#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsc s PRO 2 N 0.00 3.20 -0.06 1.61 0.04 -1.26 -4.82 135.00 133.71 1xsc s PRO 2 Ca 0.00 0.82 0.20 0.00 0.04 0.00 0.00 61.00 62.06 1xsc s PRO 2 Cb 0.00 -4.19 -0.31 0.00 0.04 0.00 0.00 34.50 30.04 1xsc s PRO 2 CO 0.00 -2.04 0.38 1.28 0.04 0.00 0.00 177.00 176.66 1xsc n LEU 3 N 10.39 0.00 0.00 -3.56 4.77 -1.26 -5.10 117.00 122.23 1xsc n LEU 3 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1xsc n LEU 3 Cb 0.49 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1xsc n LEU 3 CO 0.70 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 1xsc n GLY 4 N 1.41 -1.79 1.41 -0.72 0.00 -1.26 -4.47 105.19 99.78 1xsc n GLY 4 Ca -0.09 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 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 0.15 3.06 -4.72 1.61 2.88 -1.26 -5.02 113.62 110.32 1xsc n SER 5 Ca 0.00 -3.78 -0.42 0.00 -1.33 0.00 0.00 58.87 53.34 1xsc n SER 5 Cb 0.00 -0.66 -0.03 0.00 -0.75 0.00 0.00 64.21 62.77 1xsc n SER 5 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1xsc s MET 6 N -3.32 4.26 0.41 -1.46 0.00 -1.26 -4.75 119.30 113.17 1xsc s MET 6 Ca 0.48 2.24 0.00 0.00 0.00 0.00 0.00 55.69 58.41 1xsc s MET 6 Cb 0.42 -3.20 0.00 0.00 0.00 0.00 0.00 34.83 32.06 1xsc s MET 6 CO 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 175.02 174.49 1xsc n ALA 7 N 3.98 -2.91 -2.72 4.11 0.00 -1.26 -4.90 120.51 116.82 1xsc n ALA 7 Ca 0.13 0.60 -0.35 0.00 0.00 0.00 0.00 53.44 53.82 1xsc n ALA 7 Cb 0.40 -1.15 -0.09 0.00 0.00 0.00 0.00 19.45 18.62 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 -6.66 3.73 0.01 0.00 1.02 0.25 -4.97 118.68 112.05 1xsc s LEU 8 Ca 0.00 0.20 -0.27 0.00 0.02 0.00 0.00 54.13 54.08 1xsc s LEU 8 Cb 0.00 -1.87 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 1xsc s LEU 8 CO 0.00 0.38 0.85 -0.60 0.02 0.00 0.00 176.35 177.01 1xsc s ARG 9 N -0.94 4.53 0.15 1.70 6.06 -1.26 0.27 118.95 129.46 1xsc s ARG 9 Ca 0.14 1.20 -0.05 0.00 -2.50 0.00 0.00 55.73 54.52 1xsc s ARG 9 Cb -0.11 -3.42 -0.02 0.00 0.06 0.00 0.00 34.95 31.45 1xsc s ARG 9 CO 0.03 0.09 0.18 0.00 -2.50 0.00 0.00 175.30 173.10 1xsc s ALA 10 N 0.57 0.37 -0.24 6.12 0.00 0.27 -2.48 121.76 126.36 1xsc s ALA 10 Ca 0.44 -1.13 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 1xsc s ALA 10 Cb -0.20 0.85 0.10 0.00 0.00 0.00 0.00 23.12 23.86 1xsc s ALA 10 CO 0.24 -0.57 0.54 0.00 0.00 0.00 0.00 175.76 175.97 1xsc s GLY 12 N 2.31 2.56 -0.13 0.00 0.00 0.35 -1.31 107.32 111.10 1xsc s GLY 12 Ca -0.06 -1.30 -0.01 0.00 0.00 0.00 0.00 44.72 43.35 1xsc s GLY 12 CO -0.16 -2.02 -0.04 1.08 0.00 0.00 0.00 173.10 171.96 1xsc s LEU 13 N -4.02 1.22 -0.94 0.66 1.43 -1.11 -3.21 118.68 112.71 1xsc s LEU 13 Ca 0.28 -0.43 -0.22 0.00 -1.03 0.00 0.00 54.13 52.73 1xsc s LEU 13 Cb 0.01 -0.77 0.08 0.00 0.03 0.00 0.00 46.19 45.55 1xsc s LEU 13 CO 0.16 -0.17 1.28 -0.63 0.23 0.00 0.00 176.35 177.22 1xsc s ILE 14 N 1.75 4.26 0.37 -0.59 1.01 0.32 -4.40 121.20 123.90 1xsc s ILE 14 Ca 0.03 -0.99 -0.24 0.00 0.00 0.00 0.00 60.65 59.45 1xsc s ILE 14 Cb -0.14 -4.91 -0.10 0.00 0.01 0.00 0.00 42.46 37.32 1xsc s ILE 14 CO -0.07 -1.73 0.97 -0.63 0.00 0.00 0.00 174.94 173.47 1xsc s ILE 15 N 4.05 4.15 -0.20 2.92 1.01 -1.26 -0.11 121.20 131.77 1xsc s ILE 15 Ca 0.38 1.64 -0.08 0.00 0.00 0.00 0.00 60.65 62.59 1xsc s ILE 15 Cb -0.04 -3.84 0.08 0.00 0.01 0.00 0.00 42.46 38.68 1xsc s ILE 15 CO -0.07 -0.00 0.43 0.72 0.00 0.00 0.00 174.94 176.02 1xsc s PHE 16 N -1.77 -0.77 -0.39 3.97 -0.12 0.84 -1.73 117.98 118.01 1xsc s PHE 16 Ca 0.55 1.51 -0.28 0.00 -0.05 0.00 0.00 56.93 58.65 1xsc s PHE 16 Cb -0.17 0.32 0.02 0.00 -0.63 0.00 0.00 43.02 42.56 1xsc s PHE 16 CO 0.22 -0.45 1.07 0.50 -0.05 0.00 0.00 175.22 176.51 1xsc s ARG 17 N 2.28 3.90 -0.32 1.99 3.00 0.16 -3.60 118.95 126.36 1xsc s ARG 17 Ca -0.04 0.80 -0.17 0.00 -1.00 0.00 0.00 55.73 55.31 1xsc s ARG 17 Cb -0.11 -3.81 -0.01 0.00 0.00 0.00 0.00 34.95 31.02 1xsc s ARG 17 CO -0.13 -1.08 0.48 0.50 0.00 0.00 0.00 175.30 175.06 1xsc s ARG 18 N 3.91 3.75 0.69 5.12 3.52 -1.26 -2.89 118.95 131.78 1xsc s ARG 18 Ca 0.45 -0.08 -0.11 0.00 -0.13 0.00 0.00 55.73 55.86 1xsc s ARG 18 Cb -0.10 -3.76 0.00 0.00 -1.56 0.00 0.00 34.95 29.53 1xsc s ARG 18 CO 0.22 -0.53 1.06 0.00 -0.81 0.00 0.00 175.30 175.24 1xsc n LEU 20 N -3.02 0.21 -4.56 0.00 -0.00 -1.26 -4.86 117.00 103.51 1xsc n LEU 20 Ca 0.08 0.35 -0.31 0.00 -0.00 0.00 0.00 56.01 56.13 1xsc n LEU 20 Cb 0.53 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.85 1xsc n LEU 20 CO 0.55 0.00 -0.42 0.27 -0.00 0.00 0.00 177.39 177.79 1xsc s ILE 21 N -0.70 3.38 0.64 1.47 -5.25 -1.26 -5.13 121.20 114.35 1xsc s ILE 21 Ca 0.00 -1.07 -0.11 0.00 -0.99 0.00 0.00 60.65 58.48 1xsc s ILE 21 Cb 0.00 -2.51 -0.03 0.00 2.95 0.00 0.00 42.46 42.87 1xsc s ILE 21 CO 0.00 0.25 1.04 -2.84 -1.79 0.00 0.00 174.94 171.60 1xsc s PRO 22 N -1.80 3.40 0.00 0.37 0.02 -1.26 -5.04 135.00 130.69 1xsc s PRO 22 Ca 0.19 0.73 0.00 0.00 0.02 0.00 0.00 61.00 61.94 1xsc s PRO 22 Cb -0.11 