#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsc n PRO 2 N 0.00 0.62 -0.18 1.61 -0.04 -1.26 -2.90 135.00 132.84 1xsc n PRO 2 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1xsc n PRO 2 Cb 0.00 -1.25 0.15 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.43 2.82 0.00 1.53 4.32 -1.26 -4.90 117.00 119.94 1xsc n LEU 3 Ca 0.00 -2.66 0.00 0.00 -0.02 0.00 0.00 56.01 53.33 1xsc n LEU 3 Cb 0.23 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.69 1xsc n LEU 3 CO 0.00 0.66 0.00 0.61 -1.22 0.00 0.00 177.39 177.44 1xsc n GLY 4 N -0.65 -1.46 3.85 -0.72 0.00 -1.14 -5.17 105.19 99.90 1xsc n GLY 4 Ca 0.13 0.99 -0.31 0.00 0.00 0.00 0.00 46.02 46.83 1xsc n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsc s SER 5 N 0.00 6.15 0.15 1.61 1.04 -1.26 -5.06 113.70 116.33 1xsc s SER 5 Ca 0.00 1.49 -0.18 0.00 0.48 0.00 0.00 55.95 57.74 1xsc s SER 5 Cb 0.00 -2.48 0.06 0.00 0.10 0.00 0.00 66.02 63.70 1xsc s SER 5 CO 0.00 -0.92 0.88 1.15 0.98 0.00 0.00 173.24 175.32 1xsc n MET 6 N -2.57 0.55 -0.77 4.02 0.00 -1.26 -5.17 117.12 111.92 1xsc n MET 6 Ca 0.06 -1.25 0.10 0.00 0.00 0.00 0.00 57.70 56.61 1xsc n MET 6 Cb 0.54 1.70 -0.03 0.00 0.00 0.00 0.00 33.22 35.42 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 -1.11 -2.01 -2.59 3.17 0.00 -1.26 -4.92 120.51 111.79 1xsc n ALA 7 Ca -0.12 0.34 -0.32 0.00 0.00 0.00 0.00 53.44 53.35 1xsc n ALA 7 Cb 0.49 -0.75 -0.15 0.00 0.00 0.00 0.00 19.45 19.04 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 -5.83 2.26 -0.34 0.00 1.02 0.37 -4.92 118.68 111.24 1xsc s LEU 8 Ca 0.00 -0.42 -0.24 0.00 0.02 0.00 0.00 54.13 53.50 1xsc s LEU 8 Cb 0.00 -1.42 0.01 0.00 0.02 0.00 0.00 46.19 44.79 1xsc s LEU 8 CO 0.00 0.28 0.80 -0.13 0.02 0.00 0.00 176.35 177.32 1xsc s ARG 9 N -0.37 3.86 0.40 1.70 0.52 -1.26 0.70 118.95 124.50 1xsc s ARG 9 Ca 0.03 0.47 0.04 0.00 -0.52 0.00 0.00 55.73 55.75 1xsc s ARG 9 Cb -0.12 -3.77 -0.04 0.00 0.52 0.00 0.00 34.95 31.54 1xsc s ARG 9 CO 0.02 -0.78 0.07 0.00 0.02 0.00 0.00 175.30 174.63 1xsc s ALA 10 N 3.07 2.95 -0.29 2.13 0.00 0.26 -0.60 121.76 129.27 1xsc s ALA 10 Ca 0.33 -1.47 -0.14 0.00 0.00 0.00 0.00 51.96 50.68 1xsc s ALA 10 Cb -0.13 0.55 0.13 0.00 0.00 0.00 0.00 23.12 23.66 1xsc s ALA 10 CO 0.15 -0.26 0.80 0.00 0.00 0.00 0.00 175.76 176.45 1xsc s GLY 12 N 2.13 2.76 -0.12 0.00 0.00 0.72 -0.37 107.32 112.44 1xsc s GLY 12 Ca -0.07 -1.06 -0.00 0.00 0.00 0.00 0.00 44.72 43.59 1xsc s GLY 12 CO -0.18 -2.11 -0.08 1.08 0.00 0.00 0.00 173.10 171.81 1xsc s LEU 13 N -3.90 1.28 -0.94 0.66 1.43 -1.24 -3.06 118.68 112.91 1xsc s LEU 13 Ca 0.19 -0.37 -0.24 0.00 -1.03 0.00 0.00 54.13 52.69 1xsc s LEU 13 Cb 0.03 -0.88 0.02 0.00 0.03 0.00 0.00 46.19 45.39 1xsc s LEU 13 CO 0.10 -0.12 1.57 -0.63 0.23 0.00 0.00 176.35 177.51 1xsc s ILE 14 N 1.68 3.75 0.13 -0.59 -1.09 0.58 -4.76 121.20 120.90 1xsc s ILE 14 Ca 0.04 -0.49 -0.19 0.00 -2.23 0.00 0.00 60.65 57.79 1xsc s ILE 14 Cb -0.13 -4.73 -0.07 0.00 -1.58 0.00 0.00 42.46 35.95 1xsc s ILE 14 CO -0.08 -1.64 0.63 -0.63 -1.23 0.00 0.00 174.94 171.98 1xsc s ILE 15 N 6.51 4.67 -0.19 2.92 1.01 -1.25 0.19 121.20 135.06 1xsc s ILE 15 Ca 0.52 1.23 -0.08 0.00 0.00 0.00 0.00 60.65 62.32 1xsc s ILE 15 Cb -0.03 -3.89 0.08 0.00 0.01 0.00 0.00 42.46 38.63 1xsc s ILE 15 CO -0.03 0.42 0.42 0.72 0.00 0.00 0.00 174.94 176.47 1xsc s PHE 16 N -1.26 -0.76 -0.37 3.97 -0.71 0.77 -2.05 117.98 117.57 1xsc s PHE 16 Ca 0.34 1.49 -0.26 0.00 -1.04 0.00 0.00 56.93 57.46 1xsc s PHE 16 Cb -0.19 0.31 0.02 0.00 -1.21 0.00 0.00 43.02 41.95 1xsc s PHE 16 CO 0.20 -0.45 0.94 -0.98 -1.34 0.00 0.00 175.22 173.59 1xsc s ARG 17 N 2.33 3.85 -0.37 1.99 1.70 0.85 -3.62 118.95 125.68 1xsc s ARG 17 Ca -0.04 0.61 -0.13 0.00 -0.47 0.00 0.00 55.73 55.70 1xsc s ARG 17 Cb -0.11 -3.80 0.01 0.00 -0.57 0.00 0.00 34.95 30.47 1xsc s ARG 17 CO -0.13 -0.96 0.24 0.50 -1.08 0.00 0.00 175.30 173.87 1xsc s ARG 18 N 3.51 3.14 0.93 3.89 3.52 -1.26 -2.91 118.95 129.77 1xsc s ARG 18 Ca 0.39 -0.88 -0.10 0.00 -0.13 0.00 0.00 55.73 55.00 1xsc s ARG 18 Cb -0.12 -3.82 0.16 0.00 -1.56 0.00 0.00 34.95 29.61 1xsc s ARG 18 CO 0.19 -0.60 1.15 0.00 -0.81 0.00 0.00 175.30 175.22 1xsc h LEU 20 N -1.94 -1.40 -7.43 0.00 3.38 -1.97 -3.44 115.31 102.51 1xsc h LEU 20 Ca -0.44 0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1xsc h LEU 20 Cb 1.27 0.62 -0.17 0.00 0.09 0.00 0.00 40.66 42.48 1xsc h LEU 20 CO 0.41 -0.35 -0.15 0.27 0.09 0.00 0.00 178.44 178.71 1xsc s ILE 21 N -5.87 0.06 0.81 1.22 -5.25 -1.26 -5.16 121.20 105.75 1xsc s ILE 21 Ca -0.15 -0.51 -0.13 0.00 -0.99 0.00 0.00 60.65 58.88 1xsc s ILE 21 Cb 0.12 -0.92 0.09 0.00 2.95 0.00 0.00 42.46 44.70 1xsc s ILE 21 CO 0.66 -0.28 1.18 -2.84 -1.79 0.00 0.00 174.94 171.87 1xsc s PRO 22 N -2.37 1.66 0.00 0.37 0.02 -1.26 -5.01 135.00 128.41 1xsc s PRO 22 Ca -0.06 1.65 0.00 0.00 0.02 0.00 0.00 61.00 62.60 1xsc s PRO 22 Cb -0.01 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.72 1xsc s PRO 22 CO -0.02 -2.17 0.00 1.63 -0.33 0.00 