#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsc n PRO 2 N 0.00 0.62 -2.65 1.61 -0.04 -1.26 -4.87 135.00 128.41 1xsc n PRO 2 Ca 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1xsc n PRO 2 Cb 0.00 -1.09 -0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1xsc n PRO 2 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xsc n LEU 3 N -0.31 -7.67 0.00 1.53 4.32 -1.26 -5.02 117.00 108.59 1xsc n LEU 3 Ca 0.00 1.39 0.00 0.00 -0.02 0.00 0.00 56.01 57.38 1xsc n LEU 3 Cb 0.04 -3.23 0.00 0.00 -1.62 0.00 0.00 43.42 38.61 1xsc n LEU 3 CO 0.00 -3.09 -0.33 0.61 -1.22 0.00 0.00 177.39 173.36 1xsc n GLY 4 N 0.69 0.00 3.55 -0.72 0.00 -1.26 -4.99 105.19 102.46 1xsc n GLY 4 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1xsc n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsc n SER 5 N -1.91 2.18 -4.74 1.61 7.64 -1.26 -4.92 113.62 112.23 1xsc n SER 5 Ca 0.00 -0.65 -0.39 0.00 1.01 0.00 0.00 58.87 58.84 1xsc n SER 5 Cb 0.33 -1.58 -0.05 0.00 -1.01 0.00 0.00 64.21 61.90 1xsc n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xsc s MET 6 N 8.41 4.38 0.29 1.43 0.23 -1.26 -4.92 119.30 127.86 1xsc s MET 6 Ca 0.98 0.76 0.00 0.00 -1.03 0.00 0.00 55.69 56.40 1xsc s MET 6 Cb -0.19 -3.40 0.00 0.00 -1.53 0.00 0.00 34.83 29.71 1xsc s MET 6 CO 0.24 0.22 0.00 0.00 -2.03 0.00 0.00 175.02 173.45 1xsc n ALA 7 N 3.26 -3.00 -3.00 3.16 0.00 -1.26 -4.83 120.51 114.84 1xsc n ALA 7 Ca -0.05 0.40 -0.33 0.00 0.00 0.00 0.00 53.44 53.47 1xsc n ALA 7 Cb 0.51 -1.06 -0.14 0.00 0.00 0.00 0.00 19.45 18.76 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 -6.26 2.71 0.02 0.00 1.02 0.25 -4.95 118.68 111.47 1xsc s LEU 8 Ca 0.00 -0.31 -0.27 0.00 0.02 0.00 0.00 54.13 53.57 1xsc s LEU 8 Cb 0.00 -1.60 -0.04 0.00 0.02 0.00 0.00 46.19 44.56 1xsc s LEU 8 CO 0.00 0.19 0.85 -0.60 0.02 0.00 0.00 176.35 176.81 1xsc s ARG 9 N 0.21 4.54 0.12 1.70 3.52 -1.26 0.16 118.95 127.94 1xsc s ARG 9 Ca -0.08 1.20 -0.06 0.00 -0.13 0.00 0.00 55.73 56.65 1xsc s ARG 9 Cb -0.15 -3.41 -0.02 0.00 -1.56 0.00 0.00 34.95 29.81 1xsc s ARG 9 CO 0.05 0.13 0.18 0.00 -0.81 0.00 0.00 175.30 174.85 1xsc s ALA 10 N 0.42 0.16 -0.22 6.12 0.00 0.29 -2.41 121.76 126.12 1xsc s ALA 10 Ca 0.44 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 51.34 1xsc s ALA 10 Cb -0.21 0.69 0.09 0.00 0.00 0.00 0.00 23.12 23.69 1xsc s ALA 10 CO 0.25 -0.55 0.50 0.00 0.00 0.00 0.00 175.76 175.96 1xsc s GLY 12 N 2.18 2.51 -0.18 0.00 0.00 0.78 -0.78 107.32 111.83 1xsc s GLY 12 Ca -0.06 -1.94 0.01 0.00 0.00 0.00 0.00 44.72 42.73 1xsc s GLY 12 CO -0.15 -2.04 -0.15 1.08 0.00 0.00 0.00 173.10 171.84 1xsc s LEU 13 N -3.83 2.12 -0.95 0.66 1.43 -1.19 -3.29 118.68 113.63 1xsc s LEU 13 Ca 0.33 -0.71 -0.24 0.00 -1.03 0.00 0.00 54.13 52.49 1xsc s LEU 13 Cb 0.06 -1.32 0.05 0.00 0.03 0.00 0.00 46.19 45.01 1xsc s LEU 13 CO 0.18 -0.07 1.39 -0.63 0.23 0.00 0.00 176.35 177.45 1xsc s ILE 14 N 1.37 3.94 0.29 -0.59 1.01 0.11 -4.51 121.20 122.81 1xsc s ILE 14 Ca 0.02 -0.58 -0.19 0.00 0.00 0.00 0.00 60.65 59.91 1xsc s ILE 14 Cb -0.14 -5.01 -0.09 0.00 0.01 0.00 0.00 42.46 37.23 1xsc s ILE 14 CO -0.10 -1.89 0.78 -0.63 0.00 0.00 0.00 174.94 173.10 1xsc s ILE 15 N 4.97 4.54 -0.22 2.92 1.01 -1.25 -0.04 121.20 133.13 1xsc s ILE 15 Ca 0.43 1.26 -0.08 0.00 0.00 0.00 0.00 60.65 62.26 1xsc s ILE 15 Cb -0.02 -3.77 0.10 0.00 0.01 0.00 0.00 42.46 38.78 1xsc s ILE 15 CO -0.05 0.01 0.47 0.72 0.00 0.00 0.00 174.94 176.10 1xsc s PHE 16 N -1.76 -0.90 -0.37 3.97 -0.71 0.68 -0.90 117.98 118.00 1xsc s PHE 16 Ca 0.50 1.68 -0.29 0.00 -1.04 0.00 0.00 56.93 57.78 1xsc s PHE 16 Cb -0.14 0.41 0.02 0.00 -1.21 0.00 0.00 43.02 42.10 1xsc s PHE 16 CO 0.19 -0.51 1.11 -0.98 -1.34 0.00 0.00 175.22 173.69 1xsc s ARG 17 N 2.54 3.95 -0.21 1.99 1.70 0.16 -3.59 118.95 125.49 1xsc s ARG 17 Ca -0.03 0.93 -0.08 0.00 -0.47 0.00 0.00 55.73 56.07 1xsc s ARG 17 Cb -0.11 -3.80 -0.04 0.00 -0.57 0.00 0.00 34.95 30.43 1xsc s ARG 17 CO -0.14 -1.06 0.10 0.50 -1.08 0.00 0.00 175.30 173.61 1xsc s ARG 18 N 3.93 3.96 0.50 3.89 6.06 -1.26 -2.55 118.95 133.47 1xsc s ARG 18 Ca 0.47 -0.34 -0.07 0.00 -2.50 0.00 0.00 55.73 53.29 1xsc s ARG 18 Cb -0.11 -3.34 -0.04 0.00 0.06 0.00 0.00 34.95 31.52 1xsc s ARG 18 CO 0.21 0.13 0.83 0.00 -2.50 0.00 0.00 175.30 173.97 1xsc n LEU 20 N -2.21 0.00 -4.49 0.00 7.94 -1.26 -4.86 117.00 112.12 1xsc n LEU 20 Ca 0.02 0.21 -0.30 0.00 -1.11 0.00 0.00 56.01 54.83 1xsc n LEU 20 Cb 0.55 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.38 1xsc n LEU 20 CO 0.53 0.00 -0.49 0.27 -1.11 0.00 0.00 177.39 176.60 1xsc s ILE 21 N -0.41 2.88 0.71 1.96 -5.25 -1.26 -5.12 121.20 114.70 1xsc s ILE 21 Ca 0.00 -1.40 -0.16 0.00 -0.99 0.00 0.00 60.65 58.10 1xsc s ILE 21 Cb 0.00 -2.29 0.02 0.00 2.95 0.00 0.00 42.46 43.14 1xsc s ILE 21 CO 0.00 0.16 1.22 -2.84 -1.79 0.00 0.00 174.94 171.69 1xsc s PRO 22 N -1.97 2.29 0.00 0.37 0.02 -1.26 -4.99 135.00 129.46 1xsc s PRO 22 Ca 0.17 1.80 0.00 0.00 0.02 0.00 0.00 61.00 62.99 1xsc s PRO 22 Cb -0.11 