#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsc n PRO 2 N 0.00 0.62 -0.86 1.61 -0.04 -1.26 -4.94 135.00 130.12 1xsc n PRO 2 Ca 0.00 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 1xsc n PRO 2 Cb 0.00 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 1xsc n PRO 2 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xsc n LEU 3 N 0.51 0.00 0.00 1.53 4.32 -1.26 -5.06 117.00 117.04 1xsc n LEU 3 Ca 0.00 0.93 0.00 0.00 -0.02 0.00 0.00 56.01 56.92 1xsc n LEU 3 Cb 0.25 -2.62 0.00 0.00 -1.62 0.00 0.00 43.42 39.43 1xsc n LEU 3 CO 0.00 -2.29 0.00 0.61 -1.22 0.00 0.00 177.39 174.49 1xsc n GLY 4 N -2.54 0.85 1.11 -0.72 0.00 -1.26 -4.78 105.19 97.85 1xsc n GLY 4 Ca 0.01 -2.22 0.04 0.00 0.00 0.00 0.00 46.02 43.84 1xsc n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xsc n SER 5 N 0.83 3.14 -4.51 1.61 2.88 -1.26 -4.94 113.62 111.37 1xsc n SER 5 Ca 0.00 -2.38 -0.29 0.00 -1.33 0.00 0.00 58.87 54.87 1xsc n SER 5 Cb 0.00 -0.53 0.24 0.00 -0.75 0.00 0.00 64.21 63.17 1xsc n SER 5 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xsc s MET 6 N -1.82 -0.76 0.52 -1.46 0.23 -1.26 -4.82 119.30 109.93 1xsc s MET 6 Ca 0.27 0.91 0.00 0.00 -1.03 0.00 0.00 55.69 55.84 1xsc s MET 6 Cb 0.20 -1.57 0.00 0.00 -1.53 0.00 0.00 34.83 31.93 1xsc s MET 6 CO 0.10 -3.64 0.00 0.00 -2.03 0.00 0.00 175.02 169.45 1xsc n ALA 7 N -4.87 -3.80 -2.62 3.16 0.00 -1.26 -4.89 120.51 106.24 1xsc n ALA 7 Ca 0.04 0.76 -0.33 0.00 0.00 0.00 0.00 53.44 53.90 1xsc n ALA 7 Cb 0.54 -1.48 -0.10 0.00 0.00 0.00 0.00 19.45 18.41 1xsc n ALA 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xsc s LEU 8 N -7.18 3.29 0.20 0.00 1.02 0.18 -4.97 118.68 111.21 1xsc s LEU 8 Ca 0.00 -0.03 -0.30 0.00 0.02 0.00 0.00 54.13 53.82 1xsc s LEU 8 Cb 0.00 -1.81 -0.08 0.00 0.02 0.00 0.00 46.19 44.32 1xsc s LEU 8 CO 0.00 0.32 0.99 -0.13 0.02 0.00 0.00 176.35 177.56 1xsc s ARG 9 N -1.15 4.74 0.14 1.70 0.52 -1.26 -0.55 118.95 123.09 1xsc s ARG 9 Ca 0.15 1.56 -0.11 0.00 -0.52 0.00 0.00 55.73 56.81 1xsc s ARG 9 Cb -0.11 -3.30 0.01 0.00 0.52 0.00 0.00 34.95 32.07 1xsc s ARG 9 CO 0.05 0.32 0.31 0.00 0.02 0.00 0.00 175.30 176.00 1xsc s ALA 10 N -0.69 -0.36 -0.25 2.13 0.00 0.34 -2.50 121.76 120.43 1xsc s ALA 10 Ca 0.44 -0.56 -0.10 0.00 0.00 0.00 0.00 51.96 51.74 1xsc s ALA 10 Cb -0.27 0.71 0.10 0.00 0.00 0.00 0.00 23.12 23.67 1xsc s ALA 10 CO 0.33 -0.62 0.55 0.00 0.00 0.00 0.00 175.76 176.02 1xsc s GLY 12 N 2.34 2.59 -0.10 0.00 0.00 0.40 -2.03 107.32 110.53 1xsc s GLY 12 Ca -0.06 -1.00 -0.02 0.00 0.00 0.00 0.00 44.72 43.64 1xsc s GLY 12 CO -0.16 -2.03 0.00 1.08 0.00 0.00 0.00 173.10 171.99 1xsc s LEU 13 N -4.12 0.71 -0.94 0.66 1.43 -1.26 -3.20 118.68 111.96 1xsc s LEU 13 Ca 0.25 -0.23 -0.24 0.00 -1.03 0.00 0.00 54.13 52.88 1xsc s LEU 13 Cb -0.01 -0.49 0.01 0.00 0.03 0.00 0.00 46.19 45.74 1xsc s LEU 13 CO 0.15 -0.21 1.65 -0.63 0.23 0.00 0.00 176.35 177.54 1xsc s ILE 14 N 1.94 3.71 0.08 -0.59 -1.09 0.50 -4.82 121.20 120.93 1xsc s ILE 14 Ca 0.04 -0.51 -0.25 0.00 -2.23 0.00 0.00 60.65 57.70 1xsc s ILE 14 Cb -0.13 -4.60 -0.06 0.00 -1.58 0.00 0.00 42.46 36.08 1xsc s ILE 14 CO -0.06 -1.51 0.75 -0.63 -1.23 0.00 0.00 174.94 172.26 1xsc s ILE 15 N 7.14 4.62 -0.12 2.92 1.01 -1.25 0.14 121.20 135.66 1xsc s ILE 15 Ca 0.55 1.61 -0.05 0.00 0.00 0.00 0.00 60.65 62.77 1xsc s ILE 15 Cb -0.03 -4.10 0.06 0.00 0.01 0.00 0.00 42.46 38.39 1xsc s ILE 15 CO -0.04 0.43 0.25 0.72 0.00 0.00 0.00 174.94 176.30 1xsc s PHE 16 N -0.48 -0.37 -0.40 3.97 -0.71 0.63 -2.09 117.98 118.54 1xsc s PHE 16 Ca 0.37 0.87 -0.29 0.00 -1.04 0.00 0.00 56.93 56.84 1xsc s PHE 16 Cb -0.21 -0.02 0.02 0.00 -1.21 0.00 0.00 43.02 41.60 1xsc s PHE 16 CO 0.24 -0.30 1.09 1.03 -1.34 0.00 0.00 175.22 175.93 1xsc s ARG 17 N 1.94 3.88 -0.31 1.99 0.52 0.23 -3.70 118.95 123.51 1xsc s ARG 17 Ca -0.03 0.78 -0.17 0.00 -0.52 0.00 0.00 55.73 55.79 1xsc s ARG 17 Cb -0.11 -3.82 -0.02 0.00 0.52 0.00 0.00 34.95 31.51 1xsc s ARG 17 CO -0.08 -1.13 0.45 0.50 0.02 0.00 0.00 175.30 175.05 1xsc s ARG 18 N 4.01 3.81 0.62 3.54 3.52 -1.26 -2.98 118.95 130.21 1xsc s ARG 18 Ca 0.46 -0.05 -0.11 0.00 -0.13 0.00 0.00 55.73 55.90 1xsc s ARG 18 Cb -0.10 -3.73 -0.04 0.00 -1.56 0.00 0.00 34.95 29.52 1xsc s ARG 18 CO 0.23 -0.46 1.03 0.00 -0.81 0.00 0.00 175.30 175.29 1xsc n LEU 20 N -2.76 0.00 -4.60 0.00 4.77 -1.26 -4.83 117.00 108.33 1xsc n LEU 20 Ca 0.06 0.45 -0.31 0.00 -0.03 0.00 0.00 56.01 56.17 1xsc n LEU 20 Cb 0.54 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 1xsc n LEU 20 CO 0.58 0.00 -0.39 0.27 -1.33 0.00 0.00 177.39 176.52 1xsc s ILE 21 N -0.90 3.60 0.70 -0.08 -5.25 -1.26 -5.04 121.20 112.98 1xsc s ILE 21 Ca 0.00 -0.91 -0.11 0.00 -0.99 0.00 0.00 60.65 58.64 1xsc s ILE 21 Cb 0.00 -2.60 0.01 0.00 2.95 0.00 0.00 42.46 42.82 1xsc s ILE 21 CO 0.00 0.31 1.07 -2.84 -1.79 0.00 0.00 174.94 171.69 1xsc s PRO 22 N -1.66 2.84 0.00 0.37 0.02 -1.26 -5.05 135.00 130.26 1xsc s PRO 22 Ca 0.19 1.04 0.00 0.00 0.02 0.00 0.00 61.00 62.25 1xsc s PRO 22 Cb -0.11 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.43 1xsc s PRO 22 CO 0.10 -1.18 