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.35 1xsc s PRO 22 CO 0.10 -0.71 0.00 1.63 -0.33 0.00 0.00 177.00 177.69 1xsc n LYS 23 N -2.84 0.00 0.00 5.54 4.01 -1.26 -4.89 118.16 118.72 1xsc n LYS 23 Ca 0.06 0.00 0.11 0.00 -0.51 0.00 0.00 58.31 57.97 1xsc n LYS 23 Cb 0.54 0.00 0.07 0.00 -0.51 0.00 0.00 35.03 35.14 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 -1.31 0.00 -2.26 -0.18 0.31 -1.26 -4.96 118.33 108.67 1xsc n VAL 24 Ca 0.00 -0.02 -0.07 0.00 -0.01 0.00 0.00 64.34 64.24 1xsc n VAL 24 Cb 0.00 0.65 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 1xsc n VAL 24 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xsc n ASP 25 N -1.38 -2.76 0.00 4.52 9.92 -1.26 -5.00 116.55 120.58 1xsc n ASP 25 Ca 0.05 -0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 1xsc n ASP 25 Cb 0.34 -1.96 0.00 0.00 -0.64 0.00 0.00 41.12 38.86 1xsc n ASP 25 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1xsc n ASN 26 N 0.57 0.00 -0.01 -2.24 0.23 -1.26 -4.83 115.26 107.72 1xsc n ASN 26 Ca -0.07 0.19 -0.01 0.00 -0.53 0.00 0.00 54.58 54.16 1xsc n ASN 26 Cb 0.55 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.25 1xsc n ASN 26 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1xsc n ASN 27 N -0.20 3.93 0.00 0.53 0.23 -1.26 -5.01 115.26 113.47 1xsc n ASN 27 Ca 0.00 -0.01 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 1xsc n ASN 27 Cb 0.00 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 1xsc n ASN 27 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xsc n ALA 28 N -2.52 0.00 -2.86 -2.53 0.00 -1.26 -4.82 120.51 106.53 1xsc n ALA 28 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 1xsc n ALA 28 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 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 5.00 -0.03 0.00 1.01 -1.26 -3.76 121.20 122.15 1xsc s ILE 29 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1xsc s ILE 29 Cb 0.00 -3.45 0.03 0.00 0.01 0.00 0.00 42.46 39.04 1xsc s ILE 29 CO 0.00 0.09 0.00 -1.61 0.00 0.00 0.00 174.94 173.42 1xsc s GLU 30 N -2.61 0.30 0.19 2.79 2.02 -1.14 -4.35 118.70 115.90 1xsc s GLU 30 Ca 0.33 0.08 -0.09 0.00 0.02 0.00 0.00 54.97 55.30 1xsc s GLU 30 Cb -0.12 -0.49 -0.07 0.00 0.10 0.00 0.00 34.13 33.55 1xsc s GLU 30 CO 0.25 -0.14 0.50 -0.06 0.02 0.00 0.00 175.26 175.84 1xsc s PHE 31 N 1.04 3.47 0.09 1.61 0.08 0.45 0.38 117.98 125.11 1xsc s PHE 31 Ca -0.09 0.83 -0.24 0.00 0.12 0.00 0.00 56.93 57.55 1xsc s PHE 31 Cb -0.13 -2.22 -0.06 0.00 -0.57 0.00 0.00 43.02 40.03 1xsc s PHE 31 CO -0.02 0.34 0.74 -1.17 -0.10 0.00 0.00 175.22 175.02 1xsc s LEU 32 N -2.59 4.51 -0.01 -0.37 2.96 -0.71 -2.10 118.68 120.37 1xsc s LEU 32 Ca 0.44 1.49 0.01 0.00 -0.22 0.00 0.00 54.13 55.84 1xsc s LEU 32 Cb -0.12 -3.21 0.00 0.00 0.50 0.00 0.00 46.19 43.36 1xsc s LEU 32 CO 0.21 0.12 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.57 1xsc s LEU 33 N -0.56 1.87 -0.20 -0.68 1.43 0.34 -4.38 118.68 116.50 1xsc s LEU 33 Ca 0.36 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 1xsc s LEU 33 Cb -0.21 -0.20 0.02 0.00 0.03 0.00 0.00 46.19 45.82 1xsc s LEU 33 CO 0.23 0.02 -0.16 -0.76 0.23 0.00 0.00 176.35 175.92 1xsc s LEU 34 N 0.09 2.42 0.06 1.79 1.43 0.37 0.27 118.68 125.11 1xsc s LEU 34 Ca -0.01 -0.66 -0.27 0.00 -1.03 0.00 0.00 54.13 52.16 1xsc s LEU 34 Cb -0.04 -1.54 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 1xsc s LEU 34 CO -0.00 -0.02 0.86 -1.58 0.23 0.00 0.00 176.35 175.83 1xsc s GLN 35 N 1.32 4.58 0.63 1.70 0.74 0.17 -1.38 119.66 127.41 1xsc s GLN 35 Ca 0.04 1.24 -0.19 0.00 0.05 0.00 0.00 55.36 56.51 1xsc s GLN 35 Cb -0.14 -3.38 -0.02 0.00 1.10 0.00 0.00 33.01 30.57 1xsc s GLN 35 CO -0.10 0.21 1.30 0.00 -0.55 0.00 0.00 175.29 176.14 1xsc s ALA 36 N 0.13 2.46 -1.40 1.58 0.00 -0.60 -2.44 121.76 121.49 1xsc s ALA 36 Ca 0.43 1.22 0.09 0.00 0.00 0.00 0.00 51.96 53.70 1xsc s ALA 36 Cb -0.21 -3.55 0.33 0.00 0.00 0.00 0.00 23.12 19.69 1xsc s ALA 36 CO 0.26 -1.52 1.17 0.43 0.00 0.00 0.00 175.76 176.09 1xsc n SER 37 N -1.74 2.40 -2.68 0.00 7.64 -0.85 -4.47 113.62 113.94 1xsc n SER 37 Ca 0.15 -2.19 -0.01 0.00 1.01 0.00 0.00 58.87 57.83 1xsc n SER 37 Cb 0.48 -0.39 0.01 0.00 -1.01 0.00 0.00 64.21 63.31 1xsc n SER 37 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1xsc n ASP 38 N 0.40 -1.14 0.00 6.43 8.00 -1.26 -4.94 116.55 124.04 1xsc n ASP 38 Ca 0.12 -1.55 0.00 0.00 0.71 0.00 0.00 54.79 54.07 1xsc n ASP 38 Cb 0.46 1.84 0.00 0.00 -0.02 0.00 0.00 41.12 43.40 1xsc n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xsc n GLY 39 N -0.53 2.27 0.07 0.44 0.00 -1.26 -2.20 105.19 103.99 1xsc n GLY 39 Ca -0.01 -0.40 0.16 0.00 0.00 0.00 0.00 46.02 45.77 1xsc n GLY 39 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xsc n ILE 40 N 0.00 0.00 -2.82 -0.61 3.06 -1.26 -4.89 119.36 112.84 1xsc n ILE 40 Ca 0.00 -0.04 -0.22 0.00 -2.50 0.00 0.00 62.75 59.99 1xsc n ILE 40 Cb 0.00 -0.34 0.02 0.00 0.54 0.00 0.00 39.64 39.86 1xsc n ILE 40 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 