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.57 1xsc s PRO 22 CO 0.09 -1.73 0.00 1.63 -0.33 0.00 0.00 177.00 176.66 1xsc n LYS 23 N -2.50 0.00 0.00 5.54 4.76 -1.26 -4.85 118.16 119.85 1xsc n LYS 23 Ca 0.14 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.67 1xsc n LYS 23 Cb 0.50 0.00 0.44 0.00 -1.84 0.00 0.00 35.03 34.13 1xsc n LYS 23 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1xsc n VAL 24 N -1.98 0.54 -1.60 -0.18 0.31 -1.26 -4.85 118.33 109.30 1xsc n VAL 24 Ca 0.00 0.13 -0.18 0.00 -0.01 0.00 0.00 64.34 64.29 1xsc n VAL 24 Cb 0.00 -0.83 -0.07 0.00 -0.91 0.00 0.00 33.84 32.04 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 -1.35 -5.12 0.00 4.52 9.92 -1.26 -4.90 116.55 118.35 1xsc n ASP 25 Ca 0.07 0.39 0.00 0.00 -0.53 0.00 0.00 54.79 54.72 1xsc n ASP 25 Cb 0.17 -4.18 0.00 0.00 -0.64 0.00 0.00 41.12 36.47 1xsc n ASP 25 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1xsc n ASN 26 N -0.90 0.00 -1.35 -2.24 5.15 -1.26 -5.07 115.26 109.59 1xsc n ASN 26 Ca -0.18 0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 1xsc n ASN 26 Cb 0.59 -0.09 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 1xsc n ASN 26 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1xsc n ASN 27 N -1.17 1.86 0.01 1.20 4.13 -1.26 -5.09 115.26 114.95 1xsc n ASN 27 Ca 0.00 -0.70 0.00 0.00 1.68 0.00 0.00 54.58 55.56 1xsc n ASN 27 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1xsc n ASN 27 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xsc n ALA 28 N -3.00 0.28 -2.57 5.41 0.00 -1.26 -4.86 120.51 114.51 1xsc n ALA 28 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1xsc n ALA 28 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.00 3.59 -0.05 0.00 1.01 -1.26 -3.20 121.20 119.28 1xsc s ILE 29 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.06 1xsc s ILE 29 Cb 0.00 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 40.01 1xsc s ILE 29 CO 0.00 0.54 -0.04 -1.61 0.00 0.00 0.00 174.94 173.83 1xsc s GLU 30 N -0.96 0.89 0.38 2.79 2.02 -1.06 -4.49 118.70 118.28 1xsc s GLU 30 Ca 0.13 -0.10 -0.10 0.00 0.02 0.00 0.00 54.97 54.93 1xsc s GLU 30 Cb -0.11 -0.95 -0.06 0.00 0.10 0.00 0.00 34.13 33.11 1xsc s GLU 30 CO 0.03 -0.13 0.73 -0.06 0.02 0.00 0.00 175.26 175.86 1xsc s PHE 31 N 1.14 3.46 -0.03 1.61 0.08 0.15 0.38 117.98 124.77 1xsc s PHE 31 Ca -0.07 1.00 -0.18 0.00 0.12 0.00 0.00 56.93 57.79 1xsc s PHE 31 Cb -0.14 -2.40 -0.05 0.00 -0.57 0.00 0.00 43.02 39.86 1xsc s PHE 31 CO -0.01 -0.05 0.52 -1.17 -0.10 0.00 0.00 175.22 174.41 1xsc s LEU 32 N -3.74 4.40 0.01 -0.37 2.96 -0.08 -2.30 118.68 119.56 1xsc s LEU 32 Ca 0.50 1.02 0.02 0.00 -0.22 0.00 0.00 54.13 55.46 1xsc s LEU 32 Cb -0.10 -2.78 -0.01 0.00 0.50 0.00 0.00 46.19 43.80 1xsc s LEU 32 CO 0.30 0.14 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.64 1xsc s LEU 33 N -0.22 2.06 -0.27 -0.68 1.43 0.02 -4.24 118.68 116.78 1xsc s LEU 33 Ca 0.28 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 1xsc s LEU 33 Cb -0.17 -0.31 0.07 0.00 0.03 0.00 0.00 46.19 45.81 1xsc s LEU 33 CO 0.14 0.03 -0.05 -0.76 0.23 0.00 0.00 176.35 175.94 1xsc s LEU 34 N -0.44 3.48 0.37 1.79 1.43 0.08 0.26 118.68 125.64 1xsc s LEU 34 Ca 0.00 -1.52 -0.27 0.00 -1.03 0.00 0.00 54.13 51.31 1xsc s LEU 34 Cb -0.04 -1.45 -0.09 0.00 0.03 0.00 0.00 46.19 44.63 1xsc s LEU 34 CO -0.00 -0.25 1.26 -1.58 0.23 0.00 0.00 176.35 176.01 1xsc s GLN 35 N 1.15 4.17 0.79 1.70 0.74 0.34 -2.30 119.66 126.25 1xsc s GLN 35 Ca -0.03 2.09 -0.12 0.00 0.05 0.00 0.00 55.36 57.34 1xsc s GLN 35 Cb -0.19 -2.89 0.07 0.00 1.10 0.00 0.00 33.01 31.10 1xsc s GLN 35 CO -0.07 -0.30 1.15 0.00 -0.55 0.00 0.00 175.29 175.53 1xsc s ALA 36 N -1.24 1.97 -2.36 1.58 0.00 -0.57 -3.32 121.76 117.81 1xsc s ALA 36 Ca 0.53 0.62 0.23 0.00 0.00 0.00 0.00 51.96 53.35 1xsc s ALA 36 Cb -0.37 -3.41 0.84 0.00 0.00 0.00 0.00 23.12 20.18 1xsc s ALA 36 CO 0.48 -2.09 1.61 -1.13 0.00 0.00 0.00 175.76 174.63 1xsc n SER 37 N -3.36 1.67 -3.67 0.00 3.41 -0.75 -4.44 113.62 106.48 1xsc n SER 37 Ca 0.12 -1.65 0.01 0.00 -0.26 0.00 0.00 58.87 57.09 1xsc n SER 37 Cb 0.52 -0.07 0.01 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.72 -0.01 0.76 4.04 -4.77 -1.26 -4.95 116.67 108.76 1xsc s ASP 38 Ca 0.34 -0.32 0.00 0.00 -3.30 0.00 0.00 52.55 49.28 1xsc s ASP 38 Cb 0.19 0.25 0.00 0.00 -1.09 0.00 0.00 42.92 42.26 1xsc s ASP 38 CO 0.29 -0.49 0.00 0.61 0.70 0.00 0.00 175.17 176.28 1xsc n GLY 39 N -0.77 0.34 0.09 2.12 0.00 -1.26 -3.17 105.19 102.54 1xsc n GLY 39 Ca -0.00 -0.79 0.15 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.18 -0.61 3.06 -1.26 -4.90 119.36 113.47 1xsc n ILE 40 Ca 0.00 -0.05 -0.19 0.00 -2.50 0.00 0.00 62.75 60.01 1xsc n ILE 40 Cb 0.00 -0.26 -0.03 0.00 0.54 0.00 0.00 39.64 39.89 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 -0.91 -0.71 -1.76 9.51 8.25 -1.19 -4.94 115.22 123.48 1xsc n HIS 41 Ca 0.18 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.27 1xsc n HIS 41 Cb 0.22 -3.64 0.06 0.00 1.12 0.00 