0.00 177.00 176.11 1xsc n LYS 23 N -3.41 0.00 0.00 5.54 4.76 -1.26 -4.92 118.16 118.86 1xsc n LYS 23 Ca 0.13 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.69 1xsc n LYS 23 Cb 0.51 0.00 0.27 0.00 -1.84 0.00 0.00 35.03 33.97 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 -0.88 0.00 -2.50 -0.18 0.31 -1.26 -4.95 118.33 108.87 1xsc n VAL 24 Ca 0.00 -0.21 -0.13 0.00 -0.01 0.00 0.00 64.34 63.99 1xsc n VAL 24 Cb 0.00 0.73 0.01 0.00 -0.91 0.00 0.00 33.84 33.67 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 -0.21 -4.20 -0.01 4.52 9.92 -1.26 -4.96 116.55 120.34 1xsc n ASP 25 Ca 0.12 -0.10 -0.01 0.00 -0.53 0.00 0.00 54.79 54.28 1xsc n ASP 25 Cb 0.40 -3.23 -0.00 0.00 -0.64 0.00 0.00 41.12 37.65 1xsc n ASP 25 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1xsc h ASN 26 N -0.46 0.00 -2.31 -2.24 -1.07 -2.02 -3.47 115.58 104.00 1xsc h ASN 26 Ca -0.32 0.00 -0.40 0.00 0.07 0.00 0.00 56.30 55.66 1xsc h ASN 26 Cb 1.23 0.00 -0.35 0.00 -2.07 0.00 0.00 38.32 37.13 1xsc h ASN 26 CO 0.35 0.10 -0.69 0.54 0.07 0.00 0.00 177.43 177.81 1xsc s ASN 27 N -3.79 2.17 -0.16 6.14 4.22 -1.26 -5.02 114.94 117.23 1xsc s ASN 27 Ca -0.02 -1.04 -0.21 0.00 -2.14 0.00 0.00 52.86 49.45 1xsc s ASN 27 Cb 0.00 0.25 -0.23 0.00 1.28 0.00 0.00 41.25 42.55 1xsc s ASN 27 CO 0.03 -0.39 0.42 0.00 -2.04 0.00 0.00 177.10 175.12 1xsc h ALA 28 N 8.12 0.20 -3.25 3.54 0.00 -1.92 -3.47 119.26 122.48 1xsc h ALA 28 Ca -0.12 -1.05 -0.67 0.00 0.00 0.00 0.00 54.91 53.07 1xsc h ALA 28 Cb 1.05 0.53 -0.13 0.00 0.00 0.00 0.00 17.79 19.24 1xsc h ALA 28 CO 0.35 0.64 -0.61 0.42 0.00 0.00 0.00 179.25 180.04 1xsc s ILE 29 N -2.38 4.42 -0.02 0.00 1.01 -1.26 -3.37 121.20 119.59 1xsc s ILE 29 Ca -0.24 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 59.99 1xsc s ILE 29 Cb 0.04 -2.95 0.02 0.00 0.01 0.00 0.00 42.46 39.57 1xsc s ILE 29 CO 0.67 0.44 -0.02 -1.61 0.00 0.00 0.00 174.94 174.42 1xsc s GLU 30 N -1.42 0.35 0.04 2.79 8.01 -1.15 -4.37 118.70 122.96 1xsc s GLU 30 Ca 0.19 -0.01 -0.10 0.00 0.01 0.00 0.00 54.97 55.06 1xsc s GLU 30 Cb -0.12 -0.45 -0.05 0.00 -4.31 0.00 0.00 34.13 29.19 1xsc s GLU 30 CO 0.09 -0.06 0.37 -0.06 0.01 0.00 0.00 175.26 175.61 1xsc s PHE 31 N 0.67 3.62 0.07 1.61 0.08 0.17 -0.10 117.98 124.09 1xsc s PHE 31 Ca -0.07 0.79 -0.30 0.00 0.12 0.00 0.00 56.93 57.47 1xsc s PHE 31 Cb -0.10 -2.15 -0.05 0.00 -0.57 0.00 0.00 43.02 40.15 1xsc s PHE 31 CO -0.01 0.57 0.98 -1.17 -0.10 0.00 0.00 175.22 175.50 1xsc s LEU 32 N -1.64 4.45 -0.00 -0.37 2.96 -0.87 -2.49 118.68 120.72 1xsc s LEU 32 Ca 0.29 1.77 0.02 0.00 -0.22 0.00 0.00 54.13 55.99 1xsc s LEU 32 Cb -0.14 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 1xsc s LEU 32 CO 0.16 -0.16 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.21 1xsc s LEU 33 N 0.38 2.03 -0.16 -0.68 1.43 0.05 -4.54 118.68 117.20 1xsc s LEU 33 Ca 0.49 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 1xsc s LEU 33 Cb -0.23 -0.32 0.01 0.00 0.03 0.00 0.00 46.19 45.67 1xsc s LEU 33 CO 0.29 0.06 -0.17 -0.76 0.23 0.00 0.00 176.35 176.00 1xsc s LEU 34 N -0.26 2.33 0.60 1.79 1.43 -1.20 -0.40 118.68 122.97 1xsc s LEU 34 Ca 0.02 -0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 52.40 1xsc s LEU 34 Cb -0.03 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 1xsc s LEU 34 CO -0.00 0.06 1.14 -1.58 0.23 0.00 0.00 176.35 176.20 1xsc s GLN 35 N 0.96 3.06 0.08 1.70 0.74 0.20 -0.75 119.66 125.64 1xsc s GLN 35 Ca -0.03 1.59 0.27 0.00 0.05 0.00 0.00 55.36 57.24 1xsc s GLN 35 Cb -0.15 -1.97 0.84 0.00 1.10 0.00 0.00 33.01 32.83 1xsc s GLN 35 CO -0.04 -1.08 1.69 0.00 -0.55 0.00 0.00 175.29 175.32 1xsc n ALA 36 N -1.76 2.64 0.00 1.58 0.00 -0.18 -3.48 120.51 119.31 1xsc n ALA 36 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1xsc n ALA 36 Cb 0.51 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1xsc n ALA 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xsc n SER 37 N -1.81 0.00 -3.31 0.00 2.88 -1.24 -4.51 113.62 105.64 1xsc n SER 37 Ca 0.06 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.47 1xsc n SER 37 Cb 0.38 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1xsc n SER 37 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1xsc n ASP 38 N 2.44 1.89 0.00 -3.46 8.00 -1.26 -4.76 116.55 119.40 1xsc n ASP 38 Ca 0.00 -1.89 0.00 0.00 0.71 0.00 0.00 54.79 53.61 1xsc n ASP 38 Cb 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1xsc n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xsc n GLY 39 N 1.96 2.46 0.11 0.44 0.00 -1.26 -2.00 105.19 106.90 1xsc n GLY 39 Ca -0.02 -0.36 0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.90 -0.61 3.06 -1.26 -4.89 119.36 113.78 1xsc n ILE 40 Ca 0.00 -0.06 -0.20 0.00 -2.50 0.00 0.00 62.75 59.99 1xsc n ILE 40 Cb 0.00 -0.24 -0.05 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 -0.68 -0.38 -1.76 9.51 8.25 -0.85 -4.93 115.22 124.38 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 0.16 -3.51 0.05 0.00 1.12 0.00 0.00 29.99 27.81 