#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 2.79 0.25 1.61 0.04 -1.26 -4.58 135.00 133.85 1xsc s PRO 2 Ca 0.00 0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.04 1xsc s PRO 2 Cb 0.00 -4.68 0.00 0.00 0.04 0.00 0.00 34.50 29.86 1xsc s PRO 2 CO 0.00 -2.80 0.00 1.28 0.04 0.00 0.00 177.00 175.52 1xsc n LEU 3 N 12.23 -5.94 0.00 -3.56 4.77 -1.26 -4.98 117.00 118.26 1xsc n LEU 3 Ca 0.26 3.08 0.00 0.00 -0.03 0.00 0.00 56.01 59.31 1xsc n LEU 3 Cb 0.50 -2.98 0.00 0.00 -2.33 0.00 0.00 43.42 38.61 1xsc n LEU 3 CO 0.67 -1.33 0.00 0.61 -1.33 0.00 0.00 177.39 176.01 1xsc n GLY 4 N 1.38 0.72 3.15 -0.72 0.00 -1.26 -5.08 105.19 103.38 1xsc n GLY 4 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1xsc n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xsc s SER 5 N 0.00 -0.94 -0.65 1.61 0.15 -1.26 -5.05 113.70 107.57 1xsc s SER 5 Ca 0.00 0.29 -0.04 0.00 0.70 0.00 0.00 55.95 56.91 1xsc s SER 5 Cb 0.00 1.67 0.13 0.00 -1.71 0.00 0.00 66.02 66.11 1xsc s SER 5 CO 0.00 -0.17 2.56 1.15 1.20 0.00 0.00 173.24 177.98 1xsc n MET 6 N 5.34 2.83 -0.48 5.44 3.85 -1.26 -4.97 117.12 127.88 1xsc n MET 6 Ca 0.02 -2.78 0.06 0.00 -1.00 0.00 0.00 57.70 54.00 1xsc n MET 6 Cb 0.55 -2.23 -0.03 0.00 -1.05 0.00 0.00 33.22 30.45 1xsc n MET 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xsc n ALA 7 N 0.68 -1.26 -2.86 3.17 0.00 -1.26 -4.92 120.51 114.06 1xsc n ALA 7 Ca 0.51 0.30 -0.34 0.00 0.00 0.00 0.00 53.44 53.91 1xsc n ALA 7 Cb 0.45 -0.52 -0.10 0.00 0.00 0.00 0.00 19.45 19.28 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 -5.23 3.64 -0.22 0.00 1.02 0.24 -4.97 118.68 113.16 1xsc s LEU 8 Ca 0.00 0.02 -0.27 0.00 0.02 0.00 0.00 54.13 53.90 1xsc s LEU 8 Cb 0.00 -1.91 -0.00 0.00 0.02 0.00 0.00 46.19 44.30 1xsc s LEU 8 CO 0.00 0.18 0.93 -0.60 0.02 0.00 0.00 176.35 176.88 1xsc s ARG 9 N 0.34 4.25 0.26 1.70 3.52 -1.26 0.63 118.95 128.39 1xsc s ARG 9 Ca 0.01 1.16 0.01 0.00 -0.13 0.00 0.00 55.73 56.78 1xsc s ARG 9 Cb -0.13 -3.63 -0.05 0.00 -1.56 0.00 0.00 34.95 29.59 1xsc s ARG 9 CO 0.01 -0.53 0.11 0.00 -0.81 0.00 0.00 175.30 174.08 1xsc s ALA 10 N 2.86 1.75 -0.29 6.12 0.00 0.27 -1.94 121.76 130.53 1xsc s ALA 10 Ca 0.40 -1.83 -0.12 0.00 0.00 0.00 0.00 51.96 50.41 1xsc s ALA 10 Cb -0.15 1.09 0.11 0.00 0.00 0.00 0.00 23.12 24.16 1xsc s ALA 10 CO 0.08 -0.48 0.65 0.00 0.00 0.00 0.00 175.76 176.02 1xsc s GLY 12 N 2.39 2.58 -0.11 0.00 0.00 0.27 -0.64 107.32 111.81 1xsc s GLY 12 Ca -0.07 -0.94 -0.01 0.00 0.00 0.00 0.00 44.72 43.69 1xsc s GLY 12 CO -0.19 -2.02 -0.01 1.08 0.00 0.00 0.00 173.10 171.95 1xsc s LEU 13 N -4.18 0.89 -0.90 0.66 1.43 -1.01 -3.50 118.68 112.06 1xsc s LEU 13 Ca 0.25 -0.29 -0.20 0.00 -1.03 0.00 0.00 54.13 52.85 1xsc s LEU 13 Cb -0.01 -0.59 0.11 0.00 0.03 0.00 0.00 46.19 45.73 1xsc s LEU 13 CO 0.15 -0.20 1.16 -0.63 0.23 0.00 0.00 176.35 177.07 1xsc s ILE 14 N 1.87 4.51 0.38 -0.59 1.01 0.33 -4.35 121.20 124.36 1xsc s ILE 14 Ca 0.04 -1.23 -0.24 0.00 0.00 0.00 0.00 60.65 59.22 1xsc s ILE 14 Cb -0.13 -4.82 -0.10 0.00 0.01 0.00 0.00 42.46 37.42 1xsc s ILE 14 CO -0.07 -1.58 0.99 -0.63 0.00 0.00 0.00 174.94 173.65 1xsc s ILE 15 N 3.33 4.06 -0.16 2.92 1.01 -1.26 -0.69 121.20 130.41 1xsc s ILE 15 Ca 0.33 1.55 -0.07 0.00 0.00 0.00 0.00 60.65 62.47 1xsc s ILE 15 Cb -0.06 -3.79 0.07 0.00 0.01 0.00 0.00 42.46 38.70 1xsc s ILE 15 CO -0.06 -0.01 0.36 0.72 0.00 0.00 0.00 174.94 175.94 1xsc s PHE 16 N -1.76 -0.61 -0.40 3.97 -0.12 0.82 -1.78 117.98 118.10 1xsc s PHE 16 Ca 0.56 1.25 -0.28 0.00 -0.05 0.00 0.00 56.93 58.41 1xsc s PHE 16 Cb -0.18 0.18 0.02 0.00 -0.63 0.00 0.00 43.02 42.41 1xsc s PHE 16 CO 0.23 -0.39 1.04 -0.98 -0.05 0.00 0.00 175.22 175.06 1xsc s ARG 17 N 2.16 3.83 -0.13 1.99 1.70 0.16 -3.86 118.95 124.80 1xsc s ARG 17 Ca -0.03 0.67 -0.21 0.00 -0.47 0.00 0.00 55.73 55.69 1xsc s ARG 17 Cb -0.11 -3.83 -0.03 0.00 -0.57 0.00 0.00 34.95 30.40 1xsc s ARG 17 CO -0.11 -1.11 0.60 0.50 -1.08 0.00 0.00 175.30 174.10 1xsc s ARG 18 N 3.88 4.33 0.37 3.89 6.06 -1.26 -3.17 118.95 133.05 1xsc s ARG 18 Ca 0.43 0.64 -0.01 0.00 -2.50 0.00 0.00 55.73 54.29 1xsc s ARG 18 Cb -0.10 -3.49 -0.03 0.00 0.06 0.00 0.00 34.95 31.39 1xsc s ARG 18 CO 0.23 -0.00 0.59 0.00 -2.50 0.00 0.00 175.30 173.62 1xsc n LEU 20 N -1.83 1.10 -4.72 0.00 -0.00 -1.26 -4.90 117.00 105.38 1xsc n LEU 20 Ca -0.04 0.24 -0.30 0.00 -0.00 0.00 0.00 56.01 55.91 1xsc n LEU 20 Cb 0.56 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.91 1xsc n LEU 20 CO 0.49 0.00 -0.31 0.27 -0.00 0.00 0.00 177.39 177.85 1xsc s ILE 21 N -0.48 4.21 0.82 1.47 -5.25 -1.26 -5.12 121.20 115.58 1xsc s ILE 21 Ca 0.00 -0.93 -0.11 0.00 -0.99 0.00 0.00 60.65 58.62 1xsc s ILE 21 Cb 0.00 -3.02 0.08 0.00 2.95 0.00 0.00 42.46 42.47 1xsc s ILE 21 CO 0.00 0.11 1.10 -2.84 -1.79 0.00 0.00 174.94 171.51 1xsc s PRO 22 N -2.39 1.92 0.00 0.37 0.02 -1.26 -5.05 135.00 128.60 1xsc s PRO 22 Ca 0.27 0.68 0.00 0.00 0.02 0.00 0.00 61.00 61.97 1xsc