0.00 29.99 27.75 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 -2.91 2.14 0.10 4.41 -3.43 -1.26 -4.15 115.29 110.19 1xsc s HIS 42 Ca 0.00 1.45 -0.02 0.00 -0.80 0.00 0.00 55.06 55.69 1xsc s HIS 42 Cb 0.00 -3.73 -0.05 0.00 -1.43 0.00 0.00 32.58 27.38 1xsc s HIS 42 CO 0.00 -2.92 0.28 -1.58 -2.00 0.00 0.00 174.74 168.52 1xsc s TRP 43 N -1.37 3.50 -0.25 0.38 0.52 -1.24 -1.51 118.94 118.97 1xsc s TRP 43 Ca 0.79 0.38 -0.27 0.00 0.02 0.00 0.00 56.10 57.02 1xsc s TRP 43 Cb -0.38 -1.86 0.15 0.00 -1.15 0.00 0.00 33.47 30.22 1xsc s TRP 43 CO 0.42 0.52 1.14 0.95 0.02 0.00 0.00 176.95 180.00 1xsc s THR 44 N -1.58 0.00 1.06 2.01 -4.23 -0.97 -4.20 115.64 107.73 1xsc s THR 44 Ca 0.38 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.77 1xsc s THR 44 Cb -0.13 -1.00 0.22 0.00 1.34 0.00 0.00 72.50 72.94 1xsc s THR 44 CO 0.27 0.00 1.07 -2.84 -0.54 0.00 0.00 174.62 172.58 1xsc s PRO 45 N -0.34 -0.07 -0.45 3.99 0.02 -1.26 -0.74 135.00 136.15 1xsc s PRO 45 Ca 0.03 1.09 -0.26 0.00 0.02 0.00 0.00 61.00 61.88 1xsc s PRO 45 Cb -0.03 -1.63 -0.06 0.00 0.02 0.00 0.00 34.50 32.79 1xsc s PRO 45 CO -0.06 -3.23 2.32 -1.25 -0.33 0.00 0.00 177.00 174.45 1xsc s PRO 46 N -4.56 2.35 0.38 5.54 0.04 -1.26 -4.78 135.00 132.71 1xsc s PRO 46 Ca 0.67 1.46 -0.08 0.00 0.04 0.00 0.00 61.00 63.09 1xsc s PRO 46 Cb -0.24 -4.52 -0.06 0.00 0.04 0.00 0.00 34.50 29.72 1xsc s PRO 46 CO 0.62 -3.00 0.72 0.15 0.04 0.00 0.00 177.00 175.52 1xsc s LYS 47 N 7.77 3.71 0.28 4.56 1.02 -1.26 -3.19 119.74 132.62 1xsc s LYS 47 Ca 0.95 0.31 0.03 0.00 0.02 0.00 0.00 55.97 57.28 1xsc s LYS 47 Cb -0.20 -2.46 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 1xsc s LYS 47 CO 0.27 0.01 0.18 0.20 -0.92 0.00 0.00 175.35 175.09 1xsc s GLY 48 N -3.29 1.94 -0.35 -3.33 0.00 0.04 -4.80 107.32 97.54 1xsc s GLY 48 Ca 0.49 -1.82 -0.00 0.00 0.00 0.00 0.00 44.72 43.38 1xsc s GLY 48 CO 0.33 -1.50 0.08 -1.58 0.00 0.00 0.00 173.10 170.43 1xsc s HIS 49 N -3.73 3.52 -0.07 1.90 2.46 -1.26 -1.08 115.29 117.02 1xsc s HIS 49 Ca 0.38 -2.41 -0.28 0.00 0.47 0.00 0.00 55.06 53.22 1xsc s HIS 49 Cb 0.05 -2.74 -0.02 0.00 -0.13 0.00 0.00 32.58 29.73 1xsc s HIS 49 CO 0.18 -0.91 0.94 0.54 -2.47 0.00 0.00 174.74 173.02 1xsc s VAL 50 N 1.11 4.86 0.33 0.89 0.11 -1.01 -4.93 120.40 121.76 1xsc s VAL 50 Ca 0.04 1.93 -0.10 0.00 -2.93 0.00 0.00 61.98 60.92 1xsc s VAL 50 Cb -0.21 -4.26 -0.07 0.00 -1.53 0.00 0.00 36.38 30.31 1xsc s VAL 50 CO -0.04 0.09 0.67 -0.70 -3.33 0.00 0.00 175.10 171.79 1xsc s GLU 51 N 1.53 3.78 0.58 1.54 2.12 -1.26 -4.49 118.70 122.50 1xsc s GLU 51 Ca 0.47 0.35 0.31 0.00 0.36 0.00 0.00 54.97 56.45 1xsc s GLU 51 Cb -0.19 -2.50 1.67 0.00 0.26 0.00 0.00 34.13 33.36 1xsc s GLU 51 CO 0.21 0.12 1.93 -1.00 -0.54 0.00 0.00 175.26 175.97 1xsc h PRO 52 N 1.73 0.00 -0.01 4.30 0.13 -1.98 0.26 132.00 136.44 1xsc h PRO 52 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xsc h PRO 52 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1xsc h PRO 52 CO 0.65 0.00 -0.42 0.41 -0.23 0.00 0.00 178.00 178.42 1xsc n GLY 53 N -1.20 -0.15 3.97 1.56 0.00 -1.26 -5.00 105.19 103.12 1xsc n GLY 53 Ca -0.02 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.91 1.57 0.40 1.61 2.12 0.92 -5.09 118.70 118.31 1xsc s GLU 54 Ca 0.09 -0.85 -0.01 0.00 0.36 0.00 0.00 54.97 54.56 1xsc s GLU 54 Cb 0.11 -2.22 -0.02 0.00 0.26 0.00 0.00 34.13 32.25 1xsc s GLU 54 CO 0.42 -1.59 0.63 0.34 -0.54 0.00 0.00 175.26 174.53 1xsc s ASP 55 N -4.73 6.14 -0.04 -1.70 3.68 -1.26 -4.75 116.67 114.01 1xsc s ASP 55 Ca 0.67 0.49 -0.11 0.00 2.13 0.00 0.00 52.55 55.73 1xsc s ASP 55 Cb -0.06 -1.91 -0.06 0.00 -1.45 0.00 0.00 42.92 39.44 1xsc s ASP 55 CO 0.46 -0.48 0.48 0.44 0.13 0.00 0.00 175.17 176.20 1xsc h ASP 56 N 0.54 -0.33 -0.63 -0.34 3.45 -1.99 -3.08 116.42 114.04 1xsc h ASP 56 Ca -0.48 0.01 -0.09 0.00 0.43 0.00 0.00 57.03 56.90 1xsc h ASP 56 Cb 1.23 0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 40.06 1xsc h ASP 56 CO 0.60 0.07 0.03 0.25 -1.57 0.00 0.00 179.24 178.63 1xsc h LEU 57 N -1.00 1.07 -0.64 1.55 5.85 -1.97 -2.98 115.31 117.19 1xsc h LEU 57 Ca -0.04 -0.29 0.13 0.00 0.84 0.00 0.00 57.88 58.52 1xsc h LEU 57 Cb 0.30 -0.29 -0.10 0.00 0.37 0.00 0.00 40.66 40.94 1xsc h LEU 57 CO 0.06 1.10 0.08 -0.33 -0.34 0.00 0.00 178.44 179.02 1xsc h GLU 58 N 1.01 0.19 -0.68 1.25 5.08 -1.98 1.44 114.58 120.89 1xsc h GLU 58 Ca 0.18 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.57 1xsc h GLU 58 Cb 0.53 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 1xsc h GLU 58 CO 0.03 0.13 0.41 1.15 -1.00 0.00 0.00 179.01 179.73 1xsc h THR 59 N 0.20 1.05 -0.10 1.13 2.02 -1.43 1.36 112.91 117.14 1xsc h THR 59 Ca 0.34 -0.27 -0.12 0.00 0.77 0.00 0.00 66.41 67.13 1xsc h THR 59 Cb 0.55 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1xsc h THR 59 CO -0.48 0.14 -0.47 0.00 0.37 0.00 0.00 175.52 175.08 1xsc h ALA 60 N 1.31 1.01 0.08 6.16 0.00 -0.68 -0.46 119.26 126.69 1xsc h ALA 60 Ca 0.28 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1xsc