0.00 1.63 -0.33 0.00 0.00 177.00 177.21 1xsc n LYS 23 N -3.06 0.00 -0.01 5.54 4.01 -1.26 -4.89 118.16 118.49 1xsc n LYS 23 Ca 0.08 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.94 1xsc n LYS 23 Cb 0.53 -0.03 0.06 0.00 -0.51 0.00 0.00 35.03 35.08 1xsc n LYS 23 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1xsc n VAL 24 N -1.40 0.05 -3.23 -0.18 0.31 -1.26 -5.00 118.33 107.62 1xsc n VAL 24 Ca 0.00 -0.53 -0.15 0.00 -0.01 0.00 0.00 64.34 63.65 1xsc n VAL 24 Cb 0.00 1.22 0.07 0.00 -0.91 0.00 0.00 33.84 34.23 1xsc n VAL 24 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1xsc n ASP 25 N 0.71 -2.94 -0.03 4.52 -0.08 -1.26 -4.95 116.55 112.51 1xsc n ASP 25 Ca 0.08 -0.49 -0.08 0.00 -1.51 0.00 0.00 54.79 52.79 1xsc n ASP 25 Cb 0.32 -4.29 -0.03 0.00 2.34 0.00 0.00 41.12 39.47 1xsc n ASP 25 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1xsc n ASN 26 N -2.61 0.71 0.00 1.67 0.23 -1.26 -5.00 115.26 109.00 1xsc n ASN 26 Ca -0.18 0.12 0.00 0.00 -0.53 0.00 0.00 54.58 53.99 1xsc n ASN 26 Cb 0.62 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 1xsc n ASN 26 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1xsc n ASN 27 N -3.44 0.00 0.00 0.53 4.13 -1.26 -4.96 115.26 110.26 1xsc n ASN 27 Ca -0.14 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.12 1xsc n ASN 27 Cb 0.53 -0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.67 1xsc n ASN 27 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xsc n ALA 28 N -1.80 0.00 -2.83 5.41 0.00 -1.26 -4.73 120.51 115.30 1xsc n ALA 28 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1xsc n ALA 28 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1xsc n ALA 28 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xsc s ILE 29 N 0.00 4.96 0.00 0.00 1.01 -1.26 -3.92 121.20 121.99 1xsc s ILE 29 Ca 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.22 1xsc s ILE 29 Cb 0.00 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.12 1xsc s ILE 29 CO 0.00 0.24 -0.06 -1.61 0.00 0.00 0.00 174.94 173.52 1xsc s GLU 30 N -2.11 0.45 0.07 2.79 8.01 -1.16 -4.41 118.70 122.34 1xsc s GLU 30 Ca 0.28 -0.27 0.02 0.00 0.01 0.00 0.00 54.97 55.00 1xsc s GLU 30 Cb -0.12 -0.41 -0.04 0.00 -4.31 0.00 0.00 34.13 29.25 1xsc s GLU 30 CO 0.20 0.11 0.13 -0.06 0.01 0.00 0.00 175.26 175.64 1xsc s PHE 31 N -0.30 3.32 0.10 1.61 0.08 0.37 0.76 117.98 123.92 1xsc s PHE 31 Ca 0.00 0.15 -0.26 0.00 0.12 0.00 0.00 56.93 56.95 1xsc s PHE 31 Cb -0.03 -1.68 -0.06 0.00 -0.57 0.00 0.00 43.02 40.67 1xsc s PHE 31 CO -0.00 0.55 0.79 -1.17 -0.10 0.00 0.00 175.22 175.29 1xsc s LEU 32 N -2.39 4.51 0.01 -0.37 2.96 -0.89 -2.33 118.68 120.18 1xsc s LEU 32 Ca 0.31 1.56 0.01 0.00 -0.22 0.00 0.00 54.13 55.79 1xsc s LEU 32 Cb -0.12 -3.29 -0.01 0.00 0.50 0.00 0.00 46.19 43.27 1xsc s LEU 32 CO 0.24 0.08 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.54 1xsc s LEU 33 N -0.47 2.08 -0.24 -0.68 1.43 0.05 -4.62 118.68 116.24 1xsc s LEU 33 Ca 0.38 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1xsc s LEU 33 Cb -0.22 -0.17 0.05 0.00 0.03 0.00 0.00 46.19 45.88 1xsc s LEU 33 CO 0.25 -0.04 -0.12 -0.76 0.23 0.00 0.00 176.35 175.91 1xsc s LEU 34 N -0.55 2.96 0.28 1.79 1.43 -0.73 0.16 118.68 124.02 1xsc s LEU 34 Ca -0.03 -1.18 -0.30 0.00 -1.03 0.00 0.00 54.13 51.59 1xsc s LEU 34 Cb -0.04 -1.45 -0.11 0.00 0.03 0.00 0.00 46.19 44.62 1xsc s LEU 34 CO -0.00 -0.16 1.61 -1.58 0.23 0.00 0.00 176.35 176.45 1xsc s GLN 35 N 1.21 4.13 0.18 1.70 0.74 0.18 -0.98 119.66 126.82 1xsc s GLN 35 Ca -0.05 2.57 -0.30 0.00 0.05 0.00 0.00 55.36 57.63 1xsc s GLN 35 Cb -0.18 -3.04 -0.08 0.00 1.10 0.00 0.00 33.01 30.81 1xsc s GLN 35 CO -0.07 -0.65 1.32 0.00 -0.55 0.00 0.00 175.29 175.35 1xsc s ALA 36 N 0.20 3.53 -2.01 1.58 0.00 0.32 -2.25 121.76 123.14 1xsc s ALA 36 Ca 0.65 1.10 0.14 0.00 0.00 0.00 0.00 51.96 53.86 1xsc s ALA 36 Cb -0.48 -3.49 0.83 0.00 0.00 0.00 0.00 23.12 19.98 1xsc s ALA 36 CO 0.45 -0.55 1.54 -1.13 0.00 0.00 0.00 175.76 176.07 1xsc n SER 37 N 2.91 0.12 -2.63 0.00 3.41 0.51 -4.59 113.62 113.34 1xsc n SER 37 Ca 0.07 -1.57 -0.02 0.00 -0.26 0.00 0.00 58.87 57.09 1xsc n SER 37 Cb 0.43 -0.01 0.02 0.00 -0.26 0.00 0.00 64.21 64.38 1xsc n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xsc n ASP 38 N -0.65 -1.23 0.00 4.04 5.68 -1.26 -4.94 116.55 118.19 1xsc n ASP 38 Ca 0.11 -1.64 0.00 0.00 -0.50 0.00 0.00 54.79 52.75 1xsc n ASP 38 Cb 0.07 2.00 0.00 0.00 -1.14 0.00 0.00 41.12 42.05 1xsc n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsc n GLY 39 N -0.52 2.01 1.33 6.12 0.00 -1.26 -3.35 105.19 109.52 1xsc n GLY 39 Ca -0.02 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.57 1xsc n GLY 39 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xsc n ILE 40 N 0.00 0.93 -3.21 -0.61 -5.35 -1.26 -4.93 119.36 104.92 1xsc n ILE 40 Ca 0.00 -0.96 -0.21 0.00 -0.27 0.00 0.00 62.75 61.30 1xsc n ILE 40 Cb 0.00 0.57 0.05 0.00 -1.74 0.00 0.00 39.64 38.53 1xsc n ILE 40 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1xsc n HIS 41 N 1.63 -2.20 -2.24 4.28 8.25 -1.21 -4.99 115.22 118.74 1xsc n HIS 