1xsc n HIS 41 N -0.85 -1.64 -1.13 9.51 8.25 -0.93 -4.94 115.22 123.49 1xsc n HIS 41 Ca 0.22 0.34 -0.33 0.00 -0.26 0.00 0.00 57.72 57.69 1xsc n HIS 41 Cb 0.16 -4.25 0.13 0.00 1.12 0.00 0.00 29.99 27.14 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 -3.12 1.82 -0.16 4.41 -3.43 -1.26 -4.37 115.29 109.18 1xsc s HIS 42 Ca 0.20 1.67 -0.06 0.00 -0.80 0.00 0.00 55.06 56.07 1xsc s HIS 42 Cb -0.09 -3.48 -0.04 0.00 -1.43 0.00 0.00 32.58 27.54 1xsc s HIS 42 CO 0.25 -2.83 0.05 -1.58 -2.00 0.00 0.00 174.74 168.63 1xsc s TRP 43 N -2.16 3.24 0.08 0.38 0.52 -1.25 -1.55 118.94 118.20 1xsc s TRP 43 Ca 0.73 0.08 -0.24 0.00 0.02 0.00 0.00 56.10 56.70 1xsc s TRP 43 Cb -0.28 -2.02 0.06 0.00 -1.15 0.00 0.00 33.47 30.07 1xsc s TRP 43 CO 0.50 0.22 0.57 0.95 0.02 0.00 0.00 176.95 179.21 1xsc s THR 44 N 0.12 0.02 1.04 2.01 -4.23 -0.48 -4.15 115.64 109.97 1xsc s THR 44 Ca 0.04 -0.14 -0.17 0.00 -1.18 0.00 0.00 61.69 60.24 1xsc s THR 44 Cb -0.12 -1.01 0.22 0.00 1.34 0.00 0.00 72.50 72.93 1xsc s THR 44 CO 0.01 -0.08 1.22 -2.16 -0.54 0.00 0.00 174.62 173.07 1xsc s PRO 45 N -2.82 0.05 -0.11 3.99 0.04 -1.26 0.14 135.00 135.03 1xsc s PRO 45 Ca -0.03 -0.20 -0.29 0.00 0.04 0.00 0.00 61.00 60.52 1xsc s PRO 45 Cb -0.00 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.71 1xsc s PRO 45 CO -0.05 -2.84 2.09 -2.14 0.04 0.00 0.00 177.00 174.10 1xsc s PRO 46 N -5.65 3.59 -0.06 0.56 0.02 -1.26 -4.76 135.00 127.45 1xsc s PRO 46 Ca 0.71 2.27 -0.03 0.00 0.02 0.00 0.00 61.00 63.97 1xsc s PRO 46 Cb -0.07 -4.27 -0.04 0.00 0.02 0.00 0.00 34.50 30.14 1xsc s PRO 46 CO 0.54 -1.58 0.08 0.15 -0.33 0.00 0.00 177.00 175.86 1xsc s LYS 47 N 5.47 3.17 0.31 5.54 3.01 -1.26 -2.74 119.74 133.24 1xsc s LYS 47 Ca 0.94 -0.35 0.03 0.00 -1.01 0.00 0.00 55.97 55.58 1xsc s LYS 47 Cb -0.37 -2.95 -0.05 0.00 -1.01 0.00 0.00 37.83 33.46 1xsc s LYS 47 CO 0.38 0.70 0.11 0.20 0.51 0.00 0.00 175.35 177.25 1xsc s GLY 48 N -1.30 2.05 -0.42 -3.33 0.00 -0.43 -4.84 107.32 99.04 1xsc s GLY 48 Ca 0.18 -1.78 0.04 0.00 0.00 0.00 0.00 44.72 43.16 1xsc s GLY 48 CO 0.08 -1.68 0.15 -1.58 0.00 0.00 0.00 173.10 170.07 1xsc s HIS 49 N -3.52 3.35 0.15 1.90 2.46 -1.26 -1.49 115.29 116.88 1xsc s HIS 49 Ca 0.35 -3.01 -0.31 0.00 0.47 0.00 0.00 55.06 52.56 1xsc s HIS 49 Cb 0.06 -2.79 -0.08 0.00 -0.13 0.00 0.00 32.58 29.65 1xsc s HIS 49 CO 0.15 -0.85 1.32 0.54 -2.47 0.00 0.00 174.74 173.44 1xsc s VAL 50 N 0.37 3.36 0.16 0.89 0.11 -1.04 -4.91 120.40 119.34 1xsc s VAL 50 Ca 0.14 1.04 -0.02 0.00 -2.93 0.00 0.00 61.98 60.21 1xsc s VAL 50 Cb -0.22 -3.67 -0.05 0.00 -1.53 0.00 0.00 36.38 30.91 1xsc s VAL 50 CO -0.05 0.12 0.36 -0.70 -3.33 0.00 0.00 175.10 171.50 1xsc s GLU 51 N 0.48 3.54 0.47 1.54 2.12 -1.26 -4.42 118.70 121.15 1xsc s GLU 51 Ca 0.60 -0.28 0.31 0.00 0.36 0.00 0.00 54.97 55.95 1xsc s GLU 51 Cb -0.36 -2.88 1.41 0.00 0.26 0.00 0.00 34.13 32.56 1xsc s GLU 51 CO 0.34 0.46 1.70 -1.00 -0.54 0.00 0.00 175.26 176.22 1xsc h PRO 52 N 2.43 0.14 0.00 4.30 0.13 -1.97 0.98 132.00 138.01 1xsc h PRO 52 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1xsc h PRO 52 Cb 1.18 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1xsc h PRO 52 CO 0.71 0.09 -0.70 0.41 -0.23 0.00 0.00 178.00 178.28 1xsc n GLY 53 N -1.61 -1.17 3.93 1.56 0.00 -1.26 -4.94 105.19 101.70 1xsc n GLY 53 Ca 0.32 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.02 2.50 0.53 1.61 2.12 0.34 -5.08 118.70 117.70 1xsc s GLU 54 Ca 0.09 -0.21 -0.06 0.00 0.36 0.00 0.00 54.97 55.15 1xsc s GLU 54 Cb 0.17 -2.24 -0.02 0.00 0.26 0.00 0.00 34.13 32.30 1xsc s GLU 54 CO 0.76 -0.99 0.85 0.34 -0.54 0.00 0.00 175.26 175.69 1xsc s ASP 55 N -4.43 6.06 -0.02 -1.70 -1.08 -1.26 -4.67 116.67 109.58 1xsc s ASP 55 Ca 0.57 0.94 -0.05 0.00 -0.52 0.00 0.00 52.55 53.49 1xsc s ASP 55 Cb -0.11 -2.12 -0.03 0.00 -1.46 0.00 0.00 42.92 39.20 1xsc s ASP 55 CO 0.44 -0.76 0.39 0.44 0.52 0.00 0.00 175.17 176.21 1xsc h ASP 56 N 0.03 -0.16 -0.76 -0.34 3.45 -1.98 -3.14 116.42 113.52 1xsc h ASP 56 Ca -0.46 0.01 -0.03 0.00 0.43 0.00 0.00 57.03 56.98 1xsc h ASP 56 Cb 1.22 0.04 -0.04 0.00 -0.56 0.00 0.00 39.33 39.99 1xsc h ASP 56 CO 0.61 0.03 0.37 0.25 -1.57 0.00 0.00 179.24 178.94 1xsc h LEU 57 N -0.48 1.01 -0.45 1.55 5.85 -1.98 -2.86 115.31 117.95 1xsc h LEU 57 Ca -0.02 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.67 1xsc h LEU 57 Cb 0.14 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 40.83 1xsc h LEU 57 CO 0.03 0.85 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.53 1xsc h GLU 58 N 1.10 -0.01 -0.96 1.25 5.08 -1.98 1.04 114.58 120.10 1xsc h GLU 58 Ca 0.27 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.75 1xsc h GLU 58 Cb 0.12 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.29 1xsc h GLU 58 CO -0.03 -0.01 0.61 1.15 -1.00 0.00 0.00 179.01 179.73 1xsc h THR 59 N -0.01 0.90 -0.01 1.13 2.02 -1.45 1.35 112.91 116.83 1xsc h THR 59 Ca 0.22 -0.31 -0.16 0.00 0.77 0.00 0.00 66.41 66.93 1xsc h THR 59 Cb 0.34 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 1xsc