h ALA 60 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xsc h ALA 60 CO -0.13 0.64 -0.04 -0.07 0.00 0.00 0.00 179.25 179.65 1xsc h LEU 61 N 0.21 -0.09 -0.80 0.00 3.38 0.34 -2.47 115.31 115.87 1xsc h LEU 61 Ca 0.01 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 1xsc h LEU 61 Cb 0.91 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 1xsc h LEU 61 CO 0.07 0.44 0.43 -0.09 0.09 0.00 0.00 178.44 179.38 1xsc h ARG 62 N -0.66 1.13 -0.42 1.13 1.12 0.18 -2.02 114.38 114.84 1xsc h ARG 62 Ca -0.01 -0.14 -0.03 0.00 -1.11 0.00 0.00 59.98 58.69 1xsc h ARG 62 Cb 0.54 -0.22 -0.02 0.00 -0.01 0.00 0.00 29.97 30.26 1xsc h ARG 62 CO 0.02 0.84 0.15 0.00 -3.11 0.00 0.00 179.97 177.87 1xsc h ALA 63 N 1.23 1.48 0.14 2.80 0.00 -1.13 0.49 119.26 124.27 1xsc h ALA 63 Ca 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xsc h ALA 63 Cb 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1xsc h ALA 63 CO -0.04 0.39 -0.07 1.15 0.00 0.00 0.00 179.25 180.68 1xsc h THR 64 N 0.59 0.86 0.00 0.00 2.02 -0.88 0.72 112.91 116.23 1xsc h THR 64 Ca 0.14 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.28 1xsc h THR 64 Cb 0.15 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1xsc h THR 64 CO -0.01 0.00 -0.15 0.06 0.37 0.00 0.00 175.52 175.79 1xsc h GLN 65 N -0.19 0.00 0.08 6.66 3.07 -0.10 1.49 115.11 126.11 1xsc h GLN 65 Ca -0.02 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.47 1xsc h GLN 65 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.71 1xsc h GLN 65 CO 0.03 0.15 -1.11 0.93 0.09 0.00 0.00 178.83 178.92 1xsc h GLU 66 N 0.00 0.31 0.00 0.06 5.08 0.50 0.18 114.58 120.70 1xsc h GLU 66 Ca -0.00 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1xsc h GLU 66 Cb 0.96 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1xsc h GLU 66 CO 0.02 1.16 -1.02 0.39 -1.00 0.00 0.00 179.01 178.56 1xsc n GLU 67 N -3.62 1.81 0.00 2.33 4.71 0.25 -4.06 120.64 122.07 1xsc n GLU 67 Ca -0.07 -0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.03 1xsc n GLU 67 Cb 0.94 -1.18 0.00 0.00 -1.01 0.00 0.00 31.44 30.19 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 -1.57 1.08 -0.12 0.62 0.00 0.50 -3.05 120.51 117.97 1xsc n ALA 68 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1xsc n ALA 68 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 0.46 2.26 3.65 0.00 0.00 0.63 0.11 105.19 112.29 1xsc n GLY 69 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.77 5.17 0.41 -0.61 1.01 -1.20 -4.67 121.20 118.54 1xsc s ILE 70 Ca 0.00 0.72 0.08 0.00 0.00 0.00 0.00 60.65 61.44 1xsc s ILE 70 Cb 0.00 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 1xsc s ILE 70 CO 0.00 0.20 0.46 -1.83 0.00 0.00 0.00 174.94 173.77 1xsc s GLU 71 N 1.62 2.70 0.35 2.79 1.03 -1.26 -0.00 118.70 125.94 1xsc s GLU 71 Ca 0.19 -1.37 0.15 0.00 0.03 0.00 0.00 54.97 53.98 1xsc s GLU 71 Cb -0.15 -2.57 1.08 0.00 -0.80 0.00 0.00 34.13 31.69 1xsc s GLU 71 CO 0.09 -0.19 1.69 0.00 -1.33 0.00 0.00 175.26 175.51 1xsc h ALA 72 N 0.87 2.03 0.00 -0.84 0.00 -1.90 1.17 119.26 120.60 1xsc h ALA 72 Ca -0.41 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1xsc h ALA 72 Cb 1.27 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1xsc h ALA 72 CO 0.52 -0.59 -0.12 0.78 0.00 0.00 0.00 179.25 179.84 1xsc h GLY 73 N 0.37 0.00 -1.43 0.00 0.00 -1.99 -2.14 103.07 97.88 1xsc h GLY 73 Ca 0.71 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.04 1xsc h GLY 73 CO -0.52 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 175.84 1xsc n GLN 74 N -3.38 2.09 -1.28 4.80 7.27 0.40 -4.95 117.38 122.33 1xsc n GLN 74 Ca -0.01 -1.60 0.00 0.00 0.07 0.00 0.00 57.00 55.46 1xsc n GLN 74 Cb 0.31 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 31.49 1xsc n GLN 74 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1xsc n LEU 75 N 0.90 0.00 -3.52 1.69 -0.00 -0.78 -2.25 117.00 113.05 1xsc n LEU 75 Ca 0.17 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.90 1xsc n LEU 75 Cb 0.50 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.77 1xsc n LEU 75 CO 0.15 0.00 -0.32 -0.89 -0.00 0.00 0.00 177.39 176.34 1xsc s THR 76 N -1.48 -0.07 -0.29 1.47 2.01 0.12 -4.71 115.64 112.69 1xsc s THR 76 Ca 0.00 -0.87 -0.29 0.00 0.31 0.00 0.00 61.69 60.84 1xsc s THR 76 Cb 0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 1xsc s THR 76 CO 0.00 -0.75 1.45 -0.63 -0.69 0.00 0.00 174.62 174.00 1xsc s ILE 77 N 1.97 3.93 0.22 1.82 -1.09 -1.25 -1.75 121.20 125.04 1xsc s ILE 77 Ca 0.10 1.03 -0.30 0.00 -2.23 0.00 0.00 60.65 59.26 1xsc s ILE 77 Cb -0.17 -3.98 -0.08 0.00 -1.58 0.00 0.00 42.46 36.65 1xsc s ILE 77 CO -0.31 -0.44 1.04 -0.63 -1.23 0.00 0.00 174.94 173.36 1xsc s ILE 78 N 4.89 3.89 0.08 2.92 1.09 0.25 -4.98 121.20 129.34 1xsc s ILE 78 Ca 0.63 1.78 -0.03 0.00 -1.10 0.00 0.00 60.65 61.92 1xsc s ILE 78 Cb -0.19 -4.13 -0.05 0.00 -1.06 0.00 0.00 42.46 37.03 1xsc s ILE 78 CO 0.27 0.37 0.29 -1.61 -0.10 0.00 0.00 174.94 174.16 1xsc s GLU 79 N -0.88 3.55 0.00 2.79 