#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 2.82 -0.34 1.61 0.04 -1.26 -4.17 135.00 133.70 1xsc s PRO 2 Ca 0.00 -0.65 -0.04 0.00 0.04 0.00 0.00 61.00 60.35 1xsc s PRO 2 Cb 0.00 -5.17 0.01 0.00 0.04 0.00 0.00 34.50 29.38 1xsc s PRO 2 CO 0.00 -3.17 0.15 1.28 0.04 0.00 0.00 177.00 175.30 1xsc n LEU 3 N 12.74 -7.97 0.00 -3.56 4.77 -1.26 -4.86 117.00 116.87 1xsc n LEU 3 Ca 0.40 1.21 0.00 0.00 -0.03 0.00 0.00 56.01 57.59 1xsc n LEU 3 Cb 0.48 -3.35 0.00 0.00 -2.33 0.00 0.00 43.42 38.22 1xsc n LEU 3 CO 0.63 -3.00 0.00 0.61 -1.33 0.00 0.00 177.39 174.29 1xsc n GLY 4 N 0.47 1.16 3.58 -0.72 0.00 -1.26 -5.08 105.19 103.35 1xsc n GLY 4 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1xsc n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xsc s SER 5 N -1.45 5.58 -0.13 1.61 0.01 -1.26 -4.91 113.70 113.14 1xsc s SER 5 Ca 0.00 1.06 -0.21 0.00 1.31 0.00 0.00 55.95 58.11 1xsc s SER 5 Cb 0.00 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 1xsc s SER 5 CO 0.00 -2.00 0.60 -0.32 0.41 0.00 0.00 173.24 171.93 1xsc s MET 6 N 6.29 4.32 0.29 12.44 1.75 -1.26 -4.92 119.30 138.20 1xsc s MET 6 Ca 0.79 0.64 0.00 0.00 -1.25 0.00 0.00 55.69 55.87 1xsc s MET 6 Cb -0.20 -3.49 0.00 0.00 2.84 0.00 0.00 34.83 33.98 1xsc s MET 6 CO 0.30 -0.02 0.00 0.00 -0.65 0.00 0.00 175.02 174.65 1xsc n ALA 7 N 4.22 -2.23 -2.80 4.11 0.00 -1.26 -4.89 120.51 117.65 1xsc n ALA 7 Ca -0.03 0.41 -0.35 0.00 0.00 0.00 0.00 53.44 53.47 1xsc n ALA 7 Cb 0.51 -0.85 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 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 -6.28 3.67 -0.27 0.00 1.02 0.29 -4.96 118.68 112.15 1xsc s LEU 8 Ca 0.00 0.10 -0.29 0.00 0.02 0.00 0.00 54.13 53.96 1xsc s LEU 8 Cb 0.00 -1.89 0.01 0.00 0.02 0.00 0.00 46.19 44.34 1xsc s LEU 8 CO 0.00 0.26 1.04 -0.60 0.02 0.00 0.00 176.35 177.08 1xsc s ARG 9 N -0.18 4.16 0.21 1.70 3.52 -1.26 0.14 118.95 127.24 1xsc s ARG 9 Ca 0.06 1.19 0.02 0.00 -0.13 0.00 0.00 55.73 56.87 1xsc s ARG 9 Cb -0.12 -3.69 -0.05 0.00 -1.56 0.00 0.00 34.95 29.53 1xsc s ARG 9 CO 0.02 -0.76 0.04 0.00 -0.81 0.00 0.00 175.30 173.79 1xsc s ALA 10 N 3.40 1.52 -0.25 6.12 0.00 0.11 -1.53 121.76 131.12 1xsc s ALA 10 Ca 0.44 -1.72 -0.11 0.00 0.00 0.00 0.00 51.96 50.58 1xsc s ALA 10 Cb -0.14 0.77 0.10 0.00 0.00 0.00 0.00 23.12 23.85 1xsc s ALA 10 CO 0.11 -0.38 0.57 0.00 0.00 0.00 0.00 175.76 176.06 1xsc s GLY 12 N 2.33 2.57 -0.13 0.00 0.00 0.11 0.21 107.32 112.41 1xsc s GLY 12 Ca -0.06 -1.18 -0.01 0.00 0.00 0.00 0.00 44.72 43.47 1xsc s GLY 12 CO -0.17 -2.02 -0.04 1.08 0.00 0.00 0.00 173.10 171.95 1xsc s LEU 13 N -4.06 1.19 -0.97 0.66 1.43 -1.24 -3.29 118.68 112.41 1xsc s LEU 13 Ca 0.27 -0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 52.73 1xsc s LEU 13 Cb 0.00 -0.76 0.07 0.00 0.03 0.00 0.00 46.19 45.53 1xsc s LEU 13 CO 0.16 -0.17 1.33 -0.63 0.23 0.00 0.00 176.35 177.27 1xsc s ILE 14 N 1.75 4.15 0.33 -0.59 1.01 0.35 -4.52 121.20 123.67 1xsc s ILE 14 Ca 0.03 -0.91 -0.24 0.00 0.00 0.00 0.00 60.65 59.53 1xsc s ILE 14 Cb -0.14 -4.96 -0.10 0.00 0.01 0.00 0.00 42.46 37.27 1xsc s ILE 14 CO -0.07 -1.80 0.91 -0.63 0.00 0.00 0.00 174.94 173.35 1xsc s ILE 15 N 4.35 4.30 -0.22 2.92 1.01 -1.25 0.32 121.20 132.63 1xsc s ILE 15 Ca 0.41 1.68 -0.09 0.00 0.00 0.00 0.00 60.65 62.65 1xsc s ILE 15 Cb -0.02 -3.91 0.09 0.00 0.01 0.00 0.00 42.46 38.62 1xsc s ILE 15 CO -0.08 0.07 0.49 0.72 0.00 0.00 0.00 174.94 176.14 1xsc s PHE 16 N -1.70 -0.90 -0.28 3.97 -0.71 0.76 -0.89 117.98 118.23 1xsc s PHE 16 Ca 0.51 1.70 -0.29 0.00 -1.04 0.00 0.00 56.93 57.81 1xsc s PHE 16 Cb -0.17 0.43 -0.00 0.00 -1.21 0.00 0.00 43.02 42.07 1xsc s PHE 16 CO 0.21 -0.50 1.32 0.50 -1.34 0.00 0.00 175.22 175.42 1xsc s ARG 17 N 2.37 3.95 -0.27 1.99 3.00 0.25 -3.84 118.95 126.41 1xsc s ARG 17 Ca -0.05 1.33 -0.07 0.00 -1.00 0.00 0.00 55.73 55.94 1xsc s ARG 17 Cb -0.11 -3.88 -0.01 0.00 0.00 0.00 0.00 34.95 30.95 1xsc s ARG 17 CO -0.15 -1.08 0.08 0.50 0.00 0.00 0.00 175.30 174.65 1xsc s ARG 18 N 4.12 3.45 0.71 5.12 3.52 -1.26 -2.29 118.95 132.32 1xsc s ARG 18 Ca 0.57 -0.62 -0.11 0.00 -0.13 0.00 0.00 55.73 55.45 1xsc s ARG 18 Cb -0.18 -3.36 0.01 0.00 -1.56 0.00 0.00 34.95 29.87 1xsc s ARG 18 CO 0.22 -0.29 1.06 0.00 -0.81 0.00 0.00 175.30 175.49 1xsc n LEU 20 N -3.19 0.00 -4.48 0.00 7.94 -1.26 -4.80 117.00 111.21 1xsc n LEU 20 Ca 0.08 0.46 -0.31 0.00 -1.11 0.00 0.00 56.01 55.13 1xsc n LEU 20 Cb 0.53 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.36 1xsc n LEU 20 CO 0.55 0.00 -0.47 0.27 -1.11 0.00 0.00 177.39 176.63 1xsc s ILE 21 N -0.92 2.93 0.64 1.96 -5.25 -1.26 -5.13 121.20 114.17 1xsc s ILE 21 Ca 0.00 -1.15 -0.13 0.00 -0.99 0.00 0.00 60.65 58.38 1xsc s ILE 21 Cb 0.00 -2.25 -0.02 0.00 2.95 0.00 0.00 42.46 43.14 1xsc s ILE 21 CO 0.00 0.32 1.05 -2.84 -1.79 0.00 0.00 174.94 171.68 1xsc s PRO 22 N -1.50 3.22 0.00 0.37 0.02 -1.26 -5.04 135.00 130.81 1xsc s PRO 22 Ca 0.15 1.02 0.00 0.00 0.02 0.00 0.00 61.00 62.19 1xsc s PRO 22 Cb -0.11 