -0.46 118.94 120.29 2a5m s TRP 136 Ca 0.46 -0.26 0.07 0.00 0.02 0.00 0.00 56.10 56.39 2a5m s TRP 136 Cb 0.27 -0.72 -0.01 0.00 -1.15 0.00 0.00 33.47 31.86 2a5m s TRP 136 CO -0.12 -0.13 -0.25 0.42 0.02 0.00 0.00 176.95 176.89 2a5m s ILE 137 N 0.35 2.04 -0.04 2.03 1.01 -0.49 -1.75 121.20 124.35 2a5m s ILE 137 Ca -0.06 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 59.54 2a5m s ILE 137 Cb -0.10 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 2a5m s ILE 137 CO 0.01 0.57 -0.06 -0.36 0.00 0.00 0.00 174.94 175.09 2a5m s PHE 138 N -0.28 2.93 0.02 3.97 0.40 -0.31 -1.42 117.98 123.29 2a5m s PHE 138 Ca -0.00 0.01 0.08 0.00 -0.60 0.00 0.00 56.93 56.42 2a5m s PHE 138 Cb -0.13 -1.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.70 2a5m s PHE 138 CO 0.02 0.35 -0.23 0.71 0.70 0.00 0.00 175.22 176.78 2a5m s TYR 139 N -0.88 2.02 0.22 0.36 2.02 0.16 -0.51 117.35 120.74 2a5m s TYR 139 Ca 0.14 -0.39 0.09 0.00 -0.37 0.00 0.00 57.07 56.54 2a5m s TYR 139 Cb -0.11 -1.24 0.15 0.00 -0.40 0.00 0.00 41.96 40.35 2a5m s TYR 139 CO 0.04 0.05 1.49 1.49 -1.57 0.00 0.00 175.55 177.04 2a5m h GLU 140 N 5.14 0.02 -6.48 -0.62 4.81 -1.34 -1.27 114.58 114.84 2a5m h GLU 140 Ca -0.43 -0.02 -0.63 0.00 -0.13 0.00 0.00 59.36 58.15 2a5m h GLU 140 Cb 1.14 0.01 -0.15 0.00 0.63 0.00 0.00 28.75 30.38 2a5m h GLU 140 CO 0.45 0.77 -0.75 -0.51 -0.73 0.00 0.00 179.01 178.24 2a5m s LEU 141 N -7.32 2.79 1.10 1.64 1.43 -0.17 -3.36 118.68 114.78 2a5m s LEU 141 Ca -0.01 -0.69 -0.15 0.00 -1.03 0.00 0.00 54.13 52.25 2a5m s LEU 141 Cb 0.12 -1.48 0.16 0.00 0.03 0.00 0.00 46.19 45.02 2a5m s LEU 141 CO 0.79 0.10 0.49 -0.81 0.23 0.00 0.00 176.35 177.14 2a5m n PRO 142 N 0.04 -1.58 -2.50 1.29 -0.04 -1.26 -2.43 135.00 128.52 2a5m n PRO 142 Ca -0.11 -0.43 -0.20 0.00 -0.04 0.00 0.00 63.50 62.72 2a5m n PRO 142 Cb 0.56 -1.93 -0.00 0.00 -0.04 0.00 0.00 33.50 32.09 2a5m n PRO 142 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2a5m n ASN 143 N -2.88 -5.66 -3.52 3.54 4.13 -0.86 -2.71 115.26 107.30 2a5m n ASN 143 Ca 0.03 -0.03 -0.19 0.00 1.68 0.00 0.00 54.58 56.07 2a5m n ASN 143 Cb 0.57 -4.70 0.07 0.00 -1.54 0.00 0.00 39.78 34.18 2a5m n ASN 143 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2a5m n TYR 144 N -4.00 -2.10 -4.44 3.10 4.01 -1.22 -5.02 117.16 107.49 2a5m n TYR 144 Ca -0.21 0.88 -0.22 0.00 -0.16 0.00 0.00 57.90 58.19 2a5m n TYR 144 Cb 0.67 -4.70 -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 -5.52 1.58 0.82 -0.72 1.81 -1.02 -5.02 118.95 110.89 2a5m s ARG 145 Ca 0.06 -1.80 0.00 0.00 -1.72 0.00 0.00 55.73 52.26 2a5m s ARG 145 Cb -0.01 -1.22 0.00 0.00 -0.45 0.00 0.00 34.95 33.27 2a5m s ARG 145 CO 0.76 0.05 0.00 0.41 -0.68 0.00 0.00 175.30 175.84 2a5m n GLY 146 N -0.61 -1.82 3.77 -3.53 0.00 -1.26 -1.00 105.19 100.73 2a5m n GLY 146 Ca -0.05 -1.66 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 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 4.14 0.10 1.61 3.52 -1.26 -4.73 118.95 122.34 2a5m s ARG 147 Ca 0.00 1.93 0.07 0.00 -0.13 0.00 0.00 55.73 57.60 2a5m s ARG 147 Cb 0.00 -2.79 -0.04 0.00 -1.56 0.00 0.00 34.95 30.56 2a5m s ARG 147 CO 0.00 -0.27 -0.11 -0.65 -0.81 0.00 0.00 175.30 173.46 2a5m s GLN 148 N -2.13 2.08 -0.07 5.12 -0.21 -1.24 -1.54 119.66 121.66 2a5m s GLN 148 Ca 0.55 -1.04 0.04 0.00 0.02 0.00 0.00 55.36 54.93 2a5m s GLN 148 Cb -0.33 -2.28 -0.00 0.00 1.00 0.00 0.00 33.01 31.40 2a5m s GLN 148 CO 0.42 0.51 -0.20 0.71 -2.12 0.00 0.00 175.29 174.60 2a5m s TYR 149 N -1.20 2.11 -0.26 0.91 2.02 0.34 -4.62 117.35 116.66 2a5m s TYR 149 Ca 0.21 -0.74 -0.15 0.00 -0.37 0.00 0.00 57.07 56.02 2a5m s TYR 149 Cb -0.11 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 2a5m s TYR 149 CO 0.13 -0.28 0.38 -1.17 -1.57 0.00 0.00 175.55 173.03 2a5m s LEU 150 N 0.21 4.06 0.41 -1.29 2.96 -1.26 -1.16 118.68 122.61 2a5m s LEU 150 Ca -0.11 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 2a5m s LEU 150 Cb -0.15 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.08 2a5m s LEU 150 CO 0.05 -0.16 0.62 -0.76 -1.32 0.00 0.00 176.35 174.79 2a5m s LEU 151 N 1.90 3.80 0.00 -0.68 1.43 -0.72 -5.00 118.68 119.42 2a5m s LEU 151 Ca 0.16 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 2a5m s LEU 151 Cb -0.15 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 42.81 2a5m s LEU 151 CO 0.09 -0.52 0.00 0.47 0.23 0.00 0.00 176.35 176.62 2a5m n ASP 152 N -1.96 0.00 -1.11 2.29 9.92 -1.26 -4.28 116.55 120.15 2a5m n ASP 152 Ca -0.01 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.27 2a5m n ASP 152 Cb 0.57 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.06 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 0.00 -1.03 -1.24 2.85 -1.26 -0.20 118.16 117.28 2a5m n LYS 153 Ca 0.00 -1.57 0.00 0.00 -1.05 0.00 0.00 58.31 55.69 2a5m n LYS 153 Cb 0.00 -0.15 0.00 0.00 -0.65 0.00 0.00 35.03 34.23 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 0.30 2.16 -4.30 -1.58 5.02 -1.05 -4.29 118.16 114.41 2a5m n LYS 154 Ca 0.02 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.97 2a5m n LYS 154 Cb 0.96 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.86 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 -0.73 3.62 -0.40 1.97 2.02 -1.26 -3.12 118.70 120.80 2a5m s GLU 155 Ca 0.00 -0.45 -0.15 0.00 0.02 0.00 0.00 54.97 54.39 2a5m s GLU 155 Cb 0.00 -2.97 0.01 0.00 0.10 0.00 0.00 34.13 31.28 2a5m s GLU 155 CO 0.00 0.34 0.29 0.71 0.02 0.00 0.00 175.26 176.62 2a5m s TYR 156 N 0.12 3.24 -0.07 1.61 1.51 -0.68 -4.94 117.35 118.14 2a5m s TYR 156 Ca 0.01 -0.54 0.14 0.00 -1.01 0.00 0.00 57.07 55.67 2a5m s TYR 156 Cb -0.13 -2.57 -0.16 0.00 -0.11 0.00 0.00 41.96 38.99 2a5m s TYR 156 CO 0.02 -0.56 0.87 0.07 -1.11 0.00 0.00 175.55 174.84 2a5m h ARG 157 N 8.61 0.00 -6.10 -0.62 0.11 -1.85 -2.32 114.38 112.21 2a5m h ARG 157 Ca -0.28 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.25 2a5m h ARG 157 Cb 1.13 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 32.02 2a5m h ARG 157 CO 0.72 0.46 -0.80 0.15 0.10 0.00 0.00 179.97 180.60 2a5m s LYS 158 N -2.78 1.30 0.24 0.08 1.02 -1.25 -1.49 119.74 116.85 2a5m s LYS 158 Ca -0.02 -1.39 -0.06 0.00 0.02 0.00 0.00 55.97 54.52 2a5m s LYS 158 Cb 0.08 -1.44 0.24 0.00 -0.52 0.00 0.00 37.83 36.20 2a5m s LYS 158 CO 0.81 0.30 1.82 -1.00 -0.92 0.00 0.00 175.35 176.37 2a5m h PRO 159 N 3.37 1.14 0.00 -1.68 0.13 -1.85 -1.49 132.00 131.61 2a5m h PRO 159 Ca -0.44 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2a5m h PRO 159 Cb 1.20 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2a5m h PRO 159 CO 0.49 0.90 0.00 0.28 -0.23 0.00 0.00 178.00 179.43 2a5m h VAL 160 N 1.12 0.00 0.00 1.56 2.07 -1.91 -2.08 116.25 117.01 2a5m h VAL 160 Ca 0.27 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.74 2a5m h VAL 160 Cb 0.16 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2a5m h VAL 160 CO -0.03 0.00 0.00 0.44 0.02 0.00 0.00 177.57 178.00 2a5m h ASP 161 N 0.00 0.00 -0.62 0.57 5.19 -1.57 -2.13 116.42 117.87 2a5m h ASP 161 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2a5m h ASP 161 Cb 0.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.56 2a5m h ASP 161 CO 0.00 0.00 0.00 -2.67 -3.12 0.00 0.00 179.24 173.45 2a5m n TRP 162 N -2.85 1.53 -0.72 4.55 2.14 -0.78 -4.92 117.44 116.39 2a5m n TRP 162 Ca -0.00 -0.64 0.00 0.00 2.07 0.00 0.00 57.50 58.93 2a5m n TRP 162 Cb 0.20 -0.28 0.00 0.00 -0.81 0.00 0.00 31.31 30.42 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 0.97 0.63 3.85 -1.67 0.00 -0.80 -4.62 105.19 103.55 2a5m n GLY 163 Ca 0.26 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 3.78 -1.39 4.61 0.00 -1.25 -4.98 121.76 120.54 2a5m s ALA 164 Ca 0.00 -0.68 0.28 0.00 0.00 0.00 0.00 51.96 51.56 2a5m s ALA 164 Cb 0.00 -1.88 1.10 0.00 0.00 0.00 0.00 23.12 22.34 2a5m s ALA 164 CO 0.00 0.62 1.79 0.00 0.00 0.00 0.00 175.76 178.18 2a5m n ALA 165 N 1.93 2.81 -2.92 0.00 0.00 -1.26 -3.89 120.51 117.18 2a5m n ALA 165 Ca -0.19 -0.24 -0.09 0.00 0.00 0.00 0.00 53.44 52.91 2a5m n ALA 165 Cb 0.55 -1.33 -0.11 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.68 0.25 0.00 0.00 1.04 -1.26 -5.00 113.70 106.04 2a5m s SER 166 Ca 0.22 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.13 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 0.53 -0.33 0.55 -0.81 0.98 0.00 0.00 