2.02 -1.26 -4.36 118.70 120.56 1xsc s GLU 79 Ca 0.45 -0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.23 1xsc s GLU 79 Cb -0.28 -2.96 0.00 0.00 0.10 0.00 0.00 34.13 30.98 1xsc s GLU 79 CO 0.35 0.56 0.00 0.41 0.02 0.00 0.00 175.26 176.60 1xsc n GLY 80 N 0.38 2.80 3.59 -1.39 0.00 -1.26 -5.05 105.19 104.26 1xsc n GLY 80 Ca -0.05 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 -2.64 3.20 -0.27 1.61 2.19 -1.26 -5.07 117.98 115.74 1xsc s PHE 81 Ca 0.00 -0.05 -0.14 0.00 0.33 0.00 0.00 56.93 57.07 1xsc s PHE 81 Cb 0.00 -2.12 0.09 0.00 -1.31 0.00 0.00 43.02 39.68 1xsc s PHE 81 CO 0.00 0.02 0.65 0.21 1.83 0.00 0.00 175.22 177.93 1xsc s LYS 82 N 0.69 0.65 -0.20 10.12 2.20 -1.26 -4.68 119.74 127.26 1xsc s LYS 82 Ca 0.03 1.22 -0.17 0.00 -0.36 0.00 0.00 55.97 56.69 1xsc s LYS 82 Cb -0.13 0.24 0.05 0.00 -1.51 0.00 0.00 37.83 36.49 1xsc s LYS 82 CO 0.02 -0.16 0.52 0.50 -0.36 0.00 0.00 175.35 175.87 1xsc s ARG 83 N 1.84 0.59 -0.05 4.03 6.06 -1.24 -5.01 118.95 125.16 1xsc s ARG 83 Ca -0.09 0.77 0.06 0.00 -2.50 0.00 0.00 55.73 53.97 1xsc s ARG 83 Cb -0.07 0.24 -0.01 0.00 0.06 0.00 0.00 34.95 35.17 1xsc s ARG 83 CO -0.19 -0.09 -0.24 -1.83 -2.50 0.00 0.00 175.30 170.45 1xsc s GLU 84 N 0.53 2.37 -0.30 5.12 1.03 -1.25 -0.10 118.70 126.11 1xsc s GLU 84 Ca -0.02 -0.87 -0.16 0.00 0.03 0.00 0.00 54.97 53.95 1xsc s GLU 84 Cb -0.04 -2.06 -0.03 0.00 -0.80 0.00 0.00 34.13 31.21 1xsc s GLU 84 CO -0.03 0.39 0.41 -0.51 -1.33 0.00 0.00 175.26 174.20 1xsc s LEU 85 N -0.21 4.17 -0.19 1.83 1.43 0.24 -4.75 118.68 121.19 1xsc s LEU 85 Ca -0.01 0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 53.20 1xsc s LEU 85 Cb -0.13 -2.46 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 1xsc s LEU 85 CO 0.03 -0.28 -0.01 0.20 0.23 0.00 0.00 176.35 176.52 1xsc s ASN 86 N 1.67 4.87 -0.27 2.29 0.02 -1.25 -0.60 114.94 121.67 1xsc s ASN 86 Ca 0.16 -0.16 -0.26 0.00 -1.02 0.00 0.00 52.86 51.58 1xsc s ASN 86 Cb -0.16 -1.82 0.12 0.00 0.02 0.00 0.00 41.25 39.40 1xsc s ASN 86 CO 0.11 0.10 0.99 -0.72 0.02 0.00 0.00 177.10 177.59 1xsc s TYR 87 N 0.80 -0.50 -0.39 2.20 -0.85 -1.14 -4.93 117.35 112.53 1xsc s TYR 87 Ca 0.00 1.20 -0.28 0.00 -0.52 0.00 0.00 57.07 57.47 1xsc s TYR 87 Cb -0.14 0.36 0.02 0.00 0.38 0.00 0.00 41.96 42.58 1xsc s TYR 87 CO 0.02 -0.26 1.07 0.54 -1.52 0.00 0.00 175.55 175.40 1xsc s VAL 88 N 0.11 4.40 0.00 -3.49 0.11 -1.26 -0.13 120.40 120.14 1xsc s VAL 88 Ca 0.02 1.44 0.00 0.00 -2.93 0.00 0.00 61.98 60.52 1xsc s VAL 88 Cb -0.05 -4.48 0.00 0.00 -1.53 0.00 0.00 36.38 30.33 1xsc s VAL 88 CO -0.04 -0.70 0.00 0.00 -3.33 0.00 0.00 175.10 171.03 1xsc n ALA 89 N 7.23 0.00 0.08 1.54 0.00 -0.67 -4.69 120.51 124.01 1xsc n ALA 89 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.42 1xsc n ALA 89 Cb 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 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 0.32 0.00 0.00 -0.00 -2.04 -3.43 114.38 109.24 1xsc h ARG 90 Ca 0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 59.98 59.56 1xsc h ARG 90 Cb 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 29.97 30.10 1xsc h ARG 90 CO 0.00 1.13 0.00 -1.71 -0.00 0.00 0.00 179.97 179.39 1xsc n ASN 91 N -3.65 0.00 -3.70 0.08 4.05 -1.26 -5.13 115.26 105.65 1xsc n ASN 91 Ca -0.07 -0.36 -0.12 0.00 0.45 0.00 0.00 54.58 54.49 1xsc n ASN 91 Cb 0.90 0.00 -0.12 0.00 1.23 0.00 0.00 39.78 41.79 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 0.25 -0.12 1.20 2.47 -1.26 -5.07 119.74 117.22 1xsc s LYS 92 Ca 0.00 0.71 -0.29 0.00 -1.56 0.00 0.00 55.97 54.83 1xsc s LYS 92 Cb 0.00 -0.02 -0.04 0.00 -1.46 0.00 0.00 37.83 36.31 1xsc s LYS 92 CO 0.00 -0.20 1.58 -1.25 0.16 0.00 0.00 175.35 175.64 1xsc s PRO 93 N 1.74 4.09 -0.24 4.03 0.04 -1.26 -1.67 135.00 141.74 1xsc s PRO 93 Ca -0.06 1.97 -0.10 0.00 0.04 0.00 0.00 61.00 62.85 1xsc s PRO 93 Cb -0.10 -3.96 -0.05 0.00 0.04 0.00 0.00 34.50 30.43 1xsc s PRO 93 CO -0.10 -0.94 0.14 0.15 0.04 0.00 0.00 177.00 176.29 1xsc s LYS 94 N 4.11 3.99 -0.35 4.56 -0.14 0.82 0.87 119.74 133.59 1xsc s LYS 94 Ca 0.70 -0.31 -0.21 0.00 -1.36 0.00 0.00 55.97 54.78 1xsc s LYS 94 Cb -0.29 -3.47 0.00 0.00 -1.68 0.00 0.00 37.83 32.39 1xsc s LYS 94 CO 0.27 0.04 0.69 0.99 -0.76 0.00 0.00 175.35 176.58 1xsc s THR 95 N 1.08 4.84 -0.33 2.17 2.01 0.12 -2.91 115.64 122.62 1xsc s THR 95 Ca 0.07 0.74 -0.03 0.00 0.31 0.00 0.00 61.69 62.78 1xsc s THR 95 Cb -0.14 -4.12 0.06 0.00 0.01 0.00 0.00 72.50 68.31 1xsc s THR 95 CO 0.04 -0.34 0.06 -0.69 -0.69 0.00 0.00 174.62 173.00 1xsc s VAL 96 N 2.85 3.18 -0.02 3.82 1.01 0.23 0.10 120.40 131.57 1xsc s VAL 96 Ca 0.27 -1.47 -0.23 0.00 0.00 0.00 0.00 61.98 60.55 1xsc s VAL 96 Cb -0.14 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1xsc s VAL 96 CO 0.15 -0.23 0.70 -0.63 0.00 0.00 0.00 175.10 175.09 1xsc s ILE 97 N 1.26 4.91 -0.11 2.22 -1.09 -0.99 0.80 121.20 128.20 1xsc s ILE 97 Ca -0.02 1.47 0.03 0.00 -2.23 0.00 0.00 60.65 59.90 1xsc s ILE 97 Cb -0.20 -4.05 -0.00 0.00 -1.58 0.00 0.00 42.46 