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 -2.83 2.18 -0.38 4.41 -3.43 -1.26 -4.19 115.29 109.78 1xsc s HIS 42 Ca 0.00 1.42 -0.12 0.00 -0.80 0.00 0.00 55.06 55.56 1xsc s HIS 42 Cb 0.00 -3.76 0.02 0.00 -1.43 0.00 0.00 32.58 27.42 1xsc s HIS 42 CO 0.00 -2.93 0.23 -1.58 -2.00 0.00 0.00 174.74 168.46 1xsc s TRP 43 N -1.34 3.24 -0.08 0.38 0.52 -1.22 -1.01 118.94 119.42 1xsc s TRP 43 Ca 0.77 -0.83 0.02 0.00 0.02 0.00 0.00 56.10 56.08 1xsc s TRP 43 Cb -0.39 -2.48 0.01 0.00 -1.15 0.00 0.00 33.47 29.46 1xsc s TRP 43 CO 0.44 -0.62 -0.14 0.95 0.02 0.00 0.00 176.95 177.60 1xsc s THR 44 N 1.59 1.33 1.13 2.01 -4.23 0.07 -3.97 115.64 113.56 1xsc s THR 44 Ca 0.03 -0.57 -0.15 0.00 -1.18 0.00 0.00 61.69 59.81 1xsc s THR 44 Cb -0.19 -1.20 0.18 0.00 1.34 0.00 0.00 72.50 72.63 1xsc s THR 44 CO 0.08 0.40 0.53 -2.65 -0.54 0.00 0.00 174.62 172.44 1xsc n PRO 45 N 3.92 -1.84 -1.55 3.99 -0.02 -1.26 -3.26 135.00 134.98 1xsc n PRO 45 Ca -0.21 -0.51 -0.37 0.00 -2.02 0.00 0.00 63.50 60.39 1xsc n PRO 45 Cb 0.52 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.02 1xsc n PRO 45 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1xsc n PRO 46 N -3.42 1.12 -3.98 0.52 -0.04 -1.26 -4.85 135.00 123.09 1xsc n PRO 46 Ca 0.03 0.05 -0.35 0.00 -0.04 0.00 0.00 63.50 63.19 1xsc n PRO 46 Cb 0.57 -3.42 -0.10 0.00 -0.04 0.00 0.00 33.50 30.52 1xsc n PRO 46 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1xsc s LYS 47 N 8.11 3.98 0.53 0.54 1.02 -1.26 -3.64 119.74 129.01 1xsc s LYS 47 Ca 0.99 -0.34 0.04 0.00 0.02 0.00 0.00 55.97 56.68 1xsc s LYS 47 Cb -0.20 -3.23 0.04 0.00 -0.52 0.00 0.00 37.83 33.92 1xsc s LYS 47 CO 0.27 0.26 0.34 0.41 -0.92 0.00 0.00 175.35 175.72 1xsc n GLY 48 N 3.58 2.86 3.04 -3.33 0.00 0.50 -4.91 105.19 106.93 1xsc n GLY 48 Ca -0.16 -2.30 -0.31 0.00 0.00 0.00 0.00 46.02 43.24 1xsc n GLY 48 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xsc s HIS 49 N -2.65 3.52 0.02 1.61 3.76 -1.26 -1.24 115.29 119.05 1xsc s HIS 49 Ca 0.26 -2.68 -0.30 0.00 -0.15 0.00 0.00 55.06 52.19 1xsc s HIS 49 Cb -0.02 -2.44 -0.04 0.00 1.11 0.00 0.00 32.58 31.18 1xsc s HIS 49 CO 0.17 -0.92 1.13 0.54 -0.85 0.00 0.00 174.74 174.81 1xsc s VAL 50 N 1.00 4.33 0.70 -0.90 0.11 0.23 -4.93 120.40 120.94 1xsc s VAL 50 Ca 0.01 1.67 -0.00 0.00 -2.93 0.00 0.00 61.98 60.73 1xsc s VAL 50 Cb -0.19 -4.07 0.12 0.00 -1.53 0.00 0.00 36.38 30.70 1xsc s VAL 50 CO -0.07 0.10 0.96 -1.83 -3.33 0.00 0.00 175.10 170.94 1xsc s GLU 51 N 1.27 1.80 0.07 1.54 -1.05 -1.26 -4.47 118.70 116.59 1xsc s GLU 51 Ca 0.56 -1.10 -0.36 0.00 -0.15 0.00 0.00 54.97 53.91 1xsc s GLU 51 Cb -0.26 -2.36 -0.19 0.00 -0.44 0.00 0.00 34.13 30.88 1xsc s GLU 51 CO 0.27 -1.35 1.55 -1.35 0.95 0.00 0.00 175.26 175.34 1xsc h PRO 52 N -0.43 -1.12 -0.00 -4.83 0.11 -1.99 -2.74 132.00 120.99 1xsc h PRO 52 Ca -0.37 0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1xsc h PRO 52 Cb 1.27 0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.64 1xsc h PRO 52 CO 0.41 -0.75 0.00 0.41 -0.21 0.00 0.00 178.00 177.87 1xsc n GLY 53 N -1.61 -0.84 3.88 -0.55 0.00 -1.26 -4.85 105.19 99.95 1xsc n GLY 53 Ca -0.14 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.00 1.42 0.24 1.61 2.12 -1.03 -5.07 118.70 115.99 1xsc s GLU 54 Ca 0.46 0.03 0.03 0.00 0.36 0.00 0.00 54.97 55.85 1xsc s GLU 54 Cb 0.22 -1.90 -0.03 0.00 0.26 0.00 0.00 34.13 32.68 1xsc s GLU 54 CO 0.36 -1.96 0.39 0.34 -0.54 0.00 0.00 175.26 173.85 1xsc s ASP 55 N -4.52 6.33 -0.01 -1.70 2.15 -1.26 -4.78 116.67 112.87 1xsc s ASP 55 Ca 0.65 0.19 -0.11 0.00 0.43 0.00 0.00 52.55 53.71 1xsc s ASP 55 Cb -0.10 -1.92 -0.06 0.00 -0.30 0.00 0.00 42.92 40.54 1xsc s ASP 55 CO 0.51 -0.09 0.66 -0.78 -0.17 0.00 0.00 175.17 175.30 1xsc h ASP 56 N 1.32 -0.35 -0.59 -0.34 1.82 -1.97 -3.09 116.42 113.22 1xsc h ASP 56 Ca -0.51 0.01 -0.08 0.00 -0.39 0.00 0.00 57.03 56.07 1xsc h ASP 56 Cb 1.22 0.09 -0.02 0.00 0.68 0.00 0.00 39.33 41.29 1xsc h ASP 56 CO 0.63 -0.09 0.07 0.25 -1.61 0.00 0.00 179.24 178.49 1xsc h LEU 57 N -0.71 0.98 -0.76 2.28 5.85 -1.97 -2.93 115.31 118.05 1xsc h LEU 57 Ca -0.04 -0.24 0.17 0.00 0.84 0.00 0.00 57.88 58.61 1xsc h LEU 57 Cb 0.31 -0.26 -0.11 0.00 0.37 0.00 0.00 40.66 40.97 1xsc h LEU 57 CO 0.07 0.99 0.20 -0.33 -0.34 0.00 0.00 178.44 179.03 1xsc h GLU 58 N 0.95 0.28 -0.15 1.25 5.08 -1.98 1.23 114.58 121.25 1xsc h GLU 58 Ca 0.19 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1xsc h GLU 58 Cb 0.45 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1xsc h GLU 58 CO 0.02 0.19 0.09 1.15 -1.00 0.00 0.00 179.01 179.45 1xsc h THR 59 N 0.29 1.03 0.00 1.13 2.02 -1.42 1.40 112.91 117.35 1xsc h THR 59 Ca 0.43 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.51 1xsc h THR 59 Cb 0.75 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1xsc h THR 59 CO -0.51 0.03 -0.19 0.00 0.37 0.00 0.00 175.52 175.23 1xsc h ALA 60 N 1.06 1.49 0.03 6.16 0.00 -0.78 0.30 119.26 127.53 1xsc h ALA 60 Ca 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xsc