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.39 1xsc s PRO 22 CO 0.06 -0.87 0.00 1.63 -0.33 0.00 0.00 177.00 177.49 1xsc n LYS 23 N -2.57 0.00 -0.16 5.54 4.01 -1.26 -4.78 118.16 118.93 1xsc n LYS 23 Ca 0.08 0.00 0.09 0.00 -0.51 0.00 0.00 58.31 57.97 1xsc n LYS 23 Cb 0.53 -0.32 0.17 0.00 -0.51 0.00 0.00 35.03 34.91 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 -2.28 0.57 -1.53 -0.18 0.31 -1.26 -4.95 118.33 109.01 1xsc n VAL 24 Ca 0.00 -0.79 -0.13 0.00 -0.01 0.00 0.00 64.34 63.42 1xsc n VAL 24 Cb 0.00 0.88 -0.05 0.00 -0.91 0.00 0.00 33.84 33.76 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 1.10 -4.42 0.00 4.52 4.64 -1.26 -4.94 116.55 116.19 1xsc n ASP 25 Ca 0.15 0.25 0.00 0.00 -1.38 0.00 0.00 54.79 53.82 1xsc n ASP 25 Cb 0.50 -3.14 0.00 0.00 -1.04 0.00 0.00 41.12 37.44 1xsc n ASP 25 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 1xsc n ASN 26 N -0.11 0.00 -4.66 1.67 6.94 -1.26 -4.95 115.26 112.90 1xsc n ASN 26 Ca -0.13 0.00 -0.38 0.00 -0.02 0.00 0.00 54.58 54.05 1xsc n ASN 26 Cb 0.45 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.79 1xsc n ASN 26 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1xsc s ASN 27 N -1.00 6.38 0.00 0.53 4.22 -1.26 -4.87 114.94 118.94 1xsc s ASN 27 Ca 0.00 0.45 0.00 0.00 -2.14 0.00 0.00 52.86 51.17 1xsc s ASN 27 Cb 0.00 -2.22 0.00 0.00 1.28 0.00 0.00 41.25 40.31 1xsc s ASN 27 CO 0.00 -0.09 0.00 0.00 -2.04 0.00 0.00 177.10 174.97 1xsc n ALA 28 N 4.64 2.64 -2.69 3.54 0.00 -1.26 -4.85 120.51 122.53 1xsc n ALA 28 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.01 1xsc n ALA 28 Cb 0.51 0.03 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.66 4.07 -0.09 0.00 1.01 -1.25 -3.19 121.20 120.10 1xsc s ILE 29 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 1xsc s ILE 29 Cb 0.00 -2.71 0.03 0.00 0.01 0.00 0.00 42.46 39.79 1xsc s ILE 29 CO 0.00 0.58 -0.01 -1.61 0.00 0.00 0.00 174.94 173.90 1xsc s GLU 30 N -0.66 0.81 0.37 2.79 2.02 -0.97 -4.36 118.70 118.69 1xsc s GLU 30 Ca 0.10 0.00 -0.19 0.00 0.02 0.00 0.00 54.97 54.91 1xsc s GLU 30 Cb -0.12 -1.17 -0.10 0.00 0.10 0.00 0.00 34.13 32.85 1xsc s GLU 30 CO 0.02 -0.31 0.85 -0.06 0.02 0.00 0.00 175.26 175.78 1xsc s PHE 31 N 1.91 3.39 0.01 1.61 0.08 0.20 0.86 117.98 126.04 1xsc s PHE 31 Ca 0.05 1.45 -0.21 0.00 0.12 0.00 0.00 56.93 58.34 1xsc s PHE 31 Cb -0.13 -2.72 -0.06 0.00 -0.57 0.00 0.00 43.02 39.55 1xsc s PHE 31 CO -0.06 0.02 0.61 -1.17 -0.10 0.00 0.00 175.22 174.52 1xsc s LEU 32 N -2.94 4.43 0.00 -0.37 2.96 -0.06 -2.07 118.68 120.64 1xsc s LEU 32 Ca 0.57 1.20 0.02 0.00 -0.22 0.00 0.00 54.13 55.70 1xsc s LEU 32 Cb -0.11 -2.95 -0.01 0.00 0.50 0.00 0.00 46.19 43.62 1xsc s LEU 32 CO 0.16 0.11 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.48 1xsc s LEU 33 N -0.28 2.05 -0.24 -0.68 1.43 0.21 -4.38 118.68 116.79 1xsc s LEU 33 Ca 0.32 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 1xsc s LEU 33 Cb -0.19 -0.26 0.05 0.00 0.03 0.00 0.00 46.19 45.82 1xsc s LEU 33 CO 0.18 0.03 -0.13 -0.76 0.23 0.00 0.00 176.35 175.90 1xsc s LEU 34 N -0.35 3.12 0.25 1.79 1.43 -1.13 0.05 118.68 123.83 1xsc s LEU 34 Ca 0.00 -1.18 -0.30 0.00 -1.03 0.00 0.00 54.13 51.62 1xsc s LEU 34 Cb -0.03 -1.54 -0.09 0.00 0.03 0.00 0.00 46.19 44.56 1xsc s LEU 34 CO -0.00 -0.14 1.11 -1.58 0.23 0.00 0.00 176.35 175.97 1xsc s GLN 35 N 1.16 4.61 0.49 1.70 0.74 0.29 -1.84 119.66 126.82 1xsc s GLN 35 Ca -0.05 1.80 -0.23 0.00 0.05 0.00 0.00 55.36 56.93 1xsc s GLN 35 Cb -0.18 -3.21 -0.07 0.00 1.10 0.00 0.00 33.01 30.65 1xsc s GLN 35 CO -0.07 0.14 1.28 0.00 -0.55 0.00 0.00 175.29 176.09 1xsc s ALA 36 N -0.83 2.96 -2.00 1.58 0.00 -0.33 -2.22 121.76 120.92 1xsc s ALA 36 Ca 0.47 1.17 0.20 0.00 0.00 0.00 0.00 51.96 53.80 1xsc s ALA 36 Cb -0.32 -3.49 1.22 0.00 0.00 0.00 0.00 23.12 20.54 1xsc s ALA 36 CO 0.39 -1.01 1.65 -1.13 0.00 0.00 0.00 175.76 175.66 1xsc n SER 37 N -0.61 0.00 -0.11 0.00 3.41 -1.00 -4.46 113.62 110.84 1xsc n SER 37 Ca 0.08 -0.89 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 1xsc n SER 37 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1xsc n SER 37 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1xsc n ASP 38 N -0.92 0.00 0.00 4.04 2.03 -1.26 -4.90 116.55 115.54 1xsc n ASP 38 Ca 0.15 -0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1xsc n ASP 38 Cb 0.07 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 1xsc n ASP 38 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xsc n GLY 39 N 0.00 3.26 0.08 0.27 0.00 -1.26 -1.66 105.19 105.88 1xsc n GLY 39 Ca 0.00 -0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.65 -0.61 3.06 -1.26 -4.93 119.36 112.98 1xsc n ILE 40 Ca 0.00 -0.04 -0.16 0.00 -2.50 0.00 0.00 62.75 60.05 1xsc n ILE 40 Cb 0.00 -0.04 0.02 0.00 0.54 0.00 0.00 39.64 40.15 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 -1.15 -1.21 -2.07 9.51 8.25 -0.66 -4.97 115.22 122.92 1xsc n HIS 41 Ca 0.11 0.26 -0.36 0.00 -0.26 0.00 0.00 57.72 57.47 1xsc n HIS 41 Cb 0.31 -3.42 0.02 0.00 1.12 0.00 0.00 29.99 28.02 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 -2.92 2.50 -0.26 4.41 -3.43 -1.26 -4.20 115.29 110.12 1xsc s HIS 42 Ca 0.15 1.51 -0.07 0.00 -0.80 0.00 0.00 55.06 55.85 1xsc s HIS 42 Cb -0.07 -3.46 -0.03 0.00 -1.43 0.00 0.00 32.58 27.59 1xsc s HIS 42 CO 0.19 -2.06 0.08 -1.58 -2.00 0.00 0.00 174.74 169.36 1xsc s TRP 43 N -1.59 3.10 -0.04 0.38 0.52 -1.25 -1.18 118.94 118.88 1xsc s TRP 43 Ca 0.74 -0.45 -0.05 0.00 0.02 0.00 0.00 56.10 56.36 1xsc s TRP 43 Cb -0.30 -2.25 0.01 0.00 -1.15 0.00 0.00 33.47 29.78 1xsc s TRP 43 CO 0.33 -0.37 0.12 0.95 0.02 0.00 0.00 176.95 178.00 1xsc s THR 44 N 1.61 0.02 0.89 2.01 -4.23 -0.76 -4.31 115.64 110.87 1xsc s THR 44 Ca 0.06 -0.13 -0.13 0.00 -1.18 0.00 0.00 61.69 60.31 1xsc s THR 44 Cb -0.15 -0.22 0.04 0.00 1.34 0.00 0.00 72.50 73.50 1xsc s THR 44 CO 0.04 -0.07 0.58 -2.65 -0.54 0.00 0.00 174.62 171.97 1xsc n PRO 45 N 2.74 -0.15 -1.89 3.99 -0.02 -1.26 -2.83 135.00 135.58 1xsc n PRO 45 Ca -0.14 0.01 -0.38 0.00 -2.02 0.00 0.00 63.50 60.96 1xsc n PRO 45 Cb 0.58 -1.96 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 1xsc n PRO 45 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xsc s PRO 46 N -3.62 2.56 0.12 0.52 0.04 -1.26 -4.81 135.00 128.54 1xsc s PRO 46 Ca 0.61 0.96 0.02 0.00 0.04 0.00 0.00 61.00 62.62 1xsc s PRO 46 Cb -0.25 -4.42 -0.04 0.00 0.04 0.00 0.00 34.50 29.83 1xsc s PRO 46 CO 0.63 -2.79 0.25 -1.59 0.04 0.00 0.00 177.00 173.55 1xsc s LYS 47 N 7.24 3.43 0.23 4.56 0.00 -1.26 -3.61 119.74 130.32 1xsc s LYS 47 Ca 0.78 -0.54 0.05 0.00 0.00 0.00 0.00 55.97 56.26 1xsc s LYS 47 Cb -0.15 -2.99 -0.05 0.00 0.00 0.00 0.00 37.83 34.64 1xsc s LYS 47 CO 0.24 0.55 -0.04 0.20 0.00 0.00 0.00 175.35 176.30 1xsc s GLY 48 N -2.95 1.57 -0.53 0.59 0.00 0.13 -4.82 107.32 101.30 1xsc s GLY 48 Ca 0.35 -1.77 -0.18 0.00 0.00 0.00 0.00 44.72 43.12 1xsc s GLY 48 CO 0.28 -1.72 0.58 -1.58 0.00 0.00 0.00 173.10 170.66 1xsc s HIS 49 N -3.25 3.11 0.11 1.90 2.46 -1.26 0.44 115.29 118.80 1xsc s HIS 49 Ca 0.27 -0.87 -0.31 0.00 0.47 0.00 0.00 55.06 54.62 1xsc s HIS 49 Cb 0.04 -3.65 -0.07 0.00 -0.13 0.00 0.00 32.58 28.77 1xsc s HIS 49 CO 0.08 -1.06 1.30 0.54 -2.47 0.00 0.00 174.74 173.13 1xsc s VAL 50 N 2.27 3.58 0.70 0.89 0.11 -0.59 -4.94 120.40 122.43 1xsc s VAL 50 Ca 0.10 1.16 -0.03 0.00 -2.93 0.00 0.00 61.98 60.28 1xsc s VAL 50 Cb -0.24 -3.74 0.10 0.00 -1.53 0.00 0.00 36.38 30.97 1xsc s VAL 50 CO 0.08 0.10 0.98 -1.83 -3.33 0.00 0.00 175.10 171.10 1xsc s GLU 51 N 0.89 1.86 0.08 1.54 -1.05 -1.26 -4.59 118.70 116.16 1xsc s GLU 51 Ca 0.61 -0.82 -0.35 0.00 -0.15 0.00 0.00 54.97 54.26 1xsc s GLU 51 Cb -0.34 -2.29 -0.17 0.00 -0.44 0.00 0.00 34.13 30.89 1xsc s GLU 51 CO 0.31 -1.34 1.53 -1.35 0.95 0.00 0.00 175.26 175.36 1xsc h PRO 52 N -0.51 -1.00 -0.05 -4.83 0.11 -1.99 -2.59 132.00 121.13 1xsc h PRO 52 Ca -0.40 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1xsc h PRO 52 Cb 1.28 0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.62 1xsc h PRO 52 CO 0.46 -0.67 0.00 0.41 -0.21 0.00 0.00 178.00 177.99 1xsc n GLY 53 N -1.56 -0.70 3.93 -0.55 0.00 -1.26 -4.86 105.19 100.18 1xsc n GLY 53 Ca -0.13 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.93 2.95 0.46 1.61 2.12 -0.98 -5.09 118.70 117.85 1xsc s GLU 54 Ca 0.16 -0.20 -0.04 0.00 0.36 0.00 0.00 54.97 55.25 1xsc s GLU 54 Cb 0.08 -2.38 -0.04 0.00 0.26 0.00 0.00 34.13 32.05 1xsc s GLU 54 CO 0.12 -0.56 0.75 0.34 -0.54 0.00 0.00 175.26 175.37 1xsc s ASP 55 N -4.28 6.28 -0.02 -1.70 -1.08 -1.26 -4.75 116.67 109.85 1xsc s ASP 55 Ca 0.52 0.86 -0.11 0.00 -0.52 0.00 0.00 52.55 53.29 1xsc s ASP 55 Cb -0.10 -2.22 -0.06 0.00 -1.46 0.00 0.00 42.92 39.08 1xsc s ASP 55 CO 0.42 -0.53 0.59 0.44 0.52 0.00 0.00 175.17 176.62 1xsc h ASP 56 N 0.34 -0.35 -0.67 -0.34 3.32 -1.98 -3.09 116.42 113.65 1xsc h ASP 56 Ca -0.47 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 1xsc h ASP 56 Cb 1.21 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.82 1xsc h ASP 56 CO 0.62 -0.04 0.18 0.25 -1.72 0.00 0.00 179.24 178.52 1xsc h LEU 57 N -0.83 1.01 -0.68 1.55 5.85 -1.96 -2.95 115.31 117.29 1xsc h LEU 57 Ca -0.04 -0.23 0.14 0.00 0.84 0.00 0.00 57.88 58.59 1xsc h LEU 57 Cb 0.32 -0.26 -0.10 0.00 0.37 0.00 0.00 40.66 40.98 1xsc h LEU 57 CO 0.07 0.97 0.14 -0.33 -0.34 0.00 0.00 178.44 178.95 1xsc h GLU 58 N 0.99 0.24 -0.47 1.25 3.07 -1.98 0.84 114.58 118.52 1xsc h GLU 58 Ca 0.21 -0.01 0.06 0.00 -0.50 0.00 0.00 59.36 59.12 1xsc h GLU 58 Cb 0.35 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.15 1xsc h GLU 58 CO -0.00 0.16 0.18 1.15 -1.40 0.00 0.00 179.01 179.09 1xsc h THR 59 N 0.25 0.86 0.00 1.13 2.02 -1.43 1.32 112.91 117.06 1xsc h THR 59 Ca 0.37 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.37 1xsc h THR 59 Cb 0.61 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1xsc h THR 59 CO -0.48 0.06 -0.27 0.00 0.37 0.00 0.00 175.52 175.20 1xsc h ALA 60 N 1.30 1.35 0.03 6.16 0.00 -0.55 -0.23 119.26 