41 Ca 0.24 0.69 -0.26 0.00 -0.26 0.00 0.00 57.72 58.13 1xsc n HIS 41 Cb 0.62 -4.46 0.08 0.00 1.12 0.00 0.00 29.99 27.35 1xsc n HIS 41 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1xsc s HIS 42 N -3.21 2.74 -0.27 4.41 -0.00 -1.26 -4.71 115.29 113.00 1xsc s HIS 42 Ca 0.40 0.35 -0.01 0.00 -0.00 0.00 0.00 55.06 55.80 1xsc s HIS 42 Cb -0.18 -3.21 0.04 0.00 -0.00 0.00 0.00 32.58 29.24 1xsc s HIS 42 CO 0.49 -1.47 -0.05 -1.58 -0.00 0.00 0.00 174.74 172.14 1xsc s TRP 43 N -3.24 3.16 0.03 0.38 0.52 -1.22 0.12 118.94 118.69 1xsc s TRP 43 Ca 0.61 -1.78 0.07 0.00 0.02 0.00 0.00 56.10 55.02 1xsc s TRP 43 Cb -0.10 -2.06 -0.02 0.00 -1.15 0.00 0.00 33.47 30.14 1xsc s TRP 43 CO 0.45 -0.78 -0.19 0.95 0.02 0.00 0.00 176.95 177.40 1xsc s THR 44 N 1.27 1.54 1.09 2.01 -4.23 -0.15 -4.17 115.64 113.01 1xsc s THR 44 Ca -0.03 -1.07 -0.14 0.00 -1.18 0.00 0.00 61.69 59.27 1xsc s THR 44 Cb -0.18 -1.33 0.24 0.00 1.34 0.00 0.00 72.50 72.56 1xsc s THR 44 CO -0.03 0.23 1.07 -2.16 -0.54 0.00 0.00 174.62 173.19 1xsc s PRO 45 N -0.98 -0.33 -0.62 3.99 0.04 -1.26 -1.77 135.00 134.07 1xsc s PRO 45 Ca 0.07 0.46 -0.26 0.00 0.04 0.00 0.00 61.00 61.30 1xsc s PRO 45 Cb -0.08 -1.65 -0.09 0.00 0.04 0.00 0.00 34.50 32.72 1xsc s PRO 45 CO 0.01 -3.23 2.34 -1.25 0.04 0.00 0.00 177.00 174.91 1xsc s PRO 46 N -4.92 2.00 0.69 0.56 0.04 -1.26 -4.81 135.00 127.30 1xsc s PRO 46 Ca 0.67 0.95 -0.06 0.00 0.04 0.00 0.00 61.00 62.61 1xsc s PRO 46 Cb -0.19 -4.66 0.07 0.00 0.04 0.00 0.00 34.50 29.76 1xsc s PRO 46 CO 0.59 -3.63 0.99 0.15 0.04 0.00 0.00 177.00 175.14 1xsc s LYS 47 N 8.31 2.17 -0.29 4.56 1.02 -1.26 -3.92 119.74 130.33 1xsc s LYS 47 Ca 0.92 -0.38 -0.16 0.00 0.02 0.00 0.00 55.97 56.38 1xsc s LYS 47 Cb -0.15 -2.21 0.13 0.00 -0.52 0.00 0.00 37.83 35.08 1xsc s LYS 47 CO 0.18 -1.22 0.89 0.20 -0.92 0.00 0.00 175.35 174.48 1xsc s GLY 48 N -4.53 -0.22 -0.40 -3.33 0.00 -0.86 -4.61 107.32 93.37 1xsc s GLY 48 Ca 0.60 2.91 -0.29 0.00 0.00 0.00 0.00 44.72 47.95 1xsc s GLY 48 CO 0.44 2.63 1.49 -1.58 0.00 0.00 0.00 173.10 176.08 1xsc s HIS 49 N 1.60 2.28 0.17 1.90 2.46 -1.26 0.68 115.29 123.12 1xsc s HIS 49 Ca -0.09 0.66 -0.30 0.00 0.47 0.00 0.00 55.06 55.80 1xsc s HIS 49 Cb -0.05 -4.28 -0.07 0.00 -0.13 0.00 0.00 32.58 28.05 1xsc s HIS 49 CO -0.17 -2.17 0.97 0.54 -2.47 0.00 0.00 174.74 171.45 1xsc s VAL 50 N 5.73 4.24 0.18 0.89 0.11 -1.04 -4.88 120.40 125.62 1xsc s VAL 50 Ca 0.65 2.02 -0.04 0.00 -2.93 0.00 0.00 61.98 61.67 1xsc s VAL 50 Cb -0.15 -4.29 -0.05 0.00 -1.53 0.00 0.00 36.38 30.36 1xsc s VAL 50 CO 0.33 0.39 0.41 -0.70 -3.33 0.00 0.00 175.10 172.20 1xsc s GLU 51 N -0.54 3.61 0.51 1.54 2.12 -1.26 -4.51 118.70 120.16 1xsc s GLU 51 Ca 0.45 -0.11 0.26 0.00 0.36 0.00 0.00 54.97 55.93 1xsc s GLU 51 Cb -0.25 -2.81 1.37 0.00 0.26 0.00 0.00 34.13 32.70 1xsc s GLU 51 CO 0.31 0.41 1.92 -1.00 -0.54 0.00 0.00 175.26 176.37 1xsc h PRO 52 N 2.50 0.09 0.00 4.30 0.13 -1.98 0.19 132.00 137.23 1xsc h PRO 52 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xsc h PRO 52 Cb 1.17 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1xsc h PRO 52 CO 0.71 0.06 -0.75 0.41 -0.23 0.00 0.00 178.00 178.19 1xsc n GLY 53 N -1.65 -1.29 3.91 1.56 0.00 -1.26 -4.92 105.19 101.55 1xsc n GLY 53 Ca 0.16 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 1xsc n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsc s GLU 54 N -3.13 3.36 0.66 1.61 2.12 0.68 -5.07 118.70 118.93 1xsc s GLU 54 Ca 0.07 0.12 -0.11 0.00 0.36 0.00 0.00 54.97 55.40 1xsc s GLU 54 Cb 0.15 -2.35 -0.01 0.00 0.26 0.00 0.00 34.13 32.17 1xsc s GLU 54 CO 0.75 -0.34 1.05 0.34 -0.54 0.00 0.00 175.26 176.52 1xsc s ASP 55 N -4.16 5.78 -0.03 -1.70 2.15 -1.26 -4.68 116.67 112.77 1xsc s ASP 55 Ca 0.49 1.43 -0.12 0.00 0.43 0.00 0.00 52.55 54.78 1xsc s ASP 55 Cb -0.10 -2.38 -0.07 0.00 -0.30 0.00 0.00 42.92 40.07 1xsc s ASP 55 CO 0.45 -1.16 0.61 0.44 -0.17 0.00 0.00 175.17 175.33 1xsc h ASP 56 N -0.52 -0.38 -0.82 -0.34 3.32 -1.98 -3.09 116.42 112.61 1xsc h ASP 56 Ca -0.44 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.59 1xsc h ASP 56 Cb 1.21 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.82 1xsc h ASP 56 CO 0.61 -0.05 0.40 0.25 -1.72 0.00 0.00 179.24 178.73 1xsc h LEU 57 N -0.90 1.08 -0.74 1.55 5.85 -1.96 -2.77 115.31 117.42 1xsc h LEU 57 Ca -0.05 -0.13 0.15 0.00 0.84 0.00 0.00 57.88 58.69 1xsc h LEU 57 Cb 0.34 -0.28 -0.10 0.00 0.37 0.00 0.00 40.66 41.00 1xsc h LEU 57 CO 0.08 0.91 0.24 -0.33 -0.34 0.00 0.00 178.44 178.99 1xsc h GLU 58 N 1.17 0.34 -0.82 1.25 5.08 -1.98 0.97 114.58 120.59 1xsc h GLU 58 Ca 0.28 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1xsc h GLU 58 Cb 0.11 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1xsc h GLU 58 CO -0.04 0.23 0.54 1.15 -1.00 0.00 0.00 179.01 179.89 1xsc h THR 59 N 0.35 1.21 -0.06 1.13 2.02 -1.40 1.19 112.91 117.36 1xsc h THR 59 Ca 0.42 -0.39 -0.10 0.00 0.77 0.00 0.00 66.41 67.10 1xsc h THR 59 Cb 0.68 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1xsc h THR 59 CO -0.46 0.21 -0.44 0.00 0.37 0.00 0.00 175.52 175.20 1xsc h ALA 60 N 