h THR 59 CO -0.47 0.16 -0.72 0.00 0.37 0.00 0.00 175.52 174.87 1xsc h ALA 60 N 1.56 0.78 0.09 6.16 0.00 -0.54 -1.69 119.26 125.62 1xsc h ALA 60 Ca 0.47 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1xsc h ALA 60 Cb 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xsc h ALA 60 CO -0.24 0.86 -0.04 -0.07 0.00 0.00 0.00 179.25 179.76 1xsc h LEU 61 N 0.06 -0.10 -0.69 0.00 3.38 0.44 -2.77 115.31 115.61 1xsc h LEU 61 Ca -0.01 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1xsc h LEU 61 Cb 1.27 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 1xsc h LEU 61 CO 0.10 0.53 0.44 -0.09 0.09 0.00 0.00 178.44 179.51 1xsc h ARG 62 N -0.83 0.93 -0.45 1.13 9.65 0.15 -1.32 114.38 123.64 1xsc h ARG 62 Ca -0.01 -0.07 0.03 0.00 -1.10 0.00 0.00 59.98 58.83 1xsc h ARG 62 Cb 0.59 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 1xsc h ARG 62 CO 0.02 0.63 0.30 0.00 2.80 0.00 0.00 179.97 183.72 1xsc h ALA 63 N 1.24 1.81 0.38 2.80 0.00 -1.40 0.36 119.26 124.45 1xsc h ALA 63 Ca 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1xsc h ALA 63 Cb -0.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1xsc h ALA 63 CO -0.05 0.14 -0.18 1.15 0.00 0.00 0.00 179.25 180.31 1xsc h THR 64 N 0.50 0.63 0.00 0.00 2.02 -0.95 0.32 112.91 115.43 1xsc h THR 64 Ca 0.18 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1xsc h THR 64 Cb 0.11 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1xsc h THR 64 CO -0.04 0.04 -0.07 0.06 0.37 0.00 0.00 175.52 175.88 1xsc h GLN 65 N -0.63 0.00 0.17 6.66 3.07 -0.00 1.04 115.11 125.42 1xsc h GLN 65 Ca -0.05 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.44 1xsc h GLN 65 Cb 0.46 0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.05 1xsc h GLN 65 CO 0.09 0.07 -1.06 0.93 0.09 0.00 0.00 178.83 178.94 1xsc h GLU 66 N 0.00 0.42 -0.34 0.06 4.39 -0.00 0.17 114.58 119.27 1xsc h GLU 66 Ca -0.00 -0.68 0.00 0.00 0.34 0.00 0.00 59.36 59.02 1xsc h GLU 66 Cb 0.63 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1xsc h GLU 66 CO 0.01 1.32 0.00 0.39 -1.16 0.00 0.00 179.01 179.57 1xsc n GLU 67 N -3.97 2.27 0.00 2.33 1.02 0.11 -4.49 120.64 117.92 1xsc n GLU 67 Ca -0.15 -2.05 0.00 0.00 -0.02 0.00 0.00 57.16 54.95 1xsc n GLU 67 Cb 0.93 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.96 1xsc n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xsc n ALA 68 N 1.05 0.00 -0.79 0.62 0.00 0.35 -4.09 120.51 117.65 1xsc n ALA 68 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1xsc n ALA 68 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 0.52 3.51 0.00 0.00 0.59 -0.82 105.19 108.99 1xsc n GLY 69 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.53 4.63 0.41 -0.61 1.01 -1.21 -4.74 121.20 118.16 1xsc s ILE 70 Ca 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.66 1xsc s ILE 70 Cb 0.00 -3.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.29 1xsc s ILE 70 CO 0.00 0.33 0.42 -1.83 0.00 0.00 0.00 174.94 173.86 1xsc s GLU 71 N 1.47 2.64 0.58 2.79 1.03 -1.26 -0.08 118.70 125.87 1xsc s GLU 71 Ca 0.06 -1.42 0.29 0.00 0.03 0.00 0.00 54.97 53.92 1xsc s GLU 71 Cb -0.15 -2.49 1.48 0.00 -0.80 0.00 0.00 34.13 32.16 1xsc s GLU 71 CO 0.05 -0.18 1.91 0.00 -1.33 0.00 0.00 175.26 175.72 1xsc h ALA 72 N 0.95 2.28 0.00 -0.84 0.00 -1.88 1.09 119.26 120.85 1xsc h ALA 72 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1xsc h ALA 72 Cb 1.27 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1xsc h ALA 72 CO 0.54 -0.74 0.00 0.41 0.00 0.00 0.00 179.25 179.46 1xsc n GLY 73 N -1.54 -1.31 0.00 0.00 0.00 -1.26 -2.97 105.19 98.11 1xsc n GLY 73 Ca 0.09 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1xsc n GLY 73 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1xsc n GLN 74 N -1.68 1.64 -2.03 1.61 -0.06 0.36 -5.01 117.38 112.22 1xsc n GLN 74 Ca 0.05 -0.06 -0.01 0.00 -2.00 0.00 0.00 57.00 54.99 1xsc n GLN 74 Cb 0.27 -1.14 -0.00 0.00 -4.06 0.00 0.00 30.24 25.31 1xsc n GLN 74 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1xsc n LEU 75 N -1.61 0.00 -3.64 1.69 -0.00 -0.47 0.14 117.00 113.10 1xsc n LEU 75 Ca -0.00 -0.06 -0.29 0.00 -0.00 0.00 0.00 56.01 55.66 1xsc n LEU 75 Cb 0.22 0.01 -0.15 0.00 -0.00 0.00 0.00 43.42 43.50 1xsc n LEU 75 CO 0.21 -0.02 -0.34 -0.89 -0.00 0.00 0.00 177.39 176.36 1xsc s THR 76 N -0.99 0.35 -0.06 1.47 2.01 0.19 -4.77 115.64 113.84 1xsc s THR 76 Ca 0.00 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 60.78 1xsc s THR 76 Cb -0.00 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 1xsc s THR 76 CO 0.00 -0.61 1.27 -0.63 -0.69 0.00 0.00 174.62 173.96 1xsc s ILE 77 N 1.90 4.12 0.04 1.82 -1.09 -1.26 -1.42 121.20 125.30 1xsc s ILE 77 Ca 0.07 1.44 -0.22 0.00 -2.23 0.00 0.00 60.65 59.71 1xsc s ILE 77 Cb -0.17 -3.93 -0.06 0.00 -1.58 0.00 0.00 42.46 36.73 1xsc s ILE 77 CO -0.27 -0.02 0.67 -0.63 -1.23 0.00 0.00 174.94 173.46 1xsc s ILE 78 N 2.49 4.76 0.09 2.92 1.09 0.21 -4.98 121.20 127.79 1xsc s ILE 78 Ca 0.58 1.43 -0.05 0.00 -1.10 0.00 0.00 60.65 61.50 1xsc s ILE 78 