127.32 1xsc h ALA 60 Ca 0.22 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xsc h ALA 60 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1xsc h ALA 60 CO -0.22 0.34 -0.02 -0.07 0.00 0.00 0.00 179.25 179.29 1xsc h LEU 61 N 0.00 -0.04 -1.25 0.00 3.38 0.30 -2.77 115.31 114.94 1xsc h LEU 61 Ca -0.00 -0.67 -0.02 0.00 0.09 0.00 0.00 57.88 57.28 1xsc h LEU 61 Cb 0.55 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1xsc h LEU 61 CO 0.03 0.74 0.29 -0.09 0.09 0.00 0.00 178.44 179.50 1xsc h ARG 62 N -0.90 0.81 -0.20 1.13 9.65 0.17 -1.43 114.38 123.61 1xsc h ARG 62 Ca -0.00 -0.10 -0.09 0.00 -1.10 0.00 0.00 59.98 58.69 1xsc h ARG 62 Cb 0.70 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 1xsc h ARG 62 CO 0.01 0.62 -0.28 0.00 2.80 0.00 0.00 179.97 183.12 1xsc h ALA 63 N 1.51 1.15 0.55 2.80 0.00 -1.14 0.14 119.26 124.28 1xsc h ALA 63 Ca 0.20 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1xsc h ALA 63 Cb 0.07 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xsc h ALA 63 CO -0.03 0.54 -0.27 1.15 0.00 0.00 0.00 179.25 180.65 1xsc h THR 64 N 0.35 0.44 0.00 0.00 2.02 -0.97 0.48 112.91 115.22 1xsc h THR 64 Ca 0.05 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1xsc h THR 64 Cb 0.67 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1xsc h THR 64 CO 0.05 0.02 -0.03 0.06 0.37 0.00 0.00 175.52 175.99 1xsc h GLN 65 N -0.81 0.00 0.09 6.66 -0.00 0.89 1.44 115.11 123.39 1xsc h GLN 65 Ca -0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.43 1xsc h GLN 65 Cb 0.60 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 28.09 1xsc h GLN 65 CO 0.13 0.03 -0.62 0.93 -0.00 0.00 0.00 178.83 179.29 1xsc h GLU 66 N 0.00 0.26 -0.56 0.06 5.08 -0.47 0.15 114.58 119.09 1xsc h GLU 66 Ca -0.00 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1xsc h GLU 66 Cb 0.43 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1xsc h GLU 66 CO 0.00 1.17 0.00 0.39 -1.00 0.00 0.00 179.01 179.57 1xsc n GLU 67 N -4.24 2.78 0.00 2.33 4.71 0.16 -3.72 120.64 122.67 1xsc n GLU 67 Ca -0.13 -2.38 0.00 0.00 -0.01 0.00 0.00 57.16 54.64 1xsc n GLU 67 Cb 0.73 -1.43 0.00 0.00 -1.01 0.00 0.00 31.44 29.72 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 1.14 0.00 -0.77 0.62 0.00 0.49 -4.00 120.51 117.99 1xsc n ALA 68 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1xsc n ALA 68 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 0.47 3.58 0.00 0.00 0.51 -1.16 105.19 108.59 1xsc n GLY 69 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.40 4.36 0.45 -0.61 1.01 -1.23 -4.74 121.20 118.04 1xsc s ILE 70 Ca 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 60.65 60.52 1xsc s ILE 70 Cb 0.00 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 1xsc s ILE 70 CO 0.00 0.49 0.22 -1.83 0.00 0.00 0.00 174.94 173.82 1xsc s GLU 71 N 0.25 2.25 0.53 2.79 1.03 -1.26 0.79 118.70 125.08 1xsc s GLU 71 Ca 0.01 -1.93 0.28 0.00 0.03 0.00 0.00 54.97 53.36 1xsc s GLU 71 Cb -0.13 -1.98 1.44 0.00 -0.80 0.00 0.00 34.13 32.66 1xsc s GLU 71 CO 0.02 -0.26 1.95 0.00 -1.33 0.00 0.00 175.26 175.63 1xsc h ALA 72 N 1.24 2.67 0.00 -0.84 0.00 -1.86 0.86 119.26 121.32 1xsc h ALA 72 Ca -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1xsc h ALA 72 Cb 1.27 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xsc h ALA 72 CO 0.67 -0.87 0.00 0.41 0.00 0.00 0.00 179.25 179.46 1xsc n GLY 73 N -1.68 -1.20 0.00 0.00 0.00 -1.26 -2.87 105.19 98.19 1xsc n GLY 73 Ca 0.14 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.15 1xsc n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xsc n GLN 74 N -1.63 2.58 -4.38 1.61 1.13 0.28 -5.03 117.38 111.94 1xsc n GLN 74 Ca 0.04 -0.03 -0.28 0.00 -1.94 0.00 0.00 57.00 54.79 1xsc n GLN 74 Cb 0.23 -1.01 -0.06 0.00 0.11 0.00 0.00 30.24 29.51 1xsc n GLN 74 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 1xsc n LEU 75 N -1.45 0.00 -3.93 1.08 -0.00 -0.35 -0.16 117.00 112.20 1xsc n LEU 75 Ca 0.00 -2.88 -0.31 0.00 -0.00 0.00 0.00 56.01 52.83 1xsc n LEU 75 Cb 0.16 0.44 -0.15 0.00 -0.00 0.00 0.00 43.42 43.87 1xsc n LEU 75 CO 0.16 -0.42 -0.35 -0.89 -0.00 0.00 0.00 177.39 175.90 1xsc s THR 76 N -2.72 1.76 -0.12 1.47 2.01 0.34 -4.76 115.64 113.62 1xsc s THR 76 Ca 0.04 -1.89 -0.29 0.00 0.31 0.00 0.00 61.69 59.85 1xsc s THR 76 Cb 0.00 -2.25 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 1xsc s THR 76 CO 0.03 -0.54 1.11 -0.63 -0.69 0.00 0.00 174.62 173.90 1xsc s ILE 77 N 1.19 4.54 0.04 1.82 -1.09 -1.26 -1.27 121.20 125.17 1xsc s ILE 77 Ca 0.08 1.84 -0.21 0.00 -2.23 0.00 0.00 60.65 60.12 1xsc s ILE 77 Cb -0.18 -4.18 -0.06 0.00 -1.58 0.00 0.00 42.46 36.45 1xsc s ILE 77 CO -0.13 -0.05 0.63 -0.63 -1.23 0.00 0.00 174.94 173.53 1xsc s ILE 78 N 2.50 4.78 0.18 2.92 1.09 0.29 -4.97 121.20 128.00 1xsc s ILE 78 Ca 0.51 1.33 -0.05 0.00 -1.10 0.00 0.00 60.65 61.34 1xsc s ILE 78 Cb -0.20 -3.97 -0.06 0.00 -1.06 0.00 0.00 42.46 37.18 1xsc s ILE 78 CO 0.16 0.46 0.43 -1.61 -0.10 0.00 0.00 174.94 174.28 1xsc s GLU 