1.30 1.16 0.07 6.16 0.00 -0.52 -0.32 119.26 127.11 1xsc h ALA 60 Ca 0.30 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xsc h ALA 60 Cb -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1xsc h ALA 60 CO -0.06 0.59 -0.03 -0.07 0.00 0.00 0.00 179.25 179.67 1xsc h LEU 61 N 0.11 -0.08 -0.61 0.00 3.38 0.23 -2.64 115.31 115.70 1xsc h LEU 61 Ca 0.01 -0.52 0.01 0.00 0.09 0.00 0.00 57.88 57.47 1xsc h LEU 61 Cb 0.83 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1xsc h LEU 61 CO 0.06 0.54 0.39 0.03 0.09 0.00 0.00 178.44 179.56 1xsc h ARG 62 N -0.77 0.77 -0.75 1.13 3.08 0.14 -1.46 114.38 116.51 1xsc h ARG 62 Ca -0.01 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.03 1xsc h ARG 62 Cb 0.60 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 1xsc h ARG 62 CO 0.02 0.51 0.50 0.00 -1.07 0.00 0.00 179.97 179.92 1xsc h ALA 63 N 1.24 1.56 0.40 0.04 0.00 -1.13 0.91 119.26 122.28 1xsc h ALA 63 Ca 0.23 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1xsc h ALA 63 Cb -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1xsc h ALA 63 CO -0.07 0.36 -0.19 1.15 0.00 0.00 0.00 179.25 180.50 1xsc h THR 64 N 0.91 0.61 0.00 0.00 2.02 -0.90 0.66 112.91 116.21 1xsc h THR 64 Ca 0.30 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.43 1xsc h THR 64 Cb 0.06 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1xsc h THR 64 CO -0.09 0.01 -0.11 0.06 0.37 0.00 0.00 175.52 175.76 1xsc h GLN 65 N -0.56 0.00 0.18 6.66 3.07 0.47 0.98 115.11 125.91 1xsc h GLN 65 Ca -0.06 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.41 1xsc h GLN 65 Cb 0.43 0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.02 1xsc h GLN 65 CO 0.09 0.11 -1.18 0.93 0.09 0.00 0.00 178.83 178.88 1xsc h GLU 66 N 0.00 0.48 -0.15 0.06 4.39 0.13 0.92 114.58 120.41 1xsc h GLU 66 Ca -0.00 -0.76 0.00 0.00 0.34 0.00 0.00 59.36 58.94 1xsc h GLU 66 Cb 0.75 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1xsc h GLU 66 CO 0.01 1.35 0.00 0.39 -1.16 0.00 0.00 179.01 179.61 1xsc n GLU 67 N -3.89 1.70 0.00 2.33 4.71 0.23 -4.38 120.64 121.34 1xsc n GLU 67 Ca -0.15 -1.71 0.00 0.00 -0.01 0.00 0.00 57.16 55.29 1xsc n GLU 67 Cb 0.97 -1.34 0.00 0.00 -1.01 0.00 0.00 31.44 30.06 1xsc n GLU 67 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1xsc n ALA 68 N 0.96 0.00 -0.83 0.62 0.00 0.33 -3.64 120.51 117.95 1xsc n ALA 68 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1xsc n ALA 68 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1xsc n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xsc n GLY 69 N 0.00 0.59 3.53 0.00 0.00 0.32 -0.03 105.19 109.60 1xsc n GLY 69 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1xsc n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsc s ILE 70 N -2.75 4.73 0.39 -0.61 1.01 -1.19 -4.74 121.20 118.04 1xsc s ILE 70 Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 60.65 60.69 1xsc s ILE 70 Cb 0.00 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 1xsc s ILE 70 CO 0.00 0.34 0.34 -1.83 0.00 0.00 0.00 174.94 173.79 1xsc s GLU 71 N 1.38 2.56 0.41 2.79 -1.05 -1.26 0.28 118.70 123.81 1xsc s GLU 71 Ca 0.06 -1.49 0.22 0.00 -0.15 0.00 0.00 54.97 53.60 1xsc s GLU 71 Cb -0.15 -2.37 1.20 0.00 -0.44 0.00 0.00 34.13 32.37 1xsc s GLU 71 CO 0.05 -0.11 1.73 0.00 0.95 0.00 0.00 175.26 177.89 1xsc h ALA 72 N 1.12 2.38 0.00 -0.84 0.00 -1.87 1.21 119.26 121.26 1xsc h ALA 72 Ca -0.42 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1xsc h ALA 72 Cb 1.26 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1xsc h ALA 72 CO 0.58 -0.84 -0.16 0.78 0.00 0.00 0.00 179.25 179.61 1xsc h GLY 73 N 0.30 0.00 0.33 0.00 0.00 -1.99 -2.69 103.07 99.02 1xsc h GLY 73 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.98 1xsc h GLY 73 CO -0.32 0.00 -0.38 -0.18 0.00 0.00 0.00 176.54 175.66 1xsc n GLN 74 N -3.28 0.60 -3.48 4.80 7.27 0.40 -4.94 117.38 118.75 1xsc n GLN 74 Ca 0.01 -0.38 -0.14 0.00 0.07 0.00 0.00 57.00 56.56 1xsc n GLN 74 Cb 0.42 -1.49 -0.05 0.00 2.41 0.00 0.00 30.24 31.53 1xsc n GLN 74 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1xsc n LEU 75 N -0.87 0.00 -3.93 1.69 -0.00 -0.54 -2.13 117.00 111.23 1xsc n LEU 75 Ca 0.10 -2.03 -0.31 0.00 -0.00 0.00 0.00 56.01 53.78 1xsc n LEU 75 Cb 0.35 0.90 -0.15 0.00 -0.00 0.00 0.00 43.42 44.52 1xsc n LEU 75 CO 0.29 -0.33 -0.36 -0.89 -0.00 0.00 0.00 177.39 176.11 1xsc s THR 76 N -2.72 1.71 -0.45 1.47 2.01 0.15 -4.76 115.64 113.04 1xsc s THR 76 Ca 0.20 -1.76 -0.29 0.00 0.31 0.00 0.00 61.69 60.15 1xsc s THR 76 Cb 0.01 -2.16 0.02 0.00 0.01 0.00 0.00 72.50 70.38 1xsc s THR 76 CO 0.14 -0.45 1.27 -0.63 -0.69 0.00 0.00 174.62 174.26 1xsc s ILE 77 N 1.23 4.05 0.26 1.82 -1.09 -1.25 -1.27 121.20 124.94 1xsc s ILE 77 Ca 0.05 1.06 -0.30 0.00 -2.23 0.00 0.00 60.65 59.24 1xsc s ILE 77 Cb -0.19 -4.42 -0.09 0.00 -1.58 0.00 0.00 42.46 36.18 1xsc s ILE 77 CO -0.12 -0.91 1.17 -0.63 -1.23 0.00 0.00 174.94 173.22 1xsc s ILE 78 N 4.97 3.37 0.14 2.92 1.09 0.34 -4.97 121.20 129.06 1xsc s ILE 78 Ca 0.54 1.30 -0.07 0.00 -1.10 0.00 0.00 60.65 61.32 1xsc s ILE 78 Cb -0.10 -3.83 -0.06 0.00 -1.06 0.00 0.00 42.46 37.41 1xsc s ILE 78 CO 0.32 0.27 0.42 -1.61 -0.10 0.00 0.00 174.94 174.24 1xsc s GLU 79 N -1.09 3.69 0.00 2.79 2.02 -1.26 -4.30 118.70 120.55 1xsc s GLU 79 Ca 0.48 0.04 0.00 0.00 0.02 0.00 0.00 54.97 55.52 1xsc s GLU 79 Cb -0.34 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.05 1xsc s GLU 79 CO 0.42 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.57 1xsc n GLY 80 N 0.23 3.10 3.65 -1.39 0.00 -1.26 -5.05 105.19 104.48 1xsc n GLY 80 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 1xsc n GLY 80 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xsc s PHE 81 N -2.81 3.30 -0.26 1.61 2.19 -1.26 -5.06 117.98 115.69 1xsc s PHE 81 Ca 0.00 0.17 -0.12 0.00 0.33 0.00 0.00 56.93 57.31 1xsc s PHE 81 Cb 0.00 -2.25 0.09 0.00 -1.31 0.00 0.00 43.02 39.55 1xsc s PHE 81 CO 0.00 0.05 0.59 0.21 1.83 0.00 0.00 175.22 177.91 1xsc s LYS 82 N 1.02 0.57 -0.19 10.12 2.20 -1.26 -4.57 119.74 127.63 1xsc s LYS 82 Ca 0.07 1.19 -0.16 0.00 -0.36 0.00 0.00 55.97 56.71 1xsc s LYS 82 Cb -0.13 0.33 0.05 0.00 -1.51 0.00 0.00 37.83 36.57 1xsc s LYS 82 CO 0.04 -0.18 0.49 0.50 -0.36 0.00 0.00 175.35 175.85 1xsc s ARG 83 N 2.05 0.55 -0.07 4.03 6.06 -1.19 -4.98 118.95 125.40 1xsc s ARG 83 Ca -0.08 0.75 0.04 0.00 -2.50 0.00 0.00 55.73 53.94 1xsc s ARG 83 Cb -0.08 0.22 -0.01 0.00 0.06 0.00 0.00 34.95 35.13 1xsc s ARG 83 CO -0.18 -0.09 -0.21 -1.83 -2.50 0.00 0.00 175.30 170.49 1xsc s GLU 84 N 0.57 2.74 -0.30 5.12 1.03 -1.25 0.12 118.70 126.73 1xsc s GLU 84 Ca -0.02 -0.83 -0.11 0.00 0.03 0.00 0.00 54.97 54.03 1xsc s GLU 84 Cb -0.04 -2.29 -0.03 0.00 -0.80 0.00 0.00 34.13 30.97 1xsc s GLU 84 CO -0.03 0.37 0.18 -0.51 -1.33 0.00 0.00 175.26 173.94 1xsc s LEU 85 N -0.11 4.11 -0.15 1.83 1.43 0.32 -4.74 118.68 121.37 1xsc s LEU 85 Ca -0.04 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1xsc s LEU 85 Cb -0.14 -2.08 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 1xsc s LEU 85 CO 0.04 -0.13 -0.16 0.54 0.23 0.00 0.00 176.35 176.88 1xsc s ASN 86 N 1.70 3.68 -0.28 2.29 2.20 -1.24 0.03 114.94 123.32 1xsc s ASN 86 Ca 0.06 -0.45 -0.25 0.00 -0.94 0.00 0.00 52.86 51.28 1xsc s ASN 86 Cb -0.16 -1.56 0.12 0.00 -2.00 0.00 0.00 41.25 37.64 1xsc s ASN 86 CO 0.09 0.10 0.99 -0.72 -2.94 0.00 0.00 177.10 174.62 1xsc s TYR 87 N 0.70 -0.51 -0.51 1.54 -0.85 -1.19 -4.92 117.35 111.61 1xsc s TYR 87 Ca -0.07 1.25 -0.28 0.00 -0.52 0.00 0.00 57.07 57.44 1xsc s TYR 87 Cb -0.16 0.35 0.03 0.00 0.38 0.00 0.00 41.96 42.57 1xsc s TYR 87 CO 0.02 -0.25 1.14 0.54 -1.52 0.00 0.00 175.55 175.47 1xsc s VAL 88 N 0.22 4.17 0.00 -3.49 0.11 -1.26 -1.90 120.40 118.24 1xsc s VAL 88 Ca 0.03 1.09 0.00 0.00 -2.93 0.00 0.00 61.98 60.16 1xsc s VAL 88 Cb -0.05 -4.63 0.00 0.00 -1.53 0.00 0.00 36.38 30.17 1xsc s VAL 88 CO -0.05 -1.10 0.00 0.00 -3.33 0.00 0.00 175.10 170.62 1xsc n ALA 89 N 7.98 0.00 -0.09 1.54 0.00 -1.12 -4.68 120.51 124.14 1xsc n ALA 89 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.42 1xsc n ALA 89 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.94 1xsc n ALA 89 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1xsc h ARG 90 N 0.00 0.86 0.00 0.00 -0.00 -2.04 -3.43 114.38 109.77 1xsc h ARG 90 Ca 0.00 -0.47 0.00 0.00 -0.00 0.00 0.00 59.98 59.51 1xsc h ARG 90 Cb 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 29.97 29.99 1xsc h ARG 90 CO 0.00 1.11 0.00 -1.71 -0.00 0.00 0.00 179.97 179.37 1xsc n ASN 91 N -4.04 0.00 -3.65 0.08 2.85 -1.26 -5.14 115.26 104.09 1xsc n ASN 91 Ca -0.02 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.40 1xsc n ASN 91 Cb 0.56 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.51 1xsc n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1xsc s LYS 92 N 0.00 0.55 -0.20 1.20 2.47 -1.26 -5.08 119.74 117.41 1xsc s LYS 92 Ca 0.00 1.24 -0.29 0.00 -1.56 0.00 0.00 55.97 55.36 1xsc s LYS 92 Cb 0.00 0.47 -0.02 0.00 -1.46 0.00 0.00 37.83 36.82 1xsc s LYS 92 CO 0.00 -0.19 1.38 -1.25 0.16 0.00 0.00 175.35 175.45 1xsc s PRO 93 N 2.32 4.05 -0.25 4.03 0.04 -1.26 -2.78 135.00 141.15 1xsc s PRO 93 Ca -0.07 1.60 -0.09 0.00 0.04 0.00 0.00 61.00 62.49 1xsc s PRO 93 Cb -0.10 -3.87 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 1xsc s PRO 93 CO -0.17 -0.95 0.12 0.15 0.04 0.00 0.00 177.00 176.19 1xsc s LYS 94 N 3.97 3.84 -0.38 4.56 -0.14 -0.80 0.47 119.74 131.27 1xsc s LYS 94 Ca 0.60 -0.38 -0.22 0.00 -1.36 0.00 0.00 55.97 54.61 1xsc s LYS 94 Cb -0.22 -3.45 0.01 0.00 -1.68 0.00 0.00 37.83 32.48 1xsc s LYS 94 CO 0.21 -0.10 0.74 0.99 -0.76 0.00 0.00 175.35 176.43 1xsc s THR 95 N 1.46 4.77 -0.32 2.17 2.01 0.28 -3.20 115.64 122.81 1xsc s THR 95 Ca 0.06 0.69 -0.04 0.00 0.31 0.00 0.00 61.69 62.72 1xsc s THR 95 Cb -0.15 -4.19 0.05 0.00 0.01 0.00 0.00 72.50 68.22 1xsc s THR 95 CO 0.06 -0.45 0.06 -0.69 -0.69 0.00 0.00 174.62 172.91 1xsc s VAL 96 N 3.00 3.34 -0.05 3.82 1.01 0.10 0.13 120.40 131.76 1xsc s VAL 96 Ca 0.29 -1.31 -0.25 0.00 0.00 0.00 0.00 61.98 60.70 1xsc s VAL 96 Cb -0.13 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1xsc s VAL 96 CO 0.17 -0.17 0.77 -0.63 0.00 