Cb -0.26 -4.01 -0.05 0.00 -1.06 0.00 0.00 42.46 37.07 1xsc s ILE 78 CO 0.22 0.43 0.33 -1.61 -0.10 0.00 0.00 174.94 174.21 1xsc s GLU 79 N -0.37 3.61 0.00 2.79 2.02 -1.26 -4.35 118.70 121.14 1xsc s GLU 79 Ca 0.34 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.25 1xsc s GLU 79 Cb -0.20 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 31.08 1xsc s GLU 79 CO 0.20 0.54 0.00 0.41 0.02 0.00 0.00 175.26 176.44 1xsc n GLY 80 N 0.50 2.31 3.65 -1.39 0.00 -1.26 -5.05 105.19 103.96 1xsc n GLY 80 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.45 3.28 -0.25 1.61 2.19 -1.26 -5.08 117.98 116.02 1xsc s PHE 81 Ca 0.00 0.12 -0.14 0.00 0.33 0.00 0.00 56.93 57.25 1xsc s PHE 81 Cb 0.00 -2.10 0.08 0.00 -1.31 0.00 0.00 43.02 39.69 1xsc s PHE 81 CO 0.00 0.18 0.61 0.21 1.83 0.00 0.00 175.22 178.04 1xsc s LYS 82 N 0.38 0.61 -0.13 10.12 2.20 -1.26 -4.70 119.74 126.96 1xsc s LYS 82 Ca 0.04 1.12 -0.10 0.00 -0.36 0.00 0.00 55.97 56.68 1xsc s LYS 82 Cb -0.12 0.15 0.04 0.00 -1.51 0.00 0.00 37.83 36.39 1xsc s LYS 82 CO -0.00 -0.16 0.33 1.03 -0.36 0.00 0.00 175.35 176.19 1xsc s ARG 83 N 1.69 0.35 -0.11 4.03 1.81 -1.23 -5.01 118.95 120.49 1xsc s ARG 83 Ca -0.09 0.54 0.03 0.00 -1.72 0.00 0.00 55.73 54.49 1xsc s ARG 83 Cb -0.07 0.08 0.01 0.00 -0.45 0.00 0.00 34.95 34.53 1xsc s ARG 83 CO -0.18 -0.09 -0.20 -1.83 -0.68 0.00 0.00 175.30 172.32 1xsc s GLU 84 N 0.64 2.68 -0.25 3.54 1.03 -1.25 0.74 118.70 125.83 1xsc s GLU 84 Ca -0.04 -0.74 -0.18 0.00 0.03 0.00 0.00 54.97 54.04 1xsc s GLU 84 Cb -0.05 -2.12 -0.03 0.00 -0.80 0.00 0.00 34.13 31.13 1xsc s GLU 84 CO -0.04 0.06 0.53 -0.51 -1.33 0.00 0.00 175.26 173.97 1xsc s LEU 85 N 0.64 4.07 -0.20 1.83 1.43 0.26 -4.74 118.68 121.97 1xsc s LEU 85 Ca -0.13 0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 53.50 1xsc s LEU 85 Cb -0.16 -2.70 -0.02 0.00 0.03 0.00 0.00 46.19 43.34 1xsc s LEU 85 CO 0.03 -0.28 -0.02 0.20 0.23 0.00 0.00 176.35 176.51 1xsc s ASN 86 N 1.47 4.63 -0.22 2.29 0.01 -1.26 -0.57 114.94 121.30 1xsc s ASN 86 Ca 0.22 -0.25 -0.27 0.00 -0.71 0.00 0.00 52.86 51.85 1xsc s ASN 86 Cb -0.16 -1.78 0.11 0.00 0.41 0.00 0.00 41.25 39.84 1xsc s ASN 86 CO 0.09 0.06 0.96 -0.72 -1.51 0.00 0.00 177.10 175.98 1xsc s TYR 87 N 1.00 -0.48 -0.49 2.20 -0.85 -1.23 -4.94 117.35 112.55 1xsc s TYR 87 Ca 0.01 1.04 -0.25 0.00 -0.52 0.00 0.00 57.07 57.35 1xsc s TYR 87 Cb -0.14 0.39 0.03 0.00 0.38 0.00 0.00 41.96 42.61 1xsc s TYR 87 CO 0.01 -0.32 0.94 0.54 -1.52 0.00 0.00 175.55 175.21 1xsc s VAL 88 N -0.34 4.43 0.00 -3.49 0.11 -1.26 -1.01 120.40 118.84 1xsc s VAL 88 Ca -0.00 0.64 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 1xsc s VAL 88 Cb -0.03 -4.47 0.00 0.00 -1.53 0.00 0.00 36.38 30.35 1xsc s VAL 88 CO -0.01 -0.92 0.00 0.00 -3.33 0.00 0.00 175.10 170.83 1xsc n ALA 89 N 7.29 0.00 0.03 1.54 0.00 -1.15 -4.73 120.51 123.50 1xsc n ALA 89 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 1xsc n ALA 89 Cb 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.01 0.00 0.00 0.11 -2.04 -3.43 114.38 109.02 1xsc h ARG 90 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 1xsc h ARG 90 Cb 0.00 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.05 1xsc h ARG 90 CO 0.00 0.11 -0.07 -1.71 0.10 0.00 0.00 179.97 178.40 1xsc n ASN 91 N -5.04 -0.24 -3.64 0.08 4.05 -1.26 -5.14 115.26 104.07 1xsc n ASN 91 Ca -0.07 -0.48 -0.06 0.00 0.45 0.00 0.00 54.58 54.41 1xsc n ASN 91 Cb 0.09 0.07 -0.07 0.00 1.23 0.00 0.00 39.78 41.10 1xsc n ASN 91 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1xsc s LYS 92 N 0.00 0.66 -0.13 1.20 2.47 -1.26 -5.09 119.74 117.58 1xsc s LYS 92 Ca 0.00 1.12 -0.29 0.00 -1.56 0.00 0.00 55.97 55.23 1xsc s LYS 92 Cb 0.00 0.14 -0.04 0.00 -1.46 0.00 0.00 37.83 36.47 1xsc s LYS 92 CO 0.00 -0.14 1.63 -1.25 0.16 0.00 0.00 175.35 175.75 1xsc s PRO 93 N 1.53 4.01 -0.31 4.03 0.04 -1.26 -2.92 135.00 140.12 1xsc s PRO 93 Ca -0.09 1.95 -0.11 0.00 0.04 0.00 0.00 61.00 62.78 1xsc s PRO 93 Cb -0.05 -4.00 -0.03 0.00 0.04 0.00 0.00 34.50 30.46 1xsc s PRO 93 CO -0.18 -1.04 0.20 0.15 0.04 0.00 0.00 177.00 176.16 1xsc s LYS 94 N 4.31 3.65 -0.41 4.56 -0.14 -0.18 0.85 119.74 132.37 1xsc s LYS 94 Ca 0.72 -0.53 -0.28 0.00 -1.36 0.00 0.00 55.97 54.52 1xsc s LYS 94 Cb -0.29 -3.69 0.02 0.00 -1.68 0.00 0.00 37.83 32.19 1xsc s LYS 94 CO 0.29 -0.33 1.08 0.99 -0.76 0.00 0.00 175.35 176.62 1xsc s THR 95 N 1.71 4.36 -0.35 2.17 2.01 0.14 -3.56 115.64 122.13 1xsc s THR 95 Ca 0.06 1.36 -0.06 0.00 0.31 0.00 0.00 61.69 63.36 1xsc s THR 95 Cb -0.17 -4.51 0.05 0.00 0.01 0.00 0.00 72.50 67.89 1xsc s THR 95 CO 0.10 -0.78 0.11 -0.69 -0.69 0.00 0.00 174.62 172.67 1xsc s VAL 96 N 4.06 3.65 -0.06 3.82 1.01 0.26 0.94 120.40 134.08 1xsc s VAL 96 Ca 0.45 -1.29 -0.24 0.00 0.00 0.00 0.00 61.98 60.90 1xsc s VAL 96 Cb -0.09 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1xsc s VAL 96 CO 0.25 -0.25 0.72 -0.63 0.00 0.00 0.00 175.10 175.19 1xsc s ILE 97 N 1.35 5.02 -0.13 2.22 -1.09 -1.05 0.89 121.20 128.41 1xsc s ILE 97 Ca -0.01 1.50 0.01 