79 N -0.54 3.63 0.00 2.79 2.02 -1.26 -4.30 118.70 121.04 1xsc s GLU 79 Ca 0.32 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.25 1xsc s GLU 79 Cb -0.19 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.25 1xsc s GLU 79 CO 0.19 0.40 0.00 0.41 0.02 0.00 0.00 175.26 176.28 1xsc n GLY 80 N -0.20 2.80 3.77 -1.39 0.00 -1.26 -5.05 105.19 103.87 1xsc n GLY 80 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.72 3.48 -0.25 1.61 2.19 -1.26 -5.08 117.98 115.95 1xsc s PHE 81 Ca 0.00 0.46 -0.18 0.00 0.33 0.00 0.00 56.93 57.55 1xsc s PHE 81 Cb 0.00 -2.16 0.07 0.00 -1.31 0.00 0.00 43.02 39.62 1xsc s PHE 81 CO 0.00 0.39 0.64 0.21 1.83 0.00 0.00 175.22 178.29 1xsc s LYS 82 N 0.02 0.69 -0.20 10.12 2.47 -1.26 -4.76 119.74 126.82 1xsc s LYS 82 Ca 0.12 1.06 -0.27 0.00 -1.56 0.00 0.00 55.97 55.32 1xsc s LYS 82 Cb -0.12 0.20 0.07 0.00 -1.46 0.00 0.00 37.83 36.52 1xsc s LYS 82 CO 0.01 -0.13 0.72 0.50 0.16 0.00 0.00 175.35 176.61 1xsc s ARG 83 N 1.14 0.90 -0.07 4.03 3.52 -1.24 -5.02 118.95 122.22 1xsc s ARG 83 Ca -0.06 0.76 0.02 0.00 -0.13 0.00 0.00 55.73 56.31 1xsc s ARG 83 Cb -0.05 0.43 0.02 0.00 -1.56 0.00 0.00 34.95 33.79 1xsc s ARG 83 CO -0.12 -0.17 -0.10 -1.83 -0.81 0.00 0.00 175.30 172.27 1xsc s GLU 84 N -0.11 1.55 -0.29 5.12 1.03 -1.25 0.97 118.70 125.72 1xsc s GLU 84 Ca -0.03 -0.35 -0.20 0.00 0.03 0.00 0.00 54.97 54.42 1xsc s GLU 84 Cb -0.03 -1.35 -0.01 0.00 -0.80 0.00 0.00 34.13 31.93 1xsc s GLU 84 CO 0.04 -0.03 0.63 -0.51 -1.33 0.00 0.00 175.26 174.06 1xsc s LEU 85 N 0.85 4.11 -0.19 1.83 1.43 0.23 -4.75 118.68 122.20 1xsc s LEU 85 Ca -0.11 0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 53.48 1xsc s LEU 85 Cb -0.15 -2.83 -0.02 0.00 0.03 0.00 0.00 46.19 43.22 1xsc s LEU 85 CO 0.02 -0.45 -0.05 0.20 0.23 0.00 0.00 176.35 176.30 1xsc s ASN 86 N 1.58 4.45 -0.26 2.29 0.02 -1.24 -1.13 114.94 120.65 1xsc s ASN 86 Ca 0.26 -0.29 -0.26 0.00 -1.02 0.00 0.00 52.86 51.55 1xsc s ASN 86 Cb -0.15 -1.74 0.12 0.00 0.02 0.00 0.00 41.25 39.50 1xsc s ASN 86 CO 0.11 0.06 1.01 -0.72 0.02 0.00 0.00 177.10 177.58 1xsc s TYR 87 N 0.99 -0.48 -0.44 2.20 -0.85 -1.16 -4.93 117.35 112.68 1xsc s TYR 87 Ca 0.00 1.12 -0.26 0.00 -0.52 0.00 0.00 57.07 57.41 1xsc s TYR 87 Cb -0.15 0.37 0.02 0.00 0.38 0.00 0.00 41.96 42.59 1xsc s TYR 87 CO 0.01 -0.25 0.96 0.54 -1.52 0.00 0.00 175.55 175.29 1xsc s VAL 88 N 0.05 4.45 0.00 -3.49 0.11 -1.26 -0.89 120.40 119.38 1xsc s VAL 88 Ca 0.02 0.95 0.00 0.00 -2.93 0.00 0.00 61.98 60.03 1xsc s VAL 88 Cb -0.04 -4.44 0.00 0.00 -1.53 0.00 0.00 36.38 30.37 1xsc s VAL 88 CO -0.05 -0.79 0.00 0.00 -3.33 0.00 0.00 175.10 170.94 1xsc n ALA 89 N 7.18 0.00 -0.06 1.54 0.00 -0.97 -4.69 120.51 123.51 1xsc n ALA 89 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 1xsc n ALA 89 Cb 0.48 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.18 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 0.66 0.00 0.00 -0.00 -2.04 -3.42 114.38 109.58 1xsc h ARG 90 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 59.98 59.84 1xsc h ARG 90 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 29.97 29.88 1xsc h ARG 90 CO 0.00 0.65 0.00 0.27 -0.00 0.00 0.00 179.97 180.89 1xsc n ASN 91 N -4.27 0.00 -3.65 0.08 6.94 -1.26 -5.15 115.26 107.95 1xsc n ASN 91 Ca 0.02 0.00 -0.05 0.00 -0.02 0.00 0.00 54.58 54.53 1xsc n ASN 91 Cb 0.25 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.60 1xsc n ASN 91 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1xsc s LYS 92 N 0.00 0.62 -0.15 -3.83 2.47 -1.26 -5.09 119.74 112.50 1xsc s LYS 92 Ca 0.00 1.26 -0.29 0.00 -1.56 0.00 0.00 55.97 55.38 1xsc s LYS 92 Cb 0.00 0.39 -0.03 0.00 -1.46 0.00 0.00 37.83 36.73 1xsc s LYS 92 CO 0.00 -0.17 1.41 -1.25 0.16 0.00 0.00 175.35 175.49 1xsc s PRO 93 N 2.10 4.16 -0.20 4.03 0.04 -1.26 -2.30 135.00 141.58 1xsc s PRO 93 Ca -0.08 1.79 -0.10 0.00 0.04 0.00 0.00 61.00 62.65 1xsc s PRO 93 Cb -0.08 -3.86 -0.05 0.00 0.04 0.00 0.00 34.50 30.55 1xsc s PRO 93 CO -0.19 -0.82 0.12 0.21 0.04 0.00 0.00 177.00 176.36 1xsc s LYS 94 N 3.79 4.15 -0.55 4.56 2.47 -0.07 0.11 119.74 134.20 1xsc s LYS 94 Ca 0.62 -0.23 -0.18 0.00 -1.56 0.00 0.00 55.97 54.62 1xsc s LYS 94 Cb -0.25 -3.39 0.10 0.00 -1.46 0.00 0.00 37.83 32.83 1xsc s LYS 94 CO 0.21 0.31 0.59 0.99 0.16 0.00 0.00 175.35 177.60 1xsc s THR 95 N 0.33 5.01 -0.41 3.43 2.01 0.12 -3.00 115.64 123.14 1xsc s THR 95 Ca 0.07 -1.09 -0.12 0.00 0.31 0.00 0.00 61.69 60.87 1xsc s THR 95 Cb -0.11 -4.37 0.04 0.00 0.01 0.00 0.00 72.50 68.08 1xsc s THR 95 CO -0.02 -0.93 0.26 -0.69 -0.69 0.00 0.00 174.62 172.56 1xsc s VAL 96 N 2.20 4.74 -0.20 3.82 1.01 -0.28 0.06 120.40 131.75 1xsc s VAL 96 Ca 0.08 -0.96 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 1xsc s VAL 96 Cb -0.25 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1xsc s VAL 96 CO 0.06 -0.36 0.74 -0.63 0.00 0.00 0.00 175.10 174.91 1xsc s ILE 97 N 1.57 4.93 -0.16 2.22 -1.09 -1.11 0.77 121.20 128.33 1xsc s ILE 97 Ca 0.03 1.42 -0.03 0.00 -2.23 