h ALA 60 Cb -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xsc h ALA 60 CO -0.02 0.23 -0.01 -0.07 0.00 0.00 0.00 179.25 179.38 1xsc h LEU 61 N 0.00 -0.04 -1.24 0.00 3.38 0.28 -2.40 115.31 115.30 1xsc h LEU 61 Ca -0.00 -0.68 -0.04 0.00 0.09 0.00 0.00 57.88 57.25 1xsc h LEU 61 Cb 0.38 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1xsc h LEU 61 CO 0.02 0.72 0.10 0.03 0.09 0.00 0.00 178.44 179.41 1xsc h ARG 62 N -0.86 0.63 -0.53 1.13 3.08 0.20 -1.59 114.38 116.44 1xsc h ARG 62 Ca -0.00 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 1xsc h ARG 62 Cb 0.71 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1xsc h ARG 62 CO 0.01 0.58 -0.01 0.00 -1.07 0.00 0.00 179.97 179.47 1xsc h ALA 63 N 1.50 0.98 -0.09 0.04 0.00 -0.47 0.33 119.26 121.55 1xsc h ALA 63 Ca 0.14 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1xsc h ALA 63 Cb 0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1xsc h ALA 63 CO -0.00 0.62 -0.10 1.15 0.00 0.00 0.00 179.25 180.91 1xsc h THR 64 N 0.84 0.71 0.00 0.00 2.02 -0.76 0.36 112.91 116.08 1xsc h THR 64 Ca 0.16 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 1xsc h THR 64 Cb 0.51 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1xsc h THR 64 CO 0.03 0.00 -0.16 0.06 0.37 0.00 0.00 175.52 175.82 1xsc h GLN 65 N -0.13 0.00 -0.00 6.66 3.07 -0.03 1.00 115.11 125.68 1xsc h GLN 65 Ca 0.07 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.58 1xsc h GLN 65 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.80 1xsc h GLN 65 CO -0.17 0.16 -0.94 0.93 0.09 0.00 0.00 178.83 178.89 1xsc h GLU 66 N 0.00 0.42 -0.01 0.06 5.08 0.67 0.16 114.58 120.96 1xsc h GLU 66 Ca -0.00 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1xsc h GLU 66 Cb 0.92 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1xsc h GLU 66 CO 0.02 1.11 -0.20 0.39 -1.00 0.00 0.00 179.01 179.33 1xsc n GLU 67 N -3.75 2.27 0.00 2.33 -0.58 0.12 -4.15 120.64 116.87 1xsc n GLU 67 Ca -0.07 -0.54 0.00 0.00 -0.42 0.00 0.00 57.16 56.14 1xsc n GLU 67 Cb 0.84 -1.04 0.00 0.00 -0.57 0.00 0.00 31.44 30.66 1xsc n GLU 67 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsc n ALA 68 N -0.33 0.33 -0.19 0.62 0.00 0.34 -3.53 120.51 117.76 1xsc n ALA 68 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1xsc n ALA 68 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 0.10 1.65 3.72 0.00 0.00 0.55 -0.39 105.19 110.81 1xsc n GLY 69 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1xsc n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsc s ILE 70 N -2.44 5.31 0.42 -0.61 1.01 -1.22 -4.68 121.20 118.98 1xsc s ILE 70 Ca 0.00 0.51 0.07 0.00 0.00 0.00 0.00 60.65 61.23 1xsc s ILE 70 Cb 0.00 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 1xsc s ILE 70 CO 0.00 0.37 0.27 -1.83 0.00 0.00 0.00 174.94 173.76 1xsc s GLU 71 N 0.60 2.36 0.41 2.79 -1.05 -1.26 -0.06 118.70 122.50 1xsc s GLU 71 Ca 0.15 -1.71 0.23 0.00 -0.15 0.00 0.00 54.97 53.49 1xsc s GLU 71 Cb -0.13 -2.16 1.23 0.00 -0.44 0.00 0.00 34.13 32.63 1xsc s GLU 71 CO 0.04 -0.16 1.71 0.00 0.95 0.00 0.00 175.26 177.79 1xsc h ALA 72 N 1.23 2.42 0.00 -0.84 0.00 -1.89 1.13 119.26 121.31 1xsc h ALA 72 Ca -0.42 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1xsc h ALA 72 Cb 1.26 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1xsc h ALA 72 CO 0.64 -0.92 -0.16 0.78 0.00 0.00 0.00 179.25 179.59 1xsc h GLY 73 N 0.26 0.00 -0.78 0.00 0.00 -1.99 -2.48 103.07 98.09 1xsc h GLY 73 Ca 0.69 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.02 1xsc h GLY 73 CO -0.35 0.00 -0.35 -1.06 0.00 0.00 0.00 176.54 174.78 1xsc n GLN 74 N -3.49 1.27 -2.23 4.80 1.13 0.38 -4.96 117.38 114.28 1xsc n GLN 74 Ca -0.01 -0.98 -0.02 0.00 -1.94 0.00 0.00 57.00 54.04 1xsc n GLN 74 Cb 0.32 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 29.18 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 -0.01 0.00 -3.69 1.08 -0.00 -0.74 -1.56 117.00 112.08 1xsc n LEU 75 Ca 0.11 -0.30 -0.30 0.00 -0.00 0.00 0.00 56.01 55.52 1xsc n LEU 75 Cb 0.45 0.11 -0.15 0.00 -0.00 0.00 0.00 43.42 43.83 1xsc n LEU 75 CO 0.26 -0.05 -0.33 -0.89 -0.00 0.00 0.00 177.39 176.38 1xsc s THR 76 N -1.73 0.68 -0.30 1.47 2.01 0.26 -4.76 115.64 113.27 1xsc s THR 76 Ca 0.02 -1.26 -0.29 0.00 0.31 0.00 0.00 61.69 60.47 1xsc s THR 76 Cb 0.00 -1.52 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 1xsc s THR 76 CO 0.02 -0.69 1.51 -0.63 -0.69 0.00 0.00 174.62 174.14 1xsc s ILE 77 N 1.72 3.83 0.39 1.82 -1.09 -1.25 -1.32 121.20 125.30 1xsc s ILE 77 Ca 0.10 0.90 -0.25 0.00 -2.23 0.00 0.00 60.65 59.17 1xsc s ILE 77 Cb -0.17 -3.93 -0.09 0.00 -1.58 0.00 0.00 42.46 36.69 1xsc s ILE 77 CO -0.28 -0.47 1.09 -0.63 -1.23 0.00 0.00 174.94 173.43 1xsc s ILE 78 N 5.28 3.50 0.04 2.92 1.09 0.24 -4.96 121.20 129.32 1xsc s ILE 78 Ca 0.66 1.21 -0.01 0.00 -1.10 0.00 0.00 60.65 61.42 1xsc s ILE 78 Cb -0.20 -3.65 -0.04 0.00 -1.06 0.00 0.00 42.46 37.51 1xsc s ILE 78 CO 0.29 0.06 0.20 -1.61 -0.10 0.00 