0.00 -2.23 0.00 0.00 60.65 59.92 1xsc s ILE 97 Cb -0.20 -4.06 -0.01 0.00 -1.58 0.00 0.00 42.46 36.60 1xsc s ILE 97 CO 0.01 0.25 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.51 1xsc s TYR 98 N 0.77 2.77 0.07 3.97 2.02 0.23 0.13 117.35 127.30 1xsc s TYR 98 Ca 0.39 -0.80 0.08 0.00 -0.37 0.00 0.00 57.07 56.36 1xsc s TYR 98 Cb -0.18 -1.84 -0.03 0.00 -0.40 0.00 0.00 41.96 39.51 1xsc s TYR 98 CO 0.19 -0.31 -0.18 -1.58 -1.57 0.00 0.00 175.55 172.10 1xsc s TRP 99 N 0.47 2.54 -0.38 2.71 0.51 -1.20 -3.48 118.94 120.12 1xsc s TRP 99 Ca -0.11 -0.26 -0.26 0.00 -2.12 0.00 0.00 56.10 53.34 1xsc s TRP 99 Cb -0.16 -1.42 0.02 0.00 -0.81 0.00 0.00 33.47 31.10 1xsc s TRP 99 CO 0.05 0.30 0.95 -0.51 -0.51 0.00 0.00 176.95 177.23 1xsc s LEU 100 N -1.68 3.97 0.08 2.99 1.43 -1.26 0.12 118.68 124.33 1xsc s LEU 100 Ca 0.16 0.59 0.09 0.00 -1.03 0.00 0.00 54.13 53.94 1xsc s LEU 100 Cb -0.10 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 1xsc s LEU 100 CO 0.07 -0.90 -0.25 0.00 0.23 0.00 0.00 176.35 175.50 1xsc s ALA 101 N 3.58 2.14 -0.20 4.21 0.00 0.84 0.68 121.76 133.00 1xsc s ALA 101 Ca 0.39 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 51.07 1xsc s ALA 101 Cb -0.11 -0.39 0.04 0.00 0.00 0.00 0.00 23.12 22.66 1xsc s ALA 101 CO 0.20 0.49 -0.12 -2.00 0.00 0.00 0.00 175.76 174.32 1xsc s GLU 102 N -1.58 2.25 -0.08 0.00 -6.30 -0.51 0.29 118.70 112.78 1xsc s GLU 102 Ca 0.11 -0.88 -0.30 0.00 -2.50 0.00 0.00 54.97 51.40 1xsc s GLU 102 Cb -0.10 -2.48 -0.03 0.00 0.00 0.00 0.00 34.13 31.52 1xsc s GLU 102 CO 0.04 -0.39 1.32 0.14 0.02 0.00 0.00 175.26 176.38 1xsc s VAL 103 N 1.35 4.05 0.58 3.70 -7.23 -1.24 0.52 120.40 122.13 1xsc s VAL 103 Ca -0.01 1.35 0.27 0.00 -1.81 0.00 0.00 61.98 61.78 1xsc s VAL 103 Cb -0.16 -3.87 0.34 0.00 0.56 0.00 0.00 36.38 33.25 1xsc s VAL 103 CO -0.09 -0.05 2.23 0.11 -0.31 0.00 0.00 175.10 176.99 1xsc h LYS 104 N 8.01 0.00 -5.14 4.82 1.57 -0.62 -3.41 116.57 121.80 1xsc h LYS 104 Ca -0.33 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.81 1xsc h LYS 104 Cb 1.15 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.26 1xsc h LYS 104 CO 0.92 0.00 -0.61 0.34 -0.57 0.00 0.00 179.45 179.53 1xsc s ASP 105 N -6.35 5.25 0.20 0.86 3.68 -1.26 -4.98 116.67 114.06 1xsc s ASP 105 Ca -0.05 -0.08 -0.09 0.00 2.13 0.00 0.00 52.55 54.45 1xsc s ASP 105 Cb 0.16 -1.91 0.13 0.00 -1.45 0.00 0.00 42.92 39.85 1xsc s ASP 105 CO 0.57 0.08 1.77 0.22 0.13 0.00 0.00 175.17 177.95 1xsc h TYR 106 N 7.36 1.10 -0.75 -5.34 5.03 -1.99 -1.42 116.97 120.94 1xsc h TYR 106 Ca -0.36 -0.07 -0.21 0.00 2.58 0.00 0.00 58.73 60.66 1xsc h TYR 106 Cb 1.18 -0.33 -0.13 0.00 1.55 0.00 0.00 36.73 39.00 1xsc h TYR 106 CO 0.60 0.83 0.27 -0.25 -1.32 0.00 0.00 178.16 178.29 1xsc n ASP 107 N -4.36 4.94 -4.22 -2.11 8.00 -1.26 -5.02 116.55 112.52 1xsc n ASP 107 Ca 0.06 -3.22 -0.38 0.00 0.71 0.00 0.00 54.79 51.96 1xsc n ASP 107 Cb 0.16 -0.75 0.02 0.00 -0.02 0.00 0.00 41.12 40.53 1xsc n ASP 107 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1xsc n VAL 108 N -0.11 0.18 -1.88 2.53 3.14 -0.54 -4.82 118.33 116.84 1xsc n VAL 108 Ca 0.41 -0.50 -0.41 0.00 -2.96 0.00 0.00 64.34 60.89 1xsc n VAL 108 Cb 1.40 -0.07 -0.01 0.00 -1.06 0.00 0.00 33.84 34.11 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 -1.32 4.17 -0.38 1.45 1.03 -1.26 -4.99 118.70 117.40 1xsc s GLU 109 Ca 0.55 2.48 0.02 0.00 0.03 0.00 0.00 54.97 58.05 1xsc s GLU 109 Cb -0.43 -3.00 0.11 0.00 -0.80 0.00 0.00 34.13 30.01 1xsc s GLU 109 CO 0.68 -0.45 0.12 0.42 -1.33 0.00 0.00 175.26 174.71 1xsc s ILE 110 N -1.08 1.84 -0.53 1.83 -1.09 -1.23 -4.19 121.20 116.75 1xsc s ILE 110 Ca 0.52 -2.29 -0.14 0.00 -2.23 0.00 0.00 60.65 56.51 1xsc s ILE 110 Cb -0.45 -2.34 0.13 0.00 -1.58 0.00 0.00 42.46 38.22 1xsc s ILE 110 CO 0.60 -0.69 0.47 -0.13 -1.23 0.00 0.00 174.94 173.96 1xsc s ARG 111 N 0.82 2.89 0.40 2.79 3.00 0.00 -4.86 118.95 123.99 1xsc s ARG 111 Ca 0.13 -1.75 -0.01 0.00 0.00 0.00 0.00 55.73 54.10 1xsc s ARG 111 Cb -0.20 -4.22 -0.03 0.00 0.00 0.00 0.00 34.95 30.50 1xsc s ARG 111 CO -0.10 -1.30 0.62 -0.51 0.00 0.00 0.00 175.30 174.01 1xsc s LEU 112 N 1.50 3.85 0.00 2.53 1.43 -1.26 -0.56 118.68 126.17 1xsc s LEU 112 Ca 0.04 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 1xsc s LEU 112 Cb -0.29 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1xsc s LEU 112 CO 0.02 -0.45 0.00 -1.20 0.23 0.00 0.00 176.35 174.94 1xsc n SER 113 N -1.95 1.36 0.12 2.29 7.64 -1.25 -4.96 113.62 116.87 1xsc n SER 113 Ca -0.02 -0.92 0.10 0.00 1.01 0.00 0.00 58.87 59.04 1xsc n SER 113 Cb 0.56 0.00 0.47 0.00 -1.01 0.00 0.00 64.21 64.24 1xsc n SER 113 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1xsc n HIS 114 N -0.30 0.66 0.25 1.43 8.25 -1.26 -1.54 115.22 122.71 1xsc n HIS 114 Ca 0.00 0.29 0.12 0.00 -0.26 0.00 0.00 57.72 57.87 1xsc n HIS 114 Cb 0.00 -0.96 0.12 0.00 1.12 0.00 0.00 29.99 30.27 1xsc n HIS 114 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1xsc h GLU 115 N 0.00 0.00 -3.56 -0.41 4.11 -1.95 -3.41 114.58 