173.24 174.16 2a5m n PRO 167 N 1.47 0.74 -2.74 4.02 -0.04 -1.26 -4.79 135.00 132.39 2a5m n PRO 167 Ca -0.23 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.80 2a5m n PRO 167 Cb 0.56 -1.19 -0.03 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.48 3.66 -0.15 0.55 0.00 -1.26 -2.32 121.76 120.76 2a5m s ALA 168 Ca 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.94 2a5m s ALA 168 Cb 0.00 -3.46 0.07 0.00 0.00 0.00 0.00 23.12 19.72 2a5m s ALA 168 CO 0.00 -1.05 0.33 0.42 0.00 0.00 0.00 175.76 175.46 2a5m s ILE 169 N 3.11 -0.34 -0.23 0.00 1.01 -1.26 -4.70 121.20 118.78 2a5m s ILE 169 Ca 0.41 0.20 0.07 0.00 0.00 0.00 0.00 60.65 61.32 2a5m s ILE 169 Cb -0.15 -0.52 -0.08 0.00 0.01 0.00 0.00 42.46 41.72 2a5m s ILE 169 CO 0.07 0.08 0.25 0.00 0.00 0.00 0.00 174.94 175.34 2a5m n GLN 170 N 4.98 3.51 -3.52 2.79 1.13 -0.51 -4.57 117.38 121.18 2a5m n GLN 170 Ca -0.13 -0.02 -0.12 0.00 -1.94 0.00 0.00 57.00 54.79 2a5m n GLN 170 Cb 0.51 -0.91 -0.03 0.00 0.11 0.00 0.00 30.24 29.91 2a5m n GLN 170 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2a5m s SER 171 N -1.96 -0.44 0.04 1.08 0.15 -1.01 -0.96 113.70 110.61 2a5m s SER 171 Ca 0.01 -0.06 -0.18 0.00 0.70 0.00 0.00 55.95 56.42 2a5m s SER 171 Cb 0.05 0.54 0.03 0.00 -1.71 0.00 0.00 66.02 64.93 2a5m s SER 171 CO 0.28 -0.88 0.40 0.72 1.20 0.00 0.00 173.24 174.96 2a5m s PHE 172 N -3.50 -0.25 0.01 3.44 -0.12 -0.90 0.36 117.98 117.02 2a5m s PHE 172 Ca 0.00 0.20 -0.07 0.00 -0.05 0.00 0.00 56.93 57.01 2a5m s PHE 172 Cb 0.00 0.20 0.00 0.00 -0.63 0.00 0.00 43.02 42.60 2a5m s PHE 172 CO -0.10 -0.56 0.13 1.03 -0.05 0.00 0.00 175.22 175.67 2a5m s ARG 173 N -2.49 0.50 0.15 1.99 0.52 -0.51 -2.04 118.95 117.08 2a5m s ARG 173 Ca -0.05 -0.44 -0.18 0.00 -0.52 0.00 0.00 55.73 54.53 2a5m s ARG 173 Cb -0.01 0.21 -0.07 0.00 0.52 0.00 0.00 34.95 35.59 2a5m s ARG 173 CO -0.02 -0.12 0.63 -0.98 0.02 0.00 0.00 175.30 174.83 2a5m s ARG 174 N -1.54 4.18 -0.16 3.54 1.70 -1.26 -1.40 118.95 124.01 2a5m s ARG 174 Ca -0.14 0.75 -0.14 0.00 -0.47 0.00 0.00 55.73 55.72 2a5m s ARG 174 Cb -0.07 -3.02 -0.05 0.00 -0.57 0.00 0.00 34.95 31.24 2a5m s ARG 174 CO 0.01 0.50 0.32 0.42 -1.08 0.00 0.00 175.30 175.47 2a5m s ILE 175 N -1.36 5.29 0.03 4.99 1.01 0.39 -4.95 121.20 126.59 2a5m s ILE 175 Ca 0.37 0.60 0.01 0.00 0.00 0.00 0.00 60.65 61.63 2a5m s ILE 175 Cb -0.17 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 2a5m s ILE 175 CO 0.20 0.37 -0.06 0.68 0.00 0.00 0.00 174.94 176.13 2a5m s VAL 176 N 0.60 0.39 -2.00 2.92 -7.23 -1.26 -4.84 120.40 108.99 2a5m s VAL 176 Ca 0.17 -0.82 0.26 0.00 -1.81 0.00 0.00 61.98 59.78 2a5m s VAL 176 Cb -0.13 -0.45 0.73 0.00 0.56 0.00 0.00 36.38 37.09 2a5m s VAL 176 CO 0.05 -0.29 1.89 1.21 -0.31 0.00 0.00 175.10 177.65