s PRO 22 Cb -0.12 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1xsc s PRO 22 CO 0.20 -1.75 0.00 1.63 -0.33 0.00 0.00 177.00 176.75 1xsc n LYS 23 N -3.52 0.00 0.00 5.54 4.01 -1.26 -4.82 118.16 118.10 1xsc n LYS 23 Ca 0.07 0.00 0.13 0.00 -0.51 0.00 0.00 58.31 58.00 1xsc n LYS 23 Cb 0.56 -0.04 0.45 0.00 -0.51 0.00 0.00 35.03 35.48 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 -1.60 0.00 -0.98 -0.18 0.31 -1.26 -4.92 118.33 109.70 1xsc n VAL 24 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1xsc n VAL 24 Cb 0.00 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 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 -1.28 -1.65 0.00 4.52 -0.08 -1.26 -4.90 116.55 111.89 1xsc n ASP 25 Ca 0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 1xsc n ASP 25 Cb 0.32 -0.45 0.00 0.00 2.34 0.00 0.00 41.12 43.33 1xsc n ASP 25 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1xsc n ASN 26 N -0.04 0.00 -4.28 1.67 2.85 -1.26 -5.03 115.26 109.18 1xsc n ASN 26 Ca 0.00 0.12 -0.23 0.00 -0.11 0.00 0.00 54.58 54.35 1xsc n ASN 26 Cb 0.02 -0.48 0.13 0.00 1.24 0.00 0.00 39.78 40.69 1xsc n ASN 26 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1xsc n ASN 27 N -2.34 1.02 0.00 1.20 3.02 -1.26 -4.98 115.26 111.92 1xsc n ASN 27 Ca 0.00 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.61 1xsc n ASN 27 Cb 0.00 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.48 1xsc n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xsc n ALA 28 N -3.11 0.00 -2.40 5.41 0.00 -1.26 -4.71 120.51 114.44 1xsc n ALA 28 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.96 1xsc n ALA 28 Cb 0.56 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.87 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 2.55 -0.02 0.00 1.01 -1.26 -3.65 121.20 119.82 1xsc s ILE 29 Ca 0.00 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 59.71 1xsc s ILE 29 Cb 0.00 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 1xsc s ILE 29 CO 0.00 0.54 -0.17 -1.61 0.00 0.00 0.00 174.94 173.70 1xsc s GLU 30 N -0.81 1.47 0.10 2.79 8.01 -1.19 -4.31 118.70 124.76 1xsc s GLU 30 Ca 0.11 -0.59 0.01 0.00 0.01 0.00 0.00 54.97 54.51 1xsc s GLU 30 Cb -0.10 -1.37 -0.04 0.00 -4.31 0.00 0.00 34.13 28.31 1xsc s GLU 30 CO 0.01 0.32 0.23 -0.06 0.01 0.00 0.00 175.26 175.77 1xsc s PHE 31 N -0.25 3.47 0.05 1.61 0.08 0.44 0.38 117.98 123.75 1xsc s PHE 31 Ca 0.03 0.17 -0.26 0.00 0.12 0.00 0.00 56.93 57.00 1xsc s PHE 31 Cb -0.08 -1.70 -0.05 0.00 -0.57 0.00 0.00 43.02 40.61 1xsc s PHE 31 CO 0.00 0.55 0.80 -1.17 -0.10 0.00 0.00 175.22 175.30 1xsc s LEU 32 N -2.83 4.45 0.01 -0.37 2.96 -0.73 -2.32 118.68 119.85 1xsc s LEU 32 Ca 0.34 1.49 0.03 0.00 -0.22 0.00 0.00 54.13 55.78 1xsc s LEU 32 Cb -0.12 -3.28 -0.01 0.00 0.50 0.00 0.00 46.19 43.27 1xsc s LEU 32 CO 0.28 -0.00 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.44 1xsc s LEU 33 N -0.01 2.08 -0.29 -0.68 1.43 0.45 -4.45 118.68 117.21 1xsc s LEU 33 Ca 0.40 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1xsc s LEU 33 Cb -0.21 -0.47 0.08 0.00 0.03 0.00 0.00 46.19 45.62 1xsc s LEU 33 CO 0.24 0.06 -0.01 -0.76 0.23 0.00 0.00 176.35 176.11 1xsc s LEU 34 N -0.58 3.55 0.27 1.79 1.43 -1.08 -0.09 118.68 123.98 1xsc s LEU 34 Ca 0.02 -1.66 -0.31 0.00 -1.03 0.00 0.00 54.13 51.15 1xsc s LEU 34 Cb -0.05 -1.39 -0.12 0.00 0.03 0.00 0.00 46.19 44.66 1xsc s LEU 34 CO 0.00 -0.30 1.64 1.67 0.23 0.00 0.00 176.35 179.59 1xsc n GLN 35 N 4.48 2.75 -1.61 1.70 7.27 0.89 -2.09 117.38 130.78 1xsc n GLN 35 Ca -0.05 0.98 -0.39 0.00 0.07 0.00 0.00 57.00 57.61 1xsc n GLN 35 Cb 0.43 -2.79 0.04 0.00 2.41 0.00 0.00 30.24 30.32 1xsc n GLN 35 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xsc n ALA 36 N 2.67 0.20 1.96 1.69 0.00 0.11 -2.63 120.51 124.51 1xsc n ALA 36 Ca 0.11 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.75 1xsc n ALA 36 Cb 0.36 -2.10 0.68 0.00 0.00 0.00 0.00 19.45 18.39 1xsc n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xsc n SER 37 N -0.25 0.10 -3.67 0.00 3.41 0.32 -4.28 113.62 109.26 1xsc n SER 37 Ca 0.12 -1.29 0.01 0.00 -0.26 0.00 0.00 58.87 57.45 1xsc n SER 37 Cb 0.44 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1xsc n SER 37 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1xsc s ASP 38 N -1.73 -0.03 0.56 4.04 -4.77 -1.26 -4.86 116.67 108.61 1xsc s ASP 38 Ca 0.35 -0.21 0.00 0.00 -3.30 0.00 0.00 52.55 49.39 1xsc s ASP 38 Cb 0.16 0.19 0.00 0.00 -1.09 0.00 0.00 42.92 42.19 1xsc s ASP 38 CO 0.27 -0.37 0.00 0.61 0.70 0.00 0.00 175.17 176.38 1xsc n GLY 39 N -0.65 0.52 0.07 2.12 0.00 -1.26 -3.61 105.19 102.37 1xsc n GLY 39 Ca -0.04 -0.96 0.14 0.00 0.00 0.00 0.00 46.02 45.16 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 0.01 -2.24 -0.61 3.06 -1.26 -4.88 119.36 113.43 1xsc n ILE 40 Ca 0.00 -0.04 -0.17 0.00 -2.50 0.00 0.00 62.75 60.05 1xsc n ILE 40 Cb 0.00 -0.33 -0.01 0.00 0.54 0.00 0.00 39.64 39.84 