109.36 1xsc h GLU 115 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.91 1xsc h GLU 115 Cb 0.21 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.06 1xsc h GLU 115 CO 0.00 0.00 -0.76 -1.01 0.07 0.00 0.00 179.01 177.31 1xsc s HIS 116 N -3.26 1.08 -2.35 2.06 3.76 -0.59 -2.00 115.29 113.98 1xsc s HIS 116 Ca 0.04 -0.91 0.25 0.00 -0.15 0.00 0.00 55.06 54.29 1xsc s HIS 116 Cb 0.08 -1.06 0.96 0.00 1.11 0.00 0.00 32.58 33.67 1xsc s HIS 116 CO 0.72 -0.62 1.68 0.00 -0.85 0.00 0.00 174.74 175.66 1xsc n GLN 117 N 5.04 1.64 -3.56 1.40 10.64 -1.02 -3.76 117.38 127.75 1xsc n GLN 117 Ca -0.09 -0.94 -0.06 0.00 -1.83 0.00 0.00 57.00 54.08 1xsc n GLN 117 Cb 0.47 -1.43 -0.02 0.00 -0.86 0.00 0.00 30.24 28.39 1xsc n GLN 117 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xsc s ALA 118 N -1.90 -1.94 0.24 2.61 0.00 -1.25 -5.03 121.76 114.49 1xsc s ALA 118 Ca 0.35 1.24 0.02 0.00 0.00 0.00 0.00 51.96 53.57 1xsc s ALA 118 Cb 0.19 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 1xsc s ALA 118 CO 0.30 -0.67 0.18 1.52 0.00 0.00 0.00 175.76 177.09 1xsc s TYR 119 N -2.79 1.35 0.08 0.00 1.13 -1.26 0.42 117.35 116.27 1xsc s TYR 119 Ca 0.07 -1.47 -0.22 0.00 -1.41 0.00 0.00 57.07 54.04 1xsc s TYR 119 Cb -0.01 -0.60 0.06 0.00 -1.10 0.00 0.00 41.96 40.30 1xsc s TYR 119 CO -0.07 -0.72 0.54 1.03 -2.51 0.00 0.00 175.55 173.82 1xsc s ARG 120 N -3.92 1.10 -0.27 -3.49 0.52 0.14 -4.91 118.95 108.11 1xsc s ARG 120 Ca 0.39 -0.31 0.02 0.00 -0.52 0.00 0.00 55.73 55.31 1xsc s ARG 120 Cb 0.05 0.50 0.07 0.00 0.52 0.00 0.00 34.95 36.10 1xsc s ARG 120 CO 0.17 -0.42 -0.04 -1.58 0.02 0.00 0.00 175.30 173.45 1xsc s TRP 121 N -2.83 3.04 0.24 -0.53 0.52 -1.26 -0.51 118.94 117.60 1xsc s TRP 121 Ca -0.03 -2.28 0.01 0.00 0.02 0.00 0.00 56.10 53.82 1xsc s TRP 121 Cb -0.00 -2.04 -0.04 0.00 -1.15 0.00 0.00 33.47 30.23 1xsc s TRP 121 CO -0.05 -0.87 0.16 -0.51 0.02 0.00 0.00 176.95 175.71 1xsc s LEU 122 N 1.17 1.34 0.00 2.99 1.02 -0.89 -4.87 118.68 119.43 1xsc s LEU 122 Ca -0.02 -1.47 0.00 0.00 0.02 0.00 0.00 54.13 52.65 1xsc s LEU 122 Cb -0.19 0.38 0.00 0.00 0.02 0.00 0.00 46.19 46.40 1xsc s LEU 122 CO -0.07 -0.88 0.00 0.61 0.02 0.00 0.00 176.35 176.03 1xsc n GLY 123 N -0.37 -0.04 0.17 -3.19 0.00 -1.26 0.17 105.19 100.66 1xsc n GLY 123 Ca 0.03 -1.53 -0.20 0.00 0.00 0.00 0.00 46.02 44.33 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 0.75 0.03 0.99 5.85 -1.91 -1.07 115.31 119.94 1xsc h LEU 124 Ca 0.00 -0.77 -0.00 0.00 0.84 0.00 0.00 57.88 57.95 1xsc h LEU 124 Cb 0.00 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.80 1xsc h LEU 124 CO 0.00 1.43 -0.01 1.05 -0.34 0.00 0.00 178.44 180.56 1xsc h GLU 125 N 0.15 -0.04 -0.17 1.25 4.11 -1.97 0.19 114.58 118.11 1xsc h GLU 125 Ca -0.12 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.16 1xsc h GLU 125 Cb 1.59 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.85 1xsc h GLU 125 CO 0.18 0.03 -0.48 0.93 0.07 0.00 0.00 179.01 179.74 1xsc h GLU 126 N -0.10 0.62 -0.10 1.06 3.07 -1.92 0.37 114.58 117.58 1xsc h GLU 126 Ca -0.00 -0.45 0.01 0.00 -0.50 0.00 0.00 59.36 58.42 1xsc h GLU 126 Cb 0.09 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1xsc h GLU 126 CO 0.01 1.07 0.07 0.00 -1.40 0.00 0.00 179.01 178.75 1xsc h ALA 127 N 0.56 2.00 0.13 3.43 0.00 -1.14 -0.25 119.26 123.99 1xsc h ALA 127 Ca -0.01 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 1xsc h ALA 127 Cb 1.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1xsc h ALA 127 CO 0.10 -0.01 -1.42 0.00 0.00 0.00 0.00 179.25 177.92 1xsc h GLN 129 N 0.08 0.87 0.06 0.00 -0.00 0.11 -3.02 115.11 113.20 1xsc h GLN 129 Ca -0.20 -0.09 -0.16 0.00 -0.00 0.00 0.00 58.65 58.19 1xsc h GLN 129 Cb 2.01 -0.17 0.02 0.00 -0.00 0.00 0.00 27.48 29.33 1xsc h GLN 129 CO 0.18 0.65 -0.65 -0.07 -0.00 0.00 0.00 178.83 178.94 1xsc h LEU 130 N 0.86 0.47 -4.66 0.06 3.38 -1.21 -3.32 115.31 110.89 1xsc h LEU 130 Ca 0.22 -0.84 -0.46 0.00 0.09 0.00 0.00 57.88 56.89 1xsc h LEU 130 Cb 0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1xsc h LEU 130 CO -0.04 1.27 2.14 0.00 0.09 0.00 0.00 178.44 181.90 1xsc n ALA 131 N -2.62 6.81 -0.49 1.53 0.00 -0.67 -3.87 120.51 121.20 1xsc n ALA 131 Ca -0.12 -2.72 0.41 0.00 0.00 0.00 0.00 53.44 51.01 1xsc n ALA 131 Cb 0.72 -2.94 0.67 0.00 0.00 0.00 0.00 19.45 17.90 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 3.21 -0.03 -1.58 0.00 10.64 -1.19 -3.87 117.38 124.56 1xsc n GLN 132 Ca 0.62 1.17 -0.50 0.00 -1.83 0.00 0.00 57.00 56.46 1xsc n GLN 132 Cb 0.47 -2.36 -0.06 0.00 -0.86 0.00 0.00 30.24 27.43 1xsc n GLN 132 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1xsc n PHE 133 N -4.47 1.97 -0.25 2.61 3.01 -1.26 -4.83 117.46 114.24 1xsc n PHE 133 Ca 0.39 0.15 0.01 0.00 1.01 0.00 0.00 57.45 59.01 1xsc n PHE 133 Cb 1.58 -2.60 0.08 0.00 -0.01 0.00 0.00 39.48 38.53 1xsc n PHE 133 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1xsc h LYS 134 N 11.00 -0.01 -0.46 -1.08 3.64 -1.97 -0.58 116.57 127.10 1xsc h LYS 134 Ca -0.39 