0.00 0.00 175.10 175.24 1xsc s ILE 97 N 1.31 4.99 -0.06 2.22 -1.09 -0.94 0.12 121.20 127.75 1xsc s ILE 97 Ca -0.03 1.60 0.04 0.00 -2.23 0.00 0.00 60.65 60.03 1xsc s ILE 97 Cb -0.20 -4.11 -0.02 0.00 -1.58 0.00 0.00 42.46 36.55 1xsc s ILE 97 CO 0.00 0.23 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.47 1xsc s TYR 98 N 0.82 2.64 0.03 3.97 2.02 0.32 0.15 117.35 127.30 1xsc s TYR 98 Ca 0.41 -0.35 0.06 0.00 -0.37 0.00 0.00 57.07 56.83 1xsc s TYR 98 Cb -0.19 -1.65 -0.02 0.00 -0.40 0.00 0.00 41.96 39.71 1xsc s TYR 98 CO 0.21 0.04 -0.19 -1.58 -1.57 0.00 0.00 175.55 172.46 1xsc s TRP 99 N -0.46 1.66 -0.09 2.71 0.51 -1.19 -3.17 118.94 118.91 1xsc s TRP 99 Ca 0.06 -0.35 -0.30 0.00 -2.12 0.00 0.00 56.10 53.38 1xsc s TRP 99 Cb -0.12 -1.01 -0.03 0.00 -0.81 0.00 0.00 33.47 31.50 1xsc s TRP 99 CO 0.02 0.05 1.21 -0.51 -0.51 0.00 0.00 176.95 177.21 1xsc s LEU 100 N -0.99 4.25 0.02 2.99 1.43 -1.26 0.19 118.68 125.32 1xsc s LEU 100 Ca 0.06 1.77 0.04 0.00 -1.03 0.00 0.00 54.13 54.97 1xsc s LEU 100 Cb -0.08 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 1xsc s LEU 100 CO 0.01 -0.63 -0.11 0.00 0.23 0.00 0.00 176.35 175.85 1xsc s ALA 101 N 2.55 0.93 -0.22 4.21 0.00 0.36 0.13 121.76 129.72 1xsc s ALA 101 Ca 0.55 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1xsc s ALA 101 Cb -0.24 -0.15 0.05 0.00 0.00 0.00 0.00 23.12 22.78 1xsc s ALA 101 CO 0.20 0.17 -0.09 -2.00 0.00 0.00 0.00 175.76 174.04 1xsc s GLU 102 N -0.85 2.00 -0.32 0.00 2.12 -0.40 0.23 118.70 121.49 1xsc s GLU 102 Ca 0.01 -0.98 -0.29 0.00 0.36 0.00 0.00 54.97 54.06 1xsc s GLU 102 Cb -0.07 -2.56 -0.01 0.00 0.26 0.00 0.00 34.13 31.75 1xsc s GLU 102 CO 0.01 -0.49 1.49 0.14 -0.54 0.00 0.00 175.26 175.86 1xsc s VAL 103 N 1.33 3.85 -1.12 3.70 -7.23 -1.24 0.30 120.40 119.99 1xsc s VAL 103 Ca -0.04 0.93 0.07 0.00 -1.81 0.00 0.00 61.98 61.12 1xsc s VAL 103 Cb -0.18 -3.98 0.07 0.00 0.56 0.00 0.00 36.38 32.86 1xsc s VAL 103 CO -0.07 -0.50 1.17 2.29 -0.31 0.00 0.00 175.10 177.67 1xsc n LYS 104 N 7.80 0.03 -3.81 4.82 0.00 -0.90 -4.36 118.16 121.73 1xsc n LYS 104 Ca 0.17 0.34 -0.36 0.00 -0.00 0.00 0.00 58.31 58.46 1xsc n LYS 104 Cb 0.47 -1.50 -0.13 0.00 -0.00 0.00 0.00 35.03 33.87 1xsc n LYS 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1xsc s ASP 105 N -2.88 5.15 0.28 -5.58 1.01 -1.26 -4.96 116.67 108.43 1xsc s ASP 105 Ca 0.04 -1.45 0.01 0.00 0.71 0.00 0.00 52.55 51.86 1xsc s ASP 105 Cb 0.04 -1.80 0.53 0.00 1.01 0.00 0.00 42.92 42.70 1xsc s ASP 105 CO 0.11 -0.37 1.85 0.22 0.21 0.00 0.00 175.17 177.20 1xsc h TYR 106 N 8.10 1.14 -0.79 4.23 3.20 -2.00 0.23 116.97 131.07 1xsc h TYR 106 Ca -0.20 0.03 -0.30 0.00 3.14 0.00 0.00 58.73 61.40 1xsc h TYR 106 Cb 1.06 -0.37 -0.18 0.00 1.54 0.00 0.00 36.73 38.79 1xsc h TYR 106 CO 0.59 0.50 0.37 -0.25 -1.64 0.00 0.00 178.16 177.73 1xsc n ASP 107 N -4.58 4.39 -4.48 -2.11 10.43 -1.26 -5.01 116.55 113.93 1xsc n ASP 107 Ca 0.18 -3.37 -0.41 0.00 2.57 0.00 0.00 54.79 53.76 1xsc n ASP 107 Cb 0.31 -0.77 0.02 0.00 1.84 0.00 0.00 41.12 42.51 1xsc n ASP 107 CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 1xsc n VAL 108 N -0.51 1.98 -2.20 2.53 3.14 0.79 -4.89 118.33 119.17 1xsc n VAL 108 Ca 0.46 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 60.95 1xsc n VAL 108 Cb 1.46 -0.66 -0.02 0.00 -1.06 0.00 0.00 33.84 33.56 1xsc n VAL 108 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1xsc s GLU 109 N -1.76 4.07 -0.38 1.45 1.03 -1.26 -5.01 118.70 116.84 1xsc s GLU 109 Ca 0.65 1.98 0.04 0.00 0.03 0.00 0.00 54.97 57.66 1xsc s GLU 109 Cb -0.56 -2.76 0.11 0.00 -0.80 0.00 0.00 34.13 30.12 1xsc s GLU 109 CO 0.57 -0.35 0.10 0.42 -1.33 0.00 0.00 175.26 174.67 1xsc s ILE 110 N -1.33 2.24 -0.52 1.83 -1.09 -1.24 -4.34 121.20 116.74 1xsc s ILE 110 Ca 0.56 -2.51 -0.14 0.00 -2.23 0.00 0.00 60.65 56.32 1xsc s ILE 110 Cb -0.34 -2.63 0.13 0.00 -1.58 0.00 0.00 42.46 38.03 1xsc s ILE 110 CO 0.43 -0.66 0.46 -0.13 -1.23 0.00 0.00 174.94 173.82 1xsc s ARG 111 N 0.67 2.86 0.20 2.79 0.52 0.96 -4.84 118.95 122.10 1xsc s ARG 111 Ca 0.12 -1.73 -0.00 0.00 -0.52 0.00 0.00 55.73 53.60 1xsc s ARG 111 Cb -0.21 -4.20 0.04 0.00 0.52 0.00 0.00 34.95 31.10 1xsc s ARG 111 CO -0.07 -1.29 0.27 1.28 0.02 0.00 0.00 175.30 175.51 1xsc n LEU 112 N 5.15 0.00 0.00 2.53 4.77 -1.24 0.20 117.00 128.41 1xsc n LEU 112 Ca -0.12 -0.56 -0.08 0.00 -0.03 0.00 0.00 56.01 55.22 1xsc n LEU 112 Cb 0.40 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1xsc n LEU 112 CO 0.51 -0.63 -0.05 -0.24 -1.33 0.00 0.00 177.39 175.64 1xsc n SER 113 N -2.98 1.61 0.25 -1.43 2.88 -1.26 -4.81 113.62 107.87 1xsc n SER 113 Ca 0.04 -1.59 0.11 0.00 -1.33 0.00 0.00 58.87 56.11 1xsc n SER 113 Cb 0.16 0.20 0.63 0.00 -0.75 0.00 0.00 64.21 64.45 1xsc n SER 113 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1xsc h HIS 114 N 1.13 0.00 0.00 0.66 3.86 -2.00 -1.94 115.15 116.86 1xsc h HIS 114 Ca -0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1xsc h HIS 114 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1xsc h HIS 114 CO 0.00 0.16 0.00 0.39 0.86 0.00 0.00 177.93 