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 -0.80 -0.73 -2.01 9.51 8.25 -1.24 -4.95 115.22 123.26 1xsc n HIS 41 Ca 0.21 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.29 1xsc n HIS 41 Cb 0.13 -3.34 0.02 0.00 1.12 0.00 0.00 29.99 27.92 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 -2.82 2.56 -0.17 4.41 -3.43 -1.26 -4.31 115.29 110.28 1xsc s HIS 42 Ca 0.00 1.45 -0.12 0.00 -0.80 0.00 0.00 55.06 55.59 1xsc s HIS 42 Cb 0.00 -3.60 -0.05 0.00 -1.43 0.00 0.00 32.58 27.51 1xsc s HIS 42 CO 0.00 -2.24 0.24 -1.58 -2.00 0.00 0.00 174.74 169.16 1xsc s TRP 43 N -1.42 3.45 -0.18 0.38 0.52 -1.24 0.10 118.94 120.55 1xsc s TRP 43 Ca 0.68 0.52 -0.14 0.00 0.02 0.00 0.00 56.10 57.18 1xsc s TRP 43 Cb -0.35 -2.27 0.05 0.00 -1.15 0.00 0.00 33.47 29.75 1xsc s TRP 43 CO 0.41 0.27 0.45 0.95 0.02 0.00 0.00 176.95 179.06 1xsc s THR 44 N 0.37 -0.01 1.37 2.01 -4.23 -0.89 -4.13 115.64 110.13 1xsc s THR 44 Ca 0.14 0.03 -0.22 0.00 -1.18 0.00 0.00 61.69 60.46 1xsc s THR 44 Cb -0.12 -0.64 0.34 0.00 1.34 0.00 0.00 72.50 73.41 1xsc s THR 44 CO 0.02 0.01 0.76 -0.81 -0.54 0.00 0.00 174.62 174.07 1xsc n PRO 45 N 3.36 -4.31 -1.84 3.99 -0.04 -1.26 -2.63 135.00 132.27 1xsc n PRO 45 Ca -0.17 -1.28 -0.42 0.00 -0.04 0.00 0.00 63.50 61.59 1xsc n PRO 45 Cb 0.56 -1.81 -0.03 0.00 -0.04 0.00 0.00 33.50 32.19 1xsc n PRO 45 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1xsc s PRO 46 N -4.70 3.89 -0.16 0.54 0.02 -1.26 -4.79 135.00 128.53 1xsc s PRO 46 Ca 0.59 2.20 -0.04 0.00 0.02 0.00 0.00 61.00 63.77 1xsc s PRO 46 Cb -0.11 -4.13 -0.03 0.00 0.02 0.00 0.00 34.50 30.26 1xsc s PRO 46 CO 0.50 -1.21 -0.03 0.15 -0.33 0.00 0.00 177.00 176.08 1xsc s LYS 47 N 4.75 3.67 0.45 5.54 1.02 -1.26 -2.42 119.74 131.49 1xsc s LYS 47 Ca 0.83 -0.51 0.05 0.00 0.02 0.00 0.00 55.97 56.36 1xsc s LYS 47 Cb -0.35 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 33.97 1xsc s LYS 47 CO 0.35 0.20 0.09 0.20 -0.92 0.00 0.00 175.35 175.27 1xsc s GLY 48 N 0.48 2.61 -0.40 -3.33 0.00 0.19 -4.88 107.32 101.99 1xsc s GLY 48 Ca -0.03 -1.57 -0.06 0.00 0.00 0.00 0.00 44.72 43.06 1xsc s GLY 48 CO 0.03 -2.06 0.21 0.30 0.00 0.00 0.00 173.10 171.57 1xsc s HIS 49 N -2.74 3.42 -0.21 1.90 3.76 -1.26 -1.67 115.29 118.49 1xsc s HIS 49 Ca 0.28 -1.90 -0.23 0.00 -0.15 0.00 0.00 55.06 53.06 1xsc s HIS 49 Cb 0.05 -2.96 -0.02 0.00 1.11 0.00 0.00 32.58 30.76 1xsc s HIS 49 CO 0.15 -0.89 0.74 0.54 -0.85 0.00 0.00 174.74 174.43 1xsc s VAL 50 N 1.30 4.92 0.25 -0.90 0.11 -0.82 -4.93 120.40 120.34 1xsc s VAL 50 Ca 0.04 1.41 -0.04 0.00 -2.93 0.00 0.00 61.98 60.46 1xsc s VAL 50 Cb -0.23 -4.05 -0.05 0.00 -1.53 0.00 0.00 36.38 30.53 1xsc s VAL 50 CO -0.01 0.02 0.49 -0.70 -3.33 0.00 0.00 175.10 171.58 1xsc s GLU 51 N 2.35 3.61 0.29 1.54 2.12 -1.26 -4.48 118.70 122.87 1xsc s GLU 51 Ca 0.33 -0.09 -0.00 0.00 0.36 0.00 0.00 54.97 55.57 1xsc s GLU 51 Cb -0.16 -2.72 0.68 0.00 0.26 0.00 0.00 34.13 32.20 1xsc s GLU 51 CO 0.10 0.29 1.60 -1.35 -0.54 0.00 0.00 175.26 175.35 1xsc h PRO 52 N 1.91 0.06 0.00 4.30 0.10 -1.97 0.99 132.00 137.39 1xsc h PRO 52 Ca -0.48 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.62 1xsc h PRO 52 Cb 1.19 -0.01 0.00 0.00 0.10 0.00 0.00 31.00 32.27 1xsc h PRO 52 CO 0.67 0.04 -0.09 0.41 0.10 0.00 0.00 178.00 179.13 1xsc n GLY 53 N -1.46 -1.52 3.91 -0.55 0.00 -1.26 -4.87 105.19 99.44 1xsc n GLY 53 Ca 0.21 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.03 2.97 0.51 1.61 2.12 0.34 -5.08 118.70 118.14 1xsc s GLU 54 Ca 0.12 0.09 -0.08 0.00 0.36 0.00 0.00 54.97 55.47 1xsc s GLU 54 Cb 0.17 -2.24 -0.04 0.00 0.26 0.00 0.00 34.13 32.28 1xsc s GLU 54 CO 0.58 -0.71 0.85 0.34 -0.54 0.00 0.00 175.26 175.78 1xsc s ASP 55 N -4.30 6.29 -0.01 -1.70 -1.08 -1.26 -4.65 116.67 109.96 1xsc s ASP 55 Ca 0.54 1.10 -0.06 0.00 -0.52 0.00 0.00 52.55 53.61 1xsc s ASP 55 Cb -0.11 -2.32 -0.03 0.00 -1.46 0.00 0.00 42.92 39.00 1xsc s ASP 55 CO 0.46 -0.63 0.52 0.44 0.52 0.00 0.00 175.17 176.48 1xsc h ASP 56 N 0.22 -0.18 -0.97 -0.34 5.19 -1.98 -3.09 116.42 115.28 1xsc h ASP 56 Ca -0.46 0.01 0.02 0.00 -0.62 0.00 0.00 57.03 55.98 1xsc h ASP 56 Cb 1.20 0.05 -0.05 0.00 0.18 0.00 0.00 39.33 40.70 1xsc h ASP 56 CO 0.62 -0.03 0.64 0.25 -3.12 0.00 0.00 179.24 177.60 1xsc h LEU 57 N -0.41 1.08 -0.48 1.55 5.85 -1.97 -2.70 115.31 118.22 1xsc h LEU 57 Ca -0.02 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.78 1xsc h LEU 57 Cb 0.16 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 40.84 1xsc h LEU 57 CO 0.04 0.76 -0.15 -0.33 -0.34 0.00 0.00 178.44 178.41 1xsc h GLU 58 N 1.26 -0.04 -0.79 1.25 5.08 -1.98 1.19 114.58 120.56 1xsc h GLU 58 Ca 0.37 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.85 1xsc h GLU 58 Cb -0.06 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.14 1xsc h GLU 58 CO -0.10 -0.02 0.52 1.15 -1.00 0.00 0.00 179.01 179.55 1xsc h THR 59 N -0.04 0.90 -0.00 1.13 2.02 -1.39 1.31 112.91 116.84 1xsc h THR 59 Ca 0.23 -0.22 -0.19 0.00 0.77 0.00 0.00 66.41 67.00 1xsc h THR 59 Cb 0.39 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1xsc h THR 59 CO -0.51 0.12 -0.86 0.00 0.37 0.00 0.00 175.52 174.63 1xsc h ALA 60 N 1.62 0.54 0.11 6.16 0.00 -0.25 -2.11 119.26 125.33 1xsc h ALA 60 Ca 0.37 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1xsc h ALA 60 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xsc h ALA 60 CO -0.14 0.91 -0.05 -0.07 0.00 0.00 0.00 179.25 179.89 1xsc h LEU 61 N 0.11 -0.13 -0.68 0.00 3.38 0.46 -2.60 115.31 115.86 1xsc h LEU 61 Ca -0.04 -0.45 0.04 0.00 0.09 0.00 0.00 57.88 57.53 1xsc h LEU 61 Cb 1.48 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 42.21 1xsc h LEU 61 CO 0.13 0.47 0.41 -0.09 0.09 0.00 0.00 178.44 179.45 1xsc h ARG 62 N -0.82 0.76 -0.48 1.13 2.43 0.14 -0.97 114.38 116.57 1xsc h ARG 62 Ca -0.02 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1xsc h ARG 62 Cb 0.56 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1xsc h ARG 62 CO 0.02 0.50 0.32 0.00 -1.51 0.00 0.00 179.97 179.30 1xsc h ALA 63 N 1.31 1.68 0.33 2.80 0.00 -1.46 0.31 119.26 124.24 1xsc h ALA 63 Ca 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1xsc h ALA 63 Cb 0.09 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xsc h ALA 63 CO -0.14 0.29 -0.18 1.15 0.00 0.00 0.00 179.25 180.37 1xsc h THR 64 N 0.63 0.62 0.00 0.00 2.02 -0.76 0.69 112.91 116.10 1xsc h THR 64 Ca 0.18 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 1xsc h THR 64 Cb -0.04 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1xsc h THR 64 CO -0.04 0.00 -0.10 0.06 0.37 0.00 0.00 175.52 175.81 1xsc h GLN 65 N -0.48 0.00 0.12 6.66 3.07 0.21 0.94 115.11 125.64 1xsc h GLN 65 Ca -0.04 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.43 1xsc h GLN 65 Cb 0.39 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.96 1xsc h GLN 65 CO 0.05 0.10 -1.22 0.93 0.09 0.00 0.00 178.83 178.79 1xsc h GLU 66 N 0.00 0.34 -0.20 0.06 5.08 0.11 0.70 114.58 120.67 1xsc h GLU 66 Ca -0.00 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1xsc h GLU 66 Cb 0.78 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1xsc h GLU 66 CO 0.01 1.23 0.00 0.39 -1.00 0.00 0.00 179.01 179.64 1xsc n GLU 67 N -3.60 2.02 0.00 2.33 1.02 0.23 -4.18 120.64 118.46 1xsc n GLU 67 Ca -0.09 -1.66 0.00 0.00 -0.02 0.00 0.00 57.16 55.39 1xsc n GLU 67 Cb 1.00 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 31.21 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 0.41 0.00 -0.68 0.62 0.00 0.32 -4.13 120.51 117.04 1xsc n ALA 68 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1xsc n ALA 68 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 1.37 3.65 0.00 0.00 0.24 0.10 105.19 110.55 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 -3.40 5.30 0.37 -0.61 1.01 -1.21 -4.70 121.20 117.95 1xsc s ILE 70 Ca 0.00 0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.88 1xsc s ILE 70 Cb 0.00 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 1xsc s ILE 70 CO 0.00 0.34 0.27 -1.83 0.00 0.00 0.00 174.94 173.72 1xsc s GLU 71 N 1.09 2.52 0.37 2.79 -1.05 -1.26 0.28 118.70 123.43 1xsc s GLU 71 Ca 0.07 -1.49 0.17 0.00 -0.15 0.00 0.00 54.97 53.57 1xsc s GLU 71 Cb -0.14 -2.32 1.12 0.00 -0.44 0.00 0.00 34.13 32.35 1xsc s GLU 71 CO 0.05 -0.01 1.69 0.00 0.95 0.00 0.00 175.26 177.94 1xsc h ALA 72 N 1.28 2.12 0.00 -0.84 0.00 -1.89 1.43 119.26 121.36 1xsc h ALA 72 Ca -0.43 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xsc h ALA 72 Cb 1.26 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1xsc h ALA 72 CO 0.60 -0.67 -0.02 0.78 0.00 0.00 0.00 179.25 179.95 1xsc h GLY 73 N 0.34 0.00 -0.42 0.00 0.00 -1.99 -2.20 103.07 98.80 1xsc h GLY 73 Ca 0.70 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.03 1xsc h GLY 73 CO -0.49 0.00 -0.47 -0.18 0.00 0.00 0.00 176.54 175.40 1xsc n GLN 74 N -3.14 0.91 -1.76 4.80 -0.06 0.48 -4.97 117.38 113.64 1xsc n GLN 74 Ca -0.00 -0.69 0.00 0.00 -2.00 0.00 0.00 57.00 54.31 1xsc n GLN 74 Cb 0.27 -1.49 0.00 0.00 -4.06 0.00 0.00 30.24 24.97 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 -0.44 0.00 -3.61 1.69 -0.00 -0.64 -1.59 117.00 112.40 1xsc n LEU 75 Ca 0.09 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.81 1xsc n LEU 75 Cb 0.41 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.68 1xsc n LEU 75 CO 0.30 0.00 -0.33 -0.89 -0.00 0.00 0.00 177.39 176.46 1xsc s THR 76 N -1.49 0.27 -0.02 1.47 2.01 0.16 -4.79 115.64 113.24 1xsc s THR 76 Ca 0.00 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 60.76 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 -0.68 1.30 -0.63 -0.69 0.00 0.00 174.62 173.93 1xsc s ILE 77 N 1.93 3.97 -0.00 1.82 -1.09 -1.26 -1.49 121.20 125.08 1xsc s ILE 77 Ca 0.09 1.32 -0.23 0.00 -2.23 0.00 0.00 60.65 59.60 1xsc s ILE 77 Cb -0.16 -3.85 -0.05 0.00 -1.58 0.00 0.00 42.46 36.82 1xsc s ILE 77 CO -0.31 -0.00 0.69 -0.63 -1.23 0.00 0.00 174.94 173.46 