36.63 1xsc s ILE 97 CO -0.01 0.32 -0.22 -0.31 -1.23 0.00 0.00 174.94 173.50 1xsc s TYR 98 N 0.32 2.62 0.01 3.97 2.02 0.86 -0.15 117.35 127.00 1xsc s TYR 98 Ca 0.37 -0.96 0.08 0.00 -0.37 0.00 0.00 57.07 56.18 1xsc s TYR 98 Cb -0.19 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.61 1xsc s TYR 98 CO 0.20 -0.37 -0.23 -1.58 -1.57 0.00 0.00 175.55 171.99 1xsc s TRP 99 N 0.34 2.42 -0.11 2.71 0.51 -1.21 -3.66 118.94 119.95 1xsc s TRP 99 Ca -0.17 -0.36 -0.30 0.00 -2.12 0.00 0.00 56.10 53.16 1xsc s TRP 99 Cb -0.18 -1.47 -0.02 0.00 -0.81 0.00 0.00 33.47 30.99 1xsc s TRP 99 CO 0.08 0.11 1.19 -0.51 -0.51 0.00 0.00 176.95 177.32 1xsc s LEU 100 N -1.02 4.23 -0.03 2.99 1.43 -1.26 0.06 118.68 125.08 1xsc s LEU 100 Ca 0.12 1.72 0.02 0.00 -1.03 0.00 0.00 54.13 54.95 1xsc s LEU 100 Cb -0.10 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.58 1xsc s LEU 100 CO 0.02 -0.64 -0.06 0.00 0.23 0.00 0.00 176.35 175.89 1xsc s ALA 101 N 2.71 0.70 -0.25 4.21 0.00 0.95 0.84 121.76 130.91 1xsc s ALA 101 Ca 0.54 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.28 1xsc s ALA 101 Cb -0.22 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.61 1xsc s ALA 101 CO 0.18 0.08 -0.05 -2.00 0.00 0.00 0.00 175.76 173.97 1xsc s GLU 102 N 0.40 2.85 -0.42 0.00 2.12 -0.72 0.25 118.70 123.17 1xsc s GLU 102 Ca -0.05 -0.97 -0.28 0.00 0.36 0.00 0.00 54.97 54.02 1xsc s GLU 102 Cb -0.10 -3.01 -0.00 0.00 0.26 0.00 0.00 34.13 31.28 1xsc s GLU 102 CO 0.00 -0.40 1.60 0.14 -0.54 0.00 0.00 175.26 176.06 1xsc s VAL 103 N 1.33 3.67 -0.39 3.70 -7.23 -1.24 0.14 120.40 120.39 1xsc s VAL 103 Ca 0.00 0.65 0.12 0.00 -1.81 0.00 0.00 61.98 60.94 1xsc s VAL 103 Cb -0.17 -4.00 0.12 0.00 0.56 0.00 0.00 36.38 32.89 1xsc s VAL 103 CO -0.04 -0.70 1.31 2.29 -0.31 0.00 0.00 175.10 177.65 1xsc n LYS 104 N 8.40 0.08 -3.76 4.82 0.00 -0.95 -4.33 118.16 122.40 1xsc n LYS 104 Ca 0.19 0.54 -0.37 0.00 -0.00 0.00 0.00 58.31 58.67 1xsc n LYS 104 Cb 0.48 -1.85 -0.13 0.00 -0.00 0.00 0.00 35.03 33.54 1xsc n LYS 104 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1xsc s ASP 105 N -3.46 5.08 0.21 -5.58 3.68 -1.26 -4.97 116.67 110.37 1xsc s ASP 105 Ca -0.01 -0.55 -0.06 0.00 2.13 0.00 0.00 52.55 54.06 1xsc s ASP 105 Cb 0.03 -1.89 0.17 0.00 -1.45 0.00 0.00 42.92 39.79 1xsc s ASP 105 CO 0.11 -0.14 1.70 0.22 0.13 0.00 0.00 175.17 177.18 1xsc h TYR 106 N 8.23 1.07 -0.80 -5.34 3.20 -1.99 -2.06 116.97 119.29 1xsc h TYR 106 Ca -0.34 -0.16 -0.29 0.00 3.14 0.00 0.00 58.73 61.08 1xsc h TYR 106 Cb 1.14 -0.29 -0.17 0.00 1.54 0.00 0.00 36.73 38.95 1xsc h TYR 106 CO 0.63 0.94 0.37 -0.25 -1.64 0.00 0.00 178.16 178.20 1xsc n ASP 107 N -4.20 4.54 -4.56 -2.11 10.43 -1.26 -5.00 116.55 114.40 1xsc n ASP 107 Ca 0.03 -3.28 -0.40 0.00 2.57 0.00 0.00 54.79 53.71 1xsc n ASP 107 Cb 0.32 -0.77 0.02 0.00 1.84 0.00 0.00 41.12 42.53 1xsc n ASP 107 CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 1xsc n VAL 108 N -0.37 2.53 -2.49 2.53 3.14 -0.78 -4.92 118.33 117.98 1xsc n VAL 108 Ca 0.45 -0.50 -0.37 0.00 -2.96 0.00 0.00 64.34 60.96 1xsc n VAL 108 Cb 1.45 -0.96 -0.03 0.00 -1.06 0.00 0.00 33.84 33.24 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 -2.09 4.11 -0.32 1.45 1.03 -1.26 -5.03 118.70 116.58 1xsc s GLU 109 Ca 0.67 1.57 0.03 0.00 0.03 0.00 0.00 54.97 57.27 1xsc s GLU 109 Cb -0.52 -2.54 0.10 0.00 -0.80 0.00 0.00 34.13 30.37 1xsc s GLU 109 CO 0.55 -0.21 0.04 0.42 -1.33 0.00 0.00 175.26 174.73 1xsc s ILE 110 N -1.62 1.98 -0.60 1.83 -1.09 -1.25 -4.36 121.20 116.09 1xsc s ILE 110 Ca 0.58 -2.07 -0.13 0.00 -2.23 0.00 0.00 60.65 56.80 1xsc s ILE 110 Cb -0.24 -2.43 0.15 0.00 -1.58 0.00 0.00 42.46 38.37 1xsc s ILE 110 CO 0.29 -0.55 0.53 -0.13 -1.23 0.00 0.00 174.94 173.86 1xsc s ARG 111 N 1.07 3.01 0.25 2.79 0.52 0.12 -4.87 118.95 121.84 1xsc s ARG 111 Ca 0.09 -1.95 -0.10 0.00 -0.52 0.00 0.00 55.73 53.24 1xsc s ARG 111 Cb -0.19 -4.22 -0.07 0.00 0.52 0.00 0.00 34.95 30.99 1xsc s ARG 111 CO -0.11 -1.28 0.58 -0.51 0.02 0.00 0.00 175.30 174.00 1xsc s LEU 112 N 1.10 4.13 0.00 2.53 1.43 -1.17 -1.76 118.68 124.94 1xsc s LEU 112 Ca 0.08 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1xsc s LEU 112 Cb -0.24 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.24 1xsc s LEU 112 CO -0.01 -0.11 0.00 -0.24 0.23 0.00 0.00 176.35 176.21 1xsc n SER 113 N -0.28 0.00 0.00 2.29 2.88 -1.26 -4.89 113.62 112.36 1xsc n SER 113 Ca 0.01 -0.81 0.09 0.00 -1.33 0.00 0.00 58.87 56.83 1xsc n SER 113 Cb 0.53 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.55 1xsc n SER 113 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1xsc n HIS 114 N -1.47 0.00 -0.08 0.66 -0.00 -1.26 -2.70 115.22 110.37 1xsc n HIS 114 Ca 0.00 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.10 1xsc n HIS 114 Cb 0.00 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.71 1xsc n HIS 114 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1xsc n GLU 115 N -0.92 0.68 -3.75 1.57 -0.58 -1.26 -4.84 120.64 111.54 1xsc n GLU 115 Ca 