179.34 1xsc n GLU 115 N -3.62 0.14 -3.95 2.45 -0.58 -1.26 -4.55 120.64 109.26 1xsc n GLU 115 Ca -0.01 0.14 -0.31 0.00 -0.42 0.00 0.00 57.16 56.56 1xsc n GLU 115 Cb 0.30 -1.67 -0.15 0.00 -0.57 0.00 0.00 31.44 29.35 1xsc n GLU 115 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1xsc s HIS 116 N -3.07 2.78 -0.40 -0.32 3.76 -0.73 -0.37 115.29 116.96 1xsc s HIS 116 Ca 0.11 -2.17 0.27 0.00 -0.15 0.00 0.00 55.06 53.12 1xsc s HIS 116 Cb 0.15 -2.00 0.91 0.00 1.11 0.00 0.00 32.58 32.75 1xsc s HIS 116 CO 0.54 -0.85 1.78 -0.56 -0.85 0.00 0.00 174.74 174.79 1xsc h GLN 117 N 7.86 0.00 0.00 1.40 3.07 -1.65 -3.36 115.11 122.42 1xsc h GLN 117 Ca -0.14 0.00 0.21 0.00 0.09 0.00 0.00 58.65 58.82 1xsc h GLN 117 Cb 1.04 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.57 1xsc h GLN 117 CO 0.46 0.00 0.67 0.00 0.09 0.00 0.00 178.83 180.05 1xsc n ALA 118 N -1.92 -2.90 -2.68 0.06 0.00 -1.25 -5.01 120.51 106.82 1xsc n ALA 118 Ca 0.03 -0.92 -0.12 0.00 0.00 0.00 0.00 53.44 52.43 1xsc n ALA 118 Cb 0.36 0.42 -0.07 0.00 0.00 0.00 0.00 19.45 20.16 1xsc n ALA 118 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1xsc s TYR 119 N -2.17 0.89 0.02 0.00 1.13 -1.26 0.48 117.35 116.44 1xsc s TYR 119 Ca 0.24 -1.14 -0.26 0.00 -1.41 0.00 0.00 57.07 54.51 1xsc s TYR 119 Cb -0.02 -0.22 0.06 0.00 -1.10 0.00 0.00 41.96 40.68 1xsc s TYR 119 CO 0.03 -0.86 0.58 1.03 -2.51 0.00 0.00 175.55 173.82 1xsc s ARG 120 N -3.89 1.06 -0.30 -3.49 0.52 0.12 -4.88 118.95 108.09 1xsc s ARG 120 Ca 0.32 -0.06 0.01 0.00 -0.52 0.00 0.00 55.73 55.48 1xsc s ARG 120 Cb 0.03 0.49 0.07 0.00 0.52 0.00 0.00 34.95 36.06 1xsc s ARG 120 CO 0.13 -0.37 -0.02 -1.58 0.02 0.00 0.00 175.30 173.48 1xsc s TRP 121 N -2.05 3.40 0.28 -0.53 0.52 -1.26 -0.77 118.94 118.54 1xsc s TRP 121 Ca -0.07 -2.35 0.03 0.00 0.02 0.00 0.00 56.10 53.72 1xsc s TRP 121 Cb -0.01 -2.29 -0.04 0.00 -1.15 0.00 0.00 33.47 29.99 1xsc s TRP 121 CO 0.02 -0.88 0.16 -0.51 0.02 0.00 0.00 176.95 175.75 1xsc s LEU 122 N 1.10 1.59 0.00 2.99 1.02 -0.98 -4.87 118.68 119.53 1xsc s LEU 122 Ca -0.03 -1.53 0.00 0.00 0.02 0.00 0.00 54.13 52.60 1xsc s LEU 122 Cb -0.20 0.23 0.00 0.00 0.02 0.00 0.00 46.19 46.24 1xsc s LEU 122 CO -0.04 -0.87 0.00 0.61 0.02 0.00 0.00 176.35 176.06 1xsc n GLY 123 N -0.52 0.36 0.17 -3.19 0.00 -1.26 0.14 105.19 100.88 1xsc n GLY 123 Ca 0.02 -1.53 -0.21 0.00 0.00 0.00 0.00 46.02 44.29 1xsc n GLY 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xsc h LEU 124 N 0.00 0.79 0.19 0.99 5.85 -1.92 -1.71 115.31 119.50 1xsc h LEU 124 Ca 0.00 -0.81 -0.01 0.00 0.84 0.00 0.00 57.88 57.90 1xsc h LEU 124 Cb 0.00 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.78 1xsc h LEU 124 CO 0.00 1.52 -0.09 1.05 -0.34 0.00 0.00 178.44 180.58 1xsc h GLU 125 N 0.17 -0.24 -0.05 1.25 4.11 -1.97 0.10 114.58 117.94 1xsc h GLU 125 Ca -0.16 0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.27 1xsc h GLU 125 Cb 1.76 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 31.07 1xsc h GLU 125 CO 0.21 -0.12 -0.04 0.93 0.07 0.00 0.00 179.01 180.05 1xsc h GLU 126 N -0.30 0.12 -0.44 1.06 3.07 -1.93 0.18 114.58 116.35 1xsc h GLU 126 Ca -0.03 -0.06 0.13 0.00 -0.50 0.00 0.00 59.36 58.90 1xsc h GLU 126 Cb 0.23 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1xsc h GLU 126 CO 0.04 0.55 0.40 0.00 -1.40 0.00 0.00 179.01 178.61 1xsc h ALA 127 N 0.57 2.23 0.06 3.43 0.00 -1.29 0.59 119.26 124.84 1xsc h ALA 127 Ca 0.01 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1xsc h ALA 127 Cb 0.53 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1xsc h ALA 127 CO 0.01 -0.63 -1.35 0.00 0.00 0.00 0.00 179.25 177.29 1xsc h GLN 129 N 0.04 0.36 0.11 0.00 3.07 0.32 -3.14 115.11 115.87 1xsc h GLN 129 Ca -0.16 -0.07 -0.28 0.00 0.09 0.00 0.00 58.65 58.23 1xsc h GLN 129 Cb 1.93 -0.05 0.02 0.00 0.08 0.00 0.00 27.48 29.45 1xsc h GLN 129 CO 0.14 0.43 -1.20 -0.07 0.09 0.00 0.00 178.83 178.23 1xsc h LEU 130 N 0.21 0.64 -4.45 0.06 3.38 -1.34 -3.33 115.31 110.48 1xsc h LEU 130 Ca 0.08 -0.61 -0.23 0.00 0.09 0.00 0.00 57.88 57.21 1xsc h LEU 130 Cb 0.22 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1xsc h LEU 130 CO -0.00 1.44 0.57 0.00 0.09 0.00 0.00 178.44 180.53 1xsc n ALA 131 N -2.60 5.34 -0.59 1.53 0.00 -0.75 -3.37 120.51 120.07 1xsc n ALA 131 Ca -0.11 -1.70 0.46 0.00 0.00 0.00 0.00 53.44 52.10 1xsc n ALA 131 Cb 0.97 -2.50 0.73 0.00 0.00 0.00 0.00 19.45 18.66 1xsc n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsc n GLN 132 N 2.90 -0.01 -1.83 0.00 0.00 -1.25 -4.08 117.38 113.11 1xsc n GLN 132 Ca 0.39 1.08 -0.42 0.00 0.00 0.00 0.00 57.00 58.05 1xsc n GLN 132 Cb 0.59 -2.36 -0.03 0.00 0.00 0.00 0.00 30.24 28.45 1xsc n GLN 132 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1xsc s PHE 133 N -4.90 1.68 0.21 2.61 0.40 -1.26 -4.88 117.98 111.84 1xsc s PHE 133 Ca -0.06 -0.12 -0.12 0.00 -0.60 0.00 0.00 56.93 56.03 1xsc s PHE 133 Cb 0.27 -4.09 0.27 0.00 0.51 0.00 0.00 43.02 39.98 1xsc s PHE 133 CO 0.82 -4.71 1.63 -0.22 0.70 0.00 0.00 175.22 173.44 1xsc h LYS 134 N 9.92 0.03 -0.52 0.44 3.11 -1.98 -1.51 116.57 126.06 