1xsc s ILE 78 N 2.29 4.88 0.24 2.92 1.09 0.29 -4.97 121.20 127.94 1xsc s ILE 78 Ca 0.60 1.45 -0.07 0.00 -1.10 0.00 0.00 60.65 61.53 1xsc s ILE 78 Cb -0.28 -4.03 -0.06 0.00 -1.06 0.00 0.00 42.46 37.02 1xsc s ILE 78 CO 0.24 0.35 0.52 -1.61 -0.10 0.00 0.00 174.94 174.35 1xsc s GLU 79 N 0.14 3.70 0.00 2.79 2.02 -1.26 -4.26 118.70 121.83 1xsc s GLU 79 Ca 0.36 0.11 0.00 0.00 0.02 0.00 0.00 54.97 55.45 1xsc s GLU 79 Cb -0.19 -2.68 0.00 0.00 0.10 0.00 0.00 34.13 31.36 1xsc s GLU 79 CO 0.20 0.30 0.00 0.41 0.02 0.00 0.00 175.26 176.18 1xsc n GLY 80 N -0.43 3.38 3.60 -1.39 0.00 -1.26 -5.04 105.19 104.05 1xsc n GLY 80 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.97 3.16 -0.24 1.61 2.19 -1.26 -5.09 117.98 115.38 1xsc s PHE 81 Ca 0.00 -0.03 -0.15 0.00 0.33 0.00 0.00 56.93 57.08 1xsc s PHE 81 Cb 0.00 -1.99 0.07 0.00 -1.31 0.00 0.00 43.02 39.79 1xsc s PHE 81 CO 0.00 0.15 0.60 0.21 1.83 0.00 0.00 175.22 178.01 1xsc s LYS 82 N 0.14 0.63 -0.26 10.12 2.47 -1.26 -4.77 119.74 126.81 1xsc s LYS 82 Ca 0.02 1.04 -0.24 0.00 -1.56 0.00 0.00 55.97 55.24 1xsc s LYS 82 Cb -0.13 0.14 0.07 0.00 -1.46 0.00 0.00 37.83 36.45 1xsc s LYS 82 CO 0.02 -0.14 0.70 0.50 0.16 0.00 0.00 175.35 176.58 1xsc s ARG 83 N 1.33 0.81 -0.05 4.03 6.06 -1.24 -5.02 118.95 124.86 1xsc s ARG 83 Ca -0.08 0.98 0.04 0.00 -2.50 0.00 0.00 55.73 54.17 1xsc s ARG 83 Cb -0.06 0.38 -0.00 0.00 0.06 0.00 0.00 34.95 35.33 1xsc s ARG 83 CO -0.14 -0.10 -0.16 -1.83 -2.50 0.00 0.00 175.30 170.56 1xsc s GLU 84 N 0.45 1.79 -0.28 5.12 1.03 -1.25 0.88 118.70 126.44 1xsc s GLU 84 Ca -0.01 -0.58 -0.17 0.00 0.03 0.00 0.00 54.97 54.24 1xsc s GLU 84 Cb -0.05 -1.53 -0.02 0.00 -0.80 0.00 0.00 34.13 31.72 1xsc s GLU 84 CO -0.00 0.20 0.49 -0.51 -1.33 0.00 0.00 175.26 174.11 1xsc s LEU 85 N 0.15 4.12 -0.18 1.83 1.43 0.33 -4.76 118.68 121.60 1xsc s LEU 85 Ca -0.06 0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 53.36 1xsc s LEU 85 Cb -0.12 -2.61 -0.02 0.00 0.03 0.00 0.00 46.19 43.47 1xsc s LEU 85 CO 0.03 -0.32 -0.05 0.20 0.23 0.00 0.00 176.35 176.43 1xsc s ASN 86 N 1.62 4.47 -0.24 2.29 0.01 -1.26 -0.74 114.94 121.09 1xsc s ASN 86 Ca 0.20 -0.27 -0.26 0.00 -0.71 0.00 0.00 52.86 51.81 1xsc s ASN 86 Cb -0.16 -1.74 0.11 0.00 0.41 0.00 0.00 41.25 39.88 1xsc s ASN 86 CO 0.10 0.09 0.97 -0.72 -1.51 0.00 0.00 177.10 176.03 1xsc s TYR 87 N 0.85 -0.50 -0.42 2.20 -0.85 -1.21 -4.96 117.35 112.46 1xsc s TYR 87 Ca -0.01 1.13 -0.28 0.00 -0.52 0.00 0.00 57.07 57.39 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 -0.29 1.04 0.54 -1.52 0.00 0.00 175.55 175.34 1xsc s VAL 88 N -0.12 4.40 0.00 -3.49 0.11 -1.26 -1.01 120.40 119.03 1xsc s VAL 88 Ca 0.01 1.25 0.00 0.00 -2.93 0.00 0.00 61.98 60.31 1xsc s VAL 88 Cb -0.04 -4.48 0.00 0.00 -1.53 0.00 0.00 36.38 30.33 1xsc s VAL 88 CO -0.03 -0.77 0.00 0.00 -3.33 0.00 0.00 175.10 170.97 1xsc n ALA 89 N 7.30 0.00 -0.02 1.54 0.00 -0.80 -4.68 120.51 123.84 1xsc n ALA 89 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.48 1xsc n ALA 89 Cb 0.48 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.07 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 0.59 0.00 0.00 -0.00 -2.04 -3.42 114.38 109.52 1xsc h ARG 90 Ca 0.00 -0.25 -0.00 0.00 -0.00 0.00 0.00 59.98 59.73 1xsc h ARG 90 Cb 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 29.95 1xsc h ARG 90 CO 0.00 0.81 -0.00 -1.71 -0.00 0.00 0.00 179.97 179.07 1xsc n ASN 91 N -4.09 -0.00 -3.65 0.08 4.05 -1.26 -5.14 115.26 105.24 1xsc n ASN 91 Ca -0.01 -0.01 -0.05 0.00 0.45 0.00 0.00 54.58 54.96 1xsc n ASN 91 Cb 0.44 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.39 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 0.61 -0.18 1.20 2.47 -1.26 -5.09 119.74 117.48 1xsc s LYS 92 Ca 0.00 1.25 -0.29 0.00 -1.56 0.00 0.00 55.97 55.36 1xsc s LYS 92 Cb 0.00 0.38 -0.03 0.00 -1.46 0.00 0.00 37.83 36.72 1xsc s LYS 92 CO 0.00 -0.17 1.56 -1.25 0.16 0.00 0.00 175.35 175.65 1xsc s PRO 93 N 2.10 3.93 -0.25 4.03 0.04 -1.26 -1.91 135.00 141.69 1xsc s PRO 93 Ca -0.08 1.75 -0.11 0.00 0.04 0.00 0.00 61.00 62.60 1xsc s PRO 93 Cb -0.08 -3.98 -0.05 0.00 0.04 0.00 0.00 34.50 30.43 1xsc s PRO 93 CO -0.18 -1.12 0.18 0.15 0.04 0.00 0.00 177.00 176.06 1xsc s LYS 94 N 4.37 4.03 -0.37 4.56 -0.14 -0.18 0.83 119.74 132.84 1xsc s LYS 94 Ca 0.69 -0.27 -0.22 0.00 -1.36 0.00 0.00 55.97 54.80 1xsc s LYS 94 Cb -0.26 -3.58 0.01 0.00 -1.68 0.00 0.00 37.83 32.32 1xsc s LYS 94 CO 0.27 -0.03 0.74 0.99 -0.76 0.00 0.00 175.35 176.55 1xsc s THR 95 N 1.33 4.78 -0.33 2.17 2.01 0.21 -3.35 115.64 122.44 1xsc s THR 95 Ca 0.08 0.75 -0.03 0.00 0.31 0.00 0.00 61.69 62.80 1xsc s THR 95 Cb -0.14 -4.17 0.06 0.00 0.01 0.00 0.00 72.50 68.25 1xsc s THR 95 CO 0.07 -0.41 0.07 -0.69 -0.69 0.00 0.00 174.62 172.96 1xsc s VAL 96 N 2.98 3.28 -0.09 3.82 1.01 0.08 0.96 120.40 132.45 1xsc s VAL 96 Ca 0.29 -1.43 -0.24 0.00 0.00 0.00 0.00 61.98 60.61 1xsc s VAL 96 Cb -0.14 