0.14 0.01 -0.38 0.00 -0.42 0.00 0.00 57.16 56.52 1xsc n GLU 115 Cb 0.07 -1.55 -0.12 0.00 -0.57 0.00 0.00 31.44 29.26 1xsc n GLU 115 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1xsc s HIS 116 N -2.59 3.23 -1.48 -0.32 3.76 -1.10 -1.81 115.29 114.99 1xsc s HIS 116 Ca -0.09 -1.33 0.26 0.00 -0.15 0.00 0.00 55.06 53.75 1xsc s HIS 116 Cb 0.07 -2.28 0.72 0.00 1.11 0.00 0.00 32.58 32.20 1xsc s HIS 116 CO 0.84 -0.70 1.55 0.00 -0.85 0.00 0.00 174.74 175.57 1xsc n GLN 117 N 4.83 0.53 -3.58 1.40 10.64 -1.21 -4.33 117.38 125.67 1xsc n GLN 117 Ca -0.13 -0.30 -0.08 0.00 -1.83 0.00 0.00 57.00 54.66 1xsc n GLN 117 Cb 0.45 -1.49 -0.04 0.00 -0.86 0.00 0.00 30.24 28.30 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 -2.67 -1.96 0.35 2.61 0.00 -1.25 -5.05 121.76 113.79 1xsc s ALA 118 Ca 0.20 1.54 0.04 0.00 0.00 0.00 0.00 51.96 53.74 1xsc s ALA 118 Cb 0.19 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1xsc s ALA 118 CO 0.58 -0.39 0.15 1.52 0.00 0.00 0.00 175.76 177.62 1xsc s TYR 119 N -1.54 1.72 0.22 0.00 1.13 -1.26 0.12 117.35 117.74 1xsc s TYR 119 Ca 0.02 -1.33 -0.19 0.00 -1.41 0.00 0.00 57.07 54.16 1xsc s TYR 119 Cb -0.01 -1.00 0.03 0.00 -1.10 0.00 0.00 41.96 39.88 1xsc s TYR 119 CO -0.02 -0.42 0.60 1.03 -2.51 0.00 0.00 175.55 174.23 1xsc s ARG 120 N -3.75 1.53 -0.24 -3.49 0.52 0.14 -4.88 118.95 108.77 1xsc s ARG 120 Ca 0.32 -0.88 -0.01 0.00 -0.52 0.00 0.00 55.73 54.63 1xsc s ARG 120 Cb 0.04 0.56 0.07 0.00 0.52 0.00 0.00 34.95 36.14 1xsc s ARG 120 CO 0.17 -0.67 0.03 -1.58 0.02 0.00 0.00 175.30 173.27 1xsc s TRP 121 N -3.88 1.67 0.23 -0.53 0.52 -1.26 -0.80 118.94 114.89 1xsc s TRP 121 Ca 0.10 -1.42 0.00 0.00 0.02 0.00 0.00 56.10 54.80 1xsc s TRP 121 Cb -0.03 -1.43 -0.04 0.00 -1.15 0.00 0.00 33.47 30.82 1xsc s TRP 121 CO 0.00 -0.74 0.12 -0.51 0.02 0.00 0.00 176.95 175.83 1xsc s LEU 122 N 1.64 1.38 0.00 2.99 1.02 -0.97 -4.88 118.68 119.86 1xsc s LEU 122 Ca 0.01 -1.39 0.00 0.00 0.02 0.00 0.00 54.13 52.77 1xsc s LEU 122 Cb -0.18 0.22 0.00 0.00 0.02 0.00 0.00 46.19 46.25 1xsc s LEU 122 CO -0.13 -0.79 0.00 0.61 0.02 0.00 0.00 176.35 176.06 1xsc n GLY 123 N -0.37 -0.58 0.17 -3.19 0.00 -1.26 0.31 105.19 100.27 1xsc n GLY 123 Ca 0.01 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.41 1xsc n GLY 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xsc h LEU 124 N 0.00 0.79 0.09 0.99 5.85 -1.91 -1.65 115.31 119.46 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 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.78 1xsc h LEU 124 CO 0.00 1.51 -0.04 1.05 -0.34 0.00 0.00 178.44 180.61 1xsc h GLU 125 N 0.17 -0.11 -0.25 1.25 4.11 -1.97 0.32 114.58 118.08 1xsc h GLU 125 Ca -0.15 0.01 -0.18 0.00 0.07 0.00 0.00 59.36 59.10 1xsc h GLU 125 Cb 1.73 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1xsc h GLU 125 CO 0.20 -0.02 -0.55 0.93 0.07 0.00 0.00 179.01 179.64 1xsc h GLU 126 N -0.18 0.83 -0.21 1.06 3.07 -1.92 0.45 114.58 117.68 1xsc h GLU 126 Ca -0.01 -0.55 -0.02 0.00 -0.50 0.00 0.00 59.36 58.28 1xsc h GLU 126 Cb 0.15 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1xsc h GLU 126 CO 0.02 1.18 0.02 0.00 -1.40 0.00 0.00 179.01 178.82 1xsc h ALA 127 N 0.65 1.65 0.03 3.43 0.00 -1.22 -0.63 119.26 123.16 1xsc h ALA 127 Ca 0.00 -0.12 -0.24 0.00 0.00 0.00 0.00 54.91 54.56 1xsc h ALA 127 Cb 1.17 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1xsc h ALA 127 CO 0.12 0.27 -1.20 0.00 0.00 0.00 0.00 179.25 178.44 1xsc h GLN 129 N 0.02 0.55 -0.03 0.00 -0.00 0.81 -3.14 115.11 113.32 1xsc h GLN 129 Ca -0.09 -0.21 -0.09 0.00 -0.00 0.00 0.00 58.65 58.26 1xsc h GLN 129 Cb 1.86 -0.03 0.01 0.00 -0.00 0.00 0.00 27.48 29.31 1xsc h GLN 129 CO 0.13 0.74 -0.35 -0.07 -0.00 0.00 0.00 178.83 179.29 1xsc h LEU 130 N 0.32 0.36 -4.28 0.06 3.38 -1.27 -3.24 115.31 110.64 1xsc h LEU 130 Ca 0.07 -0.72 -0.24 0.00 0.09 0.00 0.00 57.88 57.09 1xsc h LEU 130 Cb 0.53 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1xsc h LEU 130 CO 0.03 1.02 0.34 0.00 0.09 0.00 0.00 178.44 179.92 1xsc n ALA 131 N -2.53 5.93 -0.39 1.53 0.00 -0.79 -3.67 120.51 120.59 1xsc n ALA 131 Ca -0.09 -1.86 0.36 0.00 0.00 0.00 0.00 53.44 51.85 1xsc n ALA 131 Cb 0.54 -2.47 0.56 0.00 0.00 0.00 0.00 19.45 18.07 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 2.75 0.01 -1.71 0.00 10.64 -1.19 -3.88 117.38 124.01 1xsc n GLN 132 Ca 0.43 1.00 -0.42 0.00 -1.83 0.00 0.00 57.00 56.19 1xsc n GLN 132 Cb 0.71 -2.43 -0.03 0.00 -0.86 0.00 0.00 30.24 27.63 1xsc n GLN 132 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1xsc s PHE 133 N -4.51 1.35 0.27 2.61 0.40 -1.26 -4.86 117.98 111.98 1xsc s PHE 133 Ca -0.03 -0.33 -0.03 0.00 -0.60 0.00 0.00 56.93 55.93 1xsc s PHE 133 Cb 0.18 -4.19 0.56 0.00 0.51 0.00 0.00 43.02 40.08 1xsc s PHE 133 CO 0.60 -5.30 1.62 -0.22 0.70 0.00 0.00 175.22 172.63 1xsc h LYS 134 N 10.73 0.11 -0.09 0.44 3.64 -1.96 -1.06 116.57 128.37 1xsc h LYS 134 Ca -0.48 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 58.94 1xsc h LYS 134 