0.00 174.94 173.78 1xsc s GLU 79 N -2.36 3.42 0.00 2.79 2.02 -1.26 -4.35 118.70 118.96 1xsc s GLU 79 Ca 0.57 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 55.14 1xsc s GLU 79 Cb -0.26 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 30.93 1xsc s GLU 79 CO 0.32 0.63 0.00 0.41 0.02 0.00 0.00 175.26 176.64 1xsc n GLY 80 N 0.47 2.60 3.34 -1.39 0.00 -1.26 -5.02 105.19 103.93 1xsc n GLY 80 Ca -0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.74 3.25 -0.04 1.61 2.19 -1.26 -5.04 117.98 115.95 1xsc s PHE 81 Ca 0.00 -1.14 0.04 0.00 0.33 0.00 0.00 56.93 56.16 1xsc s PHE 81 Cb 0.00 -3.49 -0.00 0.00 -1.31 0.00 0.00 43.02 38.21 1xsc s PHE 81 CO 0.00 -0.91 -0.17 0.21 1.83 0.00 0.00 175.22 176.17 1xsc s LYS 82 N 1.61 1.76 -0.17 10.12 2.47 -1.26 -4.44 119.74 129.83 1xsc s LYS 82 Ca 0.04 -0.61 -0.28 0.00 -1.56 0.00 0.00 55.97 53.55 1xsc s LYS 82 Cb -0.27 -1.54 0.09 0.00 -1.46 0.00 0.00 37.83 34.65 1xsc s LYS 82 CO 0.05 0.25 0.83 0.50 0.16 0.00 0.00 175.35 177.14 1xsc s ARG 83 N 0.01 0.80 -0.11 4.03 3.52 -1.24 -5.00 118.95 120.96 1xsc s ARG 83 Ca -0.03 0.46 -0.02 0.00 -0.13 0.00 0.00 55.73 56.01 1xsc s ARG 83 Cb -0.11 0.38 0.04 0.00 -1.56 0.00 0.00 34.95 33.70 1xsc s ARG 83 CO 0.02 -0.19 0.02 -1.83 -0.81 0.00 0.00 175.30 172.51 1xsc s GLU 84 N -0.56 0.50 -0.22 5.12 1.03 -1.24 0.11 118.70 123.44 1xsc s GLU 84 Ca -0.04 -0.02 -0.29 0.00 0.03 0.00 0.00 54.97 54.65 1xsc s GLU 84 Cb -0.02 -1.31 0.00 0.00 -0.80 0.00 0.00 34.13 32.00 1xsc s GLU 84 CO 0.03 -0.43 1.16 -0.51 -1.33 0.00 0.00 175.26 174.18 1xsc s LEU 85 N 1.98 4.09 -0.22 1.83 1.43 0.23 -4.66 118.68 123.37 1xsc s LEU 85 Ca 0.03 1.45 -0.03 0.00 -1.03 0.00 0.00 54.13 54.55 1xsc s LEU 85 Cb -0.14 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 1xsc s LEU 85 CO -0.06 -0.77 -0.06 0.20 0.23 0.00 0.00 176.35 175.89 1xsc s ASN 86 N 1.70 4.17 -0.22 2.29 0.01 -1.26 -0.26 114.94 121.37 1xsc s ASN 86 Ca 0.50 -0.42 -0.27 0.00 -0.71 0.00 0.00 52.86 51.95 1xsc s ASN 86 Cb -0.17 -1.71 0.12 0.00 0.41 0.00 0.00 41.25 39.89 1xsc s ASN 86 CO 0.12 -0.02 0.98 -0.72 -1.51 0.00 0.00 177.10 175.95 1xsc s TYR 87 N 1.46 -0.47 -0.35 2.20 -0.85 -1.22 -4.95 117.35 113.17 1xsc s TYR 87 Ca 0.06 1.01 -0.28 0.00 -0.52 0.00 0.00 57.07 57.34 1xsc s TYR 87 Cb -0.14 0.39 0.02 0.00 0.38 0.00 0.00 41.96 42.61 1xsc s TYR 87 CO -0.04 -0.31 1.01 0.54 -1.52 0.00 0.00 175.55 175.23 1xsc s VAL 88 N -0.35 4.53 0.00 -3.49 0.11 -1.26 -0.74 120.40 119.20 1xsc s VAL 88 Ca 0.00 1.48 0.00 0.00 -2.93 0.00 0.00 61.98 60.54 1xsc s VAL 88 Cb -0.03 -4.38 0.00 0.00 -1.53 0.00 0.00 36.38 30.44 1xsc s VAL 88 CO -0.02 -0.52 0.00 0.00 -3.33 0.00 0.00 175.10 171.23 1xsc n ALA 89 N 6.86 0.00 0.09 1.54 0.00 -0.54 -4.71 120.51 123.74 1xsc n ALA 89 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.38 1xsc n ALA 89 Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 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 0.34 0.00 0.00 -0.00 -2.04 -3.43 114.38 109.25 1xsc h ARG 90 Ca 0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 59.98 59.50 1xsc h ARG 90 Cb 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 29.97 30.14 1xsc h ARG 90 CO 0.00 1.19 0.00 0.09 -0.00 0.00 0.00 179.97 181.25 1xsc n ASN 91 N -3.63 0.00 -3.69 0.08 3.02 -1.26 -5.14 115.26 104.64 1xsc n ASN 91 Ca -0.08 -0.27 -0.11 0.00 -0.03 0.00 0.00 54.58 54.09 1xsc n ASN 91 Cb 0.95 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 40.01 1xsc n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1xsc s LYS 92 N 0.00 0.35 -0.19 3.52 2.47 -1.26 -5.07 119.74 119.55 1xsc s LYS 92 Ca 0.00 0.78 -0.29 0.00 -1.56 0.00 0.00 55.97 54.90 1xsc s LYS 92 Cb 0.00 0.00 -0.02 0.00 -1.46 0.00 0.00 37.83 36.36 1xsc s LYS 92 CO 0.00 -0.18 1.34 -1.25 0.16 0.00 0.00 175.35 175.43 1xsc s PRO 93 N 1.57 4.11 -0.26 4.03 0.04 -1.26 -1.47 135.00 141.77 1xsc s PRO 93 Ca -0.08 1.61 -0.10 0.00 0.04 0.00 0.00 61.00 62.47 1xsc s PRO 93 Cb -0.09 -3.84 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 1xsc s PRO 93 CO -0.12 -0.88 0.15 0.21 0.04 0.00 0.00 177.00 176.40 1xsc s LYS 94 N 3.82 3.92 -0.50 4.56 2.20 0.08 0.14 119.74 133.96 1xsc s LYS 94 Ca 0.58 -0.34 -0.24 0.00 -0.36 0.00 0.00 55.97 55.61 1xsc s LYS 94 Cb -0.22 -3.53 0.03 0.00 -1.51 0.00 0.00 37.83 32.60 1xsc s LYS 94 CO 0.19 -0.10 0.89 0.99 -0.36 0.00 0.00 175.35 176.97 1xsc s THR 95 N 1.48 4.49 -0.39 3.43 2.01 0.22 -3.45 115.64 123.43 1xsc s THR 95 Ca 0.07 0.43 -0.10 0.00 0.31 0.00 0.00 61.69 62.40 1xsc s THR 95 Cb -0.15 -4.45 0.05 0.00 0.01 0.00 0.00 72.50 67.96 1xsc s THR 95 CO 0.07 -0.93 0.21 -0.69 -0.69 0.00 0.00 174.62 172.60 1xsc s VAL 96 N 3.70 4.35 -0.16 3.82 1.01 0.64 0.89 120.40 134.64 1xsc s VAL 96 Ca 0.32 -1.09 -0.24 0.00 0.00 0.00 0.00 61.98 60.96 1xsc s VAL 96 Cb -0.12 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1xsc s VAL 96 CO 0.22 -0.33 0.76 -0.63 0.00 0.00 0.00 175.10 175.12 1xsc s ILE 97 N 1.49 4.94 -0.14 2.22 -1.09 -1.09 0.76 121.20 128.29 1xsc s ILE 97 Ca 