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 1xsc s VAL 96 CO 0.17 -0.23 0.72 -0.63 0.00 0.00 0.00 175.10 175.12 1xsc s ILE 97 N 1.28 5.02 -0.12 2.22 -1.09 -1.15 0.12 121.20 127.47 1xsc s ILE 97 Ca -0.02 1.47 0.02 0.00 -2.23 0.00 0.00 60.65 59.89 1xsc s ILE 97 Cb -0.20 -4.05 -0.00 0.00 -1.58 0.00 0.00 42.46 36.62 1xsc s ILE 97 CO -0.00 0.21 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.41 1xsc s TYR 98 N 1.08 2.67 0.38 3.97 2.02 0.25 0.96 117.35 128.68 1xsc s TYR 98 Ca 0.37 -0.99 0.08 0.00 -0.37 0.00 0.00 57.07 56.16 1xsc s TYR 98 Cb -0.18 -1.79 -0.04 0.00 -0.40 0.00 0.00 41.96 39.56 1xsc s TYR 98 CO 0.17 -0.40 0.24 -1.58 -1.57 0.00 0.00 175.55 172.40 1xsc s TRP 99 N 0.48 2.72 -0.38 2.71 0.51 -1.23 -3.68 118.94 120.08 1xsc s TRP 99 Ca -0.13 -0.44 -0.12 0.00 -2.12 0.00 0.00 56.10 53.28 1xsc s TRP 99 Cb -0.17 -1.88 0.02 0.00 -0.81 0.00 0.00 33.47 30.63 1xsc s TRP 99 CO 0.05 0.16 0.23 -0.51 -0.51 0.00 0.00 176.95 176.37 1xsc s LEU 100 N -3.96 4.76 0.19 2.99 1.43 -1.25 0.12 118.68 122.96 1xsc s LEU 100 Ca 0.42 -0.90 0.11 0.00 -1.03 0.00 0.00 54.13 52.73 1xsc s LEU 100 Cb -0.02 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1xsc s LEU 100 CO 0.25 -0.38 -0.19 0.00 0.23 0.00 0.00 176.35 176.26 1xsc s ALA 101 N 1.60 2.67 -0.15 4.21 0.00 0.14 0.11 121.76 130.33 1xsc s ALA 101 Ca 0.03 -1.60 -0.01 0.00 0.00 0.00 0.00 51.96 50.38 1xsc s ALA 101 Cb -0.19 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 22.52 1xsc s ALA 101 CO 0.08 0.44 -0.03 -2.00 0.00 0.00 0.00 175.76 174.24 1xsc s GLU 102 N -2.75 1.18 -0.10 0.00 2.12 -0.55 0.29 118.70 118.88 1xsc s GLU 102 Ca 0.22 -0.40 -0.30 0.00 0.36 0.00 0.00 54.97 54.86 1xsc s GLU 102 Cb -0.08 -1.85 -0.03 0.00 0.26 0.00 0.00 34.13 32.43 1xsc s GLU 102 CO 0.12 -0.44 1.30 0.14 -0.54 0.00 0.00 175.26 175.83 1xsc s VAL 103 N 1.72 4.14 0.55 3.70 -7.23 -1.25 0.39 120.40 122.42 1xsc s VAL 103 Ca 0.01 1.42 0.32 0.00 -1.81 0.00 0.00 61.98 61.92 1xsc s VAL 103 Cb -0.15 -3.92 0.36 0.00 0.56 0.00 0.00 36.38 33.23 1xsc s VAL 103 CO -0.07 -0.07 2.23 0.07 -0.31 0.00 0.00 175.10 176.94 1xsc h LYS 104 N 8.06 0.00 -4.86 4.82 -0.00 -1.61 -3.40 116.57 119.57 1xsc h LYS 104 Ca -0.31 0.00 -0.66 0.00 -0.00 0.00 0.00 60.65 59.68 1xsc h LYS 104 Cb 1.14 0.00 -0.22 0.00 -0.00 0.00 0.00 32.23 33.15 1xsc h LYS 104 CO 0.93 0.03 -0.58 0.34 -0.00 0.00 0.00 179.45 180.17 1xsc s ASP 105 N -5.97 5.46 0.22 7.07 2.15 -1.26 -4.97 116.67 119.36 1xsc s ASP 105 Ca -0.04 -0.33 -0.08 0.00 0.43 0.00 0.00 52.55 52.52 1xsc s ASP 105 Cb 0.14 -1.99 0.26 0.00 -0.30 0.00 0.00 42.92 41.03 1xsc s ASP 105 CO 0.53 -0.11 1.84 0.22 -0.17 0.00 0.00 175.17 177.48 1xsc h TYR 106 N 8.31 0.86 -0.76 -5.34 3.20 -2.00 -0.26 116.97 120.98 1xsc h TYR 106 Ca -0.35 0.03 -0.26 0.00 3.14 0.00 0.00 58.73 61.29 1xsc h TYR 106 Cb 1.16 -0.28 -0.15 0.00 1.54 0.00 0.00 36.73 39.00 1xsc h TYR 106 CO 0.67 0.45 0.32 -3.47 -1.64 0.00 0.00 178.16 174.49 1xsc n ASP 107 N -4.67 4.59 -4.44 -2.11 -0.08 -1.26 -5.01 116.55 103.56 1xsc n ASP 107 Ca 0.10 -3.30 -0.45 0.00 -1.51 0.00 0.00 54.79 49.63 1xsc n ASP 107 Cb 0.14 -0.75 -0.01 0.00 2.34 0.00 0.00 41.12 42.83 1xsc n ASP 107 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1xsc n VAL 108 N -0.35 1.75 -1.94 5.18 3.14 -0.11 -4.85 118.33 121.15 1xsc n VAL 108 Ca 0.43 -0.50 -0.40 0.00 -2.96 0.00 0.00 64.34 60.92 1xsc n VAL 108 Cb 1.42 -0.38 0.00 0.00 -1.06 0.00 0.00 33.84 33.82 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 -1.29 3.88 -0.38 1.45 1.03 -1.26 -5.00 118.70 117.13 1xsc s GLU 109 Ca 0.62 2.28 0.04 0.00 0.03 0.00 0.00 54.97 57.94 1xsc s GLU 109 Cb -0.74 -2.74 0.11 0.00 -0.80 0.00 0.00 34.13 29.95 1xsc s GLU 109 CO 0.58 -0.61 0.11 0.42 -1.33 0.00 0.00 175.26 174.43 1xsc s ILE 110 N -1.23 2.24 -0.50 1.83 -1.09 -1.24 -4.36 121.20 116.85 1xsc s ILE 110 Ca 0.58 -2.52 -0.14 0.00 -2.23 0.00 0.00 60.65 56.34 1xsc s ILE 110 Cb -0.41 -2.63 0.11 0.00 -1.58 0.00 0.00 42.46 37.95 1xsc s ILE 110 CO 0.53 -0.66 0.42 -0.13 -1.23 0.00 0.00 174.94 173.87 1xsc s ARG 111 N 0.65 2.84 0.76 2.79 0.52 0.28 -4.86 118.95 121.94 1xsc s ARG 111 Ca 0.12 -1.61 -0.02 0.00 -0.52 0.00 0.00 55.73 53.70 1xsc s ARG 111 Cb -0.21 -4.13 0.15 0.00 0.52 0.00 0.00 34.95 31.28 1xsc s ARG 111 CO -0.07 -1.19 1.05 -0.51 0.02 0.00 0.00 175.30 174.59 1xsc s LEU 112 N 1.54 2.93 0.00 2.53 1.43 -1.26 -0.44 118.68 125.40 1xsc s LEU 112 Ca 0.04 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1xsc s LEU 112 Cb -0.27 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.05 1xsc s LEU 112 CO 0.03 -2.03 0.00 -0.24 0.23 0.00 0.00 176.35 174.34 1xsc n SER 113 N -2.97 1.10 0.00 2.29 2.88 -1.26 -4.87 113.62 110.79 1xsc n SER 113 Ca 0.16 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.84 1xsc n SER 113 Cb 0.61 0.00 0.78 0.00 -0.75 0.00 0.00 64.21 64.85 1xsc n SER 113 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1xsc n HIS 114 N 0.00 0.00 0.06 0.66 8.25 -1.26 -3.04 