0.00 0.00 60.65 59.84 1xsc s ILE 97 Cb -0.21 -4.05 -0.02 0.00 -1.58 0.00 0.00 42.46 36.61 1xsc s ILE 97 CO 0.06 0.04 -0.06 -0.31 -1.23 0.00 0.00 174.94 173.45 1xsc s TYR 98 N 2.19 2.96 0.40 3.97 2.02 0.27 0.07 117.35 129.24 1xsc s TYR 98 Ca 0.33 -0.48 0.08 0.00 -0.37 0.00 0.00 57.07 56.63 1xsc s TYR 98 Cb -0.16 -1.96 -0.03 0.00 -0.40 0.00 0.00 41.96 39.41 1xsc s TYR 98 CO 0.10 -0.16 0.33 -1.58 -1.57 0.00 0.00 175.55 172.67 1xsc s TRP 99 N 0.56 2.71 -0.41 2.71 0.51 -1.21 -3.66 118.94 120.16 1xsc s TRP 99 Ca -0.04 -0.48 -0.14 0.00 -2.12 0.00 0.00 56.10 53.32 1xsc s TRP 99 Cb -0.15 -2.08 0.03 0.00 -0.81 0.00 0.00 33.47 30.46 1xsc s TRP 99 CO 0.03 -0.03 0.29 -0.51 -0.51 0.00 0.00 176.95 176.22 1xsc s LEU 100 N -4.07 5.09 0.15 2.99 1.43 -1.26 0.13 118.68 123.14 1xsc s LEU 100 Ca 0.46 -1.02 0.11 0.00 -1.03 0.00 0.00 54.13 52.64 1xsc s LEU 100 Cb -0.02 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 1xsc s LEU 100 CO 0.27 -0.47 -0.23 0.00 0.23 0.00 0.00 176.35 176.15 1xsc s ALA 101 N 1.63 2.54 -0.15 4.21 0.00 0.15 0.11 121.76 130.24 1xsc s ALA 101 Ca 0.04 -1.50 -0.01 0.00 0.00 0.00 0.00 51.96 50.49 1xsc s ALA 101 Cb -0.20 -0.45 0.04 0.00 0.00 0.00 0.00 23.12 22.51 1xsc s ALA 101 CO 0.08 0.51 -0.03 -2.00 0.00 0.00 0.00 175.76 174.33 1xsc s GLU 102 N -2.34 1.14 0.11 0.00 -6.30 -0.40 0.27 118.70 111.18 1xsc s GLU 102 Ca 0.18 -0.38 -0.31 0.00 -2.50 0.00 0.00 54.97 51.96 1xsc s GLU 102 Cb -0.09 -1.83 -0.07 0.00 0.00 0.00 0.00 34.13 32.13 1xsc s GLU 102 CO 0.09 -0.45 1.26 0.14 0.02 0.00 0.00 175.26 176.33 1xsc s VAL 103 N 1.74 3.65 0.31 3.70 -7.23 -1.25 0.13 120.40 121.45 1xsc s VAL 103 Ca 0.01 1.24 0.22 0.00 -1.81 0.00 0.00 61.98 61.64 1xsc s VAL 103 Cb -0.15 -3.79 0.21 0.00 0.56 0.00 0.00 36.38 33.21 1xsc s VAL 103 CO -0.07 0.12 1.92 0.11 -0.31 0.00 0.00 175.10 176.87 1xsc h LYS 104 N 6.35 0.00 -5.11 4.82 1.57 -0.89 -3.42 116.57 119.89 1xsc h LYS 104 Ca -0.43 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.72 1xsc h LYS 104 Cb 1.21 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.34 1xsc h LYS 104 CO 0.81 0.24 -0.58 0.34 -0.57 0.00 0.00 179.45 179.69 1xsc s ASP 105 N -6.39 5.49 0.18 0.86 3.68 -1.26 -4.98 116.67 114.25 1xsc s ASP 105 Ca -0.02 -0.04 -0.12 0.00 2.13 0.00 0.00 52.55 54.51 1xsc s ASP 105 Cb 0.13 -1.97 0.09 0.00 -1.45 0.00 0.00 42.92 39.72 1xsc s ASP 105 CO 0.64 0.07 1.77 0.22 0.13 0.00 0.00 175.17 178.00 1xsc h TYR 106 N 7.46 0.89 -0.68 -5.34 3.20 -2.00 -1.55 116.97 118.94 1xsc h TYR 106 Ca -0.37 -0.04 -0.16 0.00 3.14 0.00 0.00 58.73 61.30 1xsc h TYR 106 Cb 1.17 -0.28 -0.09 0.00 1.54 0.00 0.00 36.73 39.07 1xsc h TYR 106 CO 0.63 0.67 0.20 -0.25 -1.64 0.00 0.00 178.16 177.76 1xsc n ASP 107 N -4.51 4.94 -4.36 -2.11 8.00 -1.26 -5.01 116.55 112.24 1xsc n ASP 107 Ca 0.04 -3.09 -0.40 0.00 0.71 0.00 0.00 54.79 52.05 1xsc n ASP 107 Cb 0.12 -0.72 0.01 0.00 -0.02 0.00 0.00 41.12 40.50 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 0.07 1.09 -1.92 2.53 3.14 -0.59 -4.84 118.33 117.81 1xsc n VAL 108 Ca 0.36 -0.50 -0.40 0.00 -2.96 0.00 0.00 64.34 60.84 1xsc n VAL 108 Cb 1.30 -0.28 -0.00 0.00 -1.06 0.00 0.00 33.84 33.80 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 -1.37 4.06 -0.38 1.45 1.03 -1.26 -5.00 118.70 117.23 1xsc s GLU 109 Ca 0.62 2.39 0.03 0.00 0.03 0.00 0.00 54.97 58.03 1xsc s GLU 109 Cb -0.55 -2.90 0.11 0.00 -0.80 0.00 0.00 34.13 29.99 1xsc s GLU 109 CO 0.61 -0.50 0.13 0.42 -1.33 0.00 0.00 175.26 174.59 1xsc s ILE 110 N -1.17 1.88 -0.53 1.83 -1.09 -1.21 -4.21 121.20 116.70 1xsc s ILE 110 Ca 0.54 -2.33 -0.16 0.00 -2.23 0.00 0.00 60.65 56.47 1xsc s ILE 110 Cb -0.43 -2.37 0.11 0.00 -1.58 0.00 0.00 42.46 38.20 1xsc s ILE 110 CO 0.57 -0.70 0.49 -0.13 -1.23 0.00 0.00 174.94 173.95 1xsc s ARG 111 N 0.78 3.00 -0.22 2.79 3.00 -0.31 -4.84 118.95 123.14 1xsc s ARG 111 Ca 0.13 -1.57 -0.13 0.00 0.00 0.00 0.00 55.73 54.16 1xsc s ARG 111 Cb -0.21 -4.25 -0.04 0.00 0.00 0.00 0.00 34.95 30.45 1xsc s ARG 111 CO -0.09 -1.27 0.28 -0.51 0.00 0.00 0.00 175.30 173.71 1xsc s LEU 112 N 1.73 4.13 0.00 2.53 1.43 -1.26 0.27 118.68 127.51 1xsc s LEU 112 Ca 0.04 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 1xsc s LEU 112 Cb -0.28 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.63 1xsc s LEU 112 CO 0.04 -0.01 0.00 -1.54 0.23 0.00 0.00 176.35 175.07 1xsc n SER 113 N 4.40 -0.62 -0.22 2.29 3.41 -1.24 -4.81 113.62 116.83 1xsc n SER 113 Ca -0.12 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1xsc n SER 113 Cb 0.51 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.47 1xsc n SER 113 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xsc n HIS 114 N -1.58 0.02 -0.09 7.33 8.25 -1.26 -3.30 115.22 124.59 1xsc n HIS 114 Ca 0.00 -0.01 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 1xsc n HIS 114 Cb 0.00 -0.04 -0.11 0.00 1.12 0.00 0.00 29.99 30.96 1xsc n HIS 114 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1xsc n GLU 115 N -0.28 0.93 -3.94 -0.41 1.02 -1.26 -4.93 120.64 111.77 1xsc n GLU 115 Ca 0.00 0.06 -0.35 0.00 -0.02 0.00 0.00 57.16 56.85 1xsc n GLU 115 Cb 0.11 -1.40 -0.12 0.00 -0.02 0.00 0.00 31.44 30.01 1xsc n GLU 115 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1xsc s HIS 116 N -2.39 3.07 -0.72 -0.32 3.76 -1.21 -2.38 115.29 115.11 1xsc s HIS 116 Ca -0.18 -0.41 0.23 0.00 -0.15 0.00 0.00 55.06 54.56 1xsc s HIS 116 Cb 0.06 -2.14 0.18 0.00 1.11 0.00 0.00 32.58 31.79 1xsc s HIS 116 CO 0.55 -0.25 1.16 0.94 -0.85 0.00 0.00 174.74 176.28 1xsc n GLN 117 N 4.44 0.21 -3.72 1.40 -0.06 -0.94 -4.48 117.38 114.23 1xsc n GLN 117 Ca -0.17 0.01 -0.06 0.00 -2.00 0.00 0.00 57.00 54.79 1xsc n GLN 117 Cb 0.52 -1.59 -0.02 0.00 -4.06 0.00 0.00 30.24 25.09 1xsc n GLN 117 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1xsc s ALA 118 N -3.14 -1.55 0.21 1.69 0.00 -1.21 -5.01 121.76 112.75 1xsc s ALA 118 Ca 0.06 0.16 -0.08 0.00 0.00 0.00 0.00 51.96 52.10 1xsc s ALA 118 Cb 0.15 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.94 1xsc s ALA 118 CO 0.77 -0.97 0.30 1.52 0.00 0.00 0.00 175.76 177.38 1xsc s TYR 119 N -3.48 0.63 0.08 0.00 1.13 -1.26 0.11 117.35 114.56 1xsc s TYR 119 Ca 0.10 -0.95 -0.21 0.00 -1.41 0.00 0.00 57.07 54.60 1xsc s TYR 119 Cb -0.03 -0.13 0.05 0.00 -1.10 0.00 0.00 41.96 40.75 1xsc s TYR 119 CO 0.01 -0.79 0.50 1.03 -2.51 0.00 0.00 175.55 173.78 1xsc s ARG 120 N -4.05 1.07 -0.28 -3.49 0.52 0.11 -4.90 118.95 107.92 1xsc s ARG 120 Ca 0.26 -0.37 0.03 0.00 -0.52 0.00 0.00 55.73 55.13 1xsc s ARG 120 Cb 0.03 0.48 0.07 0.00 0.52 0.00 0.00 34.95 36.05 1xsc s ARG 120 CO 0.07 -0.40 -0.06 -1.58 0.02 0.00 0.00 175.30 173.35 1xsc s TRP 121 N -2.91 3.39 0.17 -0.53 0.52 -1.26 -0.62 118.94 117.71 1xsc s TRP 121 Ca -0.03 -2.47 -0.01 0.00 0.02 0.00 0.00 56.10 53.62 1xsc s TRP 121 Cb -0.00 -2.19 -0.04 0.00 -1.15 0.00 0.00 33.47 30.09 1xsc s TRP 121 CO -0.05 -0.89 0.09 -0.51 0.02 0.00 0.00 176.95 175.60 1xsc s LEU 122 N 1.06 1.51 0.00 2.99 1.02 -0.88 -4.87 118.68 119.51 1xsc s LEU 122 Ca -0.04 -1.30 0.00 0.00 0.02 0.00 0.00 54.13 52.81 1xsc s LEU 122 Cb -0.20 0.29 0.00 0.00 0.02 0.00 0.00 46.19 46.30 1xsc s LEU 122 CO -0.06 -0.77 0.00 0.61 0.02 0.00 0.00 176.35 176.16 1xsc n GLY 123 N -0.21 -1.42 0.16 -3.19 0.00 -1.26 0.62 105.19 99.88 1xsc n GLY 123 Ca -0.02 -1.54 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 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 0.46 0.02 0.99 5.85 -1.91 0.13 115.31 120.85 1xsc h LEU 124 Ca 0.00 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.36 1xsc h LEU 124 Cb 0.00 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1xsc h LEU 124 CO 0.00 0.75 -0.21 1.05 -0.34 0.00 0.00 178.44 179.68 1xsc h GLU 125 N 0.17 -0.34 0.11 1.25 4.11 -1.97 0.61 114.58 118.52 1xsc h GLU 125 Ca 0.05 0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 1xsc h GLU 125 Cb 0.56 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1xsc h GLU 125 CO 0.03 -0.23 -0.05 0.93 0.07 0.00 0.00 179.01 179.76 1xsc h GLU 126 N -0.35 -0.14 -0.65 1.06 3.07 -1.91 0.16 114.58 115.82 1xsc h GLU 126 Ca 0.05 0.01 0.19 0.00 -0.50 0.00 0.00 59.36 59.11 1xsc h GLU 126 Cb 0.42 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 1xsc h GLU 126 CO -0.18 0.26 0.58 0.00 -1.40 0.00 0.00 179.01 178.27 1xsc h ALA 127 N 0.23 2.48 0.07 3.43 0.00 -0.61 1.03 119.26 125.88 1xsc h ALA 127 Ca -0.01 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 1xsc h ALA 127 Cb 0.47 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1xsc h ALA 127 CO 0.02 -0.92 -1.35 0.00 0.00 0.00 0.00 179.25 177.01 1xsc h GLN 129 N 0.04 0.48 0.07 0.00 -0.00 0.40 -3.10 115.11 113.00 1xsc h GLN 129 Ca -0.16 -0.12 -0.26 0.00 -0.00 0.00 0.00 58.65 58.11 1xsc h GLN 129 Cb 1.94 -0.06 0.01 0.00 -0.00 0.00 0.00 27.48 29.37 1xsc h GLN 129 CO 0.15 0.56 -1.11 -0.07 -0.00 0.00 0.00 178.83 178.36 1xsc h LEU 130 N 0.31 0.63 -3.98 0.06 3.38 -1.18 -3.29 115.31 111.24 1xsc h LEU 130 Ca 0.09 -0.56 -0.18 0.00 0.09 0.00 0.00 57.88 57.32 1xsc h LEU 130 Cb 0.30 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 1xsc h LEU 130 CO 0.00 1.38 -0.36 0.00 0.09 0.00 0.00 178.44 179.55 1xsc n ALA 131 N -2.58 6.21 -0.62 1.53 0.00 -0.67 -3.86 120.51 120.51 1xsc n ALA 131 Ca -0.09 -1.74 0.47 0.00 0.00 0.00 0.00 53.44 52.08 1xsc n ALA 131 Cb 0.93 -2.27 0.73 0.00 0.00 0.00 0.00 19.45 18.83 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 2.47 -0.00 -1.95 0.00 0.00 -1.22 -4.03 117.38 112.65 1xsc n GLN 132 Ca 0.41 0.98 -0.42 0.00 0.00 0.00 0.00 57.00 57.97 1xsc n GLN 132 Cb 0.89 -2.24 -0.03 0.00 0.00 0.00 0.00 30.24 28.86 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 -4.68 2.72 0.14 2.61 0.40 -1.26 -4.92 117.98 112.99 1xsc s PHE 133 Ca -0.05 0.48 -0.28 0.00 -0.60 0.00 0.00 56.93 56.49 1xsc s PHE 133 Cb 0.24 -3.93 -0.03 0.00 0.51 0.00 0.00 43.02 39.81 1xsc s PHE 133 CO 0.79 -3.58 1.59 -0.22 0.70 0.00 0.00 175.22 174.50 1xsc h LYS 134 N 7.65 -0.42 -0.60 0.44 3.64 -1.98 -1.96 116.57 123.34 1xsc h LYS 