Cb 1.23 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.97 1xsc h LYS 134 CO 0.94 0.07 -0.29 0.93 -2.27 0.00 0.00 179.45 178.83 1xsc h GLU 135 N 0.11 -0.37 -0.73 1.90 3.07 -1.89 -1.82 114.58 114.85 1xsc h GLU 135 Ca 0.48 0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.34 1xsc h GLU 135 Cb 0.91 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.87 1xsc h GLU 135 CO -0.72 -0.25 0.34 0.52 -1.40 0.00 0.00 179.01 177.50 1xsc h MET 136 N -0.38 1.06 -0.69 2.33 2.86 -1.48 -1.41 114.93 117.21 1xsc h MET 136 Ca 0.09 -0.17 0.11 0.00 -2.06 0.00 0.00 59.70 57.67 1xsc h MET 136 Cb 0.51 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 1xsc h MET 136 CO -0.31 0.84 0.46 0.87 1.06 0.00 0.00 176.91 179.83 1xsc h LYS 137 N 1.03 0.47 -0.04 1.72 6.56 -0.88 0.25 116.57 125.68 1xsc h LYS 137 Ca 0.25 -0.03 -0.16 0.00 -1.06 0.00 0.00 60.65 59.65 1xsc h LYS 137 Cb 0.14 -0.11 0.01 0.00 -0.57 0.00 0.00 32.23 31.71 1xsc h LYS 137 CO -0.03 0.31 -0.58 0.00 -2.06 0.00 0.00 179.45 177.09 1xsc h ALA 138 N 1.66 0.13 -0.55 3.86 0.00 -0.69 0.40 119.26 124.08 1xsc h ALA 138 Ca 0.32 -0.55 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1xsc h ALA 138 Cb 0.60 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1xsc h ALA 138 CO -0.10 0.38 0.26 0.00 0.00 0.00 0.00 179.25 179.79 1xsc h ALA 139 N 0.39 0.71 0.00 0.00 0.00 -0.18 0.53 119.26 120.71 1xsc h ALA 139 Ca -0.06 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1xsc h ALA 139 Cb 1.26 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1xsc h ALA 139 CO 0.12 -0.10 -0.50 -0.07 0.00 0.00 0.00 179.25 178.70 1xsc h LEU 140 N 0.50 0.00 0.12 0.00 3.38 -1.04 -1.88 115.31 116.39 1xsc h LEU 140 Ca 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1xsc h LEU 140 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1xsc h LEU 140 CO -0.19 0.50 -0.06 1.56 0.09 0.00 0.00 178.44 180.34 1xsc h GLN 141 N 0.00 -0.16 0.00 1.13 1.08 0.84 -3.01 115.11 114.99 1xsc h GLN 141 Ca -0.00 0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 1xsc h GLN 141 Cb 1.16 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.62 1xsc h GLN 141 CO 0.06 0.23 -0.45 0.93 -0.95 0.00 0.00 178.83 178.66 1xsc h GLU 142 N -0.58 0.00 -0.27 1.46 4.39 -0.07 -2.28 114.58 117.22 1xsc h GLU 142 Ca -0.02 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.71 1xsc h GLU 142 Cb 0.46 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 1xsc h GLU 142 CO 0.03 0.45 0.12 0.78 -1.16 0.00 0.00 179.01 179.22 1xsc h GLY 143 N 1.54 0.35 1.75 -3.84 0.00 -1.31 0.19 103.07 101.76 1xsc h GLY 143 Ca -0.00 -0.08 -0.19 0.00 0.00 0.00 0.00 47.33 47.06 1xsc h GLY 143 CO 0.06 0.06 -0.83 0.84 0.00 0.00 0.00 176.54 176.67 1xsc h HIS 144 N 0.25 0.33 0.16 5.60 -0.00 -1.49 -2.57 115.15 117.43 1xsc h HIS 144 Ca 0.12 -0.17 -0.01 0.00 -0.00 0.00 0.00 60.37 60.31 1xsc h HIS 144 Cb 0.06 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.43 1xsc h HIS 144 CO -0.11 0.95 -0.08 0.37 -0.00 0.00 0.00 177.93 179.06 1xsc h GLN 145 N 0.14 -0.21 0.04 5.26 5.75 -1.01 0.11 115.11 125.19 1xsc h GLN 145 Ca -0.04 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1xsc h GLN 145 Cb 1.43 0.05 0.00 0.00 1.07 0.00 0.00 27.48 30.03 1xsc h GLN 145 CO 0.13 -0.00 -0.02 0.35 -2.65 0.00 0.00 178.83 176.63 1xsc h PHE 146 N -0.38 -0.06 -0.45 3.99 3.04 -0.70 -1.63 116.94 120.77 1xsc h PHE 146 Ca -0.02 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.94 1xsc h PHE 146 Cb 0.30 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.80 1xsc h PHE 146 CO -0.02 0.06 0.30 -0.07 -2.02 0.00 0.00 178.31 176.56 1xsc h LEU 147 N -0.16 0.47 -0.90 0.59 3.38 -1.45 0.48 115.31 117.73 1xsc h LEU 147 Ca -0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xsc h LEU 147 Cb 0.14 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1xsc h LEU 147 CO 0.01 0.33 -0.00 0.00 0.09 0.00 0.00 178.44 178.87 1xsc n SER 149 N -3.10 0.57 0.00 0.00 7.64 0.09 -4.85 113.62 113.98 1xsc n SER 149 Ca 0.02 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.59 1xsc n SER 149 Cb 0.39 0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 1xsc n SER 149 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xsc n ILE 150 N -1.56 0.00 0.00 0.44 5.41 -0.80 -5.08 119.36 117.77 1xsc n ILE 150 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 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 1.21 0.00 0.00 0.00 176.55 177.76 1xsc n GLU 151 N 0.00 0.00 -1.85 0.38 4.07 -1.26 -5.09 120.64 116.89 1xsc n GLU 151 Ca 0.00 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.78 1xsc n GLU 151 Cb 0.00 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.41 1xsc n GLU 151 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xsc s ALA 152 N -1.00 2.71 -1.11 4.31 0.00 -1.26 -5.13 121.76 120.28 1xsc s ALA 152 Ca 0.00 0.27 0.09 0.00 0.00 0.00 0.00 51.96 52.32 1xsc s ALA 152 Cb 0.00 -3.21 0.07 0.00 0.00 0.00 0.00 23.12 19.98 1xsc s ALA 152 CO 0.00 -0.99 0.78 1.28 0.00 0.00 0.00 175.76 176.83