115.22 119.88 1xsc n HIS 114 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.52 1xsc n HIS 114 Cb 0.00 -0.17 -0.06 0.00 1.12 0.00 0.00 29.99 30.88 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 -1.17 0.62 -3.82 -0.41 1.02 -1.26 -4.67 120.64 110.95 1xsc n GLU 115 Ca 0.17 0.11 -0.26 0.00 -0.02 0.00 0.00 57.16 57.16 1xsc n GLU 115 Cb 0.18 -1.77 -0.17 0.00 -0.02 0.00 0.00 31.44 29.66 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 -3.19 1.19 -1.90 -0.32 3.76 -1.17 -0.52 115.29 113.14 1xsc s HIS 116 Ca -0.03 -0.67 0.28 0.00 -0.15 0.00 0.00 55.06 54.49 1xsc s HIS 116 Cb 0.10 -1.07 1.06 0.00 1.11 0.00 0.00 32.58 33.77 1xsc s HIS 116 CO 0.81 -0.50 1.75 0.00 -0.85 0.00 0.00 174.74 175.95 1xsc n GLN 117 N 5.01 0.98 -3.61 1.40 -0.00 -1.08 -4.02 117.38 116.06 1xsc n GLN 117 Ca -0.10 -0.48 -0.05 0.00 -0.00 0.00 0.00 57.00 56.37 1xsc n GLN 117 Cb 0.49 -1.49 -0.02 0.00 -0.00 0.00 0.00 30.24 29.22 1xsc n GLN 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xsc s ALA 118 N -2.35 -1.84 0.18 2.61 0.00 -1.25 -5.03 121.76 114.08 1xsc s ALA 118 Ca 0.30 0.74 -0.02 0.00 0.00 0.00 0.00 51.96 52.99 1xsc s ALA 118 Cb 0.20 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 1xsc s ALA 118 CO 0.45 -0.84 0.14 1.52 0.00 0.00 0.00 175.76 177.04 1xsc s TYR 119 N -3.03 0.95 0.14 0.00 1.13 -1.26 -0.07 117.35 115.21 1xsc s TYR 119 Ca 0.09 -1.24 -0.19 0.00 -1.41 0.00 0.00 57.07 54.31 1xsc s TYR 119 Cb -0.01 -0.45 0.05 0.00 -1.10 0.00 0.00 41.96 40.46 1xsc s TYR 119 CO -0.04 -0.63 0.49 1.03 -2.51 0.00 0.00 175.55 173.89 1xsc s ARG 120 N -4.10 1.16 -0.26 -3.49 0.52 0.88 -4.92 118.95 108.74 1xsc s ARG 120 Ca 0.31 -0.59 0.02 0.00 -0.52 0.00 0.00 55.73 54.95 1xsc s ARG 120 Cb 0.06 0.52 0.07 0.00 0.52 0.00 0.00 34.95 36.12 1xsc s ARG 120 CO 0.08 -0.48 -0.04 -1.58 0.02 0.00 0.00 175.30 173.30 1xsc s TRP 121 N -3.72 2.71 0.28 -0.53 0.52 -1.26 -0.41 118.94 116.53 1xsc s TRP 121 Ca 0.02 -2.05 0.02 0.00 0.02 0.00 0.00 56.10 54.10 1xsc s TRP 121 Cb 0.01 -1.86 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 1xsc s TRP 121 CO -0.12 -0.83 0.14 -0.51 0.02 0.00 0.00 176.95 175.65 1xsc s LEU 122 N 1.28 1.58 0.00 2.99 1.02 -0.98 -4.88 118.68 119.69 1xsc s LEU 122 Ca -0.03 -1.49 0.00 0.00 0.02 0.00 0.00 54.13 52.63 1xsc s LEU 122 Cb -0.19 0.20 0.00 0.00 0.02 0.00 0.00 46.19 46.22 1xsc s LEU 122 CO -0.08 -0.85 0.00 0.61 0.02 0.00 0.00 176.35 176.06 1xsc n GLY 123 N -0.50 -0.00 0.15 -3.19 0.00 -1.26 0.17 105.19 100.55 1xsc n GLY 123 Ca 0.01 -1.51 -0.20 0.00 0.00 0.00 0.00 46.02 44.32 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 0.68 0.01 0.99 5.85 -1.92 -1.21 115.31 119.71 1xsc h LEU 124 Ca 0.00 -0.81 -0.00 0.00 0.84 0.00 0.00 57.88 57.91 1xsc h LEU 124 Cb 0.00 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.82 1xsc h LEU 124 CO 0.00 1.42 -0.00 1.05 -0.34 0.00 0.00 178.44 180.57 1xsc h GLU 125 N 0.04 -0.01 -0.07 1.25 4.11 -1.97 0.61 114.58 118.53 1xsc h GLU 125 Ca -0.13 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.24 1xsc h GLU 125 Cb 1.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.87 1xsc h GLU 125 CO 0.17 0.03 -0.20 0.93 0.07 0.00 0.00 179.01 180.02 1xsc h GLU 126 N -0.05 0.26 -0.62 1.06 3.07 -1.92 0.34 114.58 116.72 1xsc h GLU 126 Ca -0.00 -0.19 0.17 0.00 -0.50 0.00 0.00 59.36 58.84 1xsc h GLU 126 Cb 0.05 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 1xsc h GLU 126 CO 0.00 0.80 0.44 0.00 -1.40 0.00 0.00 179.01 178.86 1xsc h ALA 127 N 0.46 2.50 0.09 3.43 0.00 -1.19 0.25 119.26 124.80 1xsc h ALA 127 Ca -0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 1xsc h ALA 127 Cb 0.82 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1xsc h ALA 127 CO 0.04 -0.68 -1.44 0.00 0.00 0.00 0.00 179.25 177.17 1xsc h GLN 129 N 0.05 1.04 0.05 0.00 -0.00 0.29 -3.05 115.11 113.49 1xsc h GLN 129 Ca -0.20 -0.18 -0.12 0.00 -0.00 0.00 0.00 58.65 58.14 1xsc h GLN 129 Cb 1.98 -0.17 0.01 0.00 -0.00 0.00 0.00 27.48 29.30 1xsc h GLN 129 CO 0.16 0.85 -0.52 -0.07 -0.00 0.00 0.00 178.83 179.25 1xsc h LEU 130 N 0.99 0.37 -4.47 0.06 3.38 -1.02 -3.31 115.31 111.31 1xsc h LEU 130 Ca 0.23 -0.87 -0.33 0.00 0.09 0.00 0.00 57.88 57.01 1xsc h LEU 130 Cb 0.19 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1xsc h LEU 130 CO -0.02 1.20 1.15 0.00 0.09 0.00 0.00 178.44 180.85 1xsc n ALA 131 N -2.61 6.25 -0.60 1.53 0.00 -0.54 -3.69 120.51 120.84 1xsc n ALA 131 Ca -0.11 -2.22 0.46 0.00 0.00 0.00 0.00 53.44 51.57 1xsc n ALA 131 Cb 0.66 -2.68 0.72 0.00 0.00 0.00 0.00 19.45 18.16 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 2.99 -0.01 -1.62 0.00 0.00 -1.19 -3.84 117.38 113.71 1xsc n GLN 132 Ca 0.51 1.03 -0.46 0.00 0.00 0.00 0.00 57.00 58.08 1xsc n GLN 132 Cb 0.60 -2.28 -0.04 0.00 0.00 0.00 0.00 30.24 28.51 1xsc n GLN 132 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1xsc n PHE 133 N -3.95 2.18 -0.34 2.61 3.01 -1.26 -4.82 117.46 114.90 1xsc