134 Ca -0.42 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.10 1xsc h LYS 134 Cb 1.20 0.09 -0.12 0.00 -0.41 0.00 0.00 32.23 33.00 1xsc h LYS 134 CO 0.92 -0.28 -0.16 1.05 -2.27 0.00 0.00 179.45 178.71 1xsc h GLU 135 N -0.43 -0.01 -0.68 1.90 -0.00 -1.91 0.19 114.58 113.64 1xsc h GLU 135 Ca 0.10 0.00 0.02 0.00 -0.00 0.00 0.00 59.36 59.48 1xsc h GLU 135 Cb 0.60 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.32 1xsc h GLU 135 CO -0.43 -0.01 0.45 0.52 -0.00 0.00 0.00 179.01 179.54 1xsc h MET 136 N -0.01 0.84 -0.23 1.06 2.86 -1.70 0.20 114.93 117.95 1xsc h MET 136 Ca 0.29 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 1xsc h MET 136 Cb 0.45 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1xsc h MET 136 CO -0.63 0.55 0.04 0.87 1.06 0.00 0.00 176.91 178.80 1xsc h LYS 137 N 0.86 0.33 -0.02 1.72 6.56 0.06 -1.66 116.57 124.42 1xsc h LYS 137 Ca 0.26 -0.04 -0.09 0.00 -1.06 0.00 0.00 60.65 59.71 1xsc h LYS 137 Cb -0.01 -0.06 0.01 0.00 -0.57 0.00 0.00 32.23 31.60 1xsc h LYS 137 CO -0.07 0.32 -0.36 0.00 -2.06 0.00 0.00 179.45 177.29 1xsc h ALA 138 N 1.72 0.07 -0.71 3.86 0.00 0.39 0.47 119.26 125.07 1xsc h ALA 138 Ca 0.08 -0.48 0.12 0.00 0.00 0.00 0.00 54.91 54.62 1xsc h ALA 138 Cb 0.16 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 1xsc h ALA 138 CO -0.00 0.18 0.29 0.00 0.00 0.00 0.00 179.25 179.71 1xsc h ALA 139 N 0.32 0.97 0.00 0.00 0.00 -0.28 0.18 119.26 120.45 1xsc h ALA 139 Ca -0.04 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1xsc h ALA 139 Cb 1.07 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1xsc h ALA 139 CO 0.07 -0.17 -0.48 -0.07 0.00 0.00 0.00 179.25 178.60 1xsc h LEU 140 N 0.46 0.00 0.14 0.00 3.38 -1.37 -2.80 115.31 115.12 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 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1xsc h LEU 140 CO -0.35 0.48 -0.07 1.56 0.09 0.00 0.00 178.44 180.14 1xsc h GLN 141 N 0.00 -0.18 -0.02 1.13 1.08 0.15 -2.92 115.11 114.36 1xsc h GLN 141 Ca -0.00 0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 57.07 1xsc h GLN 141 Cb 1.35 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.81 1xsc h GLN 141 CO 0.06 0.16 -0.64 0.93 -0.95 0.00 0.00 178.83 178.39 1xsc h GLU 142 N -0.54 0.07 -0.40 1.46 4.39 -0.90 -2.07 114.58 116.59 1xsc h GLU 142 Ca -0.02 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.68 1xsc h GLU 142 Cb 0.42 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.04 1xsc h GLU 142 CO 0.03 0.68 0.14 0.78 -1.16 0.00 0.00 179.01 179.49 1xsc h GLY 143 N 1.79 0.52 1.59 -3.84 0.00 -1.49 0.67 103.07 102.31 1xsc h GLY 143 Ca -0.01 -0.08 -0.21 0.00 0.00 0.00 0.00 47.33 47.03 1xsc h GLY 143 CO 0.09 0.03 -0.85 0.84 0.00 0.00 0.00 176.54 176.64 1xsc h HIS 144 N 0.31 0.55 0.22 5.60 -0.00 -1.50 -2.53 115.15 117.80 1xsc h HIS 144 Ca 0.19 -0.28 -0.01 0.00 -0.00 0.00 0.00 60.37 60.27 1xsc h HIS 144 Cb 0.17 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.51 1xsc h HIS 144 CO -0.15 1.07 -0.11 0.37 -0.00 0.00 0.00 177.93 179.11 1xsc h GLN 145 N 0.23 -0.29 0.31 5.26 5.75 -0.74 -1.67 115.11 123.97 1xsc h GLN 145 Ca -0.06 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1xsc h GLN 145 Cb 1.46 0.07 0.00 0.00 1.07 0.00 0.00 27.48 30.08 1xsc h GLN 145 CO 0.14 -0.01 -0.15 0.35 -2.65 0.00 0.00 178.83 176.51 1xsc h PHE 146 N -0.55 -0.39 -0.35 3.99 3.57 0.23 -2.87 116.94 120.56 1xsc h PHE 146 Ca -0.03 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.56 1xsc h PHE 146 Cb 0.41 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1xsc h PHE 146 CO 0.01 -0.12 0.28 -0.07 -2.23 0.00 0.00 178.31 176.18 1xsc h LEU 147 N -0.61 0.00 0.00 0.59 3.38 -1.53 0.26 115.31 117.40 1xsc h LEU 147 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xsc h LEU 147 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1xsc h LEU 147 CO 0.07 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.60 1xsc n SER 149 N -1.42 1.49 -0.14 0.00 2.88 0.92 -4.96 113.62 112.39 1xsc n SER 149 Ca 0.07 -1.24 0.00 0.00 -1.33 0.00 0.00 58.87 56.36 1xsc n SER 149 Cb 0.21 0.62 0.00 0.00 -0.75 0.00 0.00 64.21 64.29 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 -0.47 0.00 0.01 2.46 5.41 -1.08 -5.11 119.36 120.58 1xsc n ILE 150 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1xsc n ILE 150 Cb 0.35 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.28 1xsc n ILE 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1xsc n GLU 151 N 0.00 0.00 0.00 0.38 -0.58 -1.26 -5.06 120.64 114.12 1xsc n GLU 151 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1xsc n GLU 151 Cb 0.00 -0.01 0.00 0.00 -0.57 0.00 0.00 31.44 30.86 1xsc n GLU 151 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsc n ALA 152 N -2.59 1.36 -1.76 0.62 0.00 -1.26 -5.11 120.51 111.76 1xsc n ALA 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xsc n ALA 152 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xsc n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78