0.02 1.49 -0.02 0.00 -2.23 0.00 0.00 60.65 59.91 1xsc s ILE 97 Cb -0.21 -4.07 -0.02 0.00 -1.58 0.00 0.00 42.46 36.58 1xsc s ILE 97 CO 0.05 0.09 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.46 1xsc s TYR 98 N 1.84 2.95 0.13 3.97 2.02 0.30 -0.20 117.35 128.36 1xsc s TYR 98 Ca 0.36 -0.37 0.09 0.00 -0.37 0.00 0.00 57.07 56.78 1xsc s TYR 98 Cb -0.17 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 1xsc s TYR 98 CO 0.13 -0.06 -0.18 -1.58 -1.57 0.00 0.00 175.55 172.29 1xsc s TRP 99 N 0.25 2.52 0.08 2.71 0.51 -1.17 -3.59 118.94 120.25 1xsc s TRP 99 Ca -0.05 -0.27 -0.30 0.00 -2.12 0.00 0.00 56.10 53.36 1xsc s TRP 99 Cb -0.14 -1.33 -0.05 0.00 -0.81 0.00 0.00 33.47 31.14 1xsc s TRP 99 CO 0.04 0.40 1.01 -0.51 -0.51 0.00 0.00 176.95 177.37 1xsc s LEU 100 N -2.22 4.45 0.00 2.99 1.43 -1.26 0.21 118.68 124.29 1xsc s LEU 100 Ca 0.18 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 1xsc s LEU 100 Cb -0.10 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.53 1xsc s LEU 100 CO 0.10 -0.18 -0.00 0.00 0.23 0.00 0.00 176.35 176.50 1xsc s ALA 101 N 0.39 0.01 -0.21 4.21 0.00 0.49 0.82 121.76 127.47 1xsc s ALA 101 Ca 0.50 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.41 1xsc s ALA 101 Cb -0.24 0.01 0.05 0.00 0.00 0.00 0.00 23.12 22.94 1xsc s ALA 101 CO 0.30 -0.01 -0.10 -2.00 0.00 0.00 0.00 175.76 173.95 1xsc s GLU 102 N -0.14 2.01 -0.37 0.00 2.12 -0.44 0.27 118.70 122.15 1xsc s GLU 102 Ca -0.02 -0.93 -0.29 0.00 0.36 0.00 0.00 54.97 54.10 1xsc s GLU 102 Cb -0.01 -2.51 -0.00 0.00 0.26 0.00 0.00 34.13 31.87 1xsc s GLU 102 CO -0.00 -0.47 1.56 0.14 -0.54 0.00 0.00 175.26 175.95 1xsc s VAL 103 N 1.36 3.74 -0.37 3.70 -7.23 -1.24 0.91 120.40 121.27 1xsc s VAL 103 Ca -0.03 0.76 0.15 0.00 -1.81 0.00 0.00 61.98 61.04 1xsc s VAL 103 Cb -0.17 -3.98 0.15 0.00 0.56 0.00 0.00 36.38 32.94 1xsc s VAL 103 CO -0.08 -0.61 1.42 2.29 -0.31 0.00 0.00 175.10 177.82 1xsc n LYS 104 N 8.19 0.09 -3.76 4.82 0.00 -0.60 -4.34 118.16 122.56 1xsc n LYS 104 Ca 0.19 0.58 -0.37 0.00 -0.00 0.00 0.00 58.31 58.71 1xsc n LYS 104 Cb 0.47 -1.86 -0.13 0.00 -0.00 0.00 0.00 35.03 33.52 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 -3.65 5.14 0.19 -5.58 3.68 -1.26 -4.97 116.67 110.22 1xsc s ASP 105 Ca -0.02 -0.71 -0.11 0.00 2.13 0.00 0.00 52.55 53.84 1xsc s ASP 105 Cb 0.04 -1.88 0.11 0.00 -1.45 0.00 0.00 42.92 39.74 1xsc s ASP 105 CO 0.13 -0.19 1.79 0.22 0.13 0.00 0.00 175.17 177.25 1xsc h TYR 106 N 8.24 0.93 -0.66 -5.34 5.03 -1.99 -1.61 116.97 121.56 1xsc h TYR 106 Ca -0.31 -0.03 -0.23 0.00 2.58 0.00 0.00 58.73 60.74 1xsc h TYR 106 Cb 1.13 -0.29 -0.13 0.00 1.55 0.00 0.00 36.73 38.98 1xsc h TYR 106 CO 0.61 0.68 0.29 -0.40 -1.32 0.00 0.00 178.16 178.01 1xsc n ASP 107 N -4.50 4.26 -4.50 -2.11 5.75 -1.26 -4.99 116.55 109.20 1xsc n ASP 107 Ca 0.05 -3.07 -0.40 0.00 -0.01 0.00 0.00 54.79 51.36 1xsc n ASP 107 Cb 0.10 -0.72 0.02 0.00 -1.03 0.00 0.00 41.12 39.50 1xsc n ASP 107 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1xsc n VAL 108 N -0.20 2.24 -2.39 2.12 3.14 -0.61 -4.91 118.33 117.72 1xsc n VAL 108 Ca 0.37 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 60.86 1xsc n VAL 108 Cb 1.27 -0.76 -0.03 0.00 -1.06 0.00 0.00 33.84 33.26 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 -1.95 4.30 -0.36 1.45 1.03 -1.26 -5.02 118.70 116.89 1xsc s GLU 109 Ca 0.66 1.79 0.03 0.00 0.03 0.00 0.00 54.97 57.49 1xsc s GLU 109 Cb -0.52 -2.86 0.10 0.00 -0.80 0.00 0.00 34.13 30.06 1xsc s GLU 109 CO 0.55 -0.09 0.08 0.42 -1.33 0.00 0.00 175.26 174.90 1xsc s ILE 110 N -1.35 2.15 -0.52 1.83 -1.09 -1.24 -4.25 121.20 116.72 1xsc s ILE 110 Ca 0.52 -2.36 -0.16 0.00 -2.23 0.00 0.00 60.65 56.42 1xsc s ILE 110 Cb -0.30 -2.58 0.11 0.00 -1.58 0.00 0.00 42.46 38.11 1xsc s ILE 110 CO 0.38 -0.64 0.50 -0.13 -1.23 0.00 0.00 174.94 173.83 1xsc s ARG 111 N 0.83 3.00 0.41 2.79 0.52 0.48 -4.84 118.95 122.14 1xsc s ARG 111 Ca 0.12 -1.50 -0.01 0.00 -0.52 0.00 0.00 55.73 53.81 1xsc s ARG 111 Cb -0.20 -4.23 -0.03 0.00 0.52 0.00 0.00 34.95 31.01 1xsc s ARG 111 CO -0.09 -1.26 0.64 -0.51 0.02 0.00 0.00 175.30 174.10 1xsc s LEU 112 N 1.81 3.83 0.00 2.53 1.43 -1.23 -0.90 118.68 126.16 1xsc s LEU 112 Ca 0.05 0.56 -0.00 0.00 -1.03 0.00 0.00 54.13 53.71 1xsc s LEU 112 Cb -0.27 -3.45 0.01 0.00 0.03 0.00 0.00 46.19 42.51 1xsc s LEU 112 CO 0.05 -0.45 0.09 -1.54 0.23 0.00 0.00 176.35 174.73 1xsc n SER 113 N -1.98 0.08 0.01 2.29 3.41 -1.26 -4.91 113.62 111.25 1xsc n SER 113 Ca -0.02 -1.08 -0.03 0.00 -0.26 0.00 0.00 58.87 57.49 1xsc n SER 113 Cb 0.56 -0.06 0.22 0.00 -0.26 0.00 0.00 64.21 64.67 1xsc n SER 113 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1xsc h HIS 114 N -0.62 0.55 0.00 7.33 2.76 -1.99 -2.22 115.15 120.96 1xsc h HIS 114 Ca -0.03 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.04 1xsc h HIS 114 Cb 0.10 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 28.92 1xsc h HIS 114 CO 0.00 0.66 0.00 -1.91 -1.30 0.00 0.00 177.93 175.38 1xsc n