n PHE 133 Ca 0.40 -0.10 0.22 0.00 1.01 0.00 0.00 57.45 58.98 1xsc n PHE 133 Cb 1.75 -2.70 0.45 0.00 -0.01 0.00 0.00 39.48 38.97 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 11.66 0.39 0.28 -1.08 3.64 -1.97 -0.59 116.57 128.90 1xsc h LYS 134 Ca -0.44 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1xsc h LYS 134 Cb 1.26 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1xsc h LYS 134 CO 0.96 0.26 -0.22 0.93 -2.27 0.00 0.00 179.45 179.11 1xsc h GLU 135 N 0.40 -0.49 -0.77 1.90 3.07 -1.89 -2.10 114.58 114.71 1xsc h GLU 135 Ca 0.71 0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.55 1xsc h GLU 135 Cb 1.54 0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 29.53 1xsc h GLU 135 CO -0.57 -0.33 0.28 0.52 -1.40 0.00 0.00 179.01 177.52 1xsc h MET 136 N -0.51 1.15 -0.95 2.33 2.86 -1.42 -1.50 114.93 116.90 1xsc h MET 136 Ca -0.02 -0.22 0.17 0.00 -2.06 0.00 0.00 59.70 57.57 1xsc h MET 136 Cb 0.44 -0.18 -0.08 0.00 0.06 0.00 0.00 31.60 31.84 1xsc h MET 136 CO -0.01 0.95 0.60 0.87 1.06 0.00 0.00 176.91 180.38 1xsc h LYS 137 N 1.12 0.68 -0.02 1.72 6.56 -0.96 -0.21 116.57 125.46 1xsc h LYS 137 Ca 0.25 -0.04 -0.10 0.00 -1.06 0.00 0.00 60.65 59.70 1xsc h LYS 137 Cb 0.24 -0.15 0.01 0.00 -0.57 0.00 0.00 32.23 31.76 1xsc h LYS 137 CO -0.02 0.45 -0.39 0.00 -2.06 0.00 0.00 179.45 177.43 1xsc h ALA 138 N 1.61 0.07 -0.67 3.86 0.00 -0.73 -0.41 119.26 122.99 1xsc h ALA 138 Ca 0.50 -0.50 0.13 0.00 0.00 0.00 0.00 54.91 55.05 1xsc h ALA 138 Cb 0.85 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.56 1xsc h ALA 138 CO -0.26 0.20 0.18 0.00 0.00 0.00 0.00 179.25 179.37 1xsc h ALA 139 N 0.32 0.84 0.00 0.00 0.00 -0.26 0.67 119.26 120.84 1xsc h ALA 139 Ca -0.04 0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1xsc h ALA 139 Cb 1.10 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1xsc h ALA 139 CO 0.08 -0.28 -0.76 -0.07 0.00 0.00 0.00 179.25 178.21 1xsc h LEU 140 N 0.31 0.00 0.10 0.00 3.38 -1.14 -2.08 115.31 115.87 1xsc h LEU 140 Ca 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.32 1xsc h LEU 140 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1xsc h LEU 140 CO -0.42 0.76 -0.05 1.56 0.09 0.00 0.00 178.44 180.38 1xsc h GLN 141 N 0.00 -0.13 0.00 1.13 1.08 0.12 -2.83 115.11 114.48 1xsc h GLN 141 Ca -0.01 0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 1xsc h GLN 141 Cb 1.36 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.80 1xsc h GLN 141 CO 0.10 0.16 -0.46 0.93 -0.95 0.00 0.00 178.83 178.60 1xsc h GLU 142 N -0.41 0.00 -0.56 1.46 5.08 0.11 -2.02 114.58 118.24 1xsc h GLU 142 Ca -0.01 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1xsc h GLU 142 Cb 0.34 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1xsc h GLU 142 CO 0.02 0.46 0.32 0.78 -1.00 0.00 0.00 179.01 179.59 1xsc h GLY 143 N 1.45 0.80 1.94 -3.84 0.00 -1.25 0.20 103.07 102.38 1xsc h GLY 143 Ca -0.00 -0.23 -0.21 0.00 0.00 0.00 0.00 47.33 46.89 1xsc h GLY 143 CO 0.06 0.17 -0.97 0.84 0.00 0.00 0.00 176.54 176.64 1xsc h HIS 144 N 0.62 0.08 0.18 5.60 -0.00 -1.40 -2.86 115.15 117.38 1xsc h HIS 144 Ca 0.24 -0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.55 1xsc h HIS 144 Cb 0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.50 1xsc h HIS 144 CO -0.08 0.99 -0.09 0.37 -0.00 0.00 0.00 177.93 179.12 1xsc h GLN 145 N 0.02 -0.24 0.33 5.26 5.75 -0.79 -1.67 115.11 123.78 1xsc h GLN 145 Ca -0.03 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1xsc h GLN 145 Cb 1.69 0.05 0.00 0.00 1.07 0.00 0.00 27.48 30.30 1xsc h GLN 145 CO 0.13 0.02 -0.16 0.35 -2.65 0.00 0.00 178.83 176.53 1xsc h PHE 146 N -0.48 -0.42 -0.19 3.99 3.57 -0.73 -2.38 116.94 120.30 1xsc h PHE 146 Ca -0.03 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.52 1xsc h PHE 146 Cb 0.37 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1xsc h PHE 146 CO 0.00 -0.21 0.24 -0.07 -2.23 0.00 0.00 178.31 176.05 1xsc h LEU 147 N -0.53 0.00 0.00 0.59 3.38 -1.55 0.67 115.31 117.88 1xsc h LEU 147 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xsc h LEU 147 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1xsc h LEU 147 CO 0.08 0.00 -0.25 0.00 0.09 0.00 0.00 178.44 178.35 1xsc n SER 149 N -1.63 0.34 0.00 0.00 2.88 0.23 -4.89 113.62 110.55 1xsc n SER 149 Ca 0.06 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1xsc n SER 149 Cb 0.36 1.44 0.00 0.00 -0.75 0.00 0.00 64.21 65.25 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 -2.25 0.00 0.14 2.46 5.41 -0.69 -5.08 119.36 119.35 1xsc n ILE 150 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1xsc n ILE 150 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.46 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 -5.06 120.64 116.83 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 -3.07 0.18 -0.78 4.31 0.00 -1.26 -5.12 120.51 114.77 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 -0.11 0.00 0.00 0.00 177.50 177.39