1xsc h LYS 134 Ca -0.45 -0.00 0.10 0.00 -2.81 0.00 0.00 60.65 57.49 1xsc h LYS 134 Cb 1.21 -0.01 -0.11 0.00 -1.00 0.00 0.00 32.23 32.33 1xsc h LYS 134 CO 0.95 0.02 -0.29 0.93 -2.81 0.00 0.00 179.45 178.25 1xsc h GLU 135 N 0.03 -0.16 -0.71 1.90 3.07 -1.90 -0.80 114.58 116.02 1xsc h GLU 135 Ca 0.32 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.20 1xsc h GLU 135 Cb 0.50 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.41 1xsc h GLU 135 CO -0.63 -0.10 0.47 0.52 -1.40 0.00 0.00 179.01 177.86 1xsc h MET 136 N -0.16 0.93 -0.89 2.33 2.86 -1.57 0.13 114.93 118.56 1xsc h MET 136 Ca 0.22 -0.06 0.16 0.00 -2.06 0.00 0.00 59.70 57.97 1xsc h MET 136 Cb 0.52 -0.21 -0.07 0.00 0.06 0.00 0.00 31.60 31.90 1xsc h MET 136 CO -0.61 0.62 0.58 0.87 1.06 0.00 0.00 176.91 179.42 1xsc h LYS 137 N 0.96 0.58 0.10 1.72 6.56 -0.59 0.26 116.57 126.16 1xsc h LYS 137 Ca 0.26 -0.03 -0.23 0.00 -1.06 0.00 0.00 60.65 59.58 1xsc h LYS 137 Cb -0.11 -0.13 0.02 0.00 -0.57 0.00 0.00 32.23 31.44 1xsc h LYS 137 CO -0.06 0.38 -0.97 0.00 -2.06 0.00 0.00 179.45 176.75 1xsc h ALA 138 N 1.61 -0.02 -0.79 3.86 0.00 -0.59 -0.34 119.26 122.99 1xsc h ALA 138 Ca 0.46 -0.70 0.09 0.00 0.00 0.00 0.00 54.91 54.75 1xsc h ALA 138 Cb 0.87 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 1xsc h ALA 138 CO -0.21 0.51 0.45 0.00 0.00 0.00 0.00 179.25 180.00 1xsc h ALA 139 N 0.23 1.11 0.00 0.00 0.00 0.53 0.63 119.26 121.76 1xsc h ALA 139 Ca -0.15 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1xsc h ALA 139 Cb 1.69 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1xsc h ALA 139 CO 0.18 0.09 -0.69 -0.07 0.00 0.00 0.00 179.25 178.77 1xsc h LEU 140 N 0.77 0.00 0.10 0.00 3.38 -0.62 -2.06 115.31 116.89 1xsc h LEU 140 Ca 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 1xsc h LEU 140 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1xsc h LEU 140 CO -0.23 0.69 -0.05 1.56 0.09 0.00 0.00 178.44 180.50 1xsc h GLN 141 N 0.00 -0.13 -0.00 1.13 1.08 0.85 -2.86 115.11 115.18 1xsc h GLN 141 Ca -0.01 0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 57.09 1xsc h GLN 141 Cb 1.45 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.90 1xsc h GLN 141 CO 0.09 0.29 -0.51 0.93 -0.95 0.00 0.00 178.83 178.68 1xsc h GLU 142 N -0.60 0.00 -0.16 1.46 5.08 0.08 -1.06 114.58 119.38 1xsc h GLU 142 Ca -0.01 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1xsc h GLU 142 Cb 0.48 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1xsc h GLU 142 CO 0.02 0.51 0.00 0.78 -1.00 0.00 0.00 179.01 179.33 1xsc h GLY 143 N 1.53 0.16 1.50 -3.84 0.00 -1.35 0.36 103.07 101.43 1xsc h GLY 143 Ca -0.00 0.02 -0.24 0.00 0.00 0.00 0.00 47.33 47.10 1xsc h GLY 143 CO 0.07 -0.03 -0.98 0.84 0.00 0.00 0.00 176.54 176.43 1xsc h HIS 144 N 0.06 0.66 0.26 5.60 -0.00 -1.45 -2.92 115.15 117.36 1xsc h HIS 144 Ca 0.08 -0.37 -0.01 0.00 -0.00 0.00 0.00 60.37 60.06 1xsc h HIS 144 Cb 0.09 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.43 1xsc h HIS 144 CO -0.16 1.20 -0.13 0.37 -0.00 0.00 0.00 177.93 179.22 1xsc h GLN 145 N 0.24 -0.34 0.05 5.26 5.75 -0.88 -1.25 115.11 123.94 1xsc h GLN 145 Ca -0.09 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1xsc h GLN 145 Cb 1.63 0.08 0.00 0.00 1.07 0.00 0.00 27.48 30.26 1xsc h GLN 145 CO 0.17 -0.19 -0.03 0.35 -2.65 0.00 0.00 178.83 176.49 1xsc h PHE 146 N -0.41 -0.07 -0.43 3.99 3.04 -0.39 -2.51 116.94 120.17 1xsc h PHE 146 Ca -0.04 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.00 1xsc h PHE 146 Cb 0.31 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 1xsc h PHE 146 CO -0.04 0.00 0.30 -0.07 -2.02 0.00 0.00 178.31 176.47 1xsc h LEU 147 N -0.12 0.18 -0.07 0.59 3.38 -1.49 0.39 115.31 118.16 1xsc h LEU 147 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xsc h LEU 147 Cb 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1xsc h LEU 147 CO 0.01 0.11 -0.02 0.00 0.09 0.00 0.00 178.44 178.63 1xsc n SER 149 N -1.13 2.68 0.00 0.00 2.88 0.13 -4.98 113.62 113.21 1xsc n SER 149 Ca 0.16 -1.94 0.00 0.00 -1.33 0.00 0.00 58.87 55.77 1xsc n SER 149 Cb 0.22 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1xsc n SER 149 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1xsc n ILE 150 N 0.38 0.00 -0.06 2.46 5.41 -1.03 -5.06 119.36 121.46 1xsc n ILE 150 Ca 0.09 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.78 1xsc n ILE 150 Cb 0.38 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.29 1xsc n ILE 150 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1xsc n GLU 151 N 0.00 0.37 -2.84 0.38 4.07 -1.26 -4.96 120.64 116.40 1xsc n GLU 151 Ca 0.00 0.15 -0.41 0.00 -0.06 0.00 0.00 57.16 56.83 1xsc n GLU 151 Cb 0.00 -1.15 -0.04 0.00 -0.06 0.00 0.00 31.44 30.19 1xsc n GLU 151 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xsc s ALA 152 N -2.89 3.38 0.00 4.31 0.00 -1.26 -5.14 121.76 120.15 1xsc s ALA 152 Ca -0.20 0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1xsc s ALA 152 Cb 0.03 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1xsc s ALA 152 CO 0.30 -0.43 0.00 1.47 0.00 0.00 0.00 175.76 177.10