GLU 115 N -4.17 0.27 -4.40 5.26 2.13 -1.26 -4.68 120.64 113.79 1xsc n GLU 115 Ca 0.00 0.08 -0.34 0.00 0.66 0.00 0.00 57.16 57.56 1xsc n GLU 115 Cb 0.36 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.44 1xsc n GLU 115 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1xsc s HIS 116 N -2.64 2.95 -0.09 4.31 3.76 -0.84 -3.71 115.29 119.04 1xsc s HIS 116 Ca 0.20 -0.51 0.21 0.00 -0.15 0.00 0.00 55.06 54.80 1xsc s HIS 116 Cb 0.15 -1.96 -0.30 0.00 1.11 0.00 0.00 32.58 31.59 1xsc s HIS 116 CO 0.36 -0.19 0.38 0.00 -0.85 0.00 0.00 174.74 174.44 1xsc n GLN 117 N 3.80 0.67 -3.32 1.40 -0.00 -1.23 -4.54 117.38 114.15 1xsc n GLN 117 Ca -0.18 -0.12 -0.02 0.00 -0.00 0.00 0.00 57.00 56.68 1xsc n GLN 117 Cb 0.52 -1.54 0.02 0.00 -0.00 0.00 0.00 30.24 29.24 1xsc n GLN 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xsc n ALA 118 N -2.41 -2.14 -2.81 2.61 0.00 -1.26 -5.01 120.51 109.49 1xsc n ALA 118 Ca -0.13 -0.77 -0.10 0.00 0.00 0.00 0.00 53.44 52.44 1xsc n ALA 118 Cb 0.76 0.41 -0.07 0.00 0.00 0.00 0.00 19.45 20.54 1xsc n ALA 118 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1xsc s TYR 119 N -2.94 0.63 0.04 0.00 1.13 -1.26 0.58 117.35 115.54 1xsc s TYR 119 Ca 0.18 -0.95 -0.19 0.00 -1.41 0.00 0.00 57.07 54.70 1xsc s TYR 119 Cb -0.02 -0.09 0.04 0.00 -1.10 0.00 0.00 41.96 40.79 1xsc s TYR 119 CO 0.04 -0.85 0.44 1.03 -2.51 0.00 0.00 175.55 173.70 1xsc s ARG 120 N -4.06 0.95 -0.29 -3.49 0.52 0.46 -4.93 118.95 108.11 1xsc s ARG 120 Ca 0.27 -0.33 0.03 0.00 -0.52 0.00 0.00 55.73 55.18 1xsc s ARG 120 Cb 0.02 0.42 0.07 0.00 0.52 0.00 0.00 34.95 35.99 1xsc s ARG 120 CO 0.09 -0.33 -0.05 -1.58 0.02 0.00 0.00 175.30 173.45 1xsc s TRP 121 N -2.47 3.41 0.22 -0.53 0.52 -1.26 -0.77 118.94 118.07 1xsc s TRP 121 Ca -0.05 -2.47 0.00 0.00 0.02 0.00 0.00 56.10 53.60 1xsc s TRP 121 Cb -0.01 -2.25 -0.05 0.00 -1.15 0.00 0.00 33.47 30.02 1xsc s TRP 121 CO -0.02 -0.89 0.10 -0.51 0.02 0.00 0.00 176.95 175.65 1xsc s LEU 122 N 1.06 1.46 0.00 2.99 1.02 -1.04 -4.80 118.68 119.38 1xsc s LEU 122 Ca -0.03 -1.36 0.00 0.00 0.02 0.00 0.00 54.13 52.76 1xsc s LEU 122 Cb -0.20 0.19 0.00 0.00 0.02 0.00 0.00 46.19 46.21 1xsc s LEU 122 CO -0.05 -0.77 0.00 0.61 0.02 0.00 0.00 176.35 176.16 1xsc n GLY 123 N -0.34 -1.25 0.16 -3.19 0.00 -1.26 0.42 105.19 99.73 1xsc n GLY 123 Ca 0.00 -1.34 -0.19 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.23 0.99 5.85 -1.90 -1.31 115.31 119.38 1xsc h LEU 124 Ca 0.00 -0.79 -0.01 0.00 0.84 0.00 0.00 57.88 57.91 1xsc h LEU 124 Cb 0.00 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1xsc h LEU 124 CO 0.00 1.39 0.10 1.05 -0.34 0.00 0.00 178.44 180.64 1xsc h GLU 125 N 0.04 0.34 -0.08 1.25 4.11 -1.97 0.17 114.58 118.45 1xsc h GLU 125 Ca -0.12 -0.06 -0.23 0.00 0.07 0.00 0.00 59.36 59.02 1xsc h GLU 125 Cb 1.56 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.76 1xsc h GLU 125 CO 0.17 0.39 -0.88 0.93 0.07 0.00 0.00 179.01 179.68 1xsc h GLU 126 N 0.22 0.67 0.00 1.06 3.07 -1.91 0.55 114.58 118.25 1xsc h GLU 126 Ca 0.08 -0.62 -0.04 0.00 -0.50 0.00 0.00 59.36 58.27 1xsc h GLU 126 Cb 0.17 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1xsc h GLU 126 CO -0.01 1.23 -0.20 0.00 -1.40 0.00 0.00 179.01 178.63 1xsc h ALA 127 N 0.58 1.61 0.13 3.43 0.00 -1.17 -1.72 119.26 122.12 1xsc h ALA 127 Ca -0.08 -0.19 -0.31 0.00 0.00 0.00 0.00 54.91 54.33 1xsc h ALA 127 Cb 1.51 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1xsc h ALA 127 CO 0.17 0.26 -1.54 0.00 0.00 0.00 0.00 179.25 178.14 1xsc h GLN 129 N 0.08 0.67 -0.00 0.00 -0.00 0.67 -2.56 115.11 113.96 1xsc h GLN 129 Ca -0.25 -0.04 -0.26 0.00 -0.00 0.00 0.00 58.65 58.10 1xsc h GLN 129 Cb 2.03 -0.15 0.02 0.00 -0.00 0.00 0.00 27.48 29.38 1xsc h GLN 129 CO 0.17 0.44 -1.03 -0.07 -0.00 0.00 0.00 178.83 178.34 1xsc h LEU 130 N 0.69 0.89 -4.31 0.06 3.38 -1.46 -3.25 115.31 111.31 1xsc h LEU 130 Ca 0.21 -0.71 -0.30 0.00 0.09 0.00 0.00 57.88 57.17 1xsc h LEU 130 Cb -0.03 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 1xsc h LEU 130 CO -0.07 1.51 0.71 0.00 0.09 0.00 0.00 178.44 180.68 1xsc n ALA 131 N -2.64 6.38 -0.59 1.53 0.00 -0.84 -3.43 120.51 120.92 1xsc n ALA 131 Ca -0.11 -2.15 0.45 0.00 0.00 0.00 0.00 53.44 51.64 1xsc n ALA 131 Cb 0.88 -2.58 0.71 0.00 0.00 0.00 0.00 19.45 18.46 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 2.82 -0.01 -1.83 0.00 0.00 -1.14 -4.19 117.38 113.04 1xsc n GLN 132 Ca 0.49 1.02 -0.42 0.00 0.00 0.00 0.00 57.00 58.09 1xsc n GLN 132 Cb 0.70 -2.25 -0.03 0.00 0.00 0.00 0.00 30.24 28.66 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 -4.78 1.77 0.18 2.61 0.40 -1.26 -4.89 117.98 112.00 1xsc s PHE 133 Ca -0.05 -0.08 -0.22 0.00 -0.60 0.00 0.00 56.93 55.98 1xsc s PHE 133 Cb 0.25 -4.09 0.10 0.00 0.51 0.00 0.00 43.02 39.79 1xsc s PHE 133 CO 0.79 -4.68 1.59 -0.22 0.70 0.00 0.00 175.22 173.40 1xsc h LYS 134 N 9.70 -0.18 -0.90 0.44 3.64 -1.96 -1.77 116.57 125.54 1xsc h LYS 134 Ca -0.45 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.08 1xsc h LYS 134 Cb 1.21 0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 32.93 1xsc h LYS 134 CO 0.94 -0.12 -0.41 0.93 -2.27 0.00 0.00 179.45 178.52 1xsc h GLU 135 N -0.19 -0.04 -0.07 1.90 3.07 -1.90 1.05 114.58 118.39 1xsc h GLU 135 Ca 0.21 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.04 1xsc h GLU 135 Cb 0.55 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1xsc h GLU 135 CO -0.64 -0.03 -0.12 0.52 -1.40 0.00 0.00 179.01 177.35 1xsc h MET 136 N -0.04 0.11 -0.73 2.33 2.86 -1.62 -1.29 114.93 116.55 1xsc h MET 136 Ca 0.30 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.97 1xsc h MET 136 Cb 0.57 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.17 1xsc h MET 136 CO -0.91 0.24 0.48 0.87 1.06 0.00 0.00 176.91 178.64 1xsc h LYS 137 N 0.11 0.79 0.02 1.72 6.56 0.18 -1.04 116.57 124.91 1xsc h LYS 137 Ca 0.02 -0.05 -0.09 0.00 -1.06 0.00 0.00 60.65 59.48 1xsc h LYS 137 Cb 0.28 -0.18 0.01 0.00 -0.57 0.00 0.00 32.23 31.77 1xsc h LYS 137 CO 0.02 0.52 -0.36 0.00 -2.06 0.00 0.00 179.45 177.58 1xsc h ALA 138 N 1.59 0.01 -0.41 3.86 0.00 -0.26 -0.34 119.26 123.71 1xsc h ALA 138 Ca 0.31 -0.52 0.09 0.00 0.00 0.00 0.00 54.91 54.78 1xsc h ALA 138 Cb 0.17 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 1xsc h ALA 138 CO -0.10 0.16 -0.15 0.00 0.00 0.00 0.00 179.25 179.16 1xsc h ALA 139 N 0.21 0.20 -0.05 0.00 0.00 -0.90 0.32 119.26 119.03 1xsc h ALA 139 Ca -0.05 0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1xsc h ALA 139 Cb 1.15 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1xsc h ALA 139 CO 0.07 -0.50 -0.61 -0.07 0.00 0.00 0.00 179.25 178.13 1xsc h LEU 140 N -0.06 0.20 0.15 0.00 3.38 -1.31 -2.31 115.31 115.35 1xsc h LEU 140 Ca 0.20 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1xsc h LEU 140 Cb 0.37 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1xsc h LEU 140 CO -0.46 0.76 -0.11 1.56 0.09 0.00 0.00 178.44 180.28 1xsc h GLN 141 N 0.13 -0.25 0.00 1.13 1.08 0.96 -2.17 115.11 115.98 1xsc h GLN 141 Ca -0.01 0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 1xsc h GLN 141 Cb 1.11 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.59 1xsc h GLN 141 CO 0.09 -0.17 -0.36 0.93 -0.95 0.00 0.00 178.83 178.37 1xsc h GLU 142 N -0.26 0.00 -0.36 1.46 5.08 -0.52 -1.60 114.58 118.38 1xsc h GLU 142 Ca -0.01 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1xsc h GLU 142 Cb 0.23 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1xsc h GLU 142 CO -0.00 0.36 0.03 0.78 -1.00 0.00 0.00 179.01 179.18 1xsc h GLY 143 N 1.55 0.38 1.74 -3.84 0.00 -0.80 0.85 103.07 102.95 1xsc h GLY 143 Ca -0.00 0.01 -0.25 0.00 0.00 0.00 0.00 47.33 47.09 1xsc h GLY 143 CO 0.05 -0.06 -1.18 0.45 0.00 0.00 0.00 176.54 175.80 1xsc h HIS 144 N 0.14 0.26 0.19 5.60 3.86 -1.41 -2.91 115.15 120.88 1xsc h HIS 144 Ca 0.17 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1xsc h HIS 144 Cb 0.22 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1xsc h HIS 144 CO -0.22 1.16 -0.09 0.37 0.86 0.00 0.00 177.93 180.01 1xsc h GLN 145 N 0.04 -0.24 0.33 2.45 5.75 -0.82 -0.76 115.11 121.86 1xsc h GLN 145 Ca -0.09 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 1xsc h GLN 145 Cb 1.89 0.06 0.00 0.00 1.07 0.00 0.00 27.48 30.50 1xsc h GLN 145 CO 0.16 0.06 -0.16 0.35 -2.65 0.00 0.00 178.83 176.60 1xsc h PHE 146 N -0.55 -0.41 -0.24 3.99 3.04 0.60 -2.51 116.94 120.86 1xsc h PHE 146 Ca -0.03 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 61.98 1xsc h PHE 146 Cb 0.41 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 1xsc h PHE 146 CO 0.02 -0.20 0.17 -0.07 -2.02 0.00 0.00 178.31 176.21 1xsc h LEU 147 N -0.52 0.00 -1.17 0.59 3.38 -1.58 0.13 115.31 116.15 1xsc h LEU 147 Ca -0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1xsc h LEU 147 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1xsc h LEU 147 CO 0.07 0.00 -0.24 0.00 0.09 0.00 0.00 178.44 178.36 1xsc n SER 149 N -3.45 0.50 0.00 0.00 2.88 0.44 -4.81 113.62 109.19 1xsc n SER 149 Ca -0.00 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1xsc n SER 149 Cb 0.42 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 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 -1.77 0.00 0.08 2.46 5.41 -0.98 -5.11 119.36 119.46 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 0.38 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.31 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 -3.15 0.38 2.13 -1.26 -5.09 120.64 113.65 1xsc n GLU 151 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 1xsc n GLU 151 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 1xsc n GLU 151 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xsc s ALA 152 N -1.69 -3.17 0.00 4.31 0.00 -1.26 -5.07 121.76 114.88 1xsc s ALA 152 Ca 0.00 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1xsc s ALA 152 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1xsc s ALA 152 CO 0.00 -1.47 0.31 -0.11 0.00 0.00 0.00 175.76 174.49