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.08 1xsc h LYS 134 Cb 1.29 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 33.01 1xsc h LYS 134 CO 0.98 -0.00 -0.27 0.93 -2.27 0.00 0.00 179.45 178.81 1xsc h GLU 135 N -0.01 -0.17 -0.24 1.90 3.07 -1.90 -1.44 114.58 115.80 1xsc h GLU 135 Ca 0.35 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.21 1xsc h GLU 135 Cb 0.54 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 1xsc h GLU 135 CO -0.75 -0.11 0.12 0.52 -1.40 0.00 0.00 179.01 177.39 1xsc h MET 136 N -0.17 0.34 -0.99 2.33 2.86 -1.41 -1.53 114.93 116.37 1xsc h MET 136 Ca 0.21 -0.05 0.22 0.00 -2.06 0.00 0.00 59.70 58.02 1xsc h MET 136 Cb 0.51 -0.06 -0.12 0.00 0.06 0.00 0.00 31.60 31.99 1xsc h MET 136 CO -0.57 0.34 0.57 0.87 1.06 0.00 0.00 176.91 179.18 1xsc h LYS 137 N 0.27 0.61 -0.08 1.72 6.56 -0.53 0.65 116.57 125.76 1xsc h LYS 137 Ca 0.08 -0.04 -0.04 0.00 -1.06 0.00 0.00 60.65 59.60 1xsc h LYS 137 Cb 0.10 -0.14 -0.00 0.00 -0.57 0.00 0.00 32.23 31.62 1xsc h LYS 137 CO -0.01 0.40 -0.09 0.00 -2.06 0.00 0.00 179.45 177.69 1xsc h ALA 138 N 1.69 0.12 -0.74 3.86 0.00 -0.87 0.37 119.26 123.70 1xsc h ALA 138 Ca 0.61 -0.29 0.13 0.00 0.00 0.00 0.00 54.91 55.36 1xsc h ALA 138 Cb 1.08 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 1xsc h ALA 138 CO -0.45 -0.05 0.31 0.00 0.00 0.00 0.00 179.25 179.06 1xsc h ALA 139 N 0.56 1.04 0.00 0.00 0.00 -0.05 0.51 119.26 121.32 1xsc h ALA 139 Ca 0.01 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1xsc h ALA 139 Cb 0.60 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1xsc h ALA 139 CO 0.02 -0.18 -0.62 -0.07 0.00 0.00 0.00 179.25 178.40 1xsc h LEU 140 N 0.47 0.00 0.15 0.00 3.38 -0.91 -1.72 115.31 116.68 1xsc h LEU 140 Ca 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 1xsc h LEU 140 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1xsc h LEU 140 CO -0.38 0.62 -0.07 1.56 0.09 0.00 0.00 178.44 180.26 1xsc h GLN 141 N 0.00 -0.19 0.00 1.13 1.08 0.33 -2.68 115.11 114.78 1xsc h GLN 141 Ca -0.01 0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 57.09 1xsc h GLN 141 Cb 1.32 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.78 1xsc h GLN 141 CO 0.08 0.17 -0.57 0.93 -0.95 0.00 0.00 178.83 178.49 1xsc h GLU 142 N -0.59 0.00 -0.92 1.46 5.08 -0.26 -2.46 114.58 116.88 1xsc h GLU 142 Ca -0.02 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1xsc h GLU 142 Cb 0.45 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 1xsc h GLU 142 CO 0.03 0.57 0.60 0.78 -1.00 0.00 0.00 179.01 179.99 1xsc h GLY 143 N 1.98 1.30 2.00 -3.84 0.00 -1.29 0.36 103.07 103.59 1xsc h GLY 143 Ca -0.01 -0.50 -0.15 0.00 0.00 0.00 0.00 47.33 46.68 1xsc h GLY 143 CO 0.07 0.49 -0.70 0.84 0.00 0.00 0.00 176.54 177.24 1xsc h HIS 144 N 1.25 0.00 0.08 5.60 -0.00 -1.39 -2.99 115.15 117.70 1xsc h HIS 144 Ca 0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.70 1xsc h HIS 144 Cb -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.29 1xsc h HIS 144 CO -0.00 0.70 -0.04 0.37 -0.00 0.00 0.00 177.93 178.96 1xsc h GLN 145 N 0.00 -0.11 0.16 5.26 5.75 -0.88 -2.81 115.11 122.48 1xsc h GLN 145 Ca -0.01 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1xsc h GLN 145 Cb 1.49 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 30.06 1xsc h GLN 145 CO 0.09 0.43 -0.12 0.35 -2.65 0.00 0.00 178.83 176.94 1xsc h PHE 146 N -0.78 -0.31 -0.81 3.99 3.04 -0.43 -2.57 116.94 119.07 1xsc h PHE 146 Ca -0.01 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.05 1xsc h PHE 146 Cb 0.59 0.11 -0.08 0.00 2.56 0.00 0.00 35.95 39.13 1xsc h PHE 146 CO 0.12 -0.19 0.43 -0.07 -2.02 0.00 0.00 178.31 176.59 1xsc h LEU 147 N -0.29 0.57 -0.61 0.59 3.38 -1.65 0.52 115.31 117.82 1xsc h LEU 147 Ca -0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xsc h LEU 147 Cb 0.25 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1xsc h LEU 147 CO -0.00 0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.83 1xsc n SER 149 N -1.98 0.63 0.00 0.00 2.88 0.18 -4.88 113.62 110.45 1xsc n SER 149 Ca 0.01 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1xsc n SER 149 Cb 0.14 0.69 0.00 0.00 -0.75 0.00 0.00 64.21 64.30 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 -2.12 0.00 0.01 2.46 5.41 -0.54 -5.10 119.36 119.49 1xsc n ILE 150 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1xsc n ILE 150 Cb 0.46 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.39 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 0.00 0.00 0.38 2.13 -1.26 -5.03 120.64 116.86 1xsc n GLU 151 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xsc n GLU 151 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1xsc n GLU 151 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xsc n ALA 152 N -2.46 0.00 1.58 4.31 0.00 -1.26 -5.13 120.51 117.55 1xsc